USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=12 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= -0.425 X(o=-0.42,f=-0.23) USER MOD Single : A 1 HIS N :NH3+ 177:sc= -0.127 (180deg=-0.146) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.308 K(o=-0.31,f=-1.8) USER MOD Single : A 6 GLN : amide:sc=-0.00309 X(o=-0.0031,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0096 USER MOD Single : A 16 GLN : amide:sc= -3.97! C(o=-4!,f=-7.7!) USER MOD Single : A 18 TYR OH : rot 152:sc= -5.52! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.82! C(o=-2.8!,f=-3.1!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.85 USER MOD Single : B 1 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.24) USER MOD Single : B 1 HIS N :NH3+ 176:sc= -0.128 (180deg=-0.155) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 HIS : no HD1:sc= -0.256 K(o=-0.26,f=-1.6) USER MOD Single : B 6 GLN : amide:sc=-0.00577 X(o=-0.0058,f=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : B 16 GLN : amide:sc= -3.93! C(o=-3.9!,f=-7.4!) USER MOD Single : B 18 TYR OH : rot 150:sc= -5.5! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= -2.78! C(o=-2.8!,f=-3!) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 180:sc= -1.86 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 1.723 3.446 13.774 1.00 10.00 N ATOM 2 CA HIS A 1 1.781 3.817 15.218 1.00 10.00 C ATOM 3 C HIS A 1 2.092 5.308 15.373 1.00 10.00 C ATOM 4 O HIS A 1 2.341 5.791 16.460 1.00 10.00 O ATOM 5 CB HIS A 1 2.916 2.973 15.797 1.00 10.00 C ATOM 6 CG HIS A 1 2.340 1.783 16.511 1.00 10.00 C ATOM 7 ND1 HIS A 1 3.054 0.607 16.685 1.00 10.00 N ATOM 8 CD2 HIS A 1 1.119 1.570 17.104 1.00 10.00 C ATOM 9 CE1 HIS A 1 2.265 -0.251 17.357 1.00 10.00 C ATOM 10 NE2 HIS A 1 1.074 0.285 17.637 1.00 10.00 N ATOM 0 H1 HIS A 1 1.562 2.422 13.685 1.00 10.00 H new ATOM 0 H2 HIS A 1 0.945 3.961 13.314 1.00 10.00 H new ATOM 0 H3 HIS A 1 2.622 3.696 13.315 1.00 10.00 H new ATOM 0 HA HIS A 1 0.834 3.636 15.727 1.00 10.00 H new ATOM 0 HB2 HIS A 1 3.583 2.645 15.000 1.00 10.00 H new ATOM 0 HB3 HIS A 1 3.513 3.570 16.486 1.00 10.00 H new ATOM 0 HD2 HIS A 1 0.316 2.291 17.150 1.00 10.00 H new ATOM 0 HE1 HIS A 1 2.559 -1.252 17.636 1.00 10.00 H new ATOM 0 HE2 HIS A 1 0.299 -0.153 18.134 1.00 10.00 H new ATOM 20 N MET A 2 2.079 6.042 14.295 1.00 10.00 N ATOM 21 CA MET A 2 2.375 7.501 14.381 1.00 10.00 C ATOM 22 C MET A 2 1.118 8.312 14.049 1.00 10.00 C ATOM 23 O MET A 2 1.002 8.886 12.985 1.00 10.00 O ATOM 24 CB MET A 2 3.463 7.747 13.336 1.00 10.00 C ATOM 25 CG MET A 2 4.731 8.258 14.024 1.00 10.00 C ATOM 26 SD MET A 2 5.670 6.854 14.679 1.00 10.00 S ATOM 27 CE MET A 2 6.643 7.779 15.893 1.00 10.00 C ATOM 0 H MET A 2 1.876 5.695 13.357 1.00 10.00 H new ATOM 0 HA MET A 2 2.695 7.801 15.379 1.00 10.00 H new ATOM 0 HB2 MET A 2 3.677 6.825 12.795 1.00 10.00 H new ATOM 0 HB3 MET A 2 3.118 8.474 12.601 1.00 10.00 H new ATOM 0 HG2 MET A 2 5.341 8.819 13.316 1.00 10.00 H new ATOM 0 HG3 MET A 2 4.469 8.942 14.831 1.00 10.00 H new ATOM 0 HE1 MET A 2 7.306 7.096 16.425 1.00 10.00 H new ATOM 0 HE2 MET A 2 7.237 8.537 15.382 1.00 10.00 H new ATOM 0 HE3 MET A 2 5.973 8.262 16.604 1.00 10.00 H new ATOM 37 N GLY A 3 0.177 8.365 14.953 1.00 10.00 N ATOM 38 CA GLY A 3 -1.068 9.137 14.685 1.00 10.00 C ATOM 39 C GLY A 3 -1.552 8.854 13.262 1.00 10.00 C ATOM 40 O GLY A 3 -1.353 7.779 12.730 1.00 10.00 O ATOM 0 H GLY A 3 0.217 7.907 15.864 1.00 10.00 H new ATOM 0 HA2 GLY A 3 -1.840 8.862 15.404 1.00 10.00 H new ATOM 0 HA3 GLY A 3 -0.881 10.203 14.811 1.00 10.00 H new ATOM 44 N HIS A 4 -2.184 9.810 12.639 1.00 10.00 N ATOM 45 CA HIS A 4 -2.680 9.596 11.249 1.00 10.00 C ATOM 46 C HIS A 4 -1.818 10.377 10.254 1.00 10.00 C ATOM 47 O HIS A 4 -1.497 11.530 10.466 1.00 10.00 O ATOM 48 CB HIS A 4 -4.110 10.132 11.251 1.00 10.00 C ATOM 49 CG HIS A 4 -4.964 9.284 12.155 1.00 10.00 C ATOM 50 ND1 HIS A 4 -4.519 8.077 12.672 1.00 10.00 N ATOM 51 CD2 HIS A 4 -6.235 9.456 12.643 1.00 10.00 C ATOM 52 CE1 HIS A 4 -5.508 7.573 13.434 1.00 10.00 C ATOM 53 NE2 HIS A 4 -6.577 8.374 13.450 1.00 10.00 N ATOM 0 H HIS A 4 -2.379 10.731 13.032 1.00 10.00 H new ATOM 0 HA HIS A 4 -2.638 8.548 10.953 1.00 10.00 H new ATOM 0 HB2 HIS A 4 -4.121 11.168 11.590 1.00 10.00 H new ATOM 0 HB3 HIS A 4 -4.514 10.124 10.239 1.00 10.00 H new ATOM 0 HD2 HIS A 4 -6.873 10.302 12.433 1.00 10.00 H new ATOM 0 HE1 HIS A 4 -5.445 6.636 13.967 1.00 10.00 H new ATOM 0 HE2 HIS A 4 -7.455 8.225 13.947 1.00 10.00 H new ATOM 61 N ILE A 5 -1.441 9.758 9.169 1.00 10.00 N ATOM 62 CA ILE A 5 -0.602 10.466 8.160 1.00 10.00 C ATOM 63 C ILE A 5 -0.857 9.885 6.766 1.00 10.00 C ATOM 64 O ILE A 5 -1.492 8.860 6.617 1.00 10.00 O ATOM 65 CB ILE A 5 0.841 10.211 8.602 1.00 10.00 C ATOM 66 CG1 ILE A 5 1.271 11.304 9.582 1.00 10.00 C ATOM 67 CG2 ILE A 5 1.768 10.228 7.385 1.00 10.00 C ATOM 68 CD1 ILE A 5 1.243 10.751 11.007 1.00 10.00 C ATOM 0 H ILE A 5 -1.677 8.793 8.937 1.00 10.00 H new ATOM 0 HA ILE A 5 -0.825 11.531 8.102 1.00 10.00 H new ATOM 0 HB ILE A 5 0.902 9.236 9.086 1.00 10.00 H new ATOM 0 HG12 ILE A 5 2.274 11.654 9.336 1.00 10.00 H new ATOM 0 HG13 ILE A 5 0.605 12.163 9.501 1.00 10.00 H new ATOM 0 HG21 ILE A 5 2.794 10.046 7.706 1.00 10.00 H new ATOM 0 HG22 ILE A 5 1.464 9.450 6.685 1.00 10.00 H new ATOM 0 HG23 ILE A 5 1.708 11.200 6.896 1.00 10.00 H new ATOM 0 HD11 ILE A 5 1.549 11.530 11.706 1.00 10.00 H new ATOM 0 HD12 ILE A 5 0.232 10.423 11.250 1.00 10.00 H new ATOM 0 HD13 ILE A 5 1.927 9.906 11.083 1.00 10.00 H new ATOM 80 N GLN A 6 -0.366 10.531 5.746 1.00 10.00 N ATOM 81 CA GLN A 6 -0.582 10.015 4.363 1.00 10.00 C ATOM 82 C GLN A 6 0.746 9.965 3.603 1.00 10.00 C ATOM 83 O GLN A 6 1.333 10.983 3.295 1.00 10.00 O ATOM 84 CB GLN A 6 -1.535 11.018 3.713 1.00 10.00 C ATOM 85 CG GLN A 6 -2.962 10.465 3.750 1.00 10.00 C ATOM 86 CD GLN A 6 -3.954 11.623 3.865 1.00 10.00 C ATOM 87 OE1 GLN A 6 -4.659 11.932 2.923 1.00 10.00 O ATOM 88 NE2 GLN A 6 -4.042 12.283 4.988 1.00 10.00 N ATOM 0 H GLN A 6 0.175 11.393 5.808 1.00 10.00 H new ATOM 0 HA GLN A 6 -0.988 9.003 4.357 1.00 10.00 H new ATOM 0 HB2 GLN A 6 -1.490 11.972 4.239 1.00 10.00 H new ATOM 0 HB3 GLN A 6 -1.234 11.207 2.683 1.00 10.00 H new ATOM 0 HG2 GLN A 6 -3.163 9.888 2.848 1.00 10.00 H new ATOM 0 HG3 GLN A 6 -3.079 9.787 4.595 1.00 10.00 H new ATOM 0 HE21 GLN A 6 -3.452 12.025 5.779 1.00 10.00 H new ATOM 0 HE22 GLN A 6 -4.701 13.057 5.075 1.00 10.00 H new ATOM 97 N ILE A 7 1.224 8.790 3.297 1.00 10.00 N ATOM 98 CA ILE A 7 2.512 8.679 2.556 1.00 10.00 C ATOM 99 C ILE A 7 2.443 9.486 1.256 1.00 10.00 C ATOM 100 O ILE A 7 1.570 9.273 0.437 1.00 10.00 O ATOM 101 CB ILE A 7 2.669 7.184 2.261 1.00 10.00 C ATOM 102 CG1 ILE A 7 3.349 6.500 3.449 1.00 10.00 C ATOM 103 CG2 ILE A 7 3.526 6.990 1.008 1.00 10.00 C ATOM 104 CD1 ILE A 7 2.699 6.971 4.753 1.00 10.00 C ATOM 0 H ILE A 7 0.778 7.902 3.528 1.00 10.00 H new ATOM 0 HA ILE A 7 3.355 9.071 3.125 1.00 10.00 H new ATOM 0 HB ILE A 7 1.685 6.745 2.097 1.00 10.00 H new ATOM 0 HG12 ILE A 7 3.261 5.417 3.357 1.00 10.00 H new ATOM 0 HG13 ILE A 7 4.414 6.734 3.456 1.00 10.00 H new ATOM 0 HG21 ILE A 7 3.635 5.925 0.803 1.00 10.00 H new ATOM 0 HG22 ILE A 7 3.045 7.476 0.159 1.00 10.00 H new ATOM 0 HG23 ILE A 7 4.510 7.431 1.168 1.00 10.00 H new ATOM 0 HD11 ILE A 7 3.184 6.483 5.598 1.00 10.00 H new ATOM 0 HD12 ILE A 7 2.810 8.051 4.845 1.00 10.00 H new ATOM 0 HD13 ILE A 7 1.640 6.714 4.745 1.00 10.00 H new ATOM 116 N PRO A 8 3.372 10.393 1.111 1.00 10.00 N ATOM 117 CA PRO A 8 3.425 11.248 -0.099 1.00 10.00 C ATOM 118 C PRO A 8 3.867 10.435 -1.319 1.00 10.00 C ATOM 119 O PRO A 8 4.448 9.378 -1.182 1.00 10.00 O ATOM 120 CB PRO A 8 4.460 12.307 0.251 1.00 10.00 C ATOM 121 CG PRO A 8 5.320 11.666 1.284 1.00 10.00 C ATOM 122 CD PRO A 8 4.450 10.707 2.051 1.00 10.00 C ATOM 0 HA PRO A 8 2.456 11.675 -0.358 1.00 10.00 H new ATOM 0 HB2 PRO A 8 5.041 12.597 -0.624 1.00 10.00 H new ATOM 0 HB3 PRO A 8 3.988 13.211 0.634 1.00 10.00 H new ATOM 0 HG2 PRO A 8 6.155 11.141 0.819 1.00 10.00 H new ATOM 0 HG3 PRO A 8 5.746 12.416 1.950 1.00 10.00 H new ATOM 0 HD2 PRO A 8 5.000 9.813 2.343 1.00 10.00 H new ATOM 0 HD3 PRO A 8 4.066 11.158 2.966 1.00 10.00 H new ATOM 130 N PRO A 9 3.575 10.963 -2.475 1.00 10.00 N ATOM 131 CA PRO A 9 3.949 10.282 -3.739 1.00 10.00 C ATOM 132 C PRO A 9 5.457 10.389 -3.973 1.00 10.00 C ATOM 133 O PRO A 9 6.175 10.980 -3.191 1.00 10.00 O ATOM 134 CB PRO A 9 3.176 11.053 -4.804 1.00 10.00 C ATOM 135 CG PRO A 9 2.944 12.407 -4.210 1.00 10.00 C ATOM 136 CD PRO A 9 2.876 12.230 -2.715 1.00 10.00 C ATOM 0 HA PRO A 9 3.716 9.217 -3.740 1.00 10.00 H new ATOM 0 HB2 PRO A 9 3.744 11.121 -5.732 1.00 10.00 H new ATOM 0 HB3 PRO A 9 2.234 10.560 -5.042 1.00 10.00 H new ATOM 0 HG2 PRO A 9 3.750 13.089 -4.481 1.00 10.00 H new ATOM 0 HG3 PRO A 9 2.018 12.840 -4.589 1.00 10.00 H new ATOM 0 HD2 PRO A 9 3.358 13.057 -2.193 1.00 10.00 H new ATOM 0 HD3 PRO A 9 1.845 12.189 -2.364 1.00 10.00 H new ATOM 144 N GLY A 10 5.944 9.818 -5.040 1.00 10.00 N ATOM 145 CA GLY A 10 7.406 9.885 -5.316 1.00 