USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 764 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 1 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.29) USER MOD Single : A 1 HIS N :NH3+ -153:sc= 0 (180deg=-0.975!) USER MOD Single : A 2 MET CE :methyl 164:sc= -0.945 (180deg=-2.13!) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -1.36 F(o=-2.5,f=-1.4) USER MOD Single : A 6 GLN : amide:sc= 0.0213 K(o=0.021,f=-0.75) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.091) USER MOD Single : A 18 TYR OH : rot -61:sc= -9.14! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -1.04! F(o=-1.6,f=-1!) USER MOD Single : A 26 GLN : amide:sc= -0.372 K(o=-0.37,f=-3.5!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 111:sc= -0.994 USER MOD Single : B 1 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.35) USER MOD Single : B 1 HIS N :NH3+ -153:sc= 0 (180deg=-1!) USER MOD Single : B 2 MET CE :methyl 163:sc= -0.978 (180deg=-2.09!) USER MOD Single : B 4 HIS :FLIP no HD1:sc= -1.5 F(o=-2.6,f=-1.5) USER MOD Single : B 6 GLN : amide:sc= 0.0843 K(o=0.084,f=-0.79) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.089) USER MOD Single : B 18 TYR OH : rot -63:sc= -8.88! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.4!) USER MOD Single : B 26 GLN : amide:sc= -0.43 K(o=-0.43,f=-3.3!) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 118:sc= -1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -7.362 4.059 -2.719 1.00 10.00 N ATOM 2 CA HIS A 1 -8.070 3.174 -1.751 1.00 10.00 C ATOM 3 C HIS A 1 -9.054 3.992 -0.913 1.00 10.00 C ATOM 4 O HIS A 1 -10.235 3.708 -0.871 1.00 10.00 O ATOM 5 CB HIS A 1 -6.967 2.593 -0.865 1.00 10.00 C ATOM 6 CG HIS A 1 -5.854 2.065 -1.729 1.00 10.00 C ATOM 7 ND1 HIS A 1 -4.589 2.635 -1.733 1.00 10.00 N ATOM 8 CD2 HIS A 1 -5.799 1.023 -2.620 1.00 10.00 C ATOM 9 CE1 HIS A 1 -3.835 1.937 -2.602 1.00 10.00 C ATOM 10 NE2 HIS A 1 -4.523 0.943 -3.171 1.00 10.00 N ATOM 0 H1 HIS A 1 -7.070 3.503 -3.548 1.00 10.00 H new ATOM 0 H2 HIS A 1 -8.000 4.823 -3.022 1.00 10.00 H new ATOM 0 H3 HIS A 1 -6.522 4.470 -2.264 1.00 10.00 H new ATOM 0 HA HIS A 1 -8.646 2.394 -2.249 1.00 10.00 H new ATOM 0 HB2 HIS A 1 -6.586 3.360 -0.191 1.00 10.00 H new ATOM 0 HB3 HIS A 1 -7.369 1.793 -0.243 1.00 10.00 H new ATOM 0 HD2 HIS A 1 -6.621 0.364 -2.858 1.00 10.00 H new ATOM 0 HE1 HIS A 1 -2.799 2.154 -2.814 1.00 10.00 H new ATOM 0 HE2 HIS A 1 -4.186 0.271 -3.860 1.00 10.00 H new ATOM 20 N MET A 2 -8.578 5.004 -0.242 1.00 10.00 N ATOM 21 CA MET A 2 -9.490 5.835 0.596 1.00 10.00 C ATOM 22 C MET A 2 -9.011 7.292 0.639 1.00 10.00 C ATOM 23 O MET A 2 -9.729 8.176 1.062 1.00 10.00 O ATOM 24 CB MET A 2 -9.422 5.203 1.988 1.00 10.00 C ATOM 25 CG MET A 2 -9.893 6.211 3.038 1.00 10.00 C ATOM 26 SD MET A 2 -10.317 5.339 4.569 1.00 10.00 S ATOM 27 CE MET A 2 -9.045 4.056 4.466 1.00 10.00 C ATOM 0 H MET A 2 -7.599 5.292 -0.237 1.00 10.00 H new ATOM 0 HA MET A 2 -10.506 5.857 0.202 1.00 10.00 H new ATOM 0 HB2 MET A 2 -10.046 4.310 2.023 1.00 10.00 H new ATOM 0 HB3 MET A 2 -8.401 4.888 2.205 1.00 10.00 H new ATOM 0 HG2 MET A 2 -9.110 6.944 3.230 1.00 10.00 H new ATOM 0 HG3 MET A 2 -10.759 6.759 2.668 1.00 10.00 H new ATOM 0 HE1 MET A 2 -8.933 3.575 5.438 1.00 10.00 H new ATOM 0 HE2 MET A 2 -9.338 3.312 3.725 1.00 10.00 H new ATOM 0 HE3 MET A 2 -8.097 4.507 4.173 1.00 10.00 H new ATOM 37 N GLY A 3 -7.807 7.553 0.204 1.00 10.00 N ATOM 38 CA GLY A 3 -7.296 8.953 0.225 1.00 10.00 C ATOM 39 C GLY A 3 -5.788 8.945 0.481 1.00 10.00 C ATOM 40 O GLY A 3 -5.247 8.010 1.037 1.00 10.00 O ATOM 0 H GLY A 3 -7.157 6.858 -0.164 1.00 10.00 H new ATOM 0 HA2 GLY A 3 -7.511 9.444 -0.724 1.00 10.00 H new ATOM 0 HA3 GLY A 3 -7.804 9.525 1.002 1.00 10.00 H new ATOM 44 N HIS A 4 -5.103 9.981 0.079 1.00 10.00 N ATOM 45 CA HIS A 4 -3.630 10.033 0.299 1.00 10.00 C ATOM 46 C HIS A 4 -3.131 11.476 0.184 1.00 10.00 C ATOM 47 O HIS A 4 -2.653 11.898 -0.850 1.00 10.00 O ATOM 48 CB HIS A 4 -3.032 9.168 -0.811 1.00 10.00 C ATOM 49 CG HIS A 4 -2.738 7.794 -0.272 1.00 10.00 C ATOM 50 ND1 HIS A 4 -2.618 7.318 1.010 1.00 10.00 N flip ATOM 51 CD2 HIS A 4 -2.528 6.704 -1.102 1.00 10.00 C flip ATOM 52 CE1 HIS A 4 -2.336 5.955 0.978 1.00 10.00 C flip ATOM 53 NE2 HIS A 4 -2.293 5.636 -0.318 1.00 10.00 N flip ATOM 0 H HIS A 4 -5.500 10.794 -0.392 1.00 10.00 H new ATOM 0 HA HIS A 4 -3.347 9.676 1.289 1.00 10.00 H new ATOM 0 HB2 HIS A 4 -3.726 9.101 -1.649 1.00 10.00 H new ATOM 0 HB3 HIS A 4 -2.118 9.625 -1.190 1.00 10.00 H new ATOM 0 HD2 HIS A 4 -2.549 6.711 -2.182 1.00 10.00 H new ATOM 0 HE1 HIS A 4 -2.184 5.297 1.821 1.00 10.00 H new ATOM 0 HE2 HIS A 4 -2.105 4.697 -0.671 1.00 10.00 H new ATOM 61 N ILE A 5 -3.240 12.238 1.238 1.00 10.00 N ATOM 62 CA ILE A 5 -2.775 13.654 1.186 1.00 10.00 C ATOM 63 C ILE A 5 -1.674 13.885 2.228 1.00 10.00 C ATOM 64 O ILE A 5 -1.741 14.796 3.030 1.00 10.00 O ATOM 65 CB ILE A 5 -4.025 14.486 1.494 1.00 10.00 C ATOM 66 CG1 ILE A 5 -3.869 15.891 0.901 1.00 10.00 C ATOM 67 CG2 ILE A 5 -4.230 14.587 3.009 1.00 10.00 C ATOM 68 CD1 ILE A 5 -2.623 16.566 1.477 1.00 10.00 C ATOM 0 H ILE A 5 -3.631 11.942 2.132 1.00 10.00 H new ATOM 0 HA ILE A 5 -2.344 13.924 0.222 1.00 10.00 H new ATOM 0 HB ILE A 5 -4.893 13.999 1.050 1.00 10.00 H new ATOM 0 HG12 ILE A 5 -3.791 15.830 -0.184 1.00 10.00 H new ATOM 0 HG13 ILE A 5 -4.753 16.489 1.124 1.00 10.00 H new ATOM 0 HG21 ILE A 5 -5.121 15.180 3.217 1.00 10.00 H new ATOM 0 HG22 ILE A 5 -4.354 13.588 3.427 1.00 10.00 H new ATOM 0 HG23 ILE A 5 -3.362 15.065 3.463 1.00 10.00 H new ATOM 0 HD11 ILE A 5 -2.520 17.564 1.050 1.00 10.00 H new ATOM 0 HD12 ILE A 5 -2.718 16.643 2.560 1.00 10.00 H new ATOM 0 HD13 ILE A 5 -1.742 15.973 1.231 1.00 10.00 H new ATOM 80 N GLN A 6 -0.657 13.067 2.220 1.00 10.00 N ATOM 81 CA GLN A 6 0.447 13.240 3.208 1.00 10.00 C ATOM 82 C GLN A 6 1.641 12.364 2.827 1.00 10.00 C ATOM 83 O GLN A 6 2.320 11.819 3.675 1.00 10.00 O ATOM 84 CB GLN A 6 -0.144 12.794 4.545 1.00 10.00 C ATOM 85 CG GLN A 6 -0.668 11.362 4.420 1.00 10.00 C ATOM 86 CD GLN A 6 0.024 10.474 5.457 1.00 10.00 C ATOM 87 OE1 GLN A 6 -0.593 9.600 6.033 1.00 10.00 O ATOM 88 NE2 GLN A 6 1.288 10.664 5.721 1.00 10.00 N ATOM 0 H GLN A 6 -0.542 12.287 1.573 1.00 10.00 H new ATOM 0 HA GLN A 6 0.809 14.267 3.246 1.00 10.00 H new ATOM 0 HB2 GLN A 6 0.615 12.848 5.326 1.00 10.00 H new ATOM 0 HB3 GLN A 6 -0.952 13.464 4.839 1.00 10.00 H new ATOM 0 HG2 GLN A 6 -1.747 11.344 4.572 1.00 10.00 H new ATOM 0 HG3 GLN A 6 -0.481 10.981 3.416 1.00 10.00 H new ATOM 0 HE21 GLN A 6 1.805 11.398 5.237 1.00 10.00 H new ATOM 0 HE22 GLN A 6 1.758 10.079 6.411 1.00 10.00 H new ATOM 97 N ILE A 7 1.903 12.225 1.558 1.00 10.00 N ATOM 98 CA ILE A 7 3.054 11.384 1.118 1.00 10.00 C ATOM 99 C ILE A 7 3.562 11.858 -0.248 1.00 10.00 C ATOM 100 O ILE A 7 2.833 11.840 -1.221 1.00 10.00 O ATOM 101 CB ILE A 7 2.498 9.963 1.017 1.00 10.00 C ATOM 102 CG1 ILE A 7 2.179 9.432 2.419 1.00 10.00 C ATOM 103 CG2 ILE A 7 3.536 9.056 0.355 1.00 10.00 C ATOM 104 CD1 ILE A 7 3.457 9.404 3.260 1.00 10.00 C ATOM 0 H ILE A 7 1.370 12.658 0.804 1.00 10.00 H new ATOM 0 HA ILE A 7 3.894 11.443 1.810 1.00 10.00 H new ATOM 0 HB ILE A 7 1.587 9.974 0.419 1.00 10.00 H new ATOM 0 HG12 ILE A 7 1.431 10.064 2.897 1.00 10.00 H new ATOM 0 HG13 ILE A 7 1.754 8.431 2.352 1.00 10.00 H new ATOM 0 HG21 ILE A 7 3.141 8.043 0.283 1.00 10.00 H new ATOM 0 HG22 ILE A 7 3.762 9.430 -0.644 1.00 10.00 H new ATOM 0 HG23 ILE A 7 4.447 9.048 0.954 1.00 10.00 H new ATOM 0 HD11 ILE A 7 3.229 9.026 4.257 1.00 10.00 H new ATOM 0 HD12 ILE A 7 4.191 8.753 2.785 1.00 10.00 H new ATOM 0 HD13 ILE A 7 3.863 10.412 3.339 1.00 10.00 H new ATOM 116 N PRO A 8 4.801 12.268 -0.271 1.00 10.00 N ATOM 117 CA PRO A 8 5.421 12.753 -1.528 1.00 10.00 C ATOM 118 C PRO A 8 5.670 11.591 -2.493 1.00 10.00 C ATOM 119 O PRO A 8 5.858 10.466 -2.075 1.00 10.00 O ATOM 120 CB PRO A 8 6.736 13.368 -1.068 1.00 10.00 C ATOM 121 CG PRO A 8 7.047 12.677 0.211 1.00 10.00 C ATOM 122 CD PRO A 8 5.734 12.319 0.855 1.00 10.00 C ATOM 0 HA PRO A 8 4.790 13.460 -2.066 1.00 10.00 H new ATOM 0 HB2 PRO A 8 7.525 13.213 -1.804 1.00 10.00 H new ATOM 0 HB3 PRO A 8 6.641 14.444 -0.924 1.00 10.00 H new ATOM 0 HG2 PRO A 8 7.643 11.783 0.030 1.00 10.00 H new ATOM 0 HG3 PRO A 8 7.633 13.323 0.865 1.00 10.00 H new ATOM 0 HD2 PRO A 8 5.790 11.362 1.373 1.00 10.00 H new ATOM 0 HD3 PRO A 8 5.433 13.063 1.592 1.00 10.00 H new ATOM 130 N PRO A 9 5.661 11.907 -3.758 1.00 10.00 N ATOM 131 CA PRO A 9 5.889 10.879 -4.801 1.00 10.00 C ATOM 132 C PRO A 9 7.366 10.479 -4.844 1.00 10.00 C ATOM 133 O PRO A 9 8.139 10.827 -3.973 1.00 10.00 O ATOM 134 CB PRO A 9 5.480 11.584 -6.091 1.00 10.00 C ATOM 135 CG PRO A 9 5.651 13.043 -5.810 1.00 10.00 C ATOM 136 CD PRO A 9 5.439 13.239 -4.331 1.00 10.00 C ATOM 0 HA PRO A 9 5.331 9.959 -4.626 1.00 10.00 H new ATOM 0 HB2 PRO A 9 6.103 11.268 -6.927 1.00 10.00 H new ATOM 0 HB3 PRO A 9 4.449 11.352 -6.357 1.00 10.00 H new ATOM 0 HG2 PRO A 9 6.646 13.377 -6.104 1.00 10.00 H new ATOM 0 HG3 PRO A 9 4.935 13.632 -6.383 1.00 10.00 H new ATOM 0 HD2 PRO A 9 6.136 13.970 -3.922 1.00 10.00 H new ATOM 0 HD3 PRO A 9 4.434 13.602 -4.117 1.00 10.00 H new ATOM 144 N GLY A 10 7.764 9.749 -5.848 1.00 10.00 N ATOM 145 CA GLY A 10 9.189 9.328 -5.944 1.00 10.00 C ATOM 146 C GLY A 10 9.405 8.065 -5.108 1.00 10.00 C ATOM 147 O GLY A 10 10.037 7.123 -5.542 1.00 10.00 O ATOM 0 H GLY A 10 7.164 9.426 -6.607 1.00 10.00 H new ATOM 0 HA2 GLY A 10 9.454 9.138 -6.984 1.00 10.00 H new ATOM 0 HA3 GLY A 10 9.840 10.127 -5.590 1.00 10.00 H new ATOM 151 N LEU A 11 8.881 8.035 -3.913 1.00 10.00 N ATOM 152 CA LEU A 11 9.055 6.828 -3.053 1.00 10.00 C ATOM 153 C LEU A 11 8.196 5.678 -3.584 1.00 10.00 C ATOM 154 O LEU A 11 8.507 4.519 -3.395 1.00 10.00 O ATOM 155 CB LEU A 11 8.575 7.256 -1.663 1.00 10.00 C ATOM 156 CG LEU A 11 9.366 6.510 -0.582 1.00 10.00 C ATOM 157 CD1 LEU A 11 9.655 5.078 -1.040 1.00 10.00 C ATOM 158 CD2 LEU A 11 10.685 7.240 -0.327 1.00 10.00 C ATOM 0 H LEU A 11 8.341 8.792 -3.495 1.00 10.00 H new ATOM 0 HA LEU A 11 10.087 6.477 -3.037 1.00 10.00 H new ATOM 0 HB2 LEU A 11 8.702 8.332 -1.541 1.00 10.00 H new ATOM 0 HB3 LEU A 11 7.511 7.046 -1.556 1.00 10.00 H new ATOM 0 HG LEU A 11 8.779 6.479 0.336 1.00 10.00 H new ATOM 0 HD11 LEU A 11 10.217 4.555 -0.266 1.00 10.00 H new ATOM 0 HD12 LEU A 11 8.715 4.557 -1.220 1.00 10.00 H new ATOM 0 HD13 LEU A 11 10.239 5.101 -1.960 1.00 10.00 H new ATOM 0 HD21 LEU A 11 11.250 6.712 0.441 1.00 10.00 H new ATOM 0 HD22 LEU A 11 11.267 7.272 -1.248 1.00 10.00 H new ATOM 0 HD23 LEU A 11 10.479 8.257 0.008 1.00 10.00 H new ATOM 170 N THR A 12 7.116 5.991 -4.245 1.00 10.00 N ATOM 171 CA THR A 12 6.236 4.915 -4.785 1.00 10.00 C ATOM 172 C THR A 12 6.938 4.180 -5.930 1.00 10.00 C ATOM 173 O THR A 12 6.655 3.032 -6.208 1.00 10.00 O ATOM 174 CB THR A 12 4.990 5.641 -5.297 1.00 10.00 C ATOM 175 OG1 THR A 12 4.183 6.029 -4.194 1.00 10.00 O ATOM 176 CG2 THR A 12 4.193 4.711 -6.213 1.00 10.00 C ATOM 0 H THR A 12 6.804 6.944 -4.435 1.00 10.00 H new ATOM 0 HA THR A 12 5.991 4.166 -4.032 1.00 10.00 H new ATOM 0 HB THR A 12 5.291 6.526 -5.857 1.00 10.00 H new ATOM 0 HG1 THR A 12 3.385 6.496 -4.520 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.306 5.230 -6.576 1.00 10.00 H new ATOM 0 HG22 THR A 12 4.813 4.415 -7.060 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.891 3.823 -5.657 1.00 10.00 H new ATOM 184 N GLU A 13 7.851 4.832 -6.595 1.00 10.00 N ATOM 185 CA GLU A 13 8.570 4.171 -7.722 1.00 10.00 C ATOM 186 C GLU A 13 9.610 3.184 -7.183 1.00 10.00 C ATOM 187 O GLU A 13 9.751 2.084 -7.679 1.00 10.00 O ATOM 188 CB GLU A 13 9.255 5.311 -8.477 1.00 10.00 C ATOM 189 CG GLU A 13 9.744 4.802 -9.835 1.00 10.00 C ATOM 190 CD GLU A 13 9.701 5.943 -10.852 1.00 10.00 C ATOM 191 OE1 GLU A 13 8.611 6.400 -11.153 1.00 10.00 O ATOM 192 OE2 GLU A 13 10.758 6.340 -11.313 1.00 10.00 O ATOM 0 H GLU A 13 8.131 5.795 -6.407 1.00 10.00 H new ATOM 0 HA GLU A 13 7.897 3.602 -8.363 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.560 6.139 -8.616 1.00 10.00 H new ATOM 0 HB3 GLU A 13 10.094 5.693 -7.896 1.00 10.00 H new ATOM 0 HG2 GLU A 13 10.760 4.417 -9.747 1.00 10.00 H new ATOM 0 HG3 GLU A 13 9.118 3.976 -10.173 1.00 10.00 H new ATOM 199 N LEU A 14 10.339 3.570 -6.172 1.00 10.00 N ATOM 200 CA LEU A 14 11.371 2.656 -5.602 1.00 10.00 C ATOM 201 C LEU A 14 10.713 1.390 -5.045 1.00 10.00 C ATOM 202 O LEU A 14 11.169 0.289 -5.275 1.00 10.00 O ATOM 203 CB LEU A 14 12.029 3.456 -4.478 1.00 10.00 C ATOM 204 CG LEU A 14 13.321 4.096 -4.991 1.00 10.00 C ATOM 205 CD1 LEU A 14 13.056 4.781 -6.332 1.00 10.00 C ATOM 206 CD2 LEU A 14 13.809 5.133 -3.977 1.00 10.00 C ATOM 0 H LEU A 14 10.265 4.479 -5.715 1.00 10.00 H new ATOM 0 HA LEU A 14 12.093 2.332 -6.351 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.347 4.227 -4.119 1.00 10.00 H new ATOM 0 HB3 LEU A 14 12.246 2.803 -3.632 1.00 10.00 H new ATOM 0 HG LEU A 14 14.081 3.326 -5.122 1.00 10.00 H new ATOM 0 HD11 LEU A 14 13.977 5.236 -6.696 1.00 10.00 H new ATOM 0 HD12 LEU A 14 12.705 4.044 -7.054 1.00 10.00 H new ATOM 0 HD13 LEU A 14 12.296 5.552 -6.203 1.00 10.00 H new ATOM 0 HD21 LEU A 14 14.729 5.591 -4.339 1.00 10.00 H new ATOM 0 HD22 LEU A 14 13.047 5.902 -3.848 1.00 10.00 H new ATOM 0 HD23 LEU A 14 13.998 4.646 -3.021 1.00 10.00 H new ATOM 218 N LEU A 15 9.646 1.542 -4.309 1.00 10.00 N ATOM 219 CA LEU A 15 8.961 0.348 -3.733 1.00 10.00 C ATOM 220 C LEU A 15 8.353 -0.512 -4.843 1.00 10.00 C ATOM 221 O LEU A 15 8.699 -1.666 -5.006 1.00 10.00 O ATOM 222 CB LEU A 15 7.864 0.921 -2.834 1.00 10.00 C ATOM 223 CG LEU A 15 8.387 1.040 -1.402 1.00 10.00 C ATOM 224 CD1 LEU A 15 9.795 1.639 -1.418 1.00 10.00 C ATOM 225 CD2 LEU A 15 7.457 1.949 -0.594 1.00 10.00 C ATOM 0 H LEU A 15 9.219 2.440 -4.081 1.00 10.00 H new ATOM 0 HA LEU A 15 9.649 -0.295 -3.184 1.00 10.00 H new ATOM 0 HB2 LEU A 15 7.553 1.899 -3.201 1.00 10.00 H new ATOM 0 HB3 LEU A 15 6.985 0.277 -2.859 1.00 10.00 H new ATOM 0 HG LEU A 15 8.419 0.051 -0.945 1.00 10.00 H new ATOM 0 HD11 LEU A 15 10.166 1.723 -0.397 1.00 10.00 H new ATOM 0 HD12 LEU A 15 10.459 0.993 -1.993 1.00 10.00 H new ATOM 0 HD13 LEU A 15 9.765 2.628 -1.876 1.00 10.00 H new ATOM 0 HD21 LEU A 15 7.829 2.035 0.427 1.00 10.00 H new ATOM 0 HD22 LEU A 15 7.425 2.937 -1.053 1.00 10.00 H new ATOM 0 HD23 LEU A 15 6.454 1.523 -0.580 1.00 10.00 H new ATOM 237 N GLN A 16 7.447 0.038 -5.609 1.00 10.00 N ATOM 238 CA GLN A 16 6.818 -0.753 -6.706 1.00 10.00 C ATOM 239 C GLN A 16 7.860 -1.654 -7.368 1.00 10.00 C ATOM 240 O GLN A 16 7.794 -2.866 -7.281 1.00 10.00 O ATOM 241 CB GLN A 16 6.298 0.286 -7.699 1.00 10.00 C ATOM 242 CG GLN A 16 4.885 -0.096 -8.143 1.00 10.00 C ATOM 243 CD GLN A 16 4.781 0.001 -9.667 1.00 10.00 C ATOM 244 OE1 GLN A 16 4.091 -0.780 -10.290 1.00 10.00 O ATOM 245 NE2 GLN A 16 5.441 0.935 -10.296 1.00 10.00 N ATOM 0 H GLN A 16 7.117 0.999 -5.522 1.00 10.00 H new ATOM 0 HA GLN A 16 6.021 -1.401 -6.343 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.291 1.274 -7.238 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.960 0.342 -8.563 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.652 -1.109 -7.816 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.155 0.565 -7.676 1.00 10.00 H new ATOM 0 HE21 GLN A 16 6.021 1.591 -9.772 1.00 10.00 H new ATOM 0 HE22 GLN A 16 5.377 1.009 -11.311 1.00 10.00 H new ATOM 254 N GLY A 17 8.828 -1.077 -8.025 1.00 10.00 N ATOM 255 CA GLY A 17 9.874 -1.909 -8.682 1.00 10.00 C ATOM 256 C GLY A 17 10.338 -2.988 -7.704 1.00 10.00 C ATOM 257 O GLY A 17 10.448 -4.148 -8.049 1.00 10.00 O ATOM 0 H GLY A 17 8.940 -0.069 -8.135 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.477 -2.367 -9.588 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.716 -1.286 -8.983 1.00 10.00 H new ATOM 261 N TYR A 18 10.606 -2.614 -6.483 1.00 10.00 N ATOM 262 CA TYR A 18 11.059 -3.614 -5.476 1.00 10.00 C ATOM 263 C TYR A 18 10.210 -4.884 -5.574 1.00 10.00 C ATOM 264 O TYR A 18 10.707 -5.955 -5.863 1.00 10.00 O ATOM 265 CB TYR A 18 10.846 -2.933 -4.125 1.00 10.00 C ATOM 266 CG TYR A 18 11.997 -3.266 -3.209 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.311 -3.193 -3.684 1.00 10.00 C ATOM 268 CD2 TYR A 18 11.750 -3.651 -1.886 1.00 10.00 C ATOM 269 CE1 TYR A 18 14.380 -3.503 -2.836 1.00 10.00 C ATOM 270 CE2 TYR A 18 12.818 -3.963 -1.037 1.00 10.00 C ATOM 271 CZ TYR A 18 14.133 -3.890 -1.512 1.00 10.00 C ATOM 272 OH TYR A 18 15.185 -4.199 -0.677 1.00 10.00 O ATOM 0 H TYR A 18 10.531 -1.657 -6.139 1.00 10.00 H new ATOM 0 HA TYR A 18 12.096 -3.913 -5.626 1.00 10.00 H new ATOM 0 HB2 TYR A 18 10.773 -1.854 -4.257 1.00 10.00 H new ATOM 0 HB3 TYR A 18 9.907 -3.265 -3.682 1.00 10.00 H new ATOM 0 HD1 TYR A 18 13.500 -2.897 -4.705 1.00 10.00 H new ATOM 0 HD2 TYR A 18 10.735 -3.707 -1.520 1.00 10.00 H new ATOM 0 HE1 TYR A 18 15.395 -3.444 -3.202 1.00 10.00 H new ATOM 0 HE2 TYR A 18 12.628 -4.260 -0.016 1.00 10.00 H new ATOM 0 HH TYR A 18 15.677 -4.965 -1.040 1.00 10.00 H new ATOM 282 N THR A 19 8.933 -4.771 -5.332 1.00 10.00 N ATOM 283 CA THR A 19 8.049 -5.968 -5.406 1.00 10.00 C ATOM 284 C THR A 19 8.259 -6.696 -6.737 1.00 10.00 C ATOM 285 O THR A 19 8.146 -7.903 -6.820 1.00 10.00 O ATOM 286 CB THR A 19 6.623 -5.410 -5.296 1.00 10.00 C ATOM 287 OG1 THR A 19 5.998 -5.948 -4.140 1.00 10.00 O ATOM 288 CG2 THR A 19 5.807 -5.786 -6.537 1.00 10.00 C ATOM 0 H THR A 19 8.463 -3.900 -5.086 1.00 10.00 H new ATOM 0 HA THR A 19 8.257 -6.694 -4.621 1.00 10.00 H new ATOM 0 HB THR A 19 6.671 -4.324 -5.222 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.088 -5.593 -4.065 1.00 10.00 H new ATOM 0 HG21 THR A 19 4.798 -5.384 -6.445 1.00 10.00 H new ATOM 0 HG22 THR A 19 6.283 -5.371 -7.425 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.758 -6.871 -6.625 1.00 10.00 H new ATOM 296 N VAL A 20 8.562 -5.973 -7.779 1.00 10.00 N ATOM 297 CA VAL A 20 8.776 -6.626 -9.102 1.00 10.00 C ATOM 298 C VAL A 20 10.126 -7.347 -9.129 1.00 10.00 C ATOM 299 O VAL A 20 10.341 -8.253 -9.910 1.00 10.00 O ATOM 300 CB VAL A 20 8.758 -5.482 -10.116 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.719 -6.058 -11.531 1.00 10.00 C ATOM 302 CG2 VAL A 20 7.518 -4.616 -9.883 1.00 10.00 C ATOM 0 H VAL A 20 8.671 -4.959 -7.772 1.00 10.00 H new ATOM 0 HA VAL A 20 8.015 -7.375 -9.318 1.00 10.00 H new ATOM 0 HB VAL A 20 9.654 -4.874 -9.996 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.706 -5.243 -12.255 1.00 10.00 H new ATOM 0 HG12 VAL A 20 9.601 -6.677 -11.696 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.822 -6.665 -11.652 1.00 10.00 H new ATOM 0 HG21 VAL A 20 7.503 -3.800 -10.605 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.622 -5.224 -10.004 1.00 10.00 H new ATOM 0 HG23 VAL A 20 7.545 -4.207 -8.873 1.00 10.00 H new ATOM 312 N GLU A 21 11.039 -6.957 -8.282 1.00 10.00 N ATOM 313 CA GLU A 21 12.372 -7.629 -8.266 1.00 10.00 C ATOM 314 C GLU A 21 12.353 -8.783 -7.266 1.00 10.00 C ATOM 315 O GLU A 21 12.630 -9.918 -7.599 1.00 10.00 O ATOM 316 CB GLU A 21 13.379 -6.568 -7.815 1.00 10.00 C ATOM 317 CG GLU A 21 12.790 -5.176 -8.010 1.00 10.00 C ATOM 318 CD GLU A 21 13.917 -4.168 -8.240 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.950 -4.308 -7.604 1.00 10.00 O ATOM 320 OE2 GLU A 21 13.731 -3.276 -9.050 1.00 10.00 O ATOM 0 H GLU A 21 10.922 -6.205 -7.602 1.00 10.00 H new ATOM 0 HA GLU A 21 12.630 -8.033 -9.245 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.635 -6.720 -6.767 1.00 10.00 H new ATOM 0 HB3 GLU A 21 14.302 -6.665 -8.386 1.00 10.00 H new ATOM 0 HG2 GLU A 21 12.108 -5.175 -8.861 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.207 -4.891 -7.134 1.00 10.00 H new ATOM 327 N VAL A 22 12.030 -8.490 -6.037 1.00 10.00 N ATOM 328 CA VAL A 22 11.990 -9.554 -4.999 1.00 10.00 C ATOM 329 C VAL A 22 11.143 -10.733 -5.484 1.00 10.00 C ATOM 330 O VAL A 22 11.364 -11.865 -5.103 1.00 10.00 O ATOM 331 CB VAL A 22 11.349 -8.893 -3.778 1.00 10.00 C ATOM 332 CG1 VAL A 22 11.625 -9.738 -2.538 1.00 10.00 C ATOM 333 CG2 VAL A 22 11.944 -7.497 -3.577 1.00 10.00 C ATOM 0 H VAL A 22 11.791 -7.555 -5.707 1.00 10.00 H new ATOM 0 HA VAL A 22 12.980 -9.949 -4.772 1.00 10.00 H new ATOM 0 HB VAL A 22 10.274 -8.812 -3.936 1.00 10.00 H new ATOM 0 HG11 VAL A 22 11.168 -9.267 -1.668 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.203 -10.734 -2.675 1.00 10.00 H new ATOM 0 HG13 VAL A 22 12.701 -9.818 -2.384 1.00 10.00 H new ATOM 0 HG21 VAL A 22 11.486 -7.028 -2.706 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.020 -7.579 -3.421 1.00 10.00 H new ATOM 0 HG23 VAL A 22 11.751 -6.889 -4.461 1.00 10.00 H new ATOM 343 N LEU A 23A 10.178 -10.480 -6.324 1.00 10.00 N ATOM 344 CA LEU A 23A 9.325 -11.593 -6.833 1.00 10.00 C ATOM 345 C LEU A 23A 9.945 -12.188 -8.100 1.00 10.00 C ATOM 346 O LEU A 23A 9.847 -13.371 -8.356 1.00 10.00 O ATOM 347 CB LEU A 23A 7.973 -10.952 -7.146 1.00 10.00 C ATOM 348 CG LEU A 23A 7.012 -11.186 -5.979 1.00 10.00 C ATOM 349 CD1 LEU A 23A 5.913 -10.121 -6.000 1.00 10.00 C ATOM 350 CD2 LEU A 23A 6.377 -12.571 -6.111 1.00 10.00 C ATOM 0 H LEU A 23A 9.943 -9.554 -6.680 1.00 10.00 H new ATOM 0 HA LEU A 23A 9.229 -12.404 -6.111 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 8.097 -9.883 -7.319 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 7.561 -11.377 -8.061 1.00 10.00 H new ATOM 0 HG LEU A 23A 7.562 -11.124 -5.040 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 5.228 -10.288 -5.168 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 6.363 -9.132 -5.907 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 5.364 -10.183 -6.940 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 5.692 -12.738 -5.280 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 5.828 -12.632 -7.051 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 7.157 -13.332 -6.097 1.00 10.00 H new ATOM 362 N ARG A 24 10.581 -11.373 -8.897 1.00 10.00 N ATOM 363 CA ARG A 24 11.207 -11.888 -10.147 1.00 10.00 C ATOM 364 C ARG A 24 12.468 -12.693 -9.816 1.00 10.00 C ATOM 365 O ARG A 24 12.513 -13.895 -9.984 1.00 10.00 O ATOM 366 CB ARG A 24 11.565 -10.636 -10.949 1.00 10.00 C ATOM 367 CG ARG A 24 12.074 -11.043 -12.333 1.00 10.00 C ATOM 368 CD ARG A 24 11.018 -10.700 -13.385 1.00 10.00 C ATOM 369 NE ARG A 24 11.622 -11.114 -14.682 1.00 10.00 N ATOM 370 CZ ARG A 24 12.389 -10.286 -15.336 1.00 10.00 C ATOM 371 NH1 ARG A 24 13.616 -10.084 -14.942 1.00 10.00 N ATOM 372 NH2 ARG A 24 11.926 -9.659 -16.383 1.00 10.00 N ATOM 0 H ARG A 24 10.694 -10.372 -8.736 1.00 10.00 H new ATOM 0 HA ARG A 24 10.544 -12.553 -10.700 1.00 10.00 H new ATOM 0 HB2 ARG A 24 10.691 -9.992 -11.046 1.00 10.00 H new ATOM 0 HB3 ARG A 24 12.328 -10.061 -10.424 1.00 10.00 H new ATOM 0 HG2 ARG A 24 13.007 -10.525 -12.556 1.00 10.00 H new ATOM 0 HG3 ARG A 24 12.290 -12.111 -12.353 1.00 10.00 H new ATOM 0 HD2 ARG A 24 10.085 -11.231 -13.196 1.00 10.00 H new ATOM 0 HD3 ARG A 24 10.786 -9.635 -13.379 1.00 10.00 H new ATOM 0 HE ARG A 24 11.436 -12.044 -15.058 1.00 10.00 H new ATOM 0 HH11 ARG A 24 13.976 -10.574 -14.123 1.00 10.00 H new ATOM 0 HH12 ARG A 24 14.216 -9.437 -15.453 1.00 10.00 H new ATOM 0 HH21 ARG A 24 10.966 -9.817 -16.689 1.00 10.00 H new ATOM 0 HH22 ARG A 24 12.524 -9.011 -16.895 1.00 10.00 H new ATOM 386 N GLN A 25 13.497 -12.036 -9.351 1.00 10.00 N ATOM 387 CA GLN A 25 14.756 -12.757 -9.012 1.00 10.00 C ATOM 388 C GLN A 25 14.609 -13.477 -7.667 1.00 10.00 C ATOM 389 O GLN A 25 15.265 -14.466 -7.407 1.00 10.00 O ATOM 390 CB GLN A 25 15.828 -11.654 -8.951 1.00 10.00 C ATOM 391 CG GLN A 25 16.625 -11.737 -7.643 1.00 10.00 C ATOM 392 CD GLN A 25 17.767 -12.742 -7.800 1.00 10.00 C ATOM 393 OE1 GLN A 25 19.001 -12.324 -7.714 1.00 10.00 O flip ATOM 394 NE2 GLN A 25 17.537 -13.918 -8.003 1.00 10.00 N flip ATOM 0 H GLN A 25 13.519 -11.029 -9.191 1.00 10.00 H new ATOM 0 HA GLN A 25 15.014 -13.527 -9.739 1.00 10.00 H new ATOM 0 HB2 GLN A 25 16.504 -11.751 -9.800 1.00 10.00 H new ATOM 0 HB3 GLN A 25 15.354 -10.676 -9.031 1.00 10.00 H new ATOM 0 HG2 GLN A 25 17.024 -10.756 -7.386 1.00 10.00 H new ATOM 0 HG3 GLN A 25 15.971 -12.040 -6.825 1.00 10.00 H new ATOM 0 HE21 GLN A 25 16.573 -14.245 -8.070 1.00 10.00 H new ATOM 0 HE22 GLN A 25 18.308 -14.578 -8.106 1.00 10.00 H new ATOM 403 N GLN A 26 13.753 -12.989 -6.810 1.00 10.00 N ATOM 404 CA GLN A 26 13.567 -13.647 -5.483 1.00 10.00 C ATOM 405 C GLN A 26 14.925 -14.036 -4.892 1.00 10.00 C ATOM 406 O GLN A 26 15.291 -15.194 -4.886 1.00 10.00 O ATOM 407 CB GLN A 26 12.728 -14.892 -5.771 1.00 10.00 C ATOM 408 CG GLN A 26 11.420 -14.820 -4.981 1.00 10.00 C ATOM 409 CD GLN A 26 11.228 -16.114 -4.188 1.00 10.00 C ATOM 410 OE1 GLN A 26 11.964 -17.065 -4.368 1.00 10.00 O ATOM 411 NE2 GLN A 26 10.265 -16.192 -3.312 1.00 10.00 N ATOM 0 H GLN A 26 13.175 -12.164 -6.970 1.00 10.00 H new ATOM 0 HA GLN A 26 13.083 -12.990 -4.760 1.00 10.00 H new ATOM 0 HB2 GLN A 26 12.517 -14.963 -6.838 1.00 10.00 H new ATOM 0 HB3 GLN A 26 13.283 -15.789 -5.496 1.00 10.00 H new ATOM 0 HG2 GLN A 26 11.439 -13.966 -4.304 1.00 10.00 H new ATOM 0 HG3 GLN A 26 10.581 -14.670 -5.660 1.00 10.00 H new ATOM 0 HE21 GLN A 26 9.647 -15.394 -3.161 1.00 10.00 H new ATOM 0 HE22 GLN A 26 10.129 -17.051 -2.778 1.00 10.00 H new ATOM 420 N PRO A 27 15.626 -13.045 -4.416 1.00 10.00 N ATOM 421 CA PRO A 27 16.961 -13.274 -3.816 1.00 10.00 C ATOM 422 C PRO A 27 16.830 -13.998 -2.472 1.00 10.00 C ATOM 423 O PRO A 27 15.741 -14.148 -1.952 1.00 10.00 O ATOM 424 CB PRO A 27 17.515 -11.865 -3.624 1.00 10.00 C ATOM 425 CG PRO A 27 16.308 -10.991 -3.536 1.00 10.00 C ATOM 426 CD PRO A 27 15.248 -11.631 -4.392 1.00 10.00 C ATOM 0 HA PRO A 27 17.605 -13.899 -4.434 1.00 10.00 H new ATOM 0 HB2 PRO A 27 18.120 -11.797 -2.720 1.00 10.00 H new ATOM 0 HB3 PRO A 27 18.154 -11.574 -4.457 1.00 10.00 H new ATOM 0 HG2 PRO A 27 15.970 -10.901 -2.504 1.00 10.00 H new ATOM 0 HG3 PRO A 27 16.533 -9.984 -3.887 1.00 10.00 H new ATOM 0 HD2 PRO A 27 14.253 -11.490 -3.969 1.00 10.00 H new ATOM 0 HD3 PRO A 27 15.232 -11.204 -5.395 1.00 10.00 H new ATOM 434 N PRO A 28 17.951 -14.419 -1.954 1.00 10.00 N ATOM 435 CA PRO A 28 17.974 -15.134 -0.655 1.00 10.00 C ATOM 436 C PRO A 28 17.630 -14.178 0.491 1.00 10.00 C ATOM 437 O PRO A 28 16.792 -14.466 1.323 1.00 10.00 O ATOM 438 CB PRO A 28 19.414 -15.627 -0.541 1.00 10.00 C ATOM 439 CG PRO A 28 20.203 -14.695 -1.400 1.00 10.00 C ATOM 440 CD PRO A 28 19.293 -14.273 -2.522 1.00 10.00 C ATOM 0 HA PRO A 28 17.247 -15.944 -0.600 1.00 10.00 H new ATOM 0 HB2 PRO A 28 19.760 -15.602 0.492 1.00 10.00 H new ATOM 0 HB3 PRO A 28 19.508 -16.657 -0.884 1.00 10.00 H new ATOM 0 HG2 PRO A 28 20.539 -13.831 -0.827 1.00 10.00 H new ATOM 0 HG3 PRO A 28 21.095 -15.187 -1.788 1.00 10.00 H new ATOM 0 HD2 PRO A 28 19.488 -13.246 -2.831 1.00 10.00 H new ATOM 0 HD3 PRO A 28 19.426 -14.901 -3.403 1.00 10.00 H new ATOM 448 N ASP A 29 18.271 -13.042 0.541 1.00 10.00 N ATOM 449 CA ASP A 29 17.981 -12.070 1.636 1.00 10.00 C ATOM 450 C ASP A 29 17.471 -10.751 1.050 1.00 10.00 C ATOM 451 O ASP A 29 17.869 -10.343 -0.024 1.00 10.00 O ATOM 452 CB ASP A 29 19.315 -11.850 2.360 1.00 10.00 C ATOM 453 CG ASP A 29 20.384 -12.790 1.796 1.00 10.00 C ATOM 454 OD1 ASP A 29 20.199 -13.992 1.893 1.00 10.00 O ATOM 455 OD2 ASP A 29 21.369 -12.292 1.277 1.00 10.00 O ATOM 0 H ASP A 29 18.982 -12.744 -0.127 1.00 10.00 H new ATOM 0 HA ASP A 29 17.212 -12.442 2.313 1.00 10.00 H new ATOM 0 HB2 ASP A 29 19.634 -10.814 2.244 1.00 10.00 H new ATOM 0 HB3 ASP A 29 19.191 -12.028 3.428 1.00 10.00 H new ATOM 460 N LEU A 30 16.598 -10.080 1.748 1.00 10.00 N ATOM 461 CA LEU A 30 16.064 -8.785 1.234 1.00 10.00 C ATOM 462 C LEU A 30 17.008 -7.643 1.618 1.00 10.00 C ATOM 463 O LEU A 30 17.364 -6.817 0.801 1.00 10.00 O ATOM 464 CB LEU A 30 14.708 -8.617 1.924 1.00 10.00 C ATOM 465 CG LEU A 30 13.825 -7.677 1.102 1.00 10.00 C ATOM 466 CD1 LEU A 30 14.541 -6.339 0.912 1.00 10.00 C ATOM 467 CD2 LEU A 30 13.546 -8.304 -0.266 1.00 10.00 C ATOM 0 H LEU A 30 16.230 -10.372 2.653 1.00 10.00 H new ATOM 0 HA LEU A 30 15.972 -8.773 0.148 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.222 -9.586 2.033 1.00 10.00 H new ATOM 0 HB3 LEU A 30 14.847 -8.216 2.928 1.00 10.00 H new ATOM 0 HG LEU A 30 12.883 -7.514 1.626 1.00 10.00 H new ATOM 0 HD11 LEU A 30 13.911 -5.669 0.326 1.00 10.00 H new ATOM 0 HD12 LEU A 30 14.740 -5.891 1.886 1.00 10.00 H new ATOM 0 HD13 LEU A 30 15.483 -6.502 0.389 1.00 10.00 H new ATOM 0 HD21 LEU A 30 12.917 -7.634 -0.852 1.00 10.00 H new ATOM 0 HD22 LEU A 30 14.488 -8.468 -0.790 1.00 10.00 H new ATOM 0 HD23 LEU A 30 13.035 -9.257 -0.132 1.00 10.00 H new ATOM 479 N VAL A 31 17.420 -7.591 2.855 1.00 10.00 N ATOM 480 CA VAL A 31 18.347 -6.503 3.283 1.00 10.00 C ATOM 481 C VAL A 31 19.434 -6.308 2.229 1.00 10.00 C ATOM 482 O VAL A 31 19.483 -5.307 1.542 1.00 10.00 O ATOM 483 CB VAL A 31 18.967 -6.997 4.588 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.718 -5.848 5.263 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.865 -7.501 5.522 1.00 10.00 C ATOM 0 H VAL A 31 17.157 -8.252 3.586 1.00 10.00 H new ATOM 0 HA VAL A 31 17.835 -5.549 3.409 1.00 10.00 H new ATOM 0 HB VAL A 31 19.660 -7.810 4.373 1.00 10.00 H new ATOM 0 HG11 VAL A 31 20.161 -6.200 6.195 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.505 -5.489 4.600 1.00 10.00 H new ATOM 0 HG13 VAL A 31 19.024 -5.035 5.476 1.00 10.00 H new ATOM 0 HG21 VAL A 31 18.310 -7.853 6.453 1.00 10.00 H new ATOM 0 HG22 VAL A 31 17.170 -6.689 5.736 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.329 -8.320 5.043 1.00 10.00 H new ATOM 495 N ASP A 32 20.307 -7.267 2.099 1.00 10.00 N ATOM 496 CA ASP A 32 21.396 -7.158 1.094 1.00 10.00 C ATOM 497 C ASP A 32 20.812 -6.769 -0.268 1.00 10.00 C ATOM 498 O ASP A 32 21.408 -6.020 -1.017 1.00 10.00 O ATOM 499 CB ASP A 32 22.018 -8.557 1.062 1.00 10.00 C ATOM 500 CG ASP A 32 21.571 -9.307 -0.196 1.00 10.00 C ATOM 501 OD1 ASP A 32 20.384 -9.563 -0.318 1.00 10.00 O ATOM 502 OD2 ASP A 32 22.422 -9.611 -1.015 1.00 10.00 O ATOM 0 H ASP A 32 20.312 -8.126 2.650 1.00 10.00 H new ATOM 0 HA ASP A 32 22.134 -6.394 1.337 1.00 10.00 H new ATOM 0 HB2 ASP A 32 23.105 -8.480 1.081 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.722 -9.115 1.951 1.00 10.00 H new ATOM 507 N PHE A 33 19.647 -7.263 -0.591 1.00 10.00 N ATOM 508 CA PHE A 33 19.028 -6.906 -1.898 1.00 10.00 C ATOM 509 C PHE A 33 18.668 -5.419 -1.906 1.00 10.00 C ATOM 510 O PHE A 33 18.903 -4.718 -2.870 1.00 10.00 O ATOM 511 CB PHE A 33 17.767 -7.764 -2.000 1.00 10.00 C ATOM 512 CG PHE A 33 16.845 -7.174 -3.042 1.00 10.00 C ATOM 513 CD1 PHE A 33 17.249 -7.119 -4.381 1.00 10.00 C ATOM 514 CD2 PHE A 33 15.591 -6.678 -2.668 1.00 10.00 C ATOM 515 CE1 PHE A 33 16.398 -6.565 -5.347 1.00 10.00 C ATOM 516 CE2 PHE A 33 14.740 -6.125 -3.634 1.00 10.00 C ATOM 517 CZ PHE A 33 15.144 -6.069 -4.973 1.00 10.00 C ATOM 0 H PHE A 33 19.100 -7.896 -0.008 1.00 10.00 H new ATOM 0 HA PHE A 33 19.700 -7.084 -2.738 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.030 -8.787 -2.268 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.263 -7.807 -1.034 1.00 10.00 H new ATOM 0 HD1 PHE A 33 18.216 -7.503 -4.670 1.00 10.00 H new ATOM 0 HD2 PHE A 33 15.279 -6.721 -1.635 1.00 10.00 H new ATOM 0 HE1 PHE A 33 16.710 -6.521 -6.380 1.00 10.00 H new ATOM 0 HE2 PHE A 33 13.772 -5.742 -3.345 1.00 10.00 H new ATOM 0 HZ PHE A 33 14.488 -5.643 -5.718 1.00 10.00 H new ATOM 527 N ALA A 34 18.106 -4.934 -0.833 1.00 10.00 N ATOM 528 CA ALA A 34 17.737 -3.492 -0.770 1.00 10.00 C ATOM 529 C ALA A 34 18.986 -2.630 -0.940 1.00 10.00 C ATOM 530 O ALA A 34 18.933 -1.532 -1.459 1.00 10.00 O ATOM 531 CB ALA A 34 17.141 -3.296 0.624 1.00 10.00 C ATOM 0 H ALA A 34 17.886 -5.475 0.003 1.00 10.00 H new ATOM 0 HA ALA A 34 17.037 -3.207 -1.555 1.00 10.00 H new ATOM 0 HB1 ALA A 34 16.843 -2.255 0.749 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.269 -3.939 0.741 1.00 10.00 H new ATOM 0 HB3 ALA A 34 17.885 -3.554 1.377 1.00 10.00 H new ATOM 537 N VAL A 35 20.112 -3.119 -0.502 1.00 10.00 N ATOM 538 CA VAL A 35 21.364 -2.343 -0.625 1.00 10.00 C ATOM 539 C VAL A 35 21.973 -2.537 -2.013 1.00 10.00 C ATOM 540 O VAL A 35 22.619 -1.660 -2.545 1.00 10.00 O ATOM 541 CB VAL A 35 22.265 -2.942 0.447 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.705 -2.537 0.183 1.00 10.00 C ATOM 543 CG2 VAL A 35 21.827 -2.428 1.816 1.00 10.00 C ATOM 0 H VAL A 35 20.213 -4.033 -0.061 1.00 10.00 H new ATOM 0 HA VAL A 35 21.217 -1.270 -0.501 1.00 10.00 H new ATOM 0 HB VAL A 35 22.189 -4.029 0.426 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.350 -2.966 0.950 1.00 10.00 H new ATOM 0 HG12 VAL A 35 24.012 -2.904 -0.796 1.00 10.00 H new ATOM 0 HG13 VAL A 35 23.787 -1.450 0.205 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.469 -2.854 2.587 1.00 10.00 H new ATOM 0 HG22 VAL A 35 21.905 -1.341 1.839 1.00 10.00 H new ATOM 0 HG23 VAL A 35 20.794 -2.721 2.001 1.00 10.00 H new ATOM 553 N GLU A 36 21.777 -3.685 -2.600 1.00 10.00 N ATOM 554 CA GLU A 36 22.352 -3.938 -3.953 1.00 10.00 C ATOM 555 C GLU A 36 21.516 -3.237 -5.029 1.00 10.00 C ATOM 556 O GLU A 36 22.038 -2.750 -6.013 1.00 10.00 O ATOM 557 CB GLU A 36 22.318 -5.467 -4.115 1.00 10.00 