10.00 C ATOM 146 C GLY A 10 8.124 8.802 -4.508 1.00 10.00 C ATOM 147 O GLY A 10 9.000 8.122 -5.004 1.00 10.00 O ATOM 0 H GLY A 10 5.394 9.309 -5.731 1.00 10.00 H new ATOM 0 HA2 GLY A 10 7.593 9.745 -6.381 1.00 10.00 H new ATOM 0 HA3 GLY A 10 7.793 10.869 -5.051 1.00 10.00 H new ATOM 151 N LEU A 11 7.757 8.635 -3.266 1.00 10.00 N ATOM 152 CA LEU A 11 8.415 7.592 -2.429 1.00 10.00 C ATOM 153 C LEU A 11 7.978 6.201 -2.889 1.00 10.00 C ATOM 154 O LEU A 11 8.792 5.345 -3.174 1.00 10.00 O ATOM 155 CB LEU A 11 7.935 7.865 -1.001 1.00 10.00 C ATOM 156 CG LEU A 11 8.584 6.872 -0.030 1.00 10.00 C ATOM 157 CD1 LEU A 11 7.743 5.596 0.037 1.00 10.00 C ATOM 158 CD2 LEU A 11 9.997 6.524 -0.510 1.00 10.00 C ATOM 0 H LEU A 11 7.031 9.175 -2.796 1.00 10.00 H new ATOM 0 HA LEU A 11 9.502 7.625 -2.502 1.00 10.00 H new ATOM 0 HB2 LEU A 11 8.187 8.886 -0.713 1.00 10.00 H new ATOM 0 HB3 LEU A 11 6.850 7.779 -0.951 1.00 10.00 H new ATOM 0 HG LEU A 11 8.640 7.325 0.960 1.00 10.00 H new ATOM 0 HD11 LEU A 11 8.206 4.891 0.728 1.00 10.00 H new ATOM 0 HD12 LEU A 11 6.739 5.840 0.385 1.00 10.00 H new ATOM 0 HD13 LEU A 11 7.684 5.147 -0.954 1.00 10.00 H new ATOM 0 HD21 LEU A 11 10.453 5.818 0.184 1.00 10.00 H new ATOM 0 HD22 LEU A 11 9.944 6.075 -1.502 1.00 10.00 H new ATOM 0 HD23 LEU A 11 10.600 7.431 -0.554 1.00 10.00 H new ATOM 170 N THR A 12 6.695 5.970 -2.971 1.00 10.00 N ATOM 171 CA THR A 12 6.209 4.636 -3.418 1.00 10.00 C ATOM 172 C THR A 12 7.006 4.169 -4.633 1.00 10.00 C ATOM 173 O THR A 12 7.510 3.067 -4.675 1.00 10.00 O ATOM 174 CB THR A 12 4.739 4.850 -3.786 1.00 10.00 C ATOM 175 OG1 THR A 12 4.047 5.389 -2.668 1.00 10.00 O ATOM 176 CG2 THR A 12 4.110 3.514 -4.183 1.00 10.00 C ATOM 0 H THR A 12 5.965 6.647 -2.748 1.00 10.00 H new ATOM 0 HA THR A 12 6.326 3.873 -2.649 1.00 10.00 H new ATOM 0 HB THR A 12 4.671 5.543 -4.625 1.00 10.00 H new ATOM 0 HG1 THR A 12 3.106 5.528 -2.902 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.063 3.668 -4.445 1.00 10.00 H new ATOM 0 HG22 THR A 12 4.642 3.102 -5.041 1.00 10.00 H new ATOM 0 HG23 THR A 12 4.176 2.818 -3.347 1.00 10.00 H new ATOM 184 N GLU A 13 7.125 5.008 -5.621 1.00 10.00 N ATOM 185 CA GLU A 13 7.892 4.627 -6.843 1.00 10.00 C ATOM 186 C GLU A 13 9.142 3.828 -6.459 1.00 10.00 C ATOM 187 O GLU A 13 9.315 2.696 -6.864 1.00 10.00 O ATOM 188 CB GLU A 13 8.284 5.954 -7.492 1.00 10.00 C ATOM 189 CG GLU A 13 8.124 5.847 -9.010 1.00 10.00 C ATOM 190 CD GLU A 13 6.681 6.176 -9.396 1.00 10.00 C ATOM 191 OE1 GLU A 13 5.917 6.523 -8.512 1.00 10.00 O ATOM 192 OE2 GLU A 13 6.366 6.076 -10.570 1.00 10.00 O ATOM 0 H GLU A 13 6.724 5.946 -5.638 1.00 10.00 H new ATOM 0 HA GLU A 13 7.309 3.998 -7.516 1.00 10.00 H new ATOM 0 HB2 GLU A 13 7.658 6.759 -7.106 1.00 10.00 H new ATOM 0 HB3 GLU A 13 9.315 6.203 -7.241 1.00 10.00 H new ATOM 0 HG2 GLU A 13 8.810 6.532 -9.508 1.00 10.00 H new ATOM 0 HG3 GLU A 13 8.380 4.841 -9.343 1.00 10.00 H new ATOM 199 N LEU A 14 10.011 4.410 -5.680 1.00 10.00 N ATOM 200 CA LEU A 14 11.248 3.684 -5.268 1.00 10.00 C ATOM 201 C LEU A 14 10.883 2.360 -4.590 1.00 10.00 C ATOM 202 O LEU A 14 11.234 1.293 -5.055 1.00 10.00 O ATOM 203 CB LEU A 14 11.942 4.619 -4.276 1.00 10.00 C ATOM 204 CG LEU A 14 13.100 5.335 -4.971 1.00 10.00 C ATOM 205 CD1 LEU A 14 14.029 4.303 -5.611 1.00 10.00 C ATOM 206 CD2 LEU A 14 12.546 6.263 -6.056 1.00 10.00 C ATOM 0 H LEU A 14 9.919 5.356 -5.310 1.00 10.00 H new ATOM 0 HA LEU A 14 11.887 3.441 -6.117 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.230 5.348 -3.889 1.00 10.00 H new ATOM 0 HB3 LEU A 14 12.312 4.051 -3.423 1.00 10.00 H new ATOM 0 HG LEU A 14 13.657 5.920 -4.239 1.00 10.00 H new ATOM 0 HD11 LEU A 14 14.854 4.814 -6.106 1.00 10.00 H new ATOM 0 HD12 LEU A 14 14.423 3.640 -4.840 1.00 10.00 H new ATOM 0 HD13 LEU A 14 13.473 3.718 -6.343 1.00 10.00 H new ATOM 0 HD21 LEU A 14 13.370 6.775 -6.553 1.00 10.00 H new ATOM 0 HD22 LEU A 14 11.990 5.676 -6.787 1.00 10.00 H new ATOM 0 HD23 LEU A 14 11.883 6.999 -5.601 1.00 10.00 H new ATOM 218 N LEU A 15 10.182 2.422 -3.490 1.00 10.00 N ATOM 219 CA LEU A 15 9.796 1.170 -2.779 1.00 10.00 C ATOM 220 C LEU A 15 9.059 0.225 -3.730 1.00 10.00 C ATOM 221 O LEU A 15 9.482 -0.892 -3.953 1.00 10.00 O ATOM 222 CB LEU A 15 8.876 1.625 -1.645 1.00 10.00 C ATOM 223 CG LEU A 15 9.697 1.824 -0.369 1.00 10.00 C ATOM 224 CD1 LEU A 15 10.901 2.723 -0.663 1.00 10.00 C ATOM 225 CD2 LEU A 15 8.821 2.481 0.699 1.00 10.00 C ATOM 0 H LEU A 15 9.860 3.286 -3.053 1.00 10.00 H new ATOM 0 HA LEU A 15 10.662 0.624 -2.404 1.00 10.00 H new ATOM 0 HB2 LEU A 15 8.378 2.555 -1.918 1.00 10.00 H new ATOM 0 HB3 LEU A 15 8.096 0.883 -1.476 1.00 10.00 H new ATOM 0 HG LEU A 15 10.049 0.856 -0.011 1.00 10.00 H new ATOM 0 HD11 LEU A 15 11.483 2.862 0.248 1.00 10.00 H new ATOM 0 HD12 LEU A 15 11.526 2.257 -1.425 1.00 10.00 H new ATOM 0 HD13 LEU A 15 10.553 3.691 -1.022 1.00 10.00 H new ATOM 0 HD21 LEU A 15 9.403 2.624 1.609 1.00 10.00 H new ATOM 0 HD22 LEU A 15 8.469 3.447 0.337 1.00 10.00 H new ATOM 0 HD23 LEU A 15 7.965 1.840 0.912 1.00 10.00 H new ATOM 237 N GLN A 16 7.963 0.659 -4.295 1.00 10.00 N ATOM 238 CA GLN A 16 7.215 -0.225 -5.233 1.00 10.00 C ATOM 239 C GLN A 16 8.201 -0.987 -6.117 1.00 10.00 C ATOM 240 O GLN A 16 8.164 -2.199 -6.202 1.00 10.00 O ATOM 241 CB GLN A 16 6.354 0.714 -6.079 1.00 10.00 C ATOM 242 CG GLN A 16 4.935 0.148 -6.201 1.00 10.00 C ATOM 243 CD GLN A 16 4.987 -1.380 -6.271 1.00 10.00 C ATOM 244 OE1 GLN A 16 5.696 -1.939 -7.085 1.00 10.00 O ATOM 245 NE2 GLN A 16 4.259 -2.084 -5.448 1.00 10.00 N ATOM 0 H GLN A 16 7.556 1.583 -4.148 1.00 10.00 H new ATOM 0 HA GLN A 16 6.607 -0.963 -4.710 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.323 1.703 -5.623 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.794 0.833 -7.069 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.335 0.461 -5.347 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.451 0.545 -7.093 1.00 10.00 H new ATOM 0 HE21 GLN A 16 3.664 -1.615 -4.765 1.00 10.00 H new ATOM 0 HE22 GLN A 16 4.285 -3.103 -5.488 1.00 10.00 H new ATOM 254 N GLY A 17 9.092 -0.287 -6.768 1.00 10.00 N ATOM 255 CA GLY A 17 10.090 -0.974 -7.635 1.00 10.00 C ATOM 256 C GLY A 17 10.572 -2.235 -6.923 1.00 10.00 C ATOM 257 O GLY A 17 10.492 -3.328 -7.448 1.00 10.00 O ATOM 0 H GLY A 17 9.171 0.729 -6.736 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.643 -1.230 -8.596 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.931 -0.312 -7.841 1.00 10.00 H new ATOM 261 N TYR A 18 11.063 -2.095 -5.722 1.00 10.00 N ATOM 262 CA TYR A 18 11.537 -3.286 -4.972 1.00 10.00 C ATOM 263 C TYR A 18 10.503 -4.413 -5.068 1.00 10.00 C ATOM 264 O TYR A 18 10.752 -5.450 -5.648 1.00 10.00 O ATOM 265 CB TYR A 18 11.677 -2.810 -3.530 1.00 10.00 C ATOM 266 CG TYR A 18 12.853 -3.509 -2.910 1.00 10.00 C ATOM 267 CD1 TYR A 18 14.087 -3.493 -3.562 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.709 -4.181 -1.693 1.00 10.00 C ATOM 269 CE1 TYR A 18 15.186 -4.150 -2.997 1.00 10.00 C ATOM 270 CE2 TYR A 18 13.804 -4.840 -1.126 1.00 10.00 C ATOM 271 CZ TYR A 18 15.044 -4.825 -1.778 1.00 10.00 C ATOM 272 OH TYR A 18 16.123 -5.477 -1.220 1.00 10.00 O ATOM 0 H TYR A 18 11.155 -1.206 -5.230 1.00 10.00 H new ATOM 0 HA TYR A 18 12.475 -3.680 -5.365 1.00 10.00 H new ATOM 0 HB2 TYR A 18 11.819 -1.730 -3.500 1.00 10.00 H new ATOM 0 HB3 TYR A 18 10.768 -3.028 -2.969 1.00 10.00 H new ATOM 0 HD1 TYR A 18 14.194 -2.973 -4.503 1.00 10.00 H new ATOM 0 HD2 TYR A 18 11.753 -4.191 -1.191 1.00 10.00 H new ATOM 0 HE1 TYR A 18 16.142 -4.137 -3.500 1.00 10.00 H new ATOM 0 HE2 TYR A 18 13.694 -5.360 -0.186 1.00 10.00 H new ATOM 0 HH TYR A 18 16.022 -5.502 -0.246 1.00 10.00 H new ATOM 282 N THR A 19 9.344 -4.212 -4.502 1.00 10.00 N ATOM 283 CA THR A 19 8.289 -5.264 -4.558 1.00 10.00 C ATOM 284 C THR A 19 8.228 -5.874 -5.962 1.00 10.00 C ATOM 285 O THR A 19 8.019 -7.060 -6.122 1.00 10.00 O ATOM 286 CB THR A 19 6.988 -4.527 -4.229 1.00 10.00 C ATOM 287 OG1 THR A 19 6.818 -4.482 -2.821 1.00 10.00 O ATOM 288 CG2 THR A 19 5.802 -5.258 -4.863 1.00 10.00 C ATOM 0 H THR A 19 9.082 -3.363 -4.002 1.00 10.00 H new ATOM 0 HA THR A 19 8.478 -6.085 -3.867 1.00 10.00 H new ATOM 0 HB THR A 19 7.037 -3.513 -4.626 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.987 -4.009 -2.607 1.00 10.00 H new ATOM 0 HG21 THR A 19 4.879 -4.729 -4.625 1.00 10.00 H new ATOM 0 HG22 THR A 19 5.932 -5.293 -5.945 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.749 -6.274 -4.471 1.00 10.00 H new ATOM 296 N VAL A 20 8.406 -5.074 -6.976 1.00 10.00 N ATOM 297 CA VAL A 20 8.354 -5.610 -8.367 1.00 10.00 C ATOM 298 C VAL A 20 9.589 -6.472 -8.649 1.00 10.00 C ATOM 299 O VAL A 20 9.561 -7.360 -9.479 1.00 10.00 O ATOM 300 CB VAL A 20 8.341 -4.376 -9.268 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.188 -4.813 -10.726 1.00 10.00 C ATOM 302 CG2 VAL A 20 7.165 -3.475 -8.881 1.00 10.00 C ATOM 0 H VAL A 20 8.585 -4.073 -6.903 1.00 10.00 H new ATOM 0 HA VAL A 20 7.482 -6.243 -8.533 1.00 10.00 H new ATOM 0 HB VAL A 20 9.275 -3.827 -9.148 