C ATOM 558 CG GLU A 36 21.228 -5.892 -5.109 1.00 10.00 C ATOM 559 CD GLU A 36 21.757 -7.033 -5.980 1.00 10.00 C ATOM 560 OE1 GLU A 36 21.671 -8.171 -5.547 1.00 10.00 O ATOM 561 OE2 GLU A 36 22.237 -6.750 -7.065 1.00 10.00 O ATOM 0 H GLU A 36 21.244 -4.459 -2.203 1.00 10.00 H new ATOM 0 HA GLU A 36 23.364 -3.548 -4.059 1.00 10.00 H new ATOM 0 HB2 GLU A 36 23.289 -5.821 -4.462 1.00 10.00 H new ATOM 0 HB3 GLU A 36 22.135 -5.935 -3.148 1.00 10.00 H new ATOM 0 HG2 GLU A 36 20.335 -6.212 -4.572 1.00 10.00 H new ATOM 0 HG3 GLU A 36 20.939 -5.046 -5.733 1.00 10.00 H new ATOM 568 N TYR A 37 20.224 -3.188 -4.856 1.00 10.00 N ATOM 569 CA TYR A 37 19.362 -2.523 -5.876 1.00 10.00 C ATOM 570 C TYR A 37 19.517 -1.002 -5.803 1.00 10.00 C ATOM 571 O TYR A 37 19.875 -0.359 -6.771 1.00 10.00 O ATOM 572 CB TYR A 37 17.934 -2.933 -5.516 1.00 10.00 C ATOM 573 CG TYR A 37 16.960 -2.112 -6.326 1.00 10.00 C ATOM 574 CD1 TYR A 37 16.862 -2.307 -7.708 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.157 -1.155 -5.694 1.00 10.00 C ATOM 576 CE1 TYR A 37 15.959 -1.545 -8.460 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.254 -0.393 -6.447 1.00 10.00 C ATOM 578 CZ TYR A 37 15.155 -0.588 -7.829 1.00 10.00 C ATOM 579 OH TYR A 37 14.266 0.165 -8.570 1.00 10.00 O ATOM 0 H TYR A 37 19.728 -3.578 -4.055 1.00 10.00 H new ATOM 0 HA TYR A 37 19.630 -2.817 -6.891 1.00 10.00 H new ATOM 0 HB2 TYR A 37 17.787 -3.994 -5.716 1.00 10.00 H new ATOM 0 HB3 TYR A 37 17.757 -2.782 -4.451 1.00 10.00 H new ATOM 0 HD1 TYR A 37 17.482 -3.045 -8.195 1.00 10.00 H new ATOM 0 HD2 TYR A 37 16.234 -1.004 -4.627 1.00 10.00 H new ATOM 0 HE1 TYR A 37 15.883 -1.696 -9.527 1.00 10.00 H new ATOM 0 HE2 TYR A 37 14.634 0.345 -5.960 1.00 10.00 H new ATOM 0 HH TYR A 37 13.786 0.781 -7.978 1.00 10.00 H new ATOM 589 N PHE A 38 19.243 -0.419 -4.669 1.00 10.00 N ATOM 590 CA PHE A 38 19.368 1.062 -4.544 1.00 10.00 C ATOM 591 C PHE A 38 20.815 1.503 -4.799 1.00 10.00 C ATOM 592 O PHE A 38 21.072 2.361 -5.620 1.00 10.00 O ATOM 593 CB PHE A 38 18.941 1.373 -3.111 1.00 10.00 C ATOM 594 CG PHE A 38 17.463 1.098 -2.964 1.00 10.00 C ATOM 595 CD1 PHE A 38 16.570 1.526 -3.955 1.00 10.00 C ATOM 596 CD2 PHE A 38 16.985 0.415 -1.838 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.199 1.270 -3.820 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.614 0.160 -1.705 1.00 10.00 C ATOM 599 CZ PHE A 38 14.722 0.588 -2.696 1.00 10.00 C ATOM 0 H PHE A 38 18.938 -0.902 -3.824 1.00 10.00 H new ATOM 0 HA PHE A 38 18.755 1.593 -5.272 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.509 0.762 -2.409 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.155 2.415 -2.873 1.00 10.00 H new ATOM 0 HD1 PHE A 38 16.938 2.053 -4.823 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.673 0.085 -1.073 1.00 10.00 H new ATOM 0 HE1 PHE A 38 14.510 1.599 -4.584 1.00 10.00 H new ATOM 0 HE2 PHE A 38 15.245 -0.367 -0.838 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.665 0.391 -2.592 1.00 10.00 H new ATOM 609 N THR A 39 21.763 0.924 -4.112 1.00 10.00 N ATOM 610 CA THR A 39 23.185 1.321 -4.339 1.00 10.00 C ATOM 611 C THR A 39 23.481 1.326 -5.839 1.00 10.00 C ATOM 612 O THR A 39 23.952 2.302 -6.388 1.00 10.00 O ATOM 613 CB THR A 39 24.025 0.253 -3.634 1.00 10.00 C ATOM 614 OG1 THR A 39 23.998 0.476 -2.232 1.00 10.00 O ATOM 615 CG2 THR A 39 25.468 0.323 -4.137 1.00 10.00 C ATOM 0 H THR A 39 21.618 0.199 -3.409 1.00 10.00 H new ATOM 0 HA THR A 39 23.403 2.318 -3.956 1.00 10.00 H new ATOM 0 HB THR A 39 23.614 -0.733 -3.851 1.00 10.00 H new ATOM 0 HG1 THR A 39 23.487 -0.238 -1.797 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.066 -0.438 -3.635 1.00 10.00 H new ATOM 0 HG22 THR A 39 25.487 0.148 -5.213 1.00 10.00 H new ATOM 0 HG23 THR A 39 25.881 1.309 -3.923 1.00 10.00 H new ATOM 623 N ARG A 40 23.201 0.240 -6.506 1.00 10.00 N ATOM 624 CA ARG A 40 23.458 0.179 -7.972 1.00 10.00 C ATOM 625 C ARG A 40 22.693 1.299 -8.680 1.00 10.00 C ATOM 626 O ARG A 40 23.076 1.751 -9.741 1.00 10.00 O ATOM 627 CB ARG A 40 22.938 -1.189 -8.411 1.00 10.00 C ATOM 628 CG ARG A 40 23.458 -1.506 -9.813 1.00 10.00 C ATOM 629 CD ARG A 40 23.048 -2.927 -10.202 1.00 10.00 C ATOM 630 NE ARG A 40 23.568 -3.112 -11.585 1.00 10.00 N ATOM 631 CZ ARG A 40 23.575 -4.301 -12.126 1.00 10.00 C ATOM 632 NH1 ARG A 40 23.212 -5.340 -11.426 1.00 10.00 N ATOM 633 NH2 ARG A 40 23.947 -4.449 -13.368 1.00 10.00 N ATOM 0 H ARG A 40 22.805 -0.607 -6.099 1.00 10.00 H new ATOM 0 HA ARG A 40 24.513 0.306 -8.216 1.00 10.00 H new ATOM 0 HB2 ARG A 40 23.264 -1.956 -7.709 1.00 10.00 H new ATOM 0 HB3 ARG A 40 21.848 -1.194 -8.406 1.00 10.00 H new ATOM 0 HG2 ARG A 40 23.056 -0.791 -10.531 1.00 10.00 H new ATOM 0 HG3 ARG A 40 24.543 -1.409 -9.840 1.00 10.00 H new ATOM 0 HD2 ARG A 40 23.474 -3.662 -9.519 1.00 10.00 H new ATOM 0 HD3 ARG A 40 21.965 -3.049 -10.168 1.00 10.00 H new ATOM 0 HE ARG A 40 23.919 -2.311 -12.110 1.00 10.00 H new ATOM 0 HH11 ARG A 40 22.922 -5.225 -10.455 1.00 10.00 H new ATOM 0 HH12 ARG A 40 23.218 -6.268 -11.850 1.00 10.00 H new ATOM 0 HH21 ARG A 40 24.232 -3.637 -13.915 1.00 10.00 H new ATOM 0 HH22 ARG A 40 23.953 -5.377 -13.791 1.00 10.00 H new ATOM 647 N LEU A 41 21.617 1.754 -8.099 1.00 10.00 N ATOM 648 CA LEU A 41 20.834 2.849 -8.738 1.00 10.00 C ATOM 649 C LEU A 41 21.705 4.100 -8.868 1.00 10.00 C ATOM 650 O LEU A 41 21.671 4.793 -9.867 1.00 10.00 O ATOM 651 CB LEU A 41 19.660 3.107 -7.790 1.00 10.00 C ATOM 652 CG LEU A 41 18.415 3.483 -8.599 1.00 10.00 C ATOM 653 CD1 LEU A 41 18.810 4.394 -9.763 1.00 10.00 C ATOM 654 CD2 LEU A 41 17.764 2.212 -9.147 1.00 10.00 C ATOM 0 H LEU A 41 21.247 1.416 -7.211 1.00 10.00 H new ATOM 0 HA LEU A 41 20.493 2.588 -9.740 1.00 10.00 H new ATOM 0 HB2 LEU A 41 19.462 2.218 -7.191 1.00 10.00 H new ATOM 0 HB3 LEU A 41 19.910 3.909 -7.096 1.00 10.00 H new ATOM 0 HG LEU A 41 17.710 4.008 -7.954 1.00 10.00 H new ATOM 0 HD11 LEU A 41 17.921 4.659 -10.336 1.00 10.00 H new ATOM 0 HD12 LEU A 41 19.275 5.300 -9.374 1.00 10.00 H new ATOM 0 HD13 LEU A 41 19.516 3.873 -10.409 1.00 10.00 H new ATOM 0 HD21 LEU A 41 16.877 2.477 -9.723 1.00 10.00 H new ATOM 0 HD22 LEU A 41 18.472 1.689 -9.790 1.00 10.00 H new ATOM 0 HD23 LEU A 41 17.478 1.564 -8.319 1.00 10.00 H new ATOM 666 N ARG A 42 22.487 4.393 -7.865 1.00 10.00 N ATOM 667 CA ARG A 42 23.363 5.597 -7.927 1.00 10.00 C ATOM 668 C ARG A 42 24.215 5.568 -9.198 1.00 10.00 C ATOM 669 O ARG A 42 24.646 6.592 -9.691 1.00 10.00 O ATOM 670 CB ARG A 42 24.249 5.502 -6.686 1.00 10.00 C ATOM 671 CG ARG A 42 23.972 6.694 -5.772 1.00 10.00 C ATOM 672 CD ARG A 42 23.421 6.198 -4.433 1.00 10.00 C ATOM 673 NE ARG A 42 24.496 6.480 -3.439 1.00 10.00 N ATOM 674 CZ ARG A 42 25.036 7.666 -3.376 1.00 10.00 C ATOM 675 NH1 ARG A 42 24.389 8.704 -3.833 1.00 10.00 N ATOM 676 NH2 ARG A 42 26.223 7.816 -2.855 1.00 10.00 N ATOM 0 H ARG A 42 22.557 3.850 -7.004 1.00 10.00 H new ATOM 0 HA ARG A 42 22.791 6.524 -7.951 1.00 10.00 H new ATOM 0 HB2 ARG A 42 24.053 4.570 -6.156 1.00 10.00 H new ATOM 0 HB3 ARG A 42 25.300 5.488 -6.976 1.00 10.00 H new ATOM 0 HG2 ARG A 42 24.888 7.262 -5.611 1.00 10.00 H new ATOM 0 HG3 ARG A 42 23.257 7.368 -6.244 1.00 10.00 H new ATOM 0 HD2 ARG A 42 22.498 6.715 -4.172 1.00 10.00 H new ATOM 0 HD3 ARG A 42 23.190 5.133 -4.472 1.00 10.00 H new ATOM 0 HE ARG A 42 24.810 5.744 -2.807 1.00 10.00 H new ATOM 0 HH11 ARG A 42 23.461 8.588 -4.240 1.00 10.00 H new ATOM 0 HH12 ARG A 42 24.812 9.631 -3.783 1.00 10.00 H new ATOM 0 HH21 ARG A 42 26.729 7.006 -2.497 1.00 10.00 H new ATOM 0 HH22 ARG A 42 26.645 8.743 -2.806 1.00 10.00 H new ATOM 690 N GLU A 43 24.462 4.404 -9.732 1.00 10.00 N ATOM 691 CA GLU A 43 25.287 4.314 -10.971 1.00 10.00 C ATOM 692 C GLU A 43 24.542 4.964 -12.142 1.00 10.00 C ATOM 693 O GLU A 43 25.142 5.470 -13.069 1.00 10.00 O ATOM 694 CB GLU A 43 25.501 2.807 -11.190 1.00 10.00 C ATOM 695 CG GLU A 43 25.032 2.382 -12.588 1.00 10.00 C ATOM 696 CD GLU A 43 26.217 2.407 -13.554 1.00 10.00 C ATOM 697 OE1 GLU A 43 26.701 3.490 -13.839 1.00 10.00 O ATOM 698 OE2 GLU A 43 26.622 1.344 -13.992 1.00 10.00 O ATOM 0 H GLU A 43 24.129 3.512 -9.365 1.00 10.00 H new ATOM 0 HA GLU A 43 26.239 4.838 -10.891 1.00 10.00 H new ATOM 0 HB2 GLU A 43 26.557 2.564 -11.067 1.00 10.00 H new ATOM 0 HB3 GLU A 43 24.955 2.245 -10.433 1.00 10.00 H new ATOM 0 HG2 GLU A 43 24.601 1.381 -12.550 1.00 10.00 H new ATOM 0 HG3 GLU A 43 24.248 3.053 -12.940 1.00 10.00 H new ATOM 705 N ALA A 44 23.238 4.955 -12.102 1.00 10.00 N ATOM 706 CA ALA A 44 22.453 5.574 -13.211 1.00 10.00 C ATOM 707 C ALA A 44 22.766 7.060 -13.317 1.00 10.00 C ATOM 708 O ALA A 44 23.370 7.521 -14.264 1.00 10.00 O ATOM 709 CB ALA A 44 20.991 5.414 -12.813 1.00 10.00 C ATOM 0 H ALA A 44 22.681 4.547 -11.351 1.00 10.00 H new ATOM 0 HA ALA A 44 22.687 5.107 -14.168 1.00 10.00 H new ATOM 0 HB1 ALA A 44 20.354 5.848 -13.584 1.00 10.00 H new ATOM 0 HB2 ALA A 44 20.758 4.355 -12.703 1.00 10.00 H new ATOM 0 HB3 ALA A 44 20.814 5.925 -11.867 1.00 10.00 H new ATOM 715 N ARG A 45 22.326 7.812 -12.349 1.00 10.00 N ATOM 716 CA ARG A 45 22.555 9.276 -12.377 1.00 10.00 C ATOM 717 C ARG A 45 23.970 9.589 -12.874 1.00 10.00 C ATOM 718 O ARG A 45 24.820 8.722 -12.944 1.00 10.00 O ATOM 719 CB ARG A 45 22.377 9.733 -10.930 1.00 10.00 C ATOM 720 CG ARG A 45 21.729 11.118 -10.910 1.00 10.00 C ATOM 721 CD ARG A 45 20.439 11.064 -10.089 1.00 10.00 C ATOM 722 NE ARG A 45 19.928 12.463 -10.089 1.00 10.00 N ATOM 723 CZ ARG A 45 18.649 12.688 -9.977 1.00 10.00 C ATOM 724 NH1 ARG A 45 18.044 12.466 -8.843 1.00 10.00 N ATOM 725 NH2 ARG A 45 17.974 13.137 -11.000 1.00 10.00 N ATOM 0 H ARG A 45 21.814 7.470 -11.535 1.00 10.00 H new ATOM 0 HA ARG A 45 21.868 9.786 -13.052 1.00 10.00 H new ATOM 0 HB2 ARG A 45 21.756 9.021 -10.386 1.00 10.00 H new ATOM 0 HB3 ARG A 45 23.343 9.764 -10.426 1.00 10.00 H new ATOM 0 HG2 ARG A 45 22.416 11.847 -10.480 1.00 10.00 H new ATOM 0 HG3 ARG A 45 21.512 11.445 -11.927 1.00 10.00 H new ATOM 0 HD2 ARG A 45 19.716 10.379 -10.533 1.00 10.00 H new ATOM 0 HD3 ARG A 45 20.630 10.713 -9.075 1.00 10.00 H new ATOM 0 HE ARG A 45 20.578 13.244 -10.177 1.00 10.00 H new ATOM 0 HH11 ARG A 45 18.572 12.116 -8.043 1.00 10.00 H new ATOM 0 HH12 ARG A 45 17.043 12.642 -8.756 1.00 10.00 H new ATOM 0 HH21 ARG A 45 18.447 13.312 -11.886 1.00 10.00 H new ATOM 0 HH22 ARG A 45 16.973 13.313 -10.913 1.00 10.00 H new ATOM 739 N ARG A 46 24.232 10.821 -13.215 1.00 10.00 N ATOM 740 CA ARG A 46 25.594 11.188 -13.703 1.00 10.00 C ATOM 741 C ARG A 46 25.995 10.289 -14.877 1.00 10.00 C ATOM 742 O ARG A 46 26.694 9.317 -14.640 1.00 10.00 O ATOM 743 CB ARG A 46 26.520 10.955 -12.509 1.00 10.00 C ATOM 744 CG ARG A 46 27.970 11.187 -12.935 1.00 10.00 C ATOM 745 CD ARG A 46 28.670 12.075 -11.903 1.00 10.00 C ATOM 746 NE ARG A 46 27.793 13.272 -11.769 1.00 10.00 N ATOM 747 CZ ARG A 46 28.041 14.162 -10.847 1.00 10.00 C ATOM 748 NH1 ARG A 46 28.952 15.074 -11.047 1.00 10.00 N ATOM 749 NH2 ARG A 46 27.377 14.137 -9.722 1.00 10.00 N ATOM 750 OXT ARG A 46 25.595 10.587 -15.990 1.00 10.00 O ATOM 0 H ARG A 46 23.563 11.590 -13.177 1.00 10.00 H new ATOM 0 HA ARG A 46 25.641 12.217 -14.060 1.00 10.00 H new ATOM 0 HB2 ARG A 46 26.257 11.629 -11.694 1.00 10.00 H new ATOM 0 HB3 ARG A 46 26.398 9.939 -12.134 1.00 10.00 H new ATOM 0 HG2 ARG A 46 28.491 10.234 -13.023 1.00 10.00 H new ATOM 0 HG3 ARG A 46 28.001 11.659 -13.917 1.00 10.00 H new ATOM 0 HD2 ARG A 46 28.783 11.559 -10.949 1.00 10.00 H new ATOM 0 HD3 ARG A 46 29.670 12.353 -12.235 1.00 10.00 H new ATOM 0 HE ARG A 46 26.999 13.396 -12.397 1.00 10.00 H new ATOM 0 HH11 ARG A 46 29.471 15.092 -11.925 1.00 10.00 H new ATOM 0 HH12 ARG A 46 29.145 15.769 -10.326 1.00 10.00 H new ATOM 0 HH21 ARG A 46 26.666 13.423 -9.565 1.00 10.00 H new ATOM 0 HH22 ARG A 46 27.570 14.832 -9.001 1.00 10.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 -7.431 -3.846 2.701 1.00 10.00 N ATOM 766 CA HIS B 1 -8.125 -2.940 1.741 1.00 10.00 C ATOM 767 C HIS B 1 -9.120 -3.732 0.889 1.00 10.00 C ATOM 768 O HIS B 1 -10.294 -3.423 0.839 1.00 10.00 O ATOM 769 CB HIS B 1 -7.013 -2.361 0.867 1.00 10.00 C ATOM 770 CG HIS B 1 -5.896 -1.858 1.740 1.00 10.00 C ATOM 771 ND1 HIS B 1 -4.638 -2.439 1.740 1.00 10.00 N ATOM 772 CD2 HIS B 1 -5.834 -0.830 2.649 1.00 10.00 C ATOM 773 CE1 HIS B 1 -3.879 -1.763 2.622 1.00 10.00 C ATOM 774 NE2 HIS B 1 -4.559 -0.771 3.204 1.00 10.00 N ATOM 0 H1 HIS B 1 -7.133 -3.304 3.537 1.00 10.00 H new ATOM 0 H2 HIS B 1 -8.080 -4.604 2.994 1.00 10.00 H new ATOM 0 H3 HIS B 1 -6.596 -4.263 2.243 1.00 10.00 H new ATOM 0 HA HIS B 1 -8.693 -2.160 2.248 1.00 10.00 H new ATOM 0 HB2 HIS B 1 -6.639 -3.124 0.184 1.00 10.00 H new ATOM 0 HB3 HIS B 1 -7.404 -1.548 0.255 1.00 10.00 H new ATOM 0 HD2 HIS B 1 -6.651 -0.168 2.896 1.00 10.00 H new ATOM 0 HE1 HIS B 1 -2.846 -1.994 2.834 1.00 10.00 H new ATOM 0 HE2 HIS B 1 -4.217 -0.112 3.904 1.00 10.00 H new ATOM 784 N MET B 2 -8.658 -4.747 0.213 1.00 10.00 N ATOM 785 CA MET B 2 -9.578 -5.554 -0.640 1.00 10.00 C ATOM 786 C MET B 2 -9.113 -7.016 -0.705 1.00 10.00 C ATOM 787 O MET B 2 -9.850 -7.891 -1.114 1.00 10.00 O ATOM 788 CB MET B 2 -9.501 -4.901 -2.021 1.00 10.00 C ATOM 789 CG MET B 2 -10.003 -5.879 -3.085 1.00 10.00 C ATOM 790 SD MET B 2 -10.462 -4.966 -4.581 1.00 10.00 S ATOM 791 CE MET B 2 -9.188 -3.684 -4.475 1.00 10.00 C ATOM 0 H MET B 2 -7.685 -5.053 0.213 1.00 10.00 H new ATOM 0 HA MET B 2 -10.595 -5.571 -0.248 1.00 10.00 H new ATOM 0 HB2 MET B 2 -10.102 -3.992 -2.037 1.00 10.00 H new ATOM 0 HB3 MET B 2 -8.474 -4.608 -2.238 1.00 10.00 H new ATOM 0 HG2 MET B 2 -9.228 -6.610 -3.316 1.00 10.00 H new ATOM 0 HG3 MET B 2 -10.862 -6.434 -2.707 1.00 10.00 H new ATOM 0 HE1 MET B 2 -9.088 -3.190 -5.441 1.00 10.00 H new ATOM 0 HE2 MET B 2 -9.472 -2.951 -3.720 1.00 10.00 H new ATOM 0 HE3 MET B 2 -8.236 -4.139 -4.200 1.00 10.00 H new ATOM 801 N GLY B 3 -7.900 -7.289 -0.307 1.00 10.00 N ATOM 802 CA GLY B 3 -7.402 -8.693 -0.350 1.00 10.00 C ATOM 803 C GLY B 3 -5.895 -8.695 -0.613 1.00 10.00 C ATOM 804 O GLY B 3 -5.350 -7.757 -1.159 1.00 10.00 O ATOM 0 H GLY B 3 -7.234 -6.602 0.045 1.00 10.00 H new ATOM 0 HA2 GLY B 3 -7.617 -9.195 0.593 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -7.919 -9.249 -1.132 1.00 10.00 H new ATOM 808 N HIS B 4 -5.217 -9.742 -0.230 1.00 10.00 N ATOM 809 CA HIS B 4 -3.746 -9.804 -0.457 1.00 10.00 C ATOM 810 C HIS B 4 -3.260 -11.254 -0.371 1.00 10.00 C ATOM 811 O HIS B 4 -2.779 -11.697 0.653 1.00 10.00 O ATOM 812 CB HIS B 4 -3.138 -8.965 0.669 1.00 10.00 C ATOM 813 CG HIS B 4 -2.853 -7.579 0.159 1.00 10.00 C ATOM 814 ND1 HIS B 4 -2.750 -7.074 -1.113 1.00 10.00 N flip ATOM 815 CD2 HIS B 4 -2.636 -6.507 1.011 1.00 10.00 C flip ATOM 816 CE1 HIS B 4 -2.473 -5.711 -1.054 1.00 10.00 C flip ATOM 817 NE2 HIS B 4 -2.414 -5.422 0.248 1.00 10.00 N flip ATOM 0 H HIS B 4 -5.619 -10.558 0.231 1.00 10.00 H new ATOM 0 HA HIS B 4 -3.462 -9.432 -1.441 1.00 10.00 H new ATOM 0 HB2 HIS B 4 -3.824 -8.920 1.515 1.00 10.00 H new ATOM 0 HB3 HIS B 4 -2.219 -9.429 1.028 1.00 10.00 H new ATOM 0 HD2 HIS B 4 -2.644 -6.538 2.091 1.00 10.00 H new ATOM 0 HE1 HIS B 4 -2.335 -5.033 -1.883 1.00 10.00 H new ATOM 0 HE2 HIS B 4 -2.224 -4.491 0.619 1.00 10.00 H new ATOM 825 N ILE B 5 -3.385 -11.996 -1.437 1.00 10.00 N ATOM 826 CA ILE B 5 -2.933 -13.417 -1.412 1.00 10.00 C ATOM 827 C ILE B 5 -1.836 -13.642 -2.462 1.00 10.00 C ATOM 828 O ILE B 5 -1.912 -14.540 -3.275 1.00 10.00 O ATOM 829 CB ILE B 5 -4.191 -14.233 -1.732 1.00 10.00 C ATOM 830 CG1 ILE B 5 -4.043 -15.650 -1.167 1.00 10.00 C ATOM 831 CG2 ILE B 5 -4.405 -14.304 -3.247 1.00 10.00 C ATOM 832 CD1 ILE B 5 -2.803 -16.324 -1.759 1.00 10.00 C ATOM 0 H ILE B 5 -3.780 -11.681 -2.323 1.00 10.00 H new ATOM 0 HA ILE B 5 -2.502 -13.706 -0.453 1.00 10.00 H new ATOM 0 HB ILE B 5 -5.053 -13.747 -1.275 1.00 10.00 H new ATOM 0 HG12 ILE B 5 -3.962 -15.610 -0.081 1.00 10.00 H new ATOM 0 HG13 ILE B 5 -4.932 -16.237 -1.399 1.00 10.00 H new ATOM 0 HG21 ILE B 5 -5.301 -14.886 -3.461 1.00 10.00 H new ATOM 0 HG22 ILE B 5 -4.523 -13.296 -3.645 1.00 10.00 H new ATOM 0 HG23 ILE B 5 -3.543 -14.780 -3.714 1.00 10.00 H new ATOM 0 HD11 ILE B 5 -2.706 -17.330 -1.351 1.00 10.00 H new ATOM 0 HD12 ILE B 5 -2.902 -16.379 -2.843 1.00 10.00 H new ATOM 0 HD13 ILE B 5 -1.917 -15.743 -1.505 1.00 10.00 H new ATOM 844 N GLN B 6 -0.815 -12.828 -2.448 1.00 10.00 N ATOM 845 CA GLN B 6 0.284 -12.993 -3.442 1.00 10.00 C ATOM 846 C GLN B 6 1.487 -12.129 -3.052 1.00 10.00 C ATOM 847 O GLN B 6 2.167 -11.575 -3.892 1.00 10.00 O ATOM 848 CB GLN B 6 -0.310 -12.521 -4.768 1.00 10.00 C ATOM 849 CG GLN B 6 -0.827 -11.089 -4.613 1.00 10.00 C ATOM 850 CD GLN B 6 -0.132 -10.184 -5.633 1.00 10.00 C ATOM 851 OE1 GLN B 6 -0.745 -9.295 -6.191 1.00 10.00 O ATOM 852 NE2 GLN B 6 1.130 -10.375 -5.901 1.00 10.00 N ATOM 0 H GLN B 6 -0.695 -12.057 -1.792 1.00 10.00 H new ATOM 0 HA GLN B 6 0.640 -14.022 -3.498 1.00 10.00 H new ATOM 0 HB2 GLN B 6 0.445 -12.564 -5.553 1.00 10.00 H new ATOM 0 HB3 GLN B 6 -1.122 -13.182 -5.071 1.00 10.00 H new ATOM 0 HG2 GLN B 6 -1.906 -11.062 -4.763 1.00 10.00 H new ATOM 0 HG3 GLN B 6 -0.636 -10.729 -3.602 1.00 10.00 H new ATOM 0 HE21 GLN B 6 1.644 -11.121 -5.432 1.00 10.00 H new ATOM 0 HE22 GLN B 6 1.603 -9.778 -6.579 1.00 10.00 H new ATOM 861 N ILE B 7 1.755 -12.014 -1.780 1.00 10.00 N ATOM 862 CA ILE B 7 2.915 -11.190 -1.332 1.00 10.00 C ATOM 863 C ILE B 7 3.429 -11.692 0.022 1.00 10.00 C ATOM 864 O ILE B 7 2.705 -11.690 0.999 1.00 10.00 O ATOM 865 CB ILE B 7 2.369 -9.766 -1.201 1.00 10.00 C ATOM 866 CG1 ILE B 7 2.050 -9.207 -2.591 1.00 10.00 C ATOM 867 CG2 ILE B 7 3.417 -8.878 -0.526 1.00 10.00 C ATOM 868 CD1 ILE B 7 3.326 -9.164 -3.434 1.00 10.00 C ATOM 0 H ILE B 7 1.221 -12.455 -1.031 1.00 10.00 H new ATOM 0 HA ILE B 7 3.750 -11.243 -2.031 1.00 10.00 H new ATOM 0 HB ILE B 7 1.460 -9.782 -0.599 1.00 10.00 H new ATOM 0 HG12 ILE B 7 1.300 -9.828 -3.080 1.00 10.00 H new ATOM 0 HG13 ILE B 7 1.627 -8.206 -2.503 1.00 10.00 H new ATOM 0 HG21 ILE B 7 3.029 -7.864 -0.432 1.00 10.00 H new ATOM 0 HG22 ILE B 7 3.645 -9.272 0.464 1.00 10.00 H new ATOM 0 HG23 ILE B 7 4.325 -8.865 -1.129 1.00 10.00 H new ATOM 0 HD11 ILE B 7 3.096 -8.766 -4.422 1.00 10.00 H new ATOM 0 HD12 ILE B 7 4.062 -8.524 -2.947 1.00 10.00 H new ATOM 0 HD13 ILE B 7 3.730 -10.171 -3.534 1.00 10.00 H new ATOM 880 N PRO B 8 4.666 -12.108 0.031 1.00 10.00 N ATOM 881 CA PRO B 8 5.290 -12.621 1.274 1.00 10.00 C ATOM 882 C PRO B 8 5.550 -11.479 2.260 1.00 10.00 C ATOM 883 O PRO B 8 5.745 -10.347 1.863 1.00 10.00 O ATOM 884 CB PRO B 8 6.597 -13.233 0.797 1.00 10.00 C ATOM 885 CG PRO B 8 6.906 -12.521 -0.474 1.00 10.00 C ATOM 886 CD PRO B 8 5.592 -12.144 -1.103 1.00 10.00 C ATOM 0 HA PRO B 8 4.659 -13.336 1.801 1.00 10.00 H new ATOM 0 HB2 PRO B 8 7.390 -13.095 1.531 1.00 10.00 H new ATOM 0 HB3 PRO B 8 6.496 -14.306 0.635 1.00 10.00 H new ATOM 0 HG2 PRO B 8 7.509 -11.634 -0.281 1.00 10.00 H new ATOM 0 HG3 PRO B 8 7.483 -13.160 -1.142 1.00 10.00 H new ATOM 0 HD2 PRO B 8 5.650 -11.178 -1.604 1.00 10.00 H new ATOM 0 HD3 PRO B 8 5.282 -12.873 -1.851 1.00 10.00 H new ATOM 894 N PRO B 9 5.544 -11.820 3.518 1.00 10.00 N ATOM 895 CA PRO B 9 5.783 -10.815 4.579 1.00 10.00 C ATOM 896 C PRO B 9 7.262 -10.425 4.623 1.00 10.00 C ATOM 897 O PRO B 9 8.030 -10.762 3.742 1.00 10.00 O ATOM 898 CB PRO B 9 5.376 -11.540 5.858 1.00 10.00 C ATOM 899 CG PRO B 9 5.535 -12.995 5.548 1.00 10.00 C ATOM 900 CD PRO B 9 5.314 -13.161 4.065 1.00 10.00 C ATOM 0 HA PRO B 9 5.229 -9.889 4.424 1.00 10.00 H new ATOM 0 HB2 PRO B 9 6.006 -11.244 6.697 1.00 10.00 H new ATOM 0 HB3 PRO B 9 4.348 -11.306 6.134 1.00 10.00 H new ATOM 0 HG2 PRO B 9 6.529 -13.342 5.830 1.00 10.00 H new ATOM 0 HG3 PRO B 9 4.817 -13.590 6.113 1.00 10.00 H new ATOM 0 HD2 PRO B 9 6.003 -13.889 3.638 1.00 10.00 H new ATOM 0 HD3 PRO B 9 4.305 -13.512 3.849 1.00 10.00 H new ATOM 908 N GLY B 10 7.669 -9.719 5.640 1.00 10.00 N ATOM 909 CA GLY B 10 9.097 -9.308 5.738 1.00 10.00 C ATOM 910 C GLY B 10 9.317 -8.030 4.927 1.00 10.00 C ATOM 911 O GLY B 10 9.958 -7.101 5.377 1.00 10.00 O ATOM 0 H GLY B 10 7.074 -9.408 6.408 1.00 10.00 H new ATOM 0 HA2 GLY B 10 9.368 -9.141 6.781 1.00 10.00 H new ATOM 0 HA3 GLY B 10 9.742 -10.104 5.365 1.00 10.00 H new ATOM 915 N LEU B 11 8.790 -7.973 3.735 1.00 10.00 N ATOM 916 CA LEU B 11 8.969 -6.751 2.898 1.00 10.00 C ATOM 917 C LEU B 11 8.121 -5.604 3.456 1.00 10.00 C ATOM 918 O LEU B 11 8.437 -4.443 3.283 1.00 10.00 O ATOM 919 CB LEU B 11 8.478 -7.148 1.503 1.00 10.00 C ATOM 920 CG LEU B 11 9.279 -6.398 0.433 1.00 10.00 C ATOM 921 CD1 LEU B 11 9.591 -4.977 0.912 1.00 10.00 C ATOM 922 CD2 LEU B 11 10.589 -7.142 0.163 1.00 10.00 C ATOM 0 H LEU B 11 8.243 -8.719 3.304 1.00 10.00 H new ATOM 0 HA LEU B 11 10.004 -6.408 2.883 1.00 10.00 H new ATOM 0 HB2 LEU B 11 8.586 -8.224 1.363 1.00 10.00 H new ATOM 0 HB3 LEU B 11 7.417 -6.918 1.403 1.00 10.00 H new ATOM 0 HG LEU B 11 8.690 -6.346 -0.483 1.00 10.00 H new ATOM 0 HD11 LEU B 11 10.160 -4.451 0.145 1.00 10.00 H new ATOM 0 HD12 LEU B 11 8.659 -4.444 1.101 1.00 10.00 H new ATOM 0 HD13 LEU B 11 10.176 -5.023 1.831 1.00 10.00 H new ATOM 0 HD21 LEU B 11 11.160 -6.610 -0.598 1.00 10.00 H new ATOM 0 HD22 LEU B 11 11.172 -7.197 1.082 1.00 10.00 H new ATOM 0 HD23 LEU B 11 10.369 -8.150 -0.188 1.00 10.00 H new ATOM 934 N THR B 12 7.044 -5.921 4.123 1.00 10.00 N ATOM 935 CA THR B 12 6.173 -4.851 4.689 1.00 10.00 C ATOM 936 C THR B 12 6.885 -4.142 5.843 1.00 10.00 C ATOM 937 O THR B 12 6.614 -2.996 6.141 1.00 10.00 O ATOM 938 CB THR B 12 4.928 -5.582 5.195 1.00 10.00 C ATOM 939 OG1 THR B 12 4.113 -5.945 4.088 1.00 10.00 O ATOM 940 CG2 THR B 12 4.139 -4.667 6.133 1.00 10.00 C ATOM 0 H THR B 12 6.730 -6.875 4.300 1.00 10.00 H new ATOM 0 HA THR B 12 5.927 -4.086 3.952 1.00 10.00 H new ATOM 0 HB THR B 12 5.229 -6.479 5.737 1.00 10.00 H new ATOM 0 HG1 THR B 12 3.315 -6.415 4.409 1.00 10.00 H new ATOM 0 HG21 THR B 12 3.253 -5.191 6.492 1.00 10.00 H new ATOM 0 HG22 THR B 12 4.764 -4.389 6.981 1.00 10.00 H new ATOM 0 HG23 THR B 12 3.837 -3.768 5.595 1.00 10.00 H new ATOM 948 N GLU B 13 7.793 -4.813 6.494 1.00 10.00 N ATOM 949 CA GLU B 13 8.521 -4.177 