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.179 -3.934 -11.370 1.00 10.00 H new ATOM 0 HG12 VAL A 20 9.023 -5.457 -11.003 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.253 -5.360 -10.846 1.00 10.00 H new ATOM 0 HG21 VAL A 20 7.155 -2.594 -9.523 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.231 -4.024 -9.002 1.00 10.00 H new ATOM 0 HG23 VAL A 20 7.271 -3.165 -7.841 1.00 10.00 H new ATOM 312 N GLU A 21 10.670 -6.226 -7.960 1.00 10.00 N ATOM 313 CA GLU A 21 11.900 -7.042 -8.192 1.00 10.00 C ATOM 314 C GLU A 21 11.873 -8.269 -7.285 1.00 10.00 C ATOM 315 O GLU A 21 11.958 -9.396 -7.732 1.00 10.00 O ATOM 316 CB GLU A 21 13.087 -6.147 -7.823 1.00 10.00 C ATOM 317 CG GLU A 21 12.659 -4.686 -7.835 1.00 10.00 C ATOM 318 CD GLU A 21 13.872 -3.796 -8.114 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.894 -4.331 -8.512 1.00 10.00 O ATOM 320 OE2 GLU A 21 13.758 -2.597 -7.926 1.00 10.00 O ATOM 0 H GLU A 21 10.757 -5.499 -7.249 1.00 10.00 H new ATOM 0 HA GLU A 21 11.969 -7.382 -9.225 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.464 -6.416 -6.836 1.00 10.00 H new ATOM 0 HB3 GLU A 21 13.903 -6.302 -8.529 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.896 -4.527 -8.597 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.213 -4.420 -6.877 1.00 10.00 H new ATOM 327 N VAL A 22 11.751 -8.049 -6.007 1.00 10.00 N ATOM 328 CA VAL A 22 11.712 -9.183 -5.047 1.00 10.00 C ATOM 329 C VAL A 22 10.677 -10.217 -5.498 1.00 10.00 C ATOM 330 O VAL A 22 10.742 -11.374 -5.134 1.00 10.00 O ATOM 331 CB VAL A 22 11.302 -8.548 -3.721 1.00 10.00 C ATOM 332 CG1 VAL A 22 11.505 -9.552 -2.592 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.164 -7.312 -3.459 1.00 10.00 C ATOM 0 H VAL A 22 11.676 -7.124 -5.584 1.00 10.00 H new ATOM 0 HA VAL A 22 12.666 -9.706 -4.973 1.00 10.00 H new ATOM 0 HB VAL A 22 10.252 -8.258 -3.768 1.00 10.00 H new ATOM 0 HG11 VAL A 22 11.212 -9.099 -1.645 1.00 10.00 H new ATOM 0 HG12 VAL A 22 10.893 -10.435 -2.776 1.00 10.00 H new ATOM 0 HG13 VAL A 22 12.555 -9.841 -2.547 1.00 10.00 H new ATOM 0 HG21 VAL A 22 11.871 -6.858 -2.512 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.213 -7.603 -3.413 1.00 10.00 H new ATOM 0 HG23 VAL A 22 12.023 -6.592 -4.265 1.00 10.00 H new ATOM 343 N LEU A 23A 9.723 -9.806 -6.287 1.00 10.00 N ATOM 344 CA LEU A 23A 8.682 -10.762 -6.763 1.00 10.00 C ATOM 345 C LEU A 23A 9.122 -11.414 -8.077 1.00 10.00 C ATOM 346 O LEU A 23A 8.867 -12.577 -8.319 1.00 10.00 O ATOM 347 CB LEU A 23A 7.433 -9.909 -6.986 1.00 10.00 C ATOM 348 CG LEU A 23A 6.445 -10.138 -5.842 1.00 10.00 C ATOM 349 CD1 LEU A 23A 7.047 -9.619 -4.535 1.00 10.00 C ATOM 350 CD2 LEU A 23A 5.147 -9.385 -6.136 1.00 10.00 C ATOM 0 H LEU A 23A 9.619 -8.849 -6.623 1.00 10.00 H new ATOM 0 HA LEU A 23A 8.507 -11.567 -6.050 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.705 -8.855 -7.040 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 6.969 -10.167 -7.938 1.00 10.00 H new ATOM 0 HG LEU A 23A 6.238 -11.204 -5.748 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 6.342 -9.782 -3.720 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 7.975 -10.151 -4.325 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 7.254 -8.553 -4.628 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 4.440 -9.546 -5.322 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 5.357 -8.319 -6.228 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 4.717 -9.752 -7.068 1.00 10.00 H new ATOM 362 N ARG A 24 9.771 -10.671 -8.931 1.00 10.00 N ATOM 363 CA ARG A 24 10.214 -11.247 -10.234 1.00 10.00 C ATOM 364 C ARG A 24 11.443 -12.146 -10.048 1.00 10.00 C ATOM 365 O ARG A 24 12.017 -12.626 -11.004 1.00 10.00 O ATOM 366 CB ARG A 24 10.564 -10.037 -11.101 1.00 10.00 C ATOM 367 CG ARG A 24 11.115 -10.517 -12.445 1.00 10.00 C ATOM 368 CD ARG A 24 10.318 -9.874 -13.583 1.00 10.00 C ATOM 369 NE ARG A 24 11.319 -9.612 -14.656 1.00 10.00 N ATOM 370 CZ ARG A 24 11.853 -10.608 -15.311 1.00 10.00 C ATOM 371 NH1 ARG A 24 11.510 -11.836 -15.031 1.00 10.00 N ATOM 372 NH2 ARG A 24 12.731 -10.373 -16.247 1.00 10.00 N ATOM 0 H ARG A 24 10.014 -9.691 -8.784 1.00 10.00 H new ATOM 0 HA ARG A 24 9.441 -11.870 -10.685 1.00 10.00 H new ATOM 0 HB2 ARG A 24 9.679 -9.420 -11.258 1.00 10.00 H new ATOM 0 HB3 ARG A 24 11.301 -9.414 -10.595 1.00 10.00 H new ATOM 0 HG2 ARG A 24 12.169 -10.255 -12.532 1.00 10.00 H new ATOM 0 HG3 ARG A 24 11.050 -11.603 -12.510 1.00 10.00 H new ATOM 0 HD2 ARG A 24 9.527 -10.537 -13.934 1.00 10.00 H new ATOM 0 HD3 ARG A 24 9.839 -8.951 -13.257 1.00 10.00 H new ATOM 0 HE ARG A 24 11.587 -8.654 -14.879 1.00 10.00 H new ATOM 0 HH11 ARG A 24 10.823 -12.020 -14.299 1.00 10.00 H new ATOM 0 HH12 ARG A 24 11.928 -12.612 -15.544 1.00 10.00 H new ATOM 0 HH21 ARG A 24 12.999 -9.413 -16.466 1.00 10.00 H new ATOM 0 HH22 ARG A 24 13.150 -11.149 -16.760 1.00 10.00 H new ATOM 386 N GLN A 25 11.854 -12.381 -8.831 1.00 10.00 N ATOM 387 CA GLN A 25 13.045 -13.252 -8.617 1.00 10.00 C ATOM 388 C GLN A 25 13.105 -13.755 -7.168 1.00 10.00 C ATOM 389 O GLN A 25 14.128 -14.232 -6.719 1.00 10.00 O ATOM 390 CB GLN A 25 14.250 -12.359 -8.936 1.00 10.00 C ATOM 391 CG GLN A 25 14.832 -11.781 -7.643 1.00 10.00 C ATOM 392 CD GLN A 25 15.730 -10.587 -7.975 1.00 10.00 C ATOM 393 OE1 GLN A 25 15.881 -10.227 -9.126 1.00 10.00 O ATOM 394 NE2 GLN A 25 16.337 -9.952 -7.010 1.00 10.00 N ATOM 0 H GLN A 25 11.422 -12.012 -7.984 1.00 10.00 H new ATOM 0 HA GLN A 25 13.017 -14.142 -9.246 1.00 10.00 H new ATOM 0 HB2 GLN A 25 15.011 -12.936 -9.461 1.00 10.00 H new ATOM 0 HB3 GLN A 25 13.948 -11.550 -9.601 1.00 10.00 H new ATOM 0 HG2 GLN A 25 14.027 -11.470 -6.977 1.00 10.00 H new ATOM 0 HG3 GLN A 25 15.404 -12.545 -7.116 1.00 10.00 H new ATOM 0 HE21 GLN A 25 16.211 -10.253 -6.043 1.00 10.00 H new ATOM 0 HE22 GLN A 25 16.937 -9.155 -7.222 1.00 10.00 H new ATOM 403 N GLN A 26 12.020 -13.656 -6.439 1.00 10.00 N ATOM 404 CA GLN A 26 12.012 -14.131 -5.018 1.00 10.00 C ATOM 405 C GLN A 26 13.441 -14.277 -4.485 1.00 10.00 C ATOM 406 O GLN A 26 13.961 -15.373 -4.393 1.00 10.00 O ATOM 407 CB GLN A 26 11.312 -15.491 -5.059 1.00 10.00 C ATOM 408 CG GLN A 26 9.999 -15.414 -4.277 1.00 10.00 C ATOM 409 CD GLN A 26 10.019 -16.436 -3.139 1.00 10.00 C ATOM 410 OE1 GLN A 26 10.881 -16.394 -2.283 1.00 10.00 O ATOM 411 NE2 GLN A 26 9.099 -17.361 -3.093 1.00 10.00 N ATOM 0 H GLN A 26 11.137 -13.266 -6.767 1.00 10.00 H new ATOM 0 HA GLN A 26 11.506 -13.428 -4.357 1.00 10.00 H new ATOM 0 HB2 GLN A 26 11.116 -15.780 -6.092 1.00 10.00 H new ATOM 0 HB3 GLN A 26 11.958 -16.257 -4.631 1.00 10.00 H new ATOM 0 HG2 GLN A 26 9.862 -14.410 -3.875 1.00 10.00 H new ATOM 0 HG3 GLN A 26 9.157 -15.610 -4.941 1.00 10.00 H new ATOM 0 HE21 GLN A 26 8.375 -17.397 -3.811 1.00 10.00 H new ATOM 0 HE22 GLN A 26 9.104 -18.048 -2.339 1.00 10.00 H new ATOM 420 N PRO A 27 14.031 -13.160 -4.158 1.00 10.00 N ATOM 421 CA PRO A 27 15.420 -13.155 -3.637 1.00 10.00 C ATOM 422 C PRO A 27 15.476 -13.773 -2.238 1.00 10.00 C ATOM 423 O PRO A 27 14.457 -13.999 -1.616 1.00 10.00 O ATOM 424 CB PRO A 27 15.781 -11.672 -3.596 1.00 10.00 C ATOM 425 CG PRO A 27 14.470 -10.964 -3.497 1.00 10.00 C ATOM 426 CD PRO A 27 13.471 -11.810 -4.240 1.00 10.00 C ATOM 0 HA PRO A 27 16.107 -13.740 -4.248 1.00 10.00 H new ATOM 0 HB2 PRO A 27 16.420 -11.444 -2.743 1.00 10.00 H new ATOM 0 HB3 PRO A 27 16.326 -11.372 -4.491 1.00 10.00 H new ATOM 0 HG2 PRO A 27 14.174 -10.839 -2.455 1.00 10.00 H new ATOM 0 HG3 PRO A 27 14.534 -9.967 -3.932 1.00 10.00 H new ATOM 0 HD2 PRO A 27 12.483 -11.758 -3.782 1.00 10.00 H new ATOM 0 HD3 PRO A 27 13.361 -11.484 -5.274 1.00 10.00 H new ATOM 434 N PRO A 28 16.677 -14.024 -1.790 1.00 10.00 N ATOM 435 CA PRO A 28 16.885 -14.623 -0.450 1.00 10.00 C ATOM 436 C PRO A 28 16.511 -13.624 0.647 1.00 10.00 C ATOM 437 O PRO A 28 15.745 -13.926 1.540 1.00 10.00 O ATOM 438 CB PRO A 28 18.381 -14.931 -0.423 1.00 10.00 C ATOM 439 CG PRO A 28 18.979 -13.986 -1.412 1.00 10.00 C ATOM 440 CD PRO A 28 17.943 -13.776 -2.482 1.00 10.00 C ATOM 0 HA PRO A 28 16.271 -15.506 -0.275 1.00 10.00 H new ATOM 0 HB2 PRO A 28 18.799 -14.780 0.572 1.00 10.00 H new ATOM 0 HB3 PRO A 28 18.577 -15.968 -0.697 1.00 10.00 H new ATOM 0 HG2 PRO A 28 19.242 -13.041 -0.936 1.00 10.00 H new ATOM 0 HG3 PRO A 28 19.896 -14.396 -1.835 1.00 10.00 H new ATOM 0 HD2 PRO A 28 17.986 -12.766 -2.889 1.00 10.00 H new ATOM 0 HD3 PRO A 28 18.084 -14.462 -3.317 1.00 10.00 H new ATOM 448 N ASP A 29 17.045 -12.435 0.586 1.00 10.00 N ATOM 449 CA ASP A 29 16.718 -11.418 1.625 1.00 10.00 C ATOM 450 C ASP A 29 16.825 -10.010 1.035 1.00 10.00 C ATOM 451 O ASP A 29 17.671 -9.737 0.206 1.00 10.00 O ATOM 452 CB ASP A 29 17.764 -11.619 2.723 1.00 10.00 C ATOM 453 CG ASP A 29 17.930 -13.114 3.005 1.00 10.00 C ATOM 454 OD1 ASP A 29 17.090 -13.661 3.698 1.00 10.00 O ATOM 455 OD2 ASP A 29 18.895 -13.684 2.523 1.00 10.00 O ATOM 0 H ASP A 29 17.693 -12.124 -0.138 1.00 10.00 H new ATOM 0 HA ASP A 29 15.703 -11.529 2.006 1.00 10.00 H new ATOM 0 HB2 ASP A 29 18.717 -11.189 2.415 1.00 10.00 H new ATOM 0 HB3 ASP A 29 17.458 -11.099 3.631 1.00 10.00 H new ATOM 460 N LEU A 30 15.978 -9.113 1.457 1.00 10.00 N ATOM 461 CA LEU A 30 16.039 -7.724 0.920 1.00 10.00 C ATOM 462 C LEU A 30 17.296 -7.030 1.444 1.00 10.00 C ATOM 463 O LEU A 30 18.061 -6.460 0.696 1.00 10.00 O ATOM 464 CB LEU A 30 14.787 -7.022 1.452 1.00 10.00 C ATOM 465 CG LEU A 30 13.516 -7.765 1.012 1.00 10.00 C ATOM 466 CD1 LEU A 30 13.764 -8.551 -0.281 1.00 10.00 C ATOM 467 CD2 LEU A 30 13.084 -8.729 2.121 1.00 10.00 C ATOM 0 H LEU A 30 15.248 -9.281 2.149 1.00 10.00 H new ATOM 0 HA LEU A 30 16.077 -7.704 -0.169 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.827 -6.973 2.540 1.00 10.00 H new ATOM 0 HB3 LEU A 30 14.758 -5.995 1.088 1.00 10.00 H new ATOM 0 HG LEU A 30 12.730 -7.033 0.826 1.00 10.00 H new ATOM 0 HD11 LEU A 30 12.850 -9.069 -0.573 1.00 10.00 H new ATOM 0 HD12 LEU A 30 14.061 -7.864 -1.073 1.00 10.00 H new ATOM 0 HD13 LEU A 30 14.558 -9.280 -0.117 1.00 10.00 H new ATOM 0 HD21 LEU A 30 12.182 -9.258 1.812 1.00 10.00 H new ATOM 0 HD22 LEU A 30 13.881 -9.449 2.308 1.00 10.00 H new ATOM 0 HD23 LEU A 30 12.881 -8.167 3.033 1.00 10.00 H new ATOM 479 N VAL A 31 17.509 -7.087 2.731 1.00 10.00 N ATOM 480 CA VAL A 31 18.714 -6.447 3.338 1.00 10.00 C ATOM 481 C VAL A 31 19.824 -6.293 2.303 1.00 10.00 C ATOM 482 O VAL A 31 20.122 -5.208 1.844 1.00 10.00 O ATOM 483 CB VAL A 31 19.145 -7.423 4.428 1.00 10.00 C ATOM 484 CG1 VAL A 31 20.466 -6.960 5.031 1.00 10.00 C ATOM 485 CG2 VAL A 31 18.069 -7.462 5.514 1.00 10.00 C ATOM 0 H VAL A 31 16.893 -7.555 3.396 1.00 10.00 H new ATOM 0 HA VAL A 31 18.504 -5.448 3.720 1.00 10.00 H new ATOM 0 HB VAL A 31 19.275 -8.419 4.004 1.00 10.00 H new ATOM 0 HG11 VAL A 31 20.775 -7.657 5.810 1.00 10.00 H new ATOM 0 HG12 VAL A 31 21.229 -6.925 4.253 1.00 10.00 H new ATOM 0 HG13 VAL A 31 20.341 -5.967 5.462 1.00 10.00 H new ATOM 0 HG21 VAL A 31 18.368 -8.158 6.298 1.00 10.00 H new ATOM 0 HG22 VAL A 31 17.946 -6.466 5.940 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.125 -7.790 5.079 1.00 10.00 H new ATOM 495 N ASP A 32 20.433 -7.379 1.930 1.00 10.00 N ATOM 496 CA ASP A 32 21.520 -7.317 0.921 1.00 10.00 C ATOM 497 C ASP A 32 20.970 -6.748 -0.393 1.00 10.00 C ATOM 498 O ASP A 32 21.427 -5.732 -0.879 1.00 10.00 O ATOM 499 CB ASP A 32 21.967 -8.774 0.773 1.00 10.00 C ATOM 500 CG ASP A 32 21.830 -9.231 -0.681 1.00 10.00 C ATOM 501 OD1 ASP A 32 22.598 -8.760 -1.503 1.00 10.00 O ATOM 502 OD2 ASP A 32 20.958 -10.042 -0.947 1.00 10.00 O ATOM 0 H ASP A 32 20.223 -8.313 2.283 1.00 10.00 H new ATOM 0 HA ASP A 32 22.350 -6.670 1.205 1.00 10.00 H new ATOM 0 HB2 ASP A 32 23.003 -8.878 1.097 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.365 -9.413 1.420 1.00 10.00 H new ATOM 507 N PHE A 33 19.980 -7.384 -0.958 1.00 10.00 N ATOM 508 CA PHE A 33 19.384 -6.868 -2.225 1.00 10.00 C ATOM 509 C PHE A 33 19.214 -5.354 -2.112 1.00 10.00 C ATOM 510 O PHE A 33 19.814 -4.591 -2.845 1.00 10.00 O ATOM 511 CB PHE A 33 18.023 -7.570 -2.316 1.00 10.00 C ATOM 512 CG PHE A 33 17.318 -7.250 -3.622 1.00 10.00 C ATOM 513 CD1 PHE A 33 17.665 -6.120 -4.376 1.00 10.00 C ATOM 514 CD2 PHE A 33 16.293 -8.095 -4.068 1.00 10.00 C ATOM 515 CE1 PHE A 33 16.986 -5.841 -5.572 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.620 -7.815 -5.263 1.00 10.00 C ATOM 517 CZ PHE A 33 15.966 -6.687 -6.014 1.00 10.00 C ATOM 0 H PHE A 33 19.557 -8.239 -0.597 1.00 10.00 H new ATOM 0 HA PHE A 33 19.996 -7.060 -3.107 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.162 -8.648 -2.231 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.397 -7.262 -1.478 1.00 10.00 H new ATOM 0 HD1 PHE A 33 18.454 -5.465 -4.037 1.00 10.00 H new ATOM 0 HD2 PHE A 33 16.022 -8.965 -3.488 1.00 10.00 H new ATOM 0 HE1 PHE A 33 17.253 -4.970 -6.152 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.833 -8.471 -5.605 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.445 -6.470 -6.935 1.00 10.00 H new ATOM 527 N ALA A 34 18.405 -4.917 -1.191 1.00 10.00 N ATOM 528 CA ALA A 34 18.191 -3.458 -1.008 1.00 10.00 C ATOM 529 C ALA A 34 19.516 -2.709 -1.155 1.00 10.00 C ATOM 530 O ALA A 34 19.594 -1.695 -1.814 1.00 10.00 O ATOM 531 CB ALA A 34 17.648 -3.315 0.415 1.00 10.00 C ATOM 0 H ALA A 34 17.879 -5.513 -0.552 1.00 10.00 H new ATOM 0 HA ALA A 34 17.508 -3.043 -1.749 1.00 10.00 H new ATOM 0 HB1 ALA A 34 17.463 -2.263 0.630 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.716 -3.873 0.507 1.00 10.00 H new ATOM 0 HB3 ALA A 34 18.377 -3.707 1.124 1.00 10.00 H new ATOM 537 N VAL A 35 20.559 -3.199 -0.543 1.00 10.00 N ATOM 538 CA VAL A 35 21.868 -2.512 -0.642 1.00 10.00 C ATOM 539 C VAL A 35 22.540 -2.819 -1.986 1.00 10.00 C ATOM 540 O VAL A 35 22.975 -1.930 -2.685 1.00 10.00 O ATOM 541 CB VAL A 35 22.671 -3.092 0.516 1.00 10.00 C ATOM 542 CG1 VAL A 35 24.160 -2.939 0.236 1.00 10.00 C ATOM 543 CG2 VAL A 35 22.315 -2.345 1.800 1.00 10.00 C ATOM 0 H VAL A 35 20.556 -4.048 0.022 1.00 10.00 H new ATOM 0 HA VAL A 35 21.783 -1.427 -0.590 1.00 10.00 H new ATOM 0 HB VAL A 35 22.434 -4.150 0.629 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.731 -3.355 1.066 1.00 10.00 H new ATOM 0 HG12 VAL A 35 24.414 -3.470 -0.681 1.00 10.00 H new ATOM 0 HG13 VAL A 35 24.402 -1.882 0.122 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.887 -2.757 2.631 1.00 10.00 H new ATOM 0 HG22 VAL A 35 22.553 -1.288 1.684 1.00 10.00 H new ATOM 0 HG23 VAL A 35 21.250 -2.457 2.002 1.00 10.00 H new ATOM 553 N GLU A 36 22.632 -4.068 -2.347 1.00 10.00 N ATOM 554 CA GLU A 36 23.287 -4.423 -3.637 1.00 10.00 C ATOM 555 C GLU A 36 22.572 -3.742 -4.811 1.00 10.00 C ATOM 556 O GLU A 36 23.197 -3.167 -5.678 1.00 10.00 O ATOM 557 CB GLU A 36 23.176 -5.952 -3.715 1.00 10.00 C ATOM 558 CG GLU A 36 22.700 -6.386 -5.104 1.00 10.00 C ATOM 559 CD GLU A 36 23.819 -6.164 -6.122 1.00 10.00 C ATOM 560 OE1 GLU A 36 24.949 -5.984 -5.701 1.00 10.00 O ATOM 561 OE2 GLU A 36 23.526 -6.180 -7.307 1.00 10.00 O ATOM 0 H GLU A 36 22.282 -4.858 -1.805 1.00 10.00 H new ATOM 0 HA GLU A 36 24.324 -4.090 -3.690 1.00 10.00 H new ATOM 0 HB2 GLU A 36 24.144 -6.404 -3.498 1.00 10.00 H new ATOM 0 HB3 GLU A 36 22.480 -6.311 -2.957 1.00 10.00 H new ATOM 0 HG2 GLU A 36 22.412 -7.437 -5.089 1.00 10.00 H new ATOM 0 HG3 GLU A 36 21.816 -5.817 -5.391 1.00 10.00 H new ATOM 568 N TYR A 37 21.268 -3.801 -4.849 1.00 10.00 N ATOM 569 CA TYR A 37 20.533 -3.155 -5.974 1.00 10.00 C ATOM 570 C TYR A 37 20.653 -1.633 -5.880 1.00 10.00 C ATOM 571 O TYR A 37 21.125 -0.981 -6.790 1.00 10.00 O ATOM 572 CB TYR A 37 19.080 -3.588 -5.801 1.00 10.00 C ATOM 573 CG TYR A 37 18.195 -2.733 -6.679 1.00 10.00 C ATOM 574 CD1 TYR A 37 18.626 -2.365 -7.960 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.945 -2.309 -6.213 1.00 10.00 C ATOM 576 CE1 TYR A 37 17.808 -1.571 -8.773 1.00 10.00 C ATOM 577 CE2 TYR A 37 16.125 -1.517 -7.028 1.00 10.00 C ATOM 578 CZ TYR A 37 16.557 -1.148 -8.307 1.00 10.00 C ATOM 579 OH TYR A 37 15.750 -0.365 -9.109 1.00 10.00 O ATOM 0 H TYR A 37 20.683 -4.265 -4.154 1.00 10.00 H new ATOM 0 HA TYR A 37 20.931 -3.446 -6.946 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.968 -4.639 -6.066 1.00 10.00 H new ATOM 0 HB3 TYR A 37 18.781 -3.489 -4.758 1.00 10.00 H new ATOM 0 HD1 TYR A 37 19.589 -2.694 -8.321 1.00 10.00 H new ATOM 0 HD2 TYR A 37 16.612 -2.592 -5.225 1.00 10.00 H new ATOM 0 HE1 TYR A 37 18.142 -1.285 -9.759 1.00 10.00 H new ATOM 0 HE2 TYR A 37 15.160 -1.191 -6.669 1.00 10.00 H new ATOM 0 HH TYR A 37 14.917 -0.161 -8.635 1.00 10.00 H new ATOM 589 N PHE A 38 20.230 -1.063 -4.788 1.00 10.00 N ATOM 590 CA PHE A 38 20.323 0.416 -4.645 1.00 10.00 C ATOM 591 C PHE A 38 21.774 0.871 -4.840 1.00 10.00 C ATOM 592 O PHE A 38 22.107 1.495 -5.832 1.00 10.00 O ATOM 593 CB PHE A 38 19.838 0.709 -3.222 1.00 10.00 C ATOM 594 CG PHE A 38 18.331 0.558 -3.152 1.00 10.00 C ATOM 595 CD1 PHE A 38 17.531 0.945 -4.237 1.00 10.00 C ATOM 596 CD2 PHE A 38 17.735 0.033 -1.998 1.00 10.00 C ATOM 597 CE1 PHE A 38 16.139 0.803 -4.166 1.00 10.00 C ATOM 598 CE2 PHE A 38 16.343 -0.108 -1.929 1.00 10.00 C ATOM 599 CZ PHE A 38 15.545 0.278 -3.013 1.00 10.00 C ATOM 0 H PHE A 38 19.825 -1.554 -3.991 1.00 10.00 H new ATOM 0 HA PHE A 38 19.727 0.947 -5.387 1.00 10.00 H new ATOM 0 HB2 PHE A 38 20.314 0.027 -2.518 1.00 10.00 H new ATOM 0 HB3 PHE A 38 20.125 1.719 -2.931 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.988 1.352 -5.127 1.00 10.00 H new ATOM 0 HD2 PHE A 38 18.349 -0.263 -1.161 1.00 10.00 H new ATOM 0 HE1 PHE A 38 15.523 1.099 -5.003 1.00 10.00 H new ATOM 0 HE2 PHE A 38 15.885 -0.515 -1.039 1.00 10.00 H new ATOM 0 HZ PHE A 38 14.472 0.171 -2.959 1.00 10.00 H new ATOM 609 N THR A 39 22.643 0.565 -3.912 1.00 10.00 N ATOM 610 CA THR A 39 24.069 0.984 -4.063 1.00 10.00 C ATOM 611 C THR A 39 24.506 0.833 -5.522 1.00 10.00 C ATOM 612 O THR A 39 25.356 1.557 -6.004 1.00 10.00 O ATOM 613 CB THR A 39 24.862 0.040 -3.154 1.00 10.00 C ATOM 614 OG1 THR A 39 24.788 0.500 -1.813 1.00 10.00 O ATOM 615 CG2 THR A 39 26.323 -0.003 -3.595 1.00 10.00 C ATOM 0 H THR A 39 22.429 0.046 -3.060 1.00 10.00 H