7.628 1.00 10.00 C ATOM 950 C GLU B 13 9.565 -3.189 7.102 1.00 10.00 C ATOM 951 O GLU B 13 9.713 -2.096 7.613 1.00 10.00 O ATOM 952 CB GLU B 13 9.200 -5.334 8.361 1.00 10.00 C ATOM 953 CG GLU B 13 9.705 -4.852 9.722 1.00 10.00 C ATOM 954 CD GLU B 13 9.653 -6.006 10.723 1.00 10.00 C ATOM 955 OE1 GLU B 13 8.560 -6.456 11.024 1.00 10.00 O ATOM 956 OE2 GLU B 13 10.709 -6.423 11.171 1.00 10.00 O ATOM 0 H GLU B 13 8.063 -5.775 6.290 1.00 10.00 H new ATOM 0 HA GLU B 13 7.854 -3.614 8.282 1.00 10.00 H new ATOM 0 HB2 GLU B 13 8.497 -6.157 8.493 1.00 10.00 H new ATOM 0 HB3 GLU B 13 10.031 -5.716 7.768 1.00 10.00 H new ATOM 0 HG2 GLU B 13 10.726 -4.480 9.632 1.00 10.00 H new ATOM 0 HG3 GLU B 13 9.093 -4.022 10.076 1.00 10.00 H new ATOM 963 N LEU B 14 10.293 -3.565 6.086 1.00 10.00 N ATOM 964 CA LEU B 14 11.328 -2.648 5.529 1.00 10.00 C ATOM 965 C LEU B 14 10.677 -1.368 4.999 1.00 10.00 C ATOM 966 O LEU B 14 11.138 -0.273 5.253 1.00 10.00 O ATOM 967 CB LEU B 14 11.974 -3.432 4.385 1.00 10.00 C ATOM 968 CG LEU B 14 13.260 -4.097 4.880 1.00 10.00 C ATOM 969 CD1 LEU B 14 12.989 -4.813 6.204 1.00 10.00 C ATOM 970 CD2 LEU B 14 13.738 -5.113 3.840 1.00 10.00 C ATOM 0 H LEU B 14 10.216 -4.468 5.617 1.00 10.00 H new ATOM 0 HA LEU B 14 12.056 -2.344 6.281 1.00 10.00 H new ATOM 0 HB2 LEU B 14 11.282 -4.187 4.012 1.00 10.00 H new ATOM 0 HB3 LEU B 14 12.195 -2.764 3.552 1.00 10.00 H new ATOM 0 HG LEU B 14 14.028 -3.338 5.030 1.00 10.00 H new ATOM 0 HD11 LEU B 14 13.906 -5.286 6.556 1.00 10.00 H new ATOM 0 HD12 LEU B 14 12.646 -4.091 6.945 1.00 10.00 H new ATOM 0 HD13 LEU B 14 12.222 -5.573 6.056 1.00 10.00 H new ATOM 0 HD21 LEU B 14 14.654 -5.588 4.190 1.00 10.00 H new ATOM 0 HD22 LEU B 14 12.969 -5.871 3.692 1.00 10.00 H new ATOM 0 HD23 LEU B 14 13.931 -4.604 2.896 1.00 10.00 H new ATOM 982 N LEU B 15 9.612 -1.499 4.256 1.00 10.00 N ATOM 983 CA LEU B 15 8.934 -0.290 3.703 1.00 10.00 C ATOM 984 C LEU B 15 8.335 0.554 4.831 1.00 10.00 C ATOM 985 O LEU B 15 8.691 1.703 5.010 1.00 10.00 O ATOM 986 CB LEU B 15 7.830 -0.837 2.797 1.00 10.00 C ATOM 987 CG LEU B 15 8.346 -0.937 1.360 1.00 10.00 C ATOM 988 CD1 LEU B 15 9.748 -1.549 1.360 1.00 10.00 C ATOM 989 CD2 LEU B 15 7.405 -1.826 0.543 1.00 10.00 C ATOM 0 H LEU B 15 9.182 -2.390 4.008 1.00 10.00 H new ATOM 0 HA LEU B 15 9.625 0.357 3.163 1.00 10.00 H new ATOM 0 HB2 LEU B 15 7.511 -1.818 3.148 1.00 10.00 H new ATOM 0 HB3 LEU B 15 6.957 -0.185 2.836 1.00 10.00 H new ATOM 0 HG LEU B 15 8.385 0.059 0.919 1.00 10.00 H new ATOM 0 HD11 LEU B 15 10.114 -1.620 0.336 1.00 10.00 H new ATOM 0 HD12 LEU B 15 10.420 -0.919 1.943 1.00 10.00 H new ATOM 0 HD13 LEU B 15 9.710 -2.545 1.801 1.00 10.00 H new ATOM 0 HD21 LEU B 15 7.771 -1.899 -0.481 1.00 10.00 H new ATOM 0 HD22 LEU B 15 7.368 -2.821 0.986 1.00 10.00 H new ATOM 0 HD23 LEU B 15 6.405 -1.392 0.541 1.00 10.00 H new ATOM 1001 N GLN B 16 7.429 -0.002 5.590 1.00 10.00 N ATOM 1002 CA GLN B 16 6.809 0.775 6.704 1.00 10.00 C ATOM 1003 C GLN B 16 7.859 1.661 7.376 1.00 10.00 C ATOM 1004 O GLN B 16 7.801 2.873 7.305 1.00 10.00 O ATOM 1005 CB GLN B 16 6.288 -0.278 7.682 1.00 10.00 C ATOM 1006 CG GLN B 16 4.879 0.105 8.139 1.00 10.00 C ATOM 1007 CD GLN B 16 4.789 -0.008 9.662 1.00 10.00 C ATOM 1008 OE1 GLN B 16 4.126 0.782 10.304 1.00 10.00 O ATOM 1009 NE2 GLN B 16 5.436 -0.964 10.273 1.00 10.00 N ATOM 0 H GLN B 16 7.091 -0.959 5.488 1.00 10.00 H new ATOM 0 HA GLN B 16 6.013 1.434 6.356 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.274 -1.258 7.205 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.953 -0.352 8.542 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.647 1.123 7.825 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.143 -0.549 7.671 1.00 10.00 H new ATOM 0 HE21 GLN B 16 5.993 -1.628 9.735 1.00 10.00 H new ATOM 0 HE22 GLN B 16 5.384 -1.047 11.288 1.00 10.00 H new ATOM 1018 N GLY B 17 8.825 1.069 8.022 1.00 10.00 N ATOM 1019 CA GLY B 17 9.877 1.885 8.687 1.00 10.00 C ATOM 1020 C GLY B 17 10.345 2.975 7.722 1.00 10.00 C ATOM 1021 O GLY B 17 10.460 4.129 8.082 1.00 10.00 O ATOM 0 H GLY B 17 8.931 0.059 8.118 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.485 2.333 9.600 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.716 1.253 8.977 1.00 10.00 H new ATOM 1025 N TYR B 18 10.611 2.615 6.495 1.00 10.00 N ATOM 1026 CA TYR B 18 11.065 3.629 5.503 1.00 10.00 C ATOM 1027 C TYR B 18 10.223 4.901 5.626 1.00 10.00 C ATOM 1028 O TYR B 18 10.727 5.965 5.927 1.00 10.00 O ATOM 1029 CB TYR B 18 10.842 2.972 4.141 1.00 10.00 C ATOM 1030 CG TYR B 18 11.992 3.314 3.225 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.308 3.225 3.692 1.00 10.00 C ATOM 1032 CD2 TYR B 18 11.741 3.722 1.909 1.00 10.00 C ATOM 1033 CE1 TYR B 18 14.375 3.542 2.844 1.00 10.00 C ATOM 1034 CE2 TYR B 18 12.808 4.040 1.060 1.00 10.00 C ATOM 1035 CZ TYR B 18 14.124 3.950 1.527 1.00 10.00 C ATOM 1036 OH TYR B 18 15.176 4.264 0.692 1.00 10.00 O ATOM 0 H TYR B 18 10.533 1.663 6.138 1.00 10.00 H new ATOM 0 HA TYR B 18 12.105 3.919 5.653 1.00 10.00 H new ATOM 0 HB2 TYR B 18 10.763 1.891 4.255 1.00 10.00 H new ATOM 0 HB3 TYR B 18 9.903 3.317 3.708 1.00 10.00 H new ATOM 0 HD1 TYR B 18 13.500 2.911 4.707 1.00 10.00 H new ATOM 0 HD2 TYR B 18 10.725 3.791 1.549 1.00 10.00 H new ATOM 0 HE1 TYR B 18 15.391 3.472 3.204 1.00 10.00 H new ATOM 0 HE2 TYR B 18 12.615 4.355 0.045 1.00 10.00 H new ATOM 0 HH TYR B 18 15.658 5.039 1.050 1.00 10.00 H new ATOM 1046 N THR B 19 8.944 4.797 5.390 1.00 10.00 N ATOM 1047 CA THR B 19 8.067 5.999 5.489 1.00 10.00 C ATOM 1048 C THR B 19 8.288 6.700 6.833 1.00 10.00 C ATOM 1049 O THR B 19 8.182 7.905 6.937 1.00 10.00 O ATOM 1050 CB THR B 19 6.639 5.453 5.375 1.00 10.00 C ATOM 1051 OG1 THR B 19 6.012 6.016 4.231 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.830 5.810 6.626 1.00 10.00 C ATOM 0 H THR B 19 8.468 3.932 5.133 1.00 10.00 H new ATOM 0 HA THR B 19 8.276 6.738 4.716 1.00 10.00 H new ATOM 0 HB THR B 19 6.681 4.368 5.281 1.00 10.00 H new ATOM 0 HG1 THR B 19 5.099 5.668 4.154 1.00 10.00 H new ATOM 0 HG21 THR B 19 4.818 5.416 6.530 1.00 10.00 H new ATOM 0 HG22 THR B 19 6.307 5.375 7.504 1.00 10.00 H new ATOM 0 HG23 THR B 19 5.788 6.894 6.735 1.00 10.00 H new ATOM 1060 N VAL B 20 8.592 5.956 7.861 1.00 10.00 N ATOM 1061 CA VAL B 20 8.814 6.585 9.195 1.00 10.00 C ATOM 1062 C VAL B 20 10.170 7.296 9.232 1.00 10.00 C ATOM 1063 O VAL B 20 10.391 8.189 10.025 1.00 10.00 O ATOM 1064 CB VAL B 20 8.790 5.424 10.188 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.760 5.973 11.616 1.00 10.00 C ATOM 1066 CG2 VAL B 20 7.543 4.572 9.944 1.00 10.00 C ATOM 0 H VAL B 20 8.696 4.942 7.836 1.00 10.00 H new ATOM 0 HA VAL B 20 8.059 7.336 9.426 1.00 10.00 H new ATOM 0 HB VAL B 20 9.682 4.812 10.053 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.743 5.144 12.324 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.647 6.581 11.791 1.00 10.00 H new ATOM 0 HG13 VAL B 20 7.868 6.585 11.752 1.00 10.00 H new ATOM 0 HG21 VAL B 20 7.524 3.743 10.652 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.652 5.185 10.079 1.00 10.00 H new ATOM 0 HG23 VAL B 20 7.563 4.180 8.927 1.00 10.00 H new ATOM 1076 N GLU B 21 11.078 6.911 8.377 1.00 10.00 N ATOM 1077 CA GLU B 21 12.417 7.574 8.368 1.00 10.00 C ATOM 1078 C GLU B 21 12.404 8.746 7.390 1.00 10.00 C ATOM 1079 O GLU B 21 12.687 9.873 7.743 1.00 10.00 O ATOM 1080 CB GLU B 21 13.415 6.513 7.891 1.00 10.00 C ATOM 1081 CG GLU B 21 12.815 5.121 8.065 1.00 10.00 C ATOM 1082 CD GLU B 21 13.935 4.099 8.271 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.962 4.237 7.627 1.00 10.00 O ATOM 1084 OE2 GLU B 21 13.745 3.196 9.069 1.00 10.00 O ATOM 0 H GLU B 21 10.954 6.170 7.687 1.00 10.00 H new ATOM 0 HA GLU B 21 12.681 7.958 9.353 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.666 6.682 6.844 1.00 10.00 H new ATOM 0 HB3 GLU B 21 14.342 6.592 8.458 1.00 10.00 H new ATOM 0 HG2 GLU B 21 12.138 5.110 8.919 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.225 4.856 7.188 1.00 10.00 H new ATOM 1091 N VAL B 22 12.075 8.479 6.158 1.00 10.00 N ATOM 1092 CA VAL B 22 12.037 9.563 5.138 1.00 10.00 C ATOM 1093 C VAL B 22 11.199 10.739 5.648 1.00 10.00 C ATOM 1094 O VAL B 22 11.427 11.876 5.291 1.00 10.00 O ATOM 1095 CB VAL B 22 11.387 8.930 3.908 1.00 10.00 C ATOM 1096 CG1 VAL B 22 11.671 9.794 2.683 1.00 10.00 C ATOM 1097 CG2 VAL B 22 11.966 7.532 3.682 1.00 10.00 C ATOM 0 H VAL B 22 11.829 7.552 5.812 1.00 10.00 H new ATOM 0 HA VAL B 22 13.029 9.955 4.914 1.00 10.00 H new ATOM 0 HB VAL B 22 10.311 8.858 4.067 1.00 10.00 H new ATOM 0 HG11 VAL B 22 11.208 9.344 1.805 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.260 10.792 2.838 1.00 10.00 H new ATOM 0 HG13 VAL B 22 12.748 9.865 2.529 1.00 10.00 H new ATOM 0 HG21 VAL B 22 11.501 7.083 2.804 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.042 7.605 3.525 1.00 10.00 H new ATOM 0 HG23 VAL B 22 11.768 6.911 4.555 1.00 10.00 H new ATOM 1107 N LEU B 23B 10.232 10.476 6.484 1.00 10.00 N ATOM 1108 CA LEU B 23B 9.390 11.586 7.016 1.00 10.00 C ATOM 1109 C LEU B 23B 10.019 12.153 8.290 1.00 10.00 C ATOM 1110 O LEU B 23B 9.932 13.334 8.566 1.00 10.00 O ATOM 1111 CB LEU B 23B 8.036 10.948 7.327 1.00 10.00 C ATOM 1112 CG LEU B 23B 7.068 11.212 6.172 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 5.957 10.162 6.182 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 6.455 12.604 6.332 1.00 10.00 C ATOM 0 H LEU B 23B 9.989 9.544 6.821 1.00 10.00 H new ATOM 0 HA LEU B 23B 9.296 12.410 6.308 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 8.154 9.875 7.478 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 7.633 11.358 8.253 1.00 10.00 H new ATOM 0 HG LEU B 23B 7.608 11.157 5.227 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 5.269 10.352 5.358 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 6.393 9.170 6.068 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 5.415 10.214 7.127 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 5.765 12.794 5.510 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 5.916 12.658 7.278 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 7.246 13.353 6.322 1.00 10.00 H new ATOM 1126 N ARG B 24 10.655 11.319 9.067 1.00 10.00 N ATOM 1127 CA ARG B 24 11.293 11.807 10.325 1.00 10.00 C ATOM 1128 C ARG B 24 12.558 12.606 10.004 1.00 10.00 C ATOM 1129 O ARG B 24 12.615 13.804 10.197 1.00 10.00 O ATOM 1130 CB ARG B 24 11.644 10.539 11.104 1.00 10.00 C ATOM 1131 CG ARG B 24 12.162 10.918 12.492 1.00 10.00 C ATOM 1132 CD ARG B 24 11.104 10.573 13.542 1.00 10.00 C ATOM 1133 NE ARG B 24 11.718 10.946 14.847 1.00 10.00 N ATOM 1134 CZ ARG B 24 12.486 10.097 15.474 1.00 10.00 C ATOM 1135 NH1 ARG B 24 13.713 9.907 15.073 1.00 10.00 N ATOM 1136 NH2 ARG B 24 12.025 9.438 16.503 1.00 10.00 N ATOM 0 H ARG B 24 10.761 10.321 8.886 1.00 10.00 H new ATOM 0 HA ARG B 24 10.637 12.468 10.891 1.00 10.00 H new ATOM 0 HB2 ARG B 24 10.765 9.900 11.194 1.00 10.00 H new ATOM 0 HB3 ARG B 24 12.400 9.967 10.566 1.00 10.00 H new ATOM 0 HG2 ARG B 24 13.088 10.384 12.705 1.00 