new ATOM 0 HA THR A 39 24.228 2.028 -3.792 1.00 10.00 H new ATOM 0 HB THR A 39 24.437 -0.961 -3.222 1.00 10.00 H new ATOM 0 HG1 THR A 39 25.294 -0.105 -1.231 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.880 -0.676 -2.944 1.00 10.00 H new ATOM 0 HG22 THR A 39 26.382 -0.361 -4.623 1.00 10.00 H new ATOM 0 HG23 THR A 39 26.751 0.998 -3.534 1.00 10.00 H new ATOM 623 N ARG A 40 23.924 -0.095 -6.232 1.00 10.00 N ATOM 624 CA ARG A 40 24.298 -0.284 -7.662 1.00 10.00 C ATOM 625 C ARG A 40 23.644 0.802 -8.521 1.00 10.00 C ATOM 626 O ARG A 40 24.220 1.278 -9.479 1.00 10.00 O ATOM 627 CB ARG A 40 23.761 -1.665 -8.036 1.00 10.00 C ATOM 628 CG ARG A 40 24.194 -2.012 -9.462 1.00 10.00 C ATOM 629 CD ARG A 40 24.790 -3.421 -9.486 1.00 10.00 C ATOM 630 NE ARG A 40 26.007 -3.308 -10.337 1.00 10.00 N ATOM 631 CZ ARG A 40 26.017 -3.829 -11.534 1.00 10.00 C ATOM 632 NH1 ARG A 40 25.780 -5.102 -11.694 1.00 10.00 N ATOM 633 NH2 ARG A 40 26.264 -3.077 -12.571 1.00 10.00 N ATOM 0 H ARG A 40 23.206 -0.730 -5.883 1.00 10.00 H new ATOM 0 HA ARG A 40 25.374 -0.213 -7.823 1.00 10.00 H new ATOM 0 HB2 ARG A 40 24.136 -2.414 -7.338 1.00 10.00 H new ATOM 0 HB3 ARG A 40 22.674 -1.676 -7.962 1.00 10.00 H new ATOM 0 HG2 ARG A 40 23.340 -1.955 -10.137 1.00 10.00 H new ATOM 0 HG3 ARG A 40 24.929 -1.289 -9.816 1.00 10.00 H new ATOM 0 HD2 ARG A 40 25.041 -3.761 -8.481 1.00 10.00 H new ATOM 0 HD3 ARG A 40 24.084 -4.141 -9.899 1.00 10.00 H new ATOM 0 HE ARG A 40 26.833 -2.824 -9.985 1.00 10.00 H new ATOM 0 HH11 ARG A 40 25.587 -5.691 -10.884 1.00 10.00 H new ATOM 0 HH12 ARG A 40 25.788 -5.509 -12.629 1.00 10.00 H new ATOM 0 HH21 ARG A 40 26.449 -2.082 -12.447 1.00 10.00 H new ATOM 0 HH22 ARG A 40 26.272 -3.484 -13.506 1.00 10.00 H new ATOM 647 N LEU A 41 22.447 1.204 -8.183 1.00 10.00 N ATOM 648 CA LEU A 41 21.767 2.263 -8.982 1.00 10.00 C ATOM 649 C LEU A 41 22.624 3.528 -9.006 1.00 10.00 C ATOM 650 O LEU A 41 23.037 3.985 -10.048 1.00 10.00 O ATOM 651 CB LEU A 41 20.445 2.530 -8.262 1.00 10.00 C ATOM 652 CG LEU A 41 19.284 2.284 -9.227 1.00 10.00 C ATOM 653 CD1 LEU A 41 17.960 2.388 -8.470 1.00 10.00 C ATOM 654 CD2 LEU A 41 19.321 3.333 -10.340 1.00 10.00 C ATOM 0 H LEU A 41 21.913 0.846 -7.391 1.00 10.00 H new ATOM 0 HA LEU A 41 21.608 1.958 -10.016 1.00 10.00 H new ATOM 0 HB2 LEU A 41 20.354 1.879 -7.392 1.00 10.00 H new ATOM 0 HB3 LEU A 41 20.418 3.557 -7.897 1.00 10.00 H new ATOM 0 HG LEU A 41 19.374 1.288 -9.661 1.00 10.00 H new ATOM 0 HD11 LEU A 41 17.133 2.213 -9.158 1.00 10.00 H new ATOM 0 HD12 LEU A 41 17.936 1.642 -7.676 1.00 10.00 H new ATOM 0 HD13 LEU A 41 17.866 3.383 -8.036 1.00 10.00 H new ATOM 0 HD21 LEU A 41 18.495 3.161 -11.030 1.00 10.00 H new ATOM 0 HD22 LEU A 41 19.229 4.328 -9.905 1.00 10.00 H new ATOM 0 HD23 LEU A 41 20.265 3.258 -10.879 1.00 10.00 H new ATOM 666 N ARG A 42 22.880 4.102 -7.864 1.00 10.00 N ATOM 667 CA ARG A 42 23.708 5.349 -7.826 1.00 10.00 C ATOM 668 C ARG A 42 24.824 5.269 -8.871 1.00 10.00 C ATOM 669 O ARG A 42 25.135 6.239 -9.535 1.00 10.00 O ATOM 670 CB ARG A 42 24.324 5.465 -6.414 1.00 10.00 C ATOM 671 CG ARG A 42 24.036 4.231 -5.547 1.00 10.00 C ATOM 672 CD ARG A 42 22.741 4.461 -4.756 1.00 10.00 C ATOM 673 NE ARG A 42 21.710 3.619 -5.427 1.00 10.00 N ATOM 674 CZ ARG A 42 20.462 3.999 -5.462 1.00 10.00 C ATOM 675 NH1 ARG A 42 20.044 4.791 -6.411 1.00 10.00 N ATOM 676 NH2 ARG A 42 19.630 3.593 -4.546 1.00 10.00 N ATOM 0 H ARG A 42 22.555 3.767 -6.957 1.00 10.00 H new ATOM 0 HA ARG A 42 23.090 6.219 -8.047 1.00 10.00 H new ATOM 0 HB2 ARG A 42 25.402 5.601 -6.501 1.00 10.00 H new ATOM 0 HB3 ARG A 42 23.929 6.353 -5.920 1.00 10.00 H new ATOM 0 HG2 ARG A 42 23.940 3.345 -6.175 1.00 10.00 H new ATOM 0 HG3 ARG A 42 24.866 4.050 -4.864 1.00 10.00 H new ATOM 0 HD2 ARG A 42 22.863 4.174 -3.711 1.00 10.00 H new ATOM 0 HD3 ARG A 42 22.456 5.513 -4.767 1.00 10.00 H new ATOM 0 HE ARG A 42 21.982 2.738 -5.863 1.00 10.00 H new ATOM 0 HH11 ARG A 42 20.693 5.115 -7.128 1.00 10.00 H new ATOM 0 HH12 ARG A 42 19.068 5.086 -6.436 1.00 10.00 H new ATOM 0 HH21 ARG A 42 19.954 2.977 -3.800 1.00 10.00 H new ATOM 0 HH22 ARG A 42 18.655 3.891 -4.575 1.00 10.00 H new ATOM 690 N GLU A 43 25.427 4.122 -9.022 1.00 10.00 N ATOM 691 CA GLU A 43 26.523 3.980 -10.026 1.00 10.00 C ATOM 692 C GLU A 43 25.938 3.640 -11.398 1.00 10.00 C ATOM 693 O GLU A 43 26.639 3.226 -12.300 1.00 10.00 O ATOM 694 CB GLU A 43 27.382 2.828 -9.509 1.00 10.00 C ATOM 695 CG GLU A 43 28.610 3.385 -8.787 1.00 10.00 C ATOM 696 CD GLU A 43 28.981 2.464 -7.623 1.00 10.00 C ATOM 697 OE1 GLU A 43 29.210 1.292 -7.871 1.00 10.00 O ATOM 698 OE2 GLU A 43 29.028 2.947 -6.503 1.00 10.00 O ATOM 0 H GLU A 43 25.209 3.276 -8.495 1.00 10.00 H new ATOM 0 HA GLU A 43 27.100 4.897 -10.145 1.00 10.00 H new ATOM 0 HB2 GLU A 43 26.801 2.204 -8.830 1.00 10.00 H new ATOM 0 HB3 GLU A 43 27.693 2.193 -10.338 1.00 10.00 H new ATOM 0 HG2 GLU A 43 29.447 3.466 -9.481 1.00 10.00 H new ATOM 0 HG3 GLU A 43 28.403 4.389 -8.418 1.00 10.00 H new ATOM 705 N ALA A 44 24.657 3.811 -11.557 1.00 10.00 N ATOM 706 CA ALA A 44 24.009 3.502 -12.866 1.00 10.00 C ATOM 707 C ALA A 44 24.846 4.038 -14.015 1.00 10.00 C ATOM 708 O ALA A 44 25.332 3.297 -14.846 1.00 10.00 O ATOM 709 CB ALA A 44 22.679 4.247 -12.846 1.00 10.00 C ATOM 0 H ALA A 44 24.025 4.154 -10.834 1.00 10.00 H new ATOM 0 HA ALA A 44 23.894 2.427 -13.003 1.00 10.00 H new ATOM 0 HB1 ALA A 44 22.146 4.066 -13.780 1.00 10.00 H new ATOM 0 HB2 ALA A 44 22.076 3.893 -12.010 1.00 10.00 H new ATOM 0 HB3 ALA A 44 22.862 5.316 -12.735 1.00 10.00 H new ATOM 715 N ARG A 45 24.987 5.334 -14.073 1.00 10.00 N ATOM 716 CA ARG A 45 25.760 5.964 -15.174 1.00 10.00 C ATOM 717 C ARG A 45 26.806 4.991 -15.741 1.00 10.00 C ATOM 718 O ARG A 45 27.924 4.907 -15.277 1.00 10.00 O ATOM 719 CB ARG A 45 26.405 7.213 -14.550 1.00 10.00 C ATOM 720 CG ARG A 45 27.739 6.870 -13.872 1.00 10.00 C ATOM 721 CD ARG A 45 27.563 5.669 -12.939 1.00 10.00 C ATOM 722 NE ARG A 45 28.865 4.947 -12.993 1.00 10.00 N ATOM 723 CZ ARG A 45 29.974 5.578 -12.723 1.00 10.00 C ATOM 724 NH1 ARG A 45 30.151 6.113 -11.547 1.00 10.00 N ATOM 725 NH2 ARG A 45 30.908 5.670 -13.631 1.00 10.00 N ATOM 0 H ARG A 45 24.594 5.988 -13.396 1.00 10.00 H new ATOM 0 HA ARG A 45 25.129 6.231 -16.022 1.00 10.00 H new ATOM 0 HB2 ARG A 45 26.569 7.965 -15.322 1.00 10.00 H new ATOM 0 HB3 ARG A 45 25.725 7.650 -13.819 1.00 10.00 H new ATOM 0 HG2 ARG A 45 28.492 6.646 -14.627 1.00 10.00 H new ATOM 0 HG3 ARG A 45 28.100 7.729 -13.307 1.00 10.00 H new ATOM 0 HD2 ARG A 45 27.330 5.989 -11.923 1.00 10.00 H new ATOM 0 HD3 ARG A 45 26.743 5.030 -13.268 1.00 10.00 H new ATOM 0 HE ARG A 45 28.889 3.958 -13.241 1.00 10.00 H new ATOM 0 HH11 ARG A 45 29.422 6.038 -10.838 1.00 10.00 H new ATOM 0 HH12 ARG A 45 31.019 6.606 -11.336 1.00 10.00 H new ATOM 0 HH21 ARG A 45 30.770 5.249 -14.550 1.00 10.00 H new ATOM 0 HH22 ARG A 45 31.776 6.163 -13.422 1.00 10.00 H new ATOM 739 N ARG A 46 26.439 4.244 -16.746 1.00 10.00 N ATOM 740 CA ARG A 46 27.398 3.272 -17.342 1.00 10.00 C ATOM 741 C ARG A 46 28.437 4.007 -18.193 1.00 10.00 C ATOM 742 O ARG A 46 29.591 3.609 -18.158 1.00 10.00 O ATOM 743 CB ARG A 46 26.537 2.358 -18.216 1.00 10.00 C ATOM 744 CG ARG A 46 27.391 1.202 -18.740 1.00 10.00 C ATOM 745 CD ARG A 46 27.219 -0.015 -17.827 1.00 10.00 C ATOM 746 NE ARG A 46 28.446 -0.830 -18.044 1.00 10.00 N ATOM 747 CZ ARG A 46 28.386 -2.132 -17.967 1.00 10.00 C ATOM 748 NH1 ARG A 46 27.461 -2.782 -18.620 1.00 10.00 N ATOM 749 NH2 ARG A 46 29.253 -2.782 -17.240 1.00 10.00 N ATOM 750 OXT ARG A 46 28.062 4.955 -18.863 1.00 10.00 O ATOM 0 H ARG A 46 25.516 4.265 -17.180 1.00 10.00 H new ATOM 0 HA ARG A 46 27.948 2.714 -16.584 1.00 10.00 H new ATOM 0 HB2 ARG A 46 25.697 1.971 -17.639 1.00 10.00 H new ATOM 0 HB3 ARG A 46 26.119 2.922 -19.049 1.00 10.00 H new ATOM 0 HG2 ARG A 46 27.096 0.950 -19.759 1.00 10.00 H new ATOM 0 HG3 ARG A 46 28.440 1.498 -18.776 1.00 10.00 H new ATOM 0 HD2 ARG A 46 27.122 0.284 -16.783 1.00 10.00 H new ATOM 0 HD3 ARG A 46 26.321 -0.577 -18.082 1.00 10.00 H new ATOM 0 HE ARG A 46 29.333 -0.371 -18.253 1.00 10.00 H new ATOM 0 HH11 ARG A 46 26.786 -2.273 -19.190 1.00 10.00 H new ATOM 0 HH12 ARG A 46 27.414 -3.799 -18.560 1.00 10.00 H new ATOM 0 HH21 ARG A 46 29.977 -2.273 -16.733 1.00 10.00 H new ATOM 0 HH22 ARG A 46 29.207 -3.799 -17.179 1.00 10.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 1.648 -3.544 -13.647 1.00 10.00 N ATOM 766 CA HIS B 1 1.695 -3.926 -15.089 1.00 10.00 C ATOM 767 C HIS B 1 1.999 -5.419 -15.234 1.00 10.00 C ATOM 768 O HIS B 1 2.252 -5.908 -16.318 1.00 10.00 O ATOM 769 CB HIS B 1 2.829 -3.089 -15.682 1.00 10.00 C ATOM 770 CG HIS B 1 2.250 -1.902 -16.399 1.00 10.00 C ATOM 771 ND1 HIS B 1 2.967 -0.730 -16.582 1.00 10.00 N ATOM 772 CD2 HIS B 1 1.027 -1.689 -16.984 1.00 10.00 C ATOM 773 CE1 HIS B 1 2.176 0.129 -17.252 1.00 10.00 C ATOM 774 NE2 HIS B 1 0.981 -0.406 -17.522 1.00 10.00 N ATOM 0 H1 HIS B 1 1.508 -2.517 -13.564 1.00 10.00 H new ATOM 0 H2 HIS B 1 0.860 -4.039 -13.182 1.00 10.00 H new ATOM 0 H3 HIS B 1 2.543 -3.810 -13.188 1.00 10.00 H new ATOM 0 HA HIS B 1 0.746 -3.746 -15.594 1.00 10.00 H new ATOM 0 HB2 HIS B 1 3.503 -2.758 -14.892 1.00 10.00 H new ATOM 0 HB3 HIS B 1 3.419 -3.692 -16.372 1.00 10.00 H new ATOM 0 HD2 HIS B 1 0.222 -2.408 -17.021 1.00 10.00 H new ATOM 0 HE1 HIS B 1 2.471 1.128 -17.537 1.00 10.00 H new ATOM 0 HE2 HIS B 1 0.203 0.032 -18.016 1.00 10.00 H new ATOM 784 N MET B 2 1.976 -6.147 -14.152 1.00 10.00 N ATOM 785 CA MET B 2 2.265 -7.609 -14.231 1.00 10.00 C ATOM 786 C MET B 2 1.009 -8.414 -13.886 1.00 10.00 C ATOM 787 O MET B 2 0.897 -8.977 -12.815 1.00 10.00 O ATOM 788 CB MET B 2 3.359 -7.851 -13.191 1.00 10.00 C ATOM 789 CG MET B 2 4.620 -8.377 -13.882 1.00 10.00 C ATOM 790 SD MET B 2 5.576 -6.986 -14.534 1.00 10.00 S ATOM 791 CE MET B 2 6.541 -7.922 -15.746 1.00 10.00 C ATOM 0 H MET B 2 1.770 -5.795 -13.217 1.00 10.00 H new ATOM 0 HA MET B 2 2.576 -7.917 -15.229 1.00 10.00 H new ATOM 0 HB2 MET B 2 3.582 -6.925 -12.661 1.00 10.00 H new ATOM 0 HB3 MET B 2 3.014 -8.569 -12.447 1.00 10.00 H new ATOM 0 HG2 MET B 2 5.223 -8.947 -13.176 1.00 10.00 H new ATOM 0 HG3 MET B 2 4.348 -9.056 -14.690 1.00 10.00 H new ATOM 0 HE1 MET B 2 7.213 -7.247 -16.276 1.00 10.00 H new ATOM 0 HE2 MET B 2 7.125 -8.687 -15.234 1.00 10.00 H new ATOM 0 HE3 MET B 2 5.867 -8.397 -16.459 1.00 10.00 H new ATOM 801 N GLY B 3 0.062 -8.471 -14.783 1.00 10.00 N ATOM 802 CA GLY B 3 -1.185 -9.237 -14.503 1.00 10.00 C ATOM 803 C GLY B 3 -1.659 -8.937 -13.079 1.00 10.00 C ATOM 804 O GLY B 3 -1.454 -7.858 -12.560 1.00 10.00 O ATOM 0 H GLY B 3 0.098 -8.020 -15.697 1.00 10.00 H new ATOM 0 HA2 GLY B 3 -1.960 -8.966 -15.220 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -1.002 -10.305 -14.619 1.00 10.00 H new ATOM 808 N HIS B 4 -2.292 -9.885 -12.444 1.00 10.00 N ATOM 809 CA HIS B 4 -2.780 -9.655 -11.053 1.00 10.00 C ATOM 810 C HIS B 4 -1.919 -10.434 -10.056 1.00 10.00 C ATOM 811 O HIS B 4 -1.606 -11.590 -10.261 1.00 10.00 O ATOM 812 CB HIS B 4 -4.215 -10.181 -11.045 1.00 10.00 C ATOM 813 CG HIS B 4 -5.066 -9.333 -11.952 1.00 10.00 C ATOM 814 ND1 HIS B 4 -4.623 -8.124 -12.465 1.00 10.00 N ATOM 815 CD2 HIS B 4 -6.335 -9.508 -12.447 1.00 10.00 C ATOM 816 CE1 HIS B 4 -5.610 -7.622 -13.230 1.00 10.00 C ATOM 817 NE2 HIS B 4 -6.676 -8.426 -13.254 1.00 10.00 N ATOM 0 H HIS B 4 -2.493 -10.809 -12.827 1.00 10.00 H new ATOM 0 HA HIS B 4 -2.729 -8.605 -10.766 1.00 10.00 H new ATOM 0 HB2 HIS B 4 -4.235 -11.219 -11.376 1.00 10.00 H new ATOM 0 HB3 HIS B 4 -4.615 -10.162 -10.031 1.00 10.00 H new ATOM 0 HD2 HIS B 4 -6.972 -10.356 -12.242 1.00 10.00 H new ATOM 0 HE1 HIS B 4 -5.548 -6.683 -13.760 1.00 10.00 H new ATOM 0 HE2 HIS B 4 -7.552 -8.279 -13.756 1.00 10.00 H new ATOM 825 N ILE B 5 -1.535 -9.810 -8.976 1.00 10.00 N ATOM 826 CA ILE B 5 -0.695 -10.513 -7.965 1.00 10.00 C ATOM 827 C ILE B 5 -0.941 -9.919 -6.576 1.00 10.00 C ATOM 828 O ILE B 5 -1.575 -8.892 -6.433 1.00 10.00 O ATOM 829 CB ILE B 5 0.748 -10.273 -8.416 1.00 10.00 C ATOM 830 CG1 ILE B 5 1.166 -11.377 -9.389 1.00 10.00 C ATOM 831 CG2 ILE B 5 1.680 -10.288 -7.203 1.00 10.00 C ATOM 832 CD1 ILE B 5 1.136 -10.834 -10.819 1.00 10.00 C ATOM 0 H ILE B 5 -1.767 -8.843 -8.750 1.00 10.00 H new ATOM 0 HA ILE B 5 -0.924 -11.577 -7.897 1.00 10.00 H new ATOM 0 HB ILE B 5 0.814 -9.303 -8.909 1.00 10.00 H new ATOM 0 HG12 ILE B 5 2.167 -11.732 -9.144 1.00 10.00 H new ATOM 0 HG13 ILE B 5 0.494 -12.230 -9.298 1.00 10.00 H new ATOM 0 HG21 ILE B 5 2.706 -10.117 -7.530 1.00 10.00 H new ATOM 0 HG22 ILE B 5 1.385 -9.502 -6.508 1.00 10.00 H new ATOM 0 HG23 ILE B 5 1.615 -11.256 -6.706 1.00 10.00 H new ATOM 0 HD11 ILE B 5 1.434 -11.620 -11.513 1.00 10.00 H new ATOM 0 HD12 ILE B 5 0.127 -10.500 -11.060 1.00 10.00 H new ATOM 0 HD13 ILE B 5 1.826 -9.995 -10.904 1.00 10.00 H new ATOM 844 N GLN B 6 -0.444 -10.556 -5.553 1.00 10.00 N ATOM 845 CA GLN B 6 -0.650 -10.028 -4.174 1.00 10.00 C ATOM 846 C GLN B 6 0.682 -9.979 -3.421 1.00 10.00 C ATOM 847 O GLN B 6 1.273 -10.995 -3.116 1.00 10.00 O ATOM 848 CB GLN B 6 -1.605 -11.020 -3.510 1.00 10.00 C ATOM 849 CG GLN B 6 -3.032 -10.466 -3.555 1.00 10.00 C ATOM 850 CD GLN B 6 -4.026 -11.625 -3.663 1.00 10.00 C ATOM 851 OE1 GLN B 6 -4.743 -11.915 -2.726 1.00 10.00 O ATOM 852 NE2 GLN B 6 -4.102 -12.301 -4.776 1.00 10.00 N ATOM 0 H GLN B 6 0.096 -11.419 -5.611 1.00 10.00 H new ATOM 0 HA GLN B 6 -1.050 -9.014 -4.175 1.00 10.00 H new ATOM 0 HB2 GLN B 6 -1.561 -11.981 -4.022 1.00 10.00 H new ATOM 0 HB3 GLN B 6 -1.304 -11.195 -2.477 1.00 10.00 H new ATOM 0 HG2 GLN B 6 -3.235 -9.881 -2.658 1.00 10.00 H new ATOM 0 HG3 GLN B 6 -3.146 -9.794 -4.406 1.00 10.00 H new ATOM 0 HE21 GLN B 6 -3.500 -12.058 -5.563 1.00 10.00 H new ATOM 0 HE22 GLN B 6 -4.763 -13.073 -4.860 1.00 10.00 H new ATOM 861 N ILE B 7 1.161 -8.802 -3.118 1.00 10.00 N ATOM 862 CA ILE B 7 2.453 -8.690 -2.384 1.00 10.00 C ATOM 863 C ILE B 7 2.386 -9.488 -1.077 1.00 10.00 C ATOM 864 O ILE B 7 1.519 -9.263 -0.256 1.00 10.00 O ATOM 865 CB ILE B 7 2.617 -7.195 -2.102 1.00 10.00 C ATOM 866 CG1 ILE B 7 3.293 -6.523 -3.300 1.00 10.00 C ATOM 867 CG2 ILE B 7 3.483 -6.995 -0.855 1.00 10.00 C ATOM 868 CD1 ILE B 7 2.633 -7.003 -4.595 1.00 10.00 C ATOM 0 H ILE B 7 0.713 -7.915 -3.347 1.00 10.00 H new ATOM 0 HA ILE B 7 3.293 -9.088 -2.953 1.00 10.00 H new ATOM 0 HB ILE B 7 1.636 -6.751 -1.936 1.00 10.00 H new ATOM 0 HG12 ILE B 7 3.210 -5.439 -3.217 1.00 10.00 H new ATOM 0 HG13 ILE B 7 4.357 -6.761 -3.312 1.00 10.00 H new ATOM 0 HG21 ILE B 7 3.597 -5.929 -0.658 1.00 10.00 H new ATOM 0 HG22 ILE B 7 3.005 -7.473 0.000 1.00 10.00 H new ATOM 0 HG23 ILE B 7 4.464 -7.441 -1.018 1.00 10.00 H new ATOM 0 HD11 ILE B 7 3.114 -6.524 -5.448 1.00 10.00 H new ATOM 0 HD12 ILE B 7 2.739 -8.085 -4.678 1.00 10.00 H new ATOM 0 HD13 ILE B 7 1.575 -6.742 -4.582 1.00 10.00 H new ATOM 880 N PRO B 8 3.313 -10.398 -0.930 1.00 10.00 N ATOM 881 CA PRO B 8 3.366 -11.243 0.287 1.00 10.00 C ATOM 882 C PRO B 8 3.819 -10.421 1.497 1.00 10.00 C ATOM 883 O PRO B 8 4.405 -9.367 1.349 1.00 10.00 O ATOM 884 CB PRO B 8 4.395 -12.309 -0.059 1.00 10.00 C ATOM 885 CG PRO B 8 5.253 -11.681 -1.100 1.00 10.00 C ATOM 886 CD PRO B 8 4.384 -10.725 -1.872 1.00 10.00 C ATOM 0 HA PRO B 8 2.397 -11.663 0.554 1.00 10.00 H new ATOM 0 HB2 PRO B 8 4.979 -12.595 0.816 1.00 10.00 H new ATOM 0 HB3 PRO B 8 3.917 -13.214 -0.433 1.00 10.00 H new ATOM 0 HG2 PRO B 8 6.092 -11.156 -0.643 1.00 10.00 H new ATOM 0 HG3 PRO B 8 5.674 -12.439 -1.761 1.00 10.00 H new ATOM 0 HD2 PRO B 8 4.937 -9.836 -2.175 1.00 10.00 H new ATOM 0 HD3 PRO B 8 3.993 -11.183 -2.781 1.00 10.00 H new ATOM 894 N PRO B 9 3.530 -10.938 2.661 1.00 10.00 N ATOM 895 CA PRO B 9 3.912 -10.248 3.917 1.00 10.00 C ATOM 896 C PRO B 9 5.420 -10.361 4.146 1.00 10.00 C ATOM 897 O PRO B 9 6.133 -10.961 3.366 1.00 10.00 O ATOM 898 CB PRO B 9 3.140 -11.007 4.992 1.00 10.00 C ATOM 899 CG PRO B 9 2.900 -12.365 4.412 1.00 10.00 C ATOM 900 CD PRO B 9 2.827 -12.200 2.915 1.00 10.00 C ATOM 0 HA PRO B 9 3.683 -9.182 3.909 1.00 10.00 H new ATOM 0 HB2 PRO B 9 3.711 -11.069 5.918 1.00 10.00 H new ATOM 0 HB3 PRO B 9 2.201 -10.508 5.230 1.00 10.00 H new ATOM 0 HG2 PRO B 9 3.704 -13.048 4.686 1.00 10.00 H new ATOM 0 HG3 PRO B 9 1.974 -12.791 4.798 1.00 10.00 H new ATOM 0 HD2 PRO B 9 3.303 -13.033 2.398 1.00 10.00 H new ATOM 0 HD3 PRO B 9 1.795 -12.158 2.568 1.00 10.00 H new ATOM 908 N GLY B 10 5.914 -9.783 5.207 1.00 10.00 N ATOM 909 CA GLY B 10 7.377 -9.854 5.477 1.00 10.00 C ATOM 910 C GLY B 10 8.095 -8.781 4.659 1.00 10.00 C ATOM 911 O GLY B 10 8.974 -8.099 5.147 1.00 10.00 O ATOM 0 H GLY B 10 5.369 -9.266 5.897 1.00 10.00 H new ATOM 0 HA2 GLY B 10 7.570 -9.707 6.540 1.00 10.00 H new ATOM 0 HA3 GLY B 10 7.759 -10.841 5.217 1.00 10.00 H new ATOM 915 N LEU B 11 7.724 -8.621 3.416 1.00 10.00 N ATOM 916 CA LEU B 11 8.383 -7.588 2.567 1.00 10.00 C ATOM 917 C LEU B 11 7.950 -6.192 3.018 1.00 10.00 C ATOM 918 O LEU B 11 8.767 -5.337 3.292 1.00 10.00 O ATOM 919 CB LEU B 11 7.896 -7.870 1.144 1.00 10.00 C ATOM 920 CG LEU B 11 8.549 -6.889 0.161 1.00 10.00 C ATOM 921 CD1 LEU B 11 7.718 -5.607 0.087 1.00 10.00 C ATOM 922 CD2 LEU B 11 9.966 -6.549 0.631 1.00 10.00 C ATOM 0 H LEU B 11 6.993 -9.161 2.953 1.00 10.00 H new ATOM 0 HA LEU B 11 9.470 -7.625 2.635 1.00 10.00 H new ATOM 0 HB2 LEU B 11 8.140 -8.895 0.864 1.00 10.00 H new ATOM 0 HB3 LEU B 11 6.811 -7.776 1.097 1.00 10.00 H new ATOM 0 HG LEU B 11 8.597 -7.351 -0.825 1.00 10.00 H new ATOM 0 HD11 LEU B 11 8.183 -4.912 -0.612 1.00 10.00 H new ATOM 0 HD12 LEU B 11 6.711 -5.845 -0.255 1.00 10.00 H new ATOM 0 HD13 LEU B 11 7.667 -5.149 1.075 1.00 10.00 H new ATOM 0 HD21 LEU B 11 10.425 -5.852 -0.071 1.00 10.00 H new ATOM 0 HD22 LEU B 11 9.922 -6.092 1.620 1.00 10.00 H new ATOM 0 HD23 LEU B 11 10.562 -7.460 0.679 1.00 10.00 H new ATOM 934 N THR B 12 6.668 -5.958 3.102 1.00 10.00 N ATOM 935 CA THR B 12 6.186 -4.617 3.540 1.00 10.00 C ATOM 936 C THR B 12 6.989 -4.144 4.749 1.00 10.00 C ATOM 937 O THR B 12 7.495 -3.042 4.782 1.00 10.00 O ATOM 938 CB THR B 12 4.717 -4.824 3.915 1.00 10.00 C ATOM 939 OG1 THR B 12 4.020 -5.371 