10.00 H new ATOM 0 HG3 ARG B 24 12.392 11.983 12.528 1.00 10.00 H new ATOM 0 HD2 ARG B 24 10.181 11.126 13.368 1.00 10.00 H new ATOM 0 HD3 ARG B 24 10.851 9.513 13.514 1.00 10.00 H new ATOM 0 HE ARG B 24 11.538 11.865 15.251 1.00 10.00 H new ATOM 0 HH11 ARG B 24 14.072 10.422 14.269 1.00 10.00 H new ATOM 0 HH12 ARG B 24 14.313 9.243 15.563 1.00 10.00 H new ATOM 0 HH21 ARG B 24 11.066 9.587 16.816 1.00 10.00 H new ATOM 0 HH22 ARG B 24 12.624 8.774 16.994 1.00 10.00 H new ATOM 1150 N GLN B 25 13.576 11.951 9.518 1.00 10.00 N ATOM 1151 CA GLN B 25 14.839 12.669 9.189 1.00 10.00 C ATOM 1152 C GLN B 25 14.690 13.418 7.859 1.00 10.00 C ATOM 1153 O GLN B 25 15.352 14.408 7.616 1.00 10.00 O ATOM 1154 CB GLN B 25 15.903 11.563 9.102 1.00 10.00 C ATOM 1155 CG GLN B 25 16.694 11.670 7.793 1.00 10.00 C ATOM 1156 CD GLN B 25 17.841 12.667 7.968 1.00 10.00 C ATOM 1157 OE1 GLN B 25 17.613 13.840 8.188 1.00 10.00 O ATOM 1158 NE2 GLN B 25 19.072 12.246 7.880 1.00 10.00 N ATOM 0 H GLN B 25 13.587 10.948 9.334 1.00 10.00 H new ATOM 0 HA GLN B 25 15.106 13.422 9.931 1.00 10.00 H new ATOM 0 HB2 GLN B 25 16.583 11.639 9.950 1.00 10.00 H new ATOM 0 HB3 GLN B 25 15.424 10.586 9.164 1.00 10.00 H new ATOM 0 HG2 GLN B 25 17.087 10.693 7.513 1.00 10.00 H new ATOM 0 HG3 GLN B 25 16.038 11.993 6.985 1.00 10.00 H new ATOM 0 HE21 GLN B 25 19.262 11.261 7.695 1.00 10.00 H new ATOM 0 HE22 GLN B 25 19.845 12.902 7.996 1.00 10.00 H new ATOM 1167 N GLN B 26 13.827 12.954 6.997 1.00 10.00 N ATOM 1168 CA GLN B 26 13.640 13.639 5.685 1.00 10.00 C ATOM 1169 C GLN B 26 14.996 14.028 5.093 1.00 10.00 C ATOM 1170 O GLN B 26 15.372 15.183 5.107 1.00 10.00 O ATOM 1171 CB GLN B 26 12.815 14.888 6.002 1.00 10.00 C ATOM 1172 CG GLN B 26 11.497 14.840 5.225 1.00 10.00 C ATOM 1173 CD GLN B 26 11.301 16.155 4.469 1.00 10.00 C ATOM 1174 OE1 GLN B 26 12.020 17.109 4.690 1.00 10.00 O ATOM 1175 NE2 GLN B 26 10.351 16.246 3.579 1.00 10.00 N ATOM 0 H GLN B 26 13.243 12.131 7.144 1.00 10.00 H new ATOM 0 HA GLN B 26 13.146 13.000 4.953 1.00 10.00 H new ATOM 0 HB2 GLN B 26 12.617 14.944 7.072 1.00 10.00 H new ATOM 0 HB3 GLN B 26 13.375 15.784 5.734 1.00 10.00 H new ATOM 0 HG2 GLN B 26 11.505 14.004 4.526 1.00 10.00 H new ATOM 0 HG3 GLN B 26 10.665 14.674 5.910 1.00 10.00 H new ATOM 0 HE21 GLN B 26 9.747 15.445 3.394 1.00 10.00 H new ATOM 0 HE22 GLN B 26 10.212 17.118 3.069 1.00 10.00 H new ATOM 1184 N PRO B 27 15.686 13.040 4.594 1.00 10.00 N ATOM 1185 CA PRO B 27 17.019 13.269 3.988 1.00 10.00 C ATOM 1186 C PRO B 27 16.883 14.018 2.658 1.00 10.00 C ATOM 1187 O PRO B 27 15.793 14.183 2.147 1.00 10.00 O ATOM 1188 CB PRO B 27 17.560 11.860 3.768 1.00 10.00 C ATOM 1189 CG PRO B 27 16.344 10.996 3.673 1.00 10.00 C ATOM 1190 CD PRO B 27 15.296 11.630 4.547 1.00 10.00 C ATOM 0 HA PRO B 27 17.674 13.878 4.611 1.00 10.00 H new ATOM 0 HB2 PRO B 27 18.158 11.803 2.858 1.00 10.00 H new ATOM 0 HB3 PRO B 27 18.203 11.550 4.592 1.00 10.00 H new ATOM 0 HG2 PRO B 27 15.998 10.926 2.642 1.00 10.00 H new ATOM 0 HG3 PRO B 27 16.563 9.981 4.005 1.00 10.00 H new ATOM 0 HD2 PRO B 27 14.297 11.505 4.129 1.00 10.00 H new ATOM 0 HD3 PRO B 27 15.283 11.185 5.542 1.00 10.00 H new ATOM 1198 N PRO B 28 18.003 14.444 2.143 1.00 10.00 N ATOM 1199 CA PRO B 28 18.022 15.182 0.857 1.00 10.00 C ATOM 1200 C PRO B 28 17.669 14.250 -0.305 1.00 10.00 C ATOM 1201 O PRO B 28 16.832 14.558 -1.130 1.00 10.00 O ATOM 1202 CB PRO B 28 19.464 15.672 0.745 1.00 10.00 C ATOM 1203 CG PRO B 28 20.253 14.722 1.584 1.00 10.00 C ATOM 1204 CD PRO B 28 19.347 14.283 2.702 1.00 10.00 C ATOM 0 HA PRO B 28 17.297 15.995 0.821 1.00 10.00 H new ATOM 0 HB2 PRO B 28 19.806 15.664 -0.290 1.00 10.00 H new ATOM 0 HB3 PRO B 28 19.564 16.696 1.106 1.00 10.00 H new ATOM 0 HG2 PRO B 28 20.584 13.867 0.995 1.00 10.00 H new ATOM 0 HG3 PRO B 28 21.148 15.204 1.977 1.00 10.00 H new ATOM 0 HD2 PRO B 28 19.539 13.250 2.991 1.00 10.00 H new ATOM 0 HD3 PRO B 28 19.486 14.895 3.594 1.00 10.00 H new ATOM 1212 N ASP B 29 18.303 13.111 -0.376 1.00 10.00 N ATOM 1213 CA ASP B 29 18.005 12.160 -1.487 1.00 10.00 C ATOM 1214 C ASP B 29 17.492 10.833 -0.923 1.00 10.00 C ATOM 1215 O ASP B 29 17.896 10.402 0.139 1.00 10.00 O ATOM 1216 CB ASP B 29 19.336 11.949 -2.221 1.00 10.00 C ATOM 1217 CG ASP B 29 20.417 12.862 -1.633 1.00 10.00 C ATOM 1218 OD1 ASP B 29 20.245 14.068 -1.699 1.00 10.00 O ATOM 1219 OD2 ASP B 29 21.397 12.339 -1.128 1.00 10.00 O ATOM 0 H ASP B 29 19.013 12.798 0.286 1.00 10.00 H new ATOM 0 HA ASP B 29 17.235 12.547 -2.155 1.00 10.00 H new ATOM 0 HB2 ASP B 29 19.645 10.907 -2.136 1.00 10.00 H new ATOM 0 HB3 ASP B 29 19.211 12.159 -3.283 1.00 10.00 H new ATOM 1224 N LEU B 30 16.609 10.181 -1.628 1.00 10.00 N ATOM 1225 CA LEU B 30 16.072 8.879 -1.135 1.00 10.00 C ATOM 1226 C LEU B 30 17.007 7.740 -1.544 1.00 10.00 C ATOM 1227 O LEU B 30 17.363 6.898 -0.743 1.00 10.00 O ATOM 1228 CB LEU B 30 14.712 8.732 -1.821 1.00 10.00 C ATOM 1229 CG LEU B 30 13.828 7.784 -1.010 1.00 10.00 C ATOM 1230 CD1 LEU B 30 14.534 6.437 -0.847 1.00 10.00 C ATOM 1231 CD2 LEU B 30 13.560 8.391 0.370 1.00 10.00 C ATOM 0 H LEU B 30 16.235 10.493 -2.524 1.00 10.00 H new ATOM 0 HA LEU B 30 15.986 8.846 -0.049 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.231 9.706 -1.911 1.00 10.00 H new ATOM 0 HB3 LEU B 30 14.843 8.347 -2.832 1.00 10.00 H new ATOM 0 HG LEU B 30 12.883 7.636 -1.532 1.00 10.00 H new ATOM 0 HD11 LEU B 30 13.902 5.763 -0.269 1.00 10.00 H new ATOM 0 HD12 LEU B 30 14.723 6.004 -1.829 1.00 10.00 H new ATOM 0 HD13 LEU B 30 15.481 6.583 -0.327 1.00 10.00 H new ATOM 0 HD21 LEU B 30 12.930 7.715 0.948 1.00 10.00 H new ATOM 0 HD22 LEU B 30 14.505 8.541 0.891 1.00 10.00 H new ATOM 0 HD23 LEU B 30 13.054 9.349 0.254 1.00 10.00 H new ATOM 1243 N VAL B 31 17.414 7.709 -2.783 1.00 10.00 N ATOM 1244 CA VAL B 31 18.334 6.625 -3.237 1.00 10.00 C ATOM 1245 C VAL B 31 19.427 6.405 -2.193 1.00 10.00 C ATOM 1246 O VAL B 31 19.474 5.392 -1.525 1.00 10.00 O ATOM 1247 CB VAL B 31 18.950 7.140 -4.536 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.689 5.999 -5.236 1.00 10.00 C ATOM 1249 CG2 VAL B 31 17.845 7.669 -5.451 1.00 10.00 C ATOM 0 H VAL B 31 17.151 8.385 -3.500 1.00 10.00 H new ATOM 0 HA VAL B 31 17.816 5.677 -3.378 1.00 10.00 H new ATOM 0 HB VAL B 31 19.651 7.944 -4.312 1.00 10.00 H new ATOM 0 HG11 VAL B 31 20.129 6.365 -6.163 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.477 5.622 -4.584 1.00 10.00 H new ATOM 0 HG13 VAL B 31 18.988 5.195 -5.460 1.00 10.00 H new ATOM 0 HG21 VAL B 31 18.285 8.037 -6.378 1.00 10.00 H new ATOM 0 HG22 VAL B 31 17.143 6.866 -5.676 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.318 8.482 -4.952 1.00 10.00 H new ATOM 1259 N ASP B 32 20.303 7.356 -2.052 1.00 10.00 N ATOM 1260 CA ASP B 32 21.397 7.223 -1.055 1.00 10.00 C ATOM 1261 C ASP B 32 20.818 6.813 0.302 1.00 10.00 C ATOM 1262 O ASP B 32 21.414 6.050 1.036 1.00 10.00 O ATOM 1263 CB ASP B 32 22.027 8.618 -1.000 1.00 10.00 C ATOM 1264 CG ASP B 32 21.577 9.349 0.268 1.00 10.00 C ATOM 1265 OD1 ASP B 32 20.391 9.603 0.391 1.00 10.00 O ATOM 1266 OD2 ASP B 32 22.427 9.639 1.094 1.00 10.00 O ATOM 0 H ASP B 32 20.309 8.224 -2.587 1.00 10.00 H new ATOM 0 HA ASP B 32 22.130 6.460 -1.317 1.00 10.00 H new ATOM 0 HB2 ASP B 32 23.114 8.536 -1.015 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.738 9.191 -1.881 1.00 10.00 H new ATOM 1271 N PHE B 33 19.655 7.305 0.639 1.00 10.00 N ATOM 1272 CA PHE B 33 19.042 6.928 1.944 1.00 10.00 C ATOM 1273 C PHE B 33 18.675 5.444 1.928 1.00 10.00 C ATOM 1274 O PHE B 33 18.897 4.727 2.882 1.00 10.00 O ATOM 1275 CB PHE B 33 17.784 7.792 2.069 1.00 10.00 C ATOM 1276 CG PHE B 33 16.867 7.191 3.109 1.00 10.00 C ATOM 1277 CD1 PHE B 33 17.281 7.109 4.445 1.00 10.00 C ATOM 1278 CD2 PHE B 33 15.606 6.709 2.737 1.00 10.00 C ATOM 1279 CE1 PHE B 33 16.434 6.545 5.408 1.00 10.00 C ATOM 1280 CE2 PHE B 33 14.759 6.147 3.700 1.00 10.00 C ATOM 1281 CZ PHE B 33 15.173 6.065 5.035 1.00 10.00 C ATOM 0 H PHE B 33 19.106 7.949 0.069 1.00 10.00 H new ATOM 0 HA PHE B 33 19.720 7.088 2.783 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.054 8.810 2.350 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.273 7.852 1.108 1.00 10.00 H new ATOM 0 HD1 PHE B 33 18.253 7.481 4.733 1.00 10.00 H new ATOM 0 HD2 PHE B 33 15.287 6.771 1.707 1.00 10.00 H new ATOM 0 HE1 PHE B 33 16.754 6.481 6.438 1.00 10.00 H new ATOM 0 HE2 PHE B 33 13.786 5.777 3.413 1.00 10.00 H new ATOM 0 HZ PHE B 33 14.519 5.631 5.777 1.00 10.00 H new ATOM 1291 N ALA B 34 18.117 4.979 0.843 1.00 10.00 N ATOM 1292 CA ALA B 34 17.741 3.540 0.757 1.00 10.00 C ATOM 1293 C ALA B 34 18.988 2.668 0.901 1.00 10.00 C ATOM 1294 O ALA B 34 18.933 1.563 1.402 1.00 10.00 O ATOM 1295 CB ALA B 34 17.133 3.374 -0.636 1.00 10.00 C ATOM 0 H ALA B 34 17.906 5.533 0.013 1.00 10.00 H new ATOM 0 HA ALA B 34 17.047 3.243 1.543 1.00 10.00 H new ATOM 0 HB1 ALA B 34 16.829 2.337 -0.779 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.263 4.024 -0.733 1.00 10.00 H new ATOM 0 HB3 ALA B 34 17.873 3.643 -1.390 1.00 10.00 H new ATOM 1301 N VAL B 35 20.114 3.159 0.460 1.00 10.00 N ATOM 1302 CA VAL B 35 21.362 2.374 0.562 1.00 10.00 C ATOM 1303 C VAL B 35 21.981 2.543 1.948 1.00 10.00 C ATOM 1304 O VAL B 35 22.647 1.663 2.452 1.00 10.00 O ATOM 1305 CB VAL B 35 22.260 2.982 -0.507 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.700 2.572 -0.253 1.00 10.00 C ATOM 1307 CG2 VAL B 35 21.820 2.486 -1.882 1.00 10.00 C ATOM 0 H VAL B 35 20.217 4.079 0.031 1.00 10.00 H new ATOM 0 HA VAL B 35 21.207 1.304 0.422 1.00 10.00 H new ATOM 0 HB VAL B 35 22.183 4.069 -0.473 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.343 3.007 -1.018 1.00 10.00 H new ATOM 0 HG12 VAL B 35 24.012 2.928 0.729 1.00 10.00 H new ATOM 0 HG13 VAL B 35 23.780 1.485 -0.287 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.462 2.921 -2.648 1.00 10.00 H new ATOM 0 HG22 VAL B 35 21.896 1.399 -1.918 1.00 10.00 H new ATOM 0 HG23 VAL B 35 20.787 2.784 -2.063 1.00 10.00 H new ATOM 1317 N GLU B 36 21.772 3.673 2.565 1.00 10.00 N ATOM 1318 CA GLU B 36 22.355 3.904 3.918 1.00 10.00 C ATOM 1319 C GLU B 36 21.519 3.195 4.990 1.00 10.00 C ATOM 1320 O GLU B 36 22.042 2.698 5.968 1.00 10.00 O ATOM 1321 CB GLU B 36 22.335 5.432 4.101 1.00 10.00 C ATOM 1322 CG GLU B 36 21.252 5.852 5.104 1.00 10.00 C ATOM 1323 CD GLU B 36 21.808 6.943 6.021 1.00 10.00 C ATOM 1324 OE1 GLU B 36 21.730 8.101 5.646 1.00 10.00 O ATOM 1325 OE2 GLU B 36 22.302 6.601 7.084 1.00 10.00 O ATOM 0 H GLU B 36 21.223 4.447 2.191 1.00 10.00 H new ATOM 0 HA GLU B 36 23.365 3.505 4.013 1.00 10.00 H new ATOM 0 HB2 GLU B 36 23.310 5.773 4.449 1.00 10.00 H new ATOM 0 HB3 GLU B 36 22.153 5.914 3.141 1.00 10.00 H new ATOM 0 HG2 GLU B 36 20.373 6.219 4.575 1.00 10.00 H new ATOM 0 HG3 GLU B 36 20.933 4.993 5.694 1.00 10.00 H new ATOM 1332 N TYR B 37 20.227 3.149 4.818 1.00 10.00 N ATOM 1333 CA TYR B 37 19.366 2.477 5.835 1.00 10.00 C ATOM 1334 C TYR B 37 19.508 0.957 5.739 1.00 10.00 C ATOM 1335 O TYR B 37 19.852 0.295 6.698 1.00 10.00 O ATOM 1336 CB TYR B 37 