2.804 1.00 10.00 O ATOM 940 CG2 THR B 12 4.091 -3.483 4.302 1.00 10.00 C ATOM 0 H THR B 12 5.936 -6.635 2.887 1.00 10.00 H new ATOM 0 HA THR B 12 6.302 -3.860 2.764 1.00 10.00 H new ATOM 0 HB THR B 12 4.651 -5.509 4.760 1.00 10.00 H new ATOM 0 HG1 THR B 12 3.079 -5.506 3.042 1.00 10.00 H new ATOM 0 HG21 THR B 12 3.045 -3.633 4.569 1.00 10.00 H new ATOM 0 HG22 THR B 12 4.626 -3.064 5.154 1.00 10.00 H new ATOM 0 HG23 THR B 12 4.155 -2.795 3.459 1.00 10.00 H new ATOM 948 N GLU B 13 7.110 -4.977 5.742 1.00 10.00 N ATOM 949 CA GLU B 13 7.883 -4.588 6.957 1.00 10.00 C ATOM 950 C GLU B 13 9.134 -3.797 6.562 1.00 10.00 C ATOM 951 O GLU B 13 9.311 -2.662 6.956 1.00 10.00 O ATOM 952 CB GLU B 13 8.272 -5.911 7.617 1.00 10.00 C ATOM 953 CG GLU B 13 8.122 -5.787 9.134 1.00 10.00 C ATOM 954 CD GLU B 13 6.682 -6.107 9.532 1.00 10.00 C ATOM 955 OE1 GLU B 13 5.906 -6.441 8.652 1.00 10.00 O ATOM 956 OE2 GLU B 13 6.378 -6.012 10.709 1.00 10.00 O ATOM 0 H GLU B 13 6.707 -5.914 5.767 1.00 10.00 H new ATOM 0 HA GLU B 13 7.305 -3.951 7.626 1.00 10.00 H new ATOM 0 HB2 GLU B 13 7.640 -6.716 7.243 1.00 10.00 H new ATOM 0 HB3 GLU B 13 9.300 -6.168 7.362 1.00 10.00 H new ATOM 0 HG2 GLU B 13 8.809 -6.469 9.635 1.00 10.00 H new ATOM 0 HG3 GLU B 13 8.384 -4.779 9.455 1.00 10.00 H new ATOM 963 N LEU B 14 10.000 -4.388 5.787 1.00 10.00 N ATOM 964 CA LEU B 14 11.237 -3.669 5.366 1.00 10.00 C ATOM 965 C LEU B 14 10.875 -2.351 4.676 1.00 10.00 C ATOM 966 O LEU B 14 11.232 -1.280 5.129 1.00 10.00 O ATOM 967 CB LEU B 14 11.927 -4.615 4.383 1.00 10.00 C ATOM 968 CG LEU B 14 13.084 -5.329 5.082 1.00 10.00 C ATOM 969 CD1 LEU B 14 14.016 -4.293 5.715 1.00 10.00 C ATOM 970 CD2 LEU B 14 12.529 -6.247 6.173 1.00 10.00 C ATOM 0 H LEU B 14 9.906 -5.337 5.426 1.00 10.00 H new ATOM 0 HA LEU B 14 11.878 -3.419 6.212 1.00 10.00 H new ATOM 0 HB2 LEU B 14 11.212 -5.345 4.003 1.00 10.00 H new ATOM 0 HB3 LEU B 14 12.298 -4.056 3.524 1.00 10.00 H new ATOM 0 HG LEU B 14 13.639 -5.921 4.354 1.00 10.00 H new ATOM 0 HD11 LEU B 14 14.841 -4.802 6.213 1.00 10.00 H new ATOM 0 HD12 LEU B 14 14.410 -3.636 4.939 1.00 10.00 H new ATOM 0 HD13 LEU B 14 13.461 -3.702 6.444 1.00 10.00 H new ATOM 0 HD21 LEU B 14 13.352 -6.757 6.673 1.00 10.00 H new ATOM 0 HD22 LEU B 14 11.975 -5.654 6.900 1.00 10.00 H new ATOM 0 HD23 LEU B 14 11.864 -6.985 5.724 1.00 10.00 H new ATOM 982 N LEU B 15 10.169 -2.421 3.580 1.00 10.00 N ATOM 983 CA LEU B 15 9.785 -1.176 2.858 1.00 10.00 C ATOM 984 C LEU B 15 9.056 -0.217 3.802 1.00 10.00 C ATOM 985 O LEU B 15 9.486 0.899 4.014 1.00 10.00 O ATOM 986 CB LEU B 15 8.858 -1.640 1.733 1.00 10.00 C ATOM 987 CG LEU B 15 9.671 -1.848 0.452 1.00 10.00 C ATOM 988 CD1 LEU B 15 10.881 -2.738 0.745 1.00 10.00 C ATOM 989 CD2 LEU B 15 8.789 -2.519 -0.603 1.00 10.00 C ATOM 0 H LEU B 15 9.842 -3.288 3.154 1.00 10.00 H new ATOM 0 HA LEU B 15 10.651 -0.638 2.473 1.00 10.00 H new ATOM 0 HB2 LEU B 15 8.362 -2.568 2.016 1.00 10.00 H new ATOM 0 HB3 LEU B 15 8.076 -0.900 1.564 1.00 10.00 H new ATOM 0 HG LEU B 15 10.017 -0.883 0.082 1.00 10.00 H new ATOM 0 HD11 LEU B 15 11.456 -2.883 -0.170 1.00 10.00 H new ATOM 0 HD12 LEU B 15 11.510 -2.261 1.497 1.00 10.00 H new ATOM 0 HD13 LEU B 15 10.540 -3.705 1.116 1.00 10.00 H new ATOM 0 HD21 LEU B 15 9.364 -2.669 -1.517 1.00 10.00 H new ATOM 0 HD22 LEU B 15 8.444 -3.483 -0.229 1.00 10.00 H new ATOM 0 HD23 LEU B 15 7.929 -1.884 -0.816 1.00 10.00 H new ATOM 1001 N GLN B 16 7.960 -0.640 4.375 1.00 10.00 N ATOM 1002 CA GLN B 16 7.220 0.258 5.308 1.00 10.00 C ATOM 1003 C GLN B 16 8.214 1.020 6.183 1.00 10.00 C ATOM 1004 O GLN B 16 8.183 2.232 6.260 1.00 10.00 O ATOM 1005 CB GLN B 16 6.354 -0.670 6.163 1.00 10.00 C ATOM 1006 CG GLN B 16 4.940 -0.093 6.287 1.00 10.00 C ATOM 1007 CD GLN B 16 5.001 1.437 6.344 1.00 10.00 C ATOM 1008 OE1 GLN B 16 5.708 2.000 7.156 1.00 10.00 O ATOM 1009 NE2 GLN B 16 4.284 2.136 5.507 1.00 10.00 N ATOM 0 H GLN B 16 7.548 -1.563 4.238 1.00 10.00 H new ATOM 0 HA GLN B 16 6.615 0.997 4.782 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.314 -1.662 5.713 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.797 -0.787 7.152 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.334 -0.410 5.438 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.458 -0.480 7.185 1.00 10.00 H new ATOM 0 HE21 GLN B 16 3.691 1.663 4.825 1.00 10.00 H new ATOM 0 HE22 GLN B 16 4.317 3.155 5.534 1.00 10.00 H new ATOM 1018 N GLY B 17 9.105 0.319 6.833 1.00 10.00 N ATOM 1019 CA GLY B 17 10.109 1.008 7.692 1.00 10.00 C ATOM 1020 C GLY B 17 10.593 2.262 6.970 1.00 10.00 C ATOM 1021 O GLY B 17 10.522 3.358 7.490 1.00 10.00 O ATOM 0 H GLY B 17 9.180 -0.698 6.806 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.667 1.272 8.653 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.948 0.344 7.899 1.00 10.00 H new ATOM 1025 N TYR B 18 11.075 2.113 5.765 1.00 10.00 N ATOM 1026 CA TYR B 18 11.548 3.298 5.006 1.00 10.00 C ATOM 1027 C TYR B 18 10.521 4.428 5.098 1.00 10.00 C ATOM 1028 O TYR B 18 10.775 5.470 5.668 1.00 10.00 O ATOM 1029 CB TYR B 18 11.682 2.815 3.565 1.00 10.00 C ATOM 1030 CG TYR B 18 12.860 3.501 2.937 1.00 10.00 C ATOM 1031 CD1 TYR B 18 14.097 3.476 3.584 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.716 4.169 1.717 1.00 10.00 C ATOM 1033 CE1 TYR B 18 15.200 4.122 3.009 1.00 10.00 C ATOM 1034 CE2 TYR B 18 13.815 4.817 1.143 1.00 10.00 C ATOM 1035 CZ TYR B 18 15.057 4.793 1.787 1.00 10.00 C ATOM 1036 OH TYR B 18 16.138 5.433 1.221 1.00 10.00 O ATOM 0 H TYR B 18 11.160 1.221 5.277 1.00 10.00 H new ATOM 0 HA TYR B 18 12.488 3.690 5.395 1.00 10.00 H new ATOM 0 HB2 TYR B 18 11.816 1.734 3.540 1.00 10.00 H new ATOM 0 HB3 TYR B 18 10.773 3.037 3.006 1.00 10.00 H new ATOM 0 HD1 TYR B 18 14.204 2.959 4.526 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.758 4.185 1.219 1.00 10.00 H new ATOM 0 HE1 TYR B 18 16.158 4.103 3.507 1.00 10.00 H new ATOM 0 HE2 TYR B 18 13.705 5.336 0.202 1.00 10.00 H new ATOM 0 HH TYR B 18 16.047 5.427 0.245 1.00 10.00 H new ATOM 1046 N THR B 19 9.360 4.225 4.537 1.00 10.00 N ATOM 1047 CA THR B 19 8.310 5.281 4.589 1.00 10.00 C ATOM 1048 C THR B 19 8.258 5.907 5.986 1.00 10.00 C ATOM 1049 O THR B 19 8.055 7.095 6.136 1.00 10.00 O ATOM 1050 CB THR B 19 7.002 4.550 4.273 1.00 10.00 C ATOM 1051 OG1 THR B 19 6.818 4.501 2.865 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.827 5.289 4.916 1.00 10.00 C ATOM 0 H THR B 19 9.093 3.372 4.045 1.00 10.00 H new ATOM 0 HA THR B 19 8.502 6.093 3.888 1.00 10.00 H new ATOM 0 HB THR B 19 7.050 3.537 4.672 1.00 10.00 H new ATOM 0 HG1 THR B 19 5.982 4.032 2.660 1.00 10.00 H new ATOM 0 HG21 THR B 19 4.899 4.765 4.688 1.00 10.00 H new ATOM 0 HG22 THR B 19 5.967 5.325 5.996 1.00 10.00 H new ATOM 0 HG23 THR B 19 5.776 6.304 4.522 1.00 10.00 H new ATOM 1060 N VAL B 20 8.439 5.116 7.008 1.00 10.00 N ATOM 1061 CA VAL B 20 8.397 5.667 8.395 1.00 10.00 C ATOM 1062 C VAL B 20 9.636 6.528 8.664 1.00 10.00 C ATOM 1063 O VAL B 20 9.614 7.425 9.484 1.00 10.00 O ATOM 1064 CB VAL B 20 8.383 4.439 9.307 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.241 4.886 10.764 1.00 10.00 C ATOM 1066 CG2 VAL B 20 7.200 3.540 8.935 1.00 10.00 C ATOM 0 H VAL B 20 8.614 4.113 6.944 1.00 10.00 H new ATOM 0 HA VAL B 20 7.530 6.306 8.560 1.00 10.00 H new ATOM 0 HB VAL B 20 9.314 3.886 9.184 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.231 4.011 11.414 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.081 5.527 11.031 1.00 10.00 H new ATOM 0 HG13 VAL B 20 7.310 5.439 10.886 1.00 10.00 H new ATOM 0 HG21 VAL B 20 7.190 2.665 9.585 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.269 4.094 9.058 1.00 10.00 H new ATOM 0 HG23 VAL B 20 7.298 3.221 7.897 1.00 10.00 H new ATOM 1076 N GLU B 21 10.715 6.272 7.973 1.00 10.00 N ATOM 1077 CA GLU B 21 11.950 7.085 8.191 1.00 10.00 C ATOM 1078 C GLU B 21 11.925 8.304 7.273 1.00 10.00 C ATOM 1079 O GLU B 21 12.026 9.433 7.709 1.00 10.00 O ATOM 1080 CB GLU B 21 13.131 6.182 7.822 1.00 10.00 C ATOM 1081 CG GLU B 21 12.695 4.722 7.849 1.00 10.00 C ATOM 1082 CD GLU B 21 13.904 3.828 8.132 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.925 4.358 8.537 1.00 10.00 O ATOM 1084 OE2 GLU B 21 13.787 2.630 7.937 1.00 10.00 O ATOM 0 H GLU B 21 10.796 5.538 7.269 1.00 10.00 H new ATOM 0 HA GLU B 21 12.025 7.434 9.221 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.503 6.441 6.831 1.00 10.00 H new ATOM 0 HB3 GLU B 21 13.952 6.338 8.521 1.00 10.00 H new ATOM 0 HG2 GLU B 21 11.934 4.574 8.615 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.244 4.449 6.895 1.00 10.00 H new ATOM 1091 N VAL B 22 11.789 8.072 6.000 1.00 10.00 N ATOM 1092 CA VAL B 22 11.751 9.197 5.030 1.00 10.00 C ATOM 1093 C VAL B 22 10.722 10.240 5.476 1.00 10.00 C ATOM 1094 O VAL B 22 10.792 11.395 5.104 1.00 10.00 O ATOM 1095 CB VAL B 22 11.329 8.553 3.710 1.00 10.00 C ATOM 1096 CG1 VAL B 22 11.537 9.544 2.570 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.180 7.306 3.454 1.00 10.00 C ATOM 0 H VAL B 22 11.702 7.144 5.587 1.00 10.00 H new ATOM 0 HA VAL B 22 12.708 9.713 