17.938 2.902 5.491 1.00 10.00 C ATOM 1337 CG TYR B 37 16.963 2.072 6.291 1.00 10.00 C ATOM 1338 CD1 TYR B 37 16.872 2.242 7.678 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.150 1.132 5.646 1.00 10.00 C ATOM 1340 CE1 TYR B 37 15.967 1.471 8.421 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.245 0.362 6.388 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.154 0.531 7.776 1.00 10.00 C ATOM 1343 OH TYR B 37 14.264 -0.228 8.506 1.00 10.00 O ATOM 0 H TYR B 37 19.730 3.546 4.020 1.00 10.00 H new ATOM 0 HA TYR B 37 19.643 2.755 6.852 1.00 10.00 H new ATOM 0 HB2 TYR B 37 17.798 3.960 5.711 1.00 10.00 H new ATOM 0 HB3 TYR B 37 17.755 2.772 4.424 1.00 10.00 H new ATOM 0 HD1 TYR B 37 17.499 2.967 8.175 1.00 10.00 H new ATOM 0 HD2 TYR B 37 16.221 1.001 4.576 1.00 10.00 H new ATOM 0 HE1 TYR B 37 15.897 1.602 9.491 1.00 10.00 H new ATOM 0 HE2 TYR B 37 14.617 -0.362 5.890 1.00 10.00 H new ATOM 0 HH TYR B 37 13.777 -0.830 7.905 1.00 10.00 H new ATOM 1353 N PHE B 38 19.238 0.396 4.594 1.00 10.00 N ATOM 1354 CA PHE B 38 19.350 -1.083 4.447 1.00 10.00 C ATOM 1355 C PHE B 38 20.796 -1.537 4.683 1.00 10.00 C ATOM 1356 O PHE B 38 21.051 -2.429 5.468 1.00 10.00 O ATOM 1357 CB PHE B 38 18.909 -1.371 3.012 1.00 10.00 C ATOM 1358 CG PHE B 38 17.431 -1.086 2.880 1.00 10.00 C ATOM 1359 CD1 PHE B 38 16.544 -1.534 3.867 1.00 10.00 C ATOM 1360 CD2 PHE B 38 16.949 -0.371 1.777 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.174 -1.269 3.748 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.579 -0.107 1.659 1.00 10.00 C ATOM 1363 CZ PHE B 38 14.691 -0.555 2.646 1.00 10.00 C ATOM 0 H PHE B 38 18.945 0.896 3.754 1.00 10.00 H new ATOM 0 HA PHE B 38 18.738 -1.620 5.172 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.474 -0.753 2.314 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.115 -2.410 2.757 1.00 10.00 H new ATOM 0 HD1 PHE B 38 16.916 -2.083 4.719 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.634 -0.023 1.018 1.00 10.00 H new ATOM 0 HE1 PHE B 38 14.490 -1.616 4.508 1.00 10.00 H new ATOM 0 HE2 PHE B 38 15.207 0.442 0.807 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.635 -0.349 2.556 1.00 10.00 H new ATOM 1373 N THR B 39 21.747 -0.931 4.023 1.00 10.00 N ATOM 1374 CA THR B 39 23.168 -1.341 4.236 1.00 10.00 C ATOM 1375 C THR B 39 23.467 -1.385 5.734 1.00 10.00 C ATOM 1376 O THR B 39 23.938 -2.376 6.256 1.00 10.00 O ATOM 1377 CB THR B 39 24.012 -0.260 3.557 1.00 10.00 C ATOM 1378 OG1 THR B 39 23.984 -0.448 2.149 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.455 -0.349 4.056 1.00 10.00 C ATOM 0 H THR B 39 21.605 -0.177 3.351 1.00 10.00 H new ATOM 0 HA THR B 39 23.380 -2.329 3.827 1.00 10.00 H new ATOM 0 HB THR B 39 23.605 0.722 3.799 1.00 10.00 H new ATOM 0 HG1 THR B 39 23.581 0.337 1.722 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.056 0.421 3.572 1.00 10.00 H new ATOM 0 HG22 THR B 39 25.476 -0.201 5.136 1.00 10.00 H new ATOM 0 HG23 THR B 39 25.863 -1.331 3.816 1.00 10.00 H new ATOM 1387 N ARG B 40 23.191 -0.316 6.428 1.00 10.00 N ATOM 1388 CA ARG B 40 23.453 -0.291 7.894 1.00 10.00 C ATOM 1389 C ARG B 40 22.681 -1.420 8.580 1.00 10.00 C ATOM 1390 O ARG B 40 23.057 -1.890 9.635 1.00 10.00 O ATOM 1391 CB ARG B 40 22.942 1.072 8.362 1.00 10.00 C ATOM 1392 CG ARG B 40 23.462 1.356 9.770 1.00 10.00 C ATOM 1393 CD ARG B 40 23.067 2.775 10.183 1.00 10.00 C ATOM 1394 NE ARG B 40 23.593 2.934 11.567 1.00 10.00 N ATOM 1395 CZ ARG B 40 23.607 4.110 12.130 1.00 10.00 C ATOM 1396 NH1 ARG B 40 23.246 5.165 11.451 1.00 10.00 N ATOM 1397 NH2 ARG B 40 23.983 4.231 13.374 1.00 10.00 N ATOM 0 H ARG B 40 22.795 0.542 6.043 1.00 10.00 H new ATOM 0 HA ARG B 40 24.507 -0.433 8.133 1.00 10.00 H new ATOM 0 HB2 ARG B 40 23.274 1.852 7.676 1.00 10.00 H new ATOM 0 HB3 ARG B 40 21.852 1.085 8.356 1.00 10.00 H new ATOM 0 HG2 ARG B 40 23.050 0.633 10.474 1.00 10.00 H new ATOM 0 HG3 ARG B 40 24.546 1.246 9.798 1.00 10.00 H new ATOM 0 HD2 ARG B 40 23.497 3.516 9.510 1.00 10.00 H new ATOM 0 HD3 ARG B 40 21.986 2.908 10.154 1.00 10.00 H new ATOM 0 HE ARG B 40 23.943 2.122 12.075 1.00 10.00 H new ATOM 0 HH11 ARG B 40 22.952 5.070 10.479 1.00 10.00 H new ATOM 0 HH12 ARG B 40 23.257 6.084 11.893 1.00 10.00 H new ATOM 0 HH21 ARG B 40 24.265 3.406 13.904 1.00 10.00 H new ATOM 0 HH22 ARG B 40 23.995 5.150 13.816 1.00 10.00 H new ATOM 1411 N LEU B 41 21.606 -1.862 7.987 1.00 10.00 N ATOM 1412 CA LEU B 41 20.819 -2.964 8.605 1.00 10.00 C ATOM 1413 C LEU B 41 21.683 -4.224 8.706 1.00 10.00 C ATOM 1414 O LEU B 41 21.657 -4.930 9.694 1.00 10.00 O ATOM 1415 CB LEU B 41 19.641 -3.195 7.655 1.00 10.00 C ATOM 1416 CG LEU B 41 18.394 -3.577 8.460 1.00 10.00 C ATOM 1417 CD1 LEU B 41 18.786 -4.505 9.610 1.00 10.00 C ATOM 1418 CD2 LEU B 41 17.749 -2.310 9.026 1.00 10.00 C ATOM 0 H LEU B 41 21.240 -1.508 7.103 1.00 10.00 H new ATOM 0 HA LEU B 41 20.483 -2.721 9.613 1.00 10.00 H new ATOM 0 HB2 LEU B 41 19.448 -2.293 7.074 1.00 10.00 H new ATOM 0 HB3 LEU B 41 19.884 -3.986 6.945 1.00 10.00 H new ATOM 0 HG LEU B 41 17.686 -4.090 7.809 1.00 10.00 H new ATOM 0 HD11 LEU B 41 17.897 -4.774 10.180 1.00 10.00 H new ATOM 0 HD12 LEU B 41 19.247 -5.408 9.208 1.00 10.00 H new ATOM 0 HD13 LEU B 41 19.495 -3.996 10.263 1.00 10.00 H new ATOM 0 HD21 LEU B 41 16.862 -2.578 9.599 1.00 10.00 H new ATOM 0 HD22 LEU B 41 18.460 -1.799 9.675 1.00 10.00 H new ATOM 0 HD23 LEU B 41 17.466 -1.649 8.207 1.00 10.00 H new ATOM 1430 N ARG B 42 22.450 -4.508 7.689 1.00 10.00 N ATOM 1431 CA ARG B 42 23.318 -5.718 7.722 1.00 10.00 C ATOM 1432 C ARG B 42 24.176 -5.722 8.991 1.00 10.00 C ATOM 1433 O ARG B 42 24.605 -6.758 9.458 1.00 10.00 O ATOM 1434 CB ARG B 42 24.200 -5.603 6.479 1.00 10.00 C ATOM 1435 CG ARG B 42 23.909 -6.775 5.542 1.00 10.00 C ATOM 1436 CD ARG B 42 23.350 -6.249 4.218 1.00 10.00 C ATOM 1437 NE ARG B 42 24.411 -6.522 3.209 1.00 10.00 N ATOM 1438 CZ ARG B 42 24.943 -7.710 3.121 1.00 10.00 C ATOM 1439 NH1 ARG B 42 24.289 -8.752 3.556 1.00 10.00 N ATOM 1440 NH2 ARG B 42 26.131 -7.856 2.600 1.00 10.00 N ATOM 0 H ARG B 42 22.513 -3.953 6.836 1.00 10.00 H new ATOM 0 HA ARG B 42 22.739 -6.642 7.729 1.00 10.00 H new ATOM 0 HB2 ARG B 42 24.008 -4.659 5.969 1.00 10.00 H new ATOM 0 HB3 ARG B 42 25.252 -5.603 6.764 1.00 10.00 H new ATOM 0 HG2 ARG B 42 24.821 -7.345 5.362 1.00 10.00 H new ATOM 0 HG3 ARG B 42 23.194 -7.455 6.005 1.00 10.00 H new ATOM 0 HD2 ARG B 42 22.419 -6.752 3.956 1.00 10.00 H new ATOM 0 HD3 ARG B 42 23.130 -5.183 4.279 1.00 10.00 H new ATOM 0 HE ARG B 42 24.723 -5.778 2.585 1.00 10.00 H new ATOM 0 HH11 ARG B 42 23.362 -8.638 3.965 1.00 10.00 H new ATOM 0 HH12 ARG B 42 24.705 -9.681 3.487 1.00 10.00 H new ATOM 0 HH21 ARG B 42 26.643 -7.041 2.262 1.00 10.00 H new ATOM 0 HH22 ARG B 42 26.547 -8.785 2.531 1.00 10.00 H new ATOM 1454 N GLU B 43 24.430 -4.572 9.551 1.00 10.00 N ATOM 1455 CA GLU B 43 25.259 -4.511 10.788 1.00 10.00 C ATOM 1456 C GLU B 43 24.513 -5.179 11.948 1.00 10.00 C ATOM 1457 O GLU B 43 25.111 -5.712 12.861 1.00 10.00 O ATOM 1458 CB GLU B 43 25.482 -3.010 11.036 1.00 10.00 C ATOM 1459 CG GLU B 43 25.034 -2.611 12.449 1.00 10.00 C ATOM 1460 CD GLU B 43 26.236 -2.648 13.394 1.00 10.00 C ATOM 1461 OE1 GLU B 43 26.715 -3.735 13.669 1.00 10.00 O ATOM 1462 OE2 GLU B 43 26.657 -1.587 13.827 1.00 10.00 O ATOM 0 H GLU B 43 24.099 -3.671 9.206 1.00 10.00 H new ATOM 0 HA GLU B 43 26.208 -5.039 10.695 1.00 10.00 H new ATOM 0 HB2 GLU B 43 26.537 -2.769 10.904 1.00 10.00 H new ATOM 0 HB3 GLU B 43 24.928 -2.430 10.298 1.00 10.00 H new ATOM 0 HG2 GLU B 43 24.599 -1.612 12.436 1.00 10.00 H new ATOM 0 HG3 GLU B 43 24.259 -3.291 12.802 1.00 10.00 H new ATOM 1469 N ALA B 44 23.209 -5.155 11.916 1.00 10.00 N ATOM 1470 CA ALA B 44 22.422 -5.790 13.013 1.00 10.00 C ATOM 1471 C ALA B 44 22.727 -7.279 13.089 1.00 10.00 C ATOM 1472 O ALA B 44 23.333 -7.761 14.025 1.00 10.00 O ATOM 1473 CB ALA B 44 20.960 -5.614 12.621 1.00 10.00 C ATOM 0 H ALA B 44 22.653 -4.723 11.178 1.00 10.00 H new ATOM 0 HA ALA B 44 22.659 -5.342 13.978 1.00 10.00 H new ATOM 0 HB1 ALA B 44 20.322 -6.059 13.385 1.00 10.00 H new ATOM 0 HB2 ALA B 44 20.733 -4.552 12.532 1.00 10.00 H new ATOM 0 HB3 ALA B 44 20.778 -6.105 11.665 1.00 10.00 H new ATOM 1479 N ARG B 45 22.278 -8.010 12.111 1.00 10.00 N ATOM 1480 CA ARG B 45 22.501 -9.475 12.110 1.00 10.00 C ATOM 1481 C ARG B 45 23.918 -9.803 12.591 1.00 10.00 C ATOM 1482 O ARG B 45 24.770 -8.941 12.678 1.00 10.00 O ATOM 1483 CB ARG B 45 22.313 -9.905 10.656 1.00 10.00 C ATOM 1484 CG ARG B 45 21.646 -11.281 10.612 1.00 10.00 C ATOM 1485 CD ARG B 45 20.366 -11.203 9.778 1.00 10.00 C ATOM 1486 NE ARG B 45 19.842 -12.596 9.752 1.00 10.00 N ATOM 1487 CZ ARG B 45 18.558 -12.808 9.656 1.00 10.00 C ATOM 1488 NH1 ARG B 45 17.935 -12.544 8.541 1.00 10.00 N ATOM 1489 NH2 ARG B 45 17.897 -13.281 10.677 1.00 10.00 N ATOM 0 H ARG B 45 21.763 -7.651 11.307 1.00 10.00 H new ATOM 0 HA ARG B 45 21.816 -9.994 12.780 1.00 10.00 H new ATOM 0 HB2 ARG B 45 21.701 -9.175 10.126 1.00 10.00 H new ATOM 0 HB3 ARG B 45 23.277 -9.940 10.149 1.00 10.00 H new ATOM 0 HG2 ARG B 45 22.329 -12.014 10.182 1.00 10.00 H new ATOM 0 HG3 ARG B 45 21.414 -11.617 11.623 1.00 10.00 H new ATOM 0 HD2 ARG B 45 19.645 -10.518 10.224 1.00 10.00 H new ATOM 0 HD3 ARG B 45 20.572 -10.839 8.771 1.00 10.00 H new ATOM 0 HE ARG B 45 20.486 -13.385 9.809 1.00 10.00 H new ATOM 0 HH11 ARG B 45 18.451 -12.172 7.744 1.00 10.00 H new ATOM 0 HH12 ARG B 45 16.931 -12.710 8.466 1.00 10.00 H new ATOM 0 HH21 ARG B 45 18.384 -13.485 11.550 1.00 10.00 H new ATOM 0 HH22 ARG B 45 16.893 -13.447 10.602 1.00 10.00 H new ATOM 1503 N ARG B 46 24.177 -11.044 12.901 1.00 10.00 N ATOM 1504 CA ARG B 46 25.539 -11.427 13.373 1.00 10.00 C ATOM 1505 C ARG B 46 25.952 -10.556 14.563 1.00 10.00 C ATOM 1506 O ARG B 46 26.670 -9.593 14.347 1.00 10.00 O ATOM 1507 CB ARG B 46 26.459 -11.173 12.179 1.00 10.00 C ATOM 1508 CG ARG B 46 27.911 -11.426 12.590 1.00 10.00 C ATOM 1509 CD ARG B 46 28.596 -12.299 11.535 1.00 10.00 C ATOM 1510 NE ARG B 46 27.722 -13.498 11.402 1.00 10.00 N ATOM 1511 CZ ARG B 46 27.957 -14.376 10.466 1.00 10.00 C ATOM 1512 NH1 ARG B 46 28.874 -15.288 10.641 1.00 10.00 N ATOM 1513 NH2 ARG B 46 27.275 -14.342 9.353 1.00 10.00 N ATOM 1514 OXT ARG B 46 25.543 -10.866 15.669 1.00 10.00 O ATOM 0 H ARG B 46 23.505 -11.809 12.848 1.00 10.00 H new ATOM 0 HA ARG B 46 25.583 -12.463 13.708 1.00 10.00 H new ATOM 0 HB2 ARG B 46 26.185 -11.826 11.350 1.00 10.00 H new ATOM 0 HB3 ARG B 46 26.343 -10.147 11.828 1.00 10.00 H new ATOM 0 HG2 ARG B 46 28.441 -10.479 12.694 1.00 10.00 H new ATOM 0 HG3 ARG B 46 27.944 -11.918 13.562 1.00 10.00 H new ATOM 0 HD2 ARG B 46 28.689 -11.771 10.586 1.00 10.00 H new ATOM 0 HD3 ARG B 46 29.603 -12.577 11.846 1.00 10.00 H new ATOM 0 HE ARG B 46 26.940 -13.633 12.043 1.00 10.00 H new ATOM 0 HH11 ARG B 46 29.407 -15.315 11.510 1.00 10.00 H new ATOM 0 HH12 ARG B 46 29.057 -15.974 9.909 1.00 10.00 H new ATOM 0 HH21 ARG B 46 26.559 -13.629 9.215 1.00 10.00 H new ATOM 0 HH22 ARG B 46 27.459 -15.028 8.621 1.00 10.00 H new TER 1528 ARG B 46