4.947 1.00 10.00 H new ATOM 0 HB VAL B 22 10.277 8.274 3.765 1.00 10.00 H new ATOM 0 HG11 VAL B 22 11.236 9.084 1.629 1.00 10.00 H new ATOM 0 HG12 VAL B 22 10.935 10.435 2.748 1.00 10.00 H new ATOM 0 HG13 VAL B 22 12.590 9.822 2.517 1.00 10.00 H new ATOM 0 HG21 VAL B 22 11.879 6.847 2.512 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.232 7.588 3.400 1.00 10.00 H new ATOM 0 HG23 VAL B 22 12.036 6.594 4.267 1.00 10.00 H new ATOM 1107 N LEU B 23B 9.766 9.840 6.270 1.00 10.00 N ATOM 1108 CA LEU B 23B 8.731 10.805 6.741 1.00 10.00 C ATOM 1109 C LEU B 23B 9.178 11.467 8.047 1.00 10.00 C ATOM 1110 O LEU B 23B 8.930 12.634 8.278 1.00 10.00 O ATOM 1111 CB LEU B 23B 7.478 9.959 6.977 1.00 10.00 C ATOM 1112 CG LEU B 23B 6.489 10.177 5.831 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 7.088 9.642 4.529 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 5.185 9.432 6.133 1.00 10.00 C ATOM 0 H LEU B 23B 9.657 8.886 6.613 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.557 11.604 6.021 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.746 8.905 7.044 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 7.016 10.231 7.926 1.00 10.00 H new ATOM 0 HG LEU B 23B 6.285 11.243 5.727 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 6.382 9.798 3.713 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 8.017 10.170 4.312 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 7.292 8.576 4.633 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 4.480 9.587 5.316 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 5.390 8.367 6.238 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 4.756 9.811 7.060 1.00 10.00 H new ATOM 1126 N ARG B 24 9.825 10.729 8.908 1.00 10.00 N ATOM 1127 CA ARG B 24 10.274 11.315 10.204 1.00 10.00 C ATOM 1128 C ARG B 24 11.510 12.202 10.005 1.00 10.00 C ATOM 1129 O ARG B 24 12.092 12.685 10.956 1.00 10.00 O ATOM 1130 CB ARG B 24 10.617 10.113 11.082 1.00 10.00 C ATOM 1131 CG ARG B 24 11.182 10.601 12.418 1.00 10.00 C ATOM 1132 CD ARG B 24 10.393 9.968 13.567 1.00 10.00 C ATOM 1133 NE ARG B 24 11.403 9.710 14.630 1.00 10.00 N ATOM 1134 CZ ARG B 24 11.935 10.706 15.285 1.00 10.00 C ATOM 1135 NH1 ARG B 24 11.596 11.934 14.998 1.00 10.00 N ATOM 1136 NH2 ARG B 24 12.805 10.475 16.229 1.00 10.00 N ATOM 0 H ARG B 24 10.062 9.747 8.770 1.00 10.00 H new ATOM 0 HA ARG B 24 9.507 11.948 10.650 1.00 10.00 H new ATOM 0 HB2 ARG B 24 9.727 9.507 11.251 1.00 10.00 H new ATOM 0 HB3 ARG B 24 11.345 9.477 10.578 1.00 10.00 H new ATOM 0 HG2 ARG B 24 12.236 10.336 12.498 1.00 10.00 H new ATOM 0 HG3 ARG B 24 11.121 11.688 12.476 1.00 10.00 H new ATOM 0 HD2 ARG B 24 9.608 10.636 13.922 1.00 10.00 H new ATOM 0 HD3 ARG B 24 9.907 9.045 13.251 1.00 10.00 H new ATOM 0 HE ARG B 24 11.680 8.753 14.847 1.00 10.00 H new ATOM 0 HH11 ARG B 24 10.915 12.116 14.261 1.00 10.00 H new ATOM 0 HH12 ARG B 24 12.013 12.711 15.511 1.00 10.00 H new ATOM 0 HH21 ARG B 24 13.070 9.516 16.455 1.00 10.00 H new ATOM 0 HH22 ARG B 24 13.221 11.253 16.741 1.00 10.00 H new ATOM 1150 N GLN B 25 11.918 12.426 8.785 1.00 10.00 N ATOM 1151 CA GLN B 25 13.116 13.285 8.559 1.00 10.00 C ATOM 1152 C GLN B 25 13.176 13.775 7.106 1.00 10.00 C ATOM 1153 O GLN B 25 14.202 14.240 6.650 1.00 10.00 O ATOM 1154 CB GLN B 25 14.314 12.386 8.886 1.00 10.00 C ATOM 1155 CG GLN B 25 14.885 11.786 7.597 1.00 10.00 C ATOM 1156 CD GLN B 25 15.777 10.591 7.936 1.00 10.00 C ATOM 1157 OE1 GLN B 25 15.924 10.233 9.088 1.00 10.00 O ATOM 1158 NE2 GLN B 25 16.384 9.952 6.973 1.00 10.00 N ATOM 0 H GLN B 25 11.479 12.055 7.942 1.00 10.00 H new ATOM 0 HA GLN B 25 13.098 14.182 9.178 1.00 10.00 H new ATOM 0 HB2 GLN B 25 15.083 12.963 9.400 1.00 10.00 H new ATOM 0 HB3 GLN B 25 14.007 11.589 9.563 1.00 10.00 H new ATOM 0 HG2 GLN B 25 14.074 11.472 6.940 1.00 10.00 H new ATOM 0 HG3 GLN B 25 15.459 12.539 7.057 1.00 10.00 H new ATOM 0 HE21 GLN B 25 16.261 10.251 6.006 1.00 10.00 H new ATOM 0 HE22 GLN B 25 16.981 9.153 7.188 1.00 10.00 H new ATOM 1167 N GLN B 26 12.087 13.679 6.381 1.00 10.00 N ATOM 1168 CA GLN B 26 12.077 14.143 4.955 1.00 10.00 C ATOM 1169 C GLN B 26 13.506 14.284 4.420 1.00 10.00 C ATOM 1170 O GLN B 26 14.027 15.377 4.320 1.00 10.00 O ATOM 1171 CB GLN B 26 11.384 15.505 4.987 1.00 10.00 C ATOM 1172 CG GLN B 26 10.068 15.427 4.212 1.00 10.00 C ATOM 1173 CD GLN B 26 10.094 16.436 3.062 1.00 10.00 C ATOM 1174 OE1 GLN B 26 10.956 16.379 2.208 1.00 10.00 O ATOM 1175 NE2 GLN B 26 9.178 17.365 3.004 1.00 10.00 N ATOM 0 H GLN B 26 11.202 13.298 6.715 1.00 10.00 H new ATOM 0 HA GLN B 26 11.567 13.436 4.301 1.00 10.00 H new ATOM 0 HB2 GLN B 26 11.194 15.804 6.018 1.00 10.00 H new ATOM 0 HB3 GLN B 26 12.032 16.265 4.549 1.00 10.00 H new ATOM 0 HG2 GLN B 26 9.922 14.419 3.823 1.00 10.00 H new ATOM 0 HG3 GLN B 26 9.229 15.637 4.876 1.00 10.00 H new ATOM 0 HE21 GLN B 26 8.454 17.413 3.721 1.00 10.00 H new ATOM 0 HE22 GLN B 26 9.186 18.043 2.242 1.00 10.00 H new ATOM 1184 N PRO B 27 14.093 13.164 4.102 1.00 10.00 N ATOM 1185 CA PRO B 27 15.481 13.149 3.581 1.00 10.00 C ATOM 1186 C PRO B 27 15.538 13.756 2.176 1.00 10.00 C ATOM 1187 O PRO B 27 14.519 13.989 1.555 1.00 10.00 O ATOM 1188 CB PRO B 27 15.836 11.664 3.553 1.00 10.00 C ATOM 1189 CG PRO B 27 14.521 10.962 3.458 1.00 10.00 C ATOM 1190 CD PRO B 27 13.526 11.817 4.196 1.00 10.00 C ATOM 0 HA PRO B 27 16.172 13.736 4.187 1.00 10.00 H new ATOM 0 HB2 PRO B 27 16.475 11.425 2.703 1.00 10.00 H new ATOM 0 HB3 PRO B 27 16.378 11.369 4.451 1.00 10.00 H new ATOM 0 HG2 PRO B 27 14.225 10.833 2.417 1.00 10.00 H new ATOM 0 HG3 PRO B 27 14.580 9.967 3.899 1.00 10.00 H new ATOM 0 HD2 PRO B 27 12.537 11.766 3.740 1.00 10.00 H new ATOM 0 HD3 PRO B 27 13.416 11.500 5.233 1.00 10.00 H new ATOM 1198 N PRO B 28 16.739 13.993 1.723 1.00 10.00 N ATOM 1199 CA PRO B 28 16.949 14.580 0.378 1.00 10.00 C ATOM 1200 C PRO B 28 16.561 13.576 -0.710 1.00 10.00 C ATOM 1201 O PRO B 28 15.793 13.875 -1.601 1.00 10.00 O ATOM 1202 CB PRO B 28 18.447 14.873 0.344 1.00 10.00 C ATOM 1203 CG PRO B 28 19.039 13.928 1.337 1.00 10.00 C ATOM 1204 CD PRO B 28 18.005 13.737 2.413 1.00 10.00 C ATOM 0 HA PRO B 28 16.344 15.468 0.198 1.00 10.00 H new ATOM 0 HB2 PRO B 28 18.860 14.711 -0.652 1.00 10.00 H new ATOM 0 HB3 PRO B 28 18.654 15.909 0.611 1.00 10.00 H new ATOM 0 HG2 PRO B 28 19.289 12.977 0.866 1.00 10.00 H new ATOM 0 HG3 PRO B 28 19.962 14.331 1.753 1.00 10.00 H new ATOM 0 HD2 PRO B 28 18.039 12.729 2.828 1.00 10.00 H new ATOM 0 HD3 PRO B 28 18.157 14.428 3.242 1.00 10.00 H new ATOM 1212 N ASP B 29 17.087 12.384 -0.642 1.00 10.00 N ATOM 1213 CA ASP B 29 16.747 11.360 -1.672 1.00 10.00 C ATOM 1214 C ASP B 29 16.857 9.956 -1.072 1.00 10.00 C ATOM 1215 O ASP B 29 17.719 9.682 -0.261 1.00 10.00 O ATOM 1216 CB ASP B 29 17.783 11.550 -2.783 1.00 10.00 C ATOM 1217 CG ASP B 29 17.948 13.042 -3.079 1.00 10.00 C ATOM 1218 OD1 ASP B 29 17.100 13.588 -3.765 1.00 10.00 O ATOM 1219 OD2 ASP B 29 18.921 13.614 -2.614 1.00 10.00 O ATOM 0 H ASP B 29 17.737 12.074 0.081 1.00 10.00 H new ATOM 0 HA ASP B 29 15.729 11.471 -2.044 1.00 10.00 H new ATOM 0 HB2 ASP B 29 18.738 11.121 -2.481 1.00 10.00 H new ATOM 0 HB3 ASP B 29 17.467 11.023 -3.683 1.00 10.00 H new ATOM 1224 N LEU B 30 15.992 9.063 -1.469 1.00 10.00 N ATOM 1225 CA LEU B 30 16.055 7.677 -0.924 1.00 10.00 C ATOM 1226 C LEU B 30 17.306 6.981 -1.450 1.00 10.00 C ATOM 1227 O LEU B 30 18.073 6.410 -0.705 1.00 10.00 O ATOM 1228 CB LEU B 30 14.799 6.974 -1.447 1.00 10.00 C ATOM 1229 CG LEU B 30 13.530 7.719 -1.007 1.00 10.00 C ATOM 1230 CD1 LEU B 30 13.785 8.518 0.278 1.00 10.00 C ATOM 1231 CD2 LEU B 30 13.091 8.671 -2.121 1.00 10.00 C ATOM 0 H LEU B 30 15.247 9.232 -2.145 1.00 10.00 H new ATOM 0 HA LEU B 30 16.099 7.662 0.165 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.835 6.919 -2.535 1.00 10.00 H new ATOM 0 HB3 LEU B 30 14.770 5.949 -1.077 1.00 10.00 H new ATOM 0 HG LEU B 30 12.746 6.988 -0.810 1.00 10.00 H new ATOM 0 HD11 LEU B 30 12.872 9.037 0.571 1.00 10.00 H new ATOM 0 HD12 LEU B 30 14.087 7.839 1.075 1.00 10.00 H new ATOM 0 HD13 LEU B 30 14.577 9.246 0.102 1.00 10.00 H new ATOM 0 HD21 LEU B 30 12.190 9.202 -1.812 1.00 10.00 H new ATOM 0 HD22 LEU B 30 13.886 9.390 -2.319 1.00 10.00 H new ATOM 0 HD23 LEU B 30 12.884 8.101 -3.026 1.00 10.00 H new ATOM 1243 N VAL B 31 17.513 7.038 -2.738 1.00 10.00 N ATOM 1244 CA VAL B 31 18.712 6.399 -3.352 1.00 10.00 C ATOM 1245 C VAL B 31 19.827 6.235 -2.322 1.00 10.00 C ATOM 1246 O VAL B 31 20.121 5.147 -1.869 1.00 10.00 O ATOM 1247 CB VAL B 31 19.138 7.380 -4.437 1.00 10.00 C ATOM 1248 CG1 VAL B 31 20.464 6.930 -5.042 1.00 10.00 C ATOM 1249 CG2 VAL B 31 18.063 7.418 -5.524 1.00 10.00 C ATOM 0 H VAL B 31 16.894 7.507 -3.399 1.00 10.00 H new ATOM 0 HA VAL B 31 18.500 5.402 -3.739 1.00 10.00 H new ATOM 0 HB VAL B 31 19.261 8.374 -4.007 1.00 10.00 H new ATOM 0 HG11 VAL B 31 20.767 7.633 -5.818 1.00 10.00 H new ATOM 0 HG12 VAL B 31 21.227 6.897 -4.264 1.00 10.00 H new ATOM 0 HG13 VAL B 31 20.347 5.937 -5.477 1.00 10.00 H new ATOM 0 HG21 VAL B 31 18.360 8.118 -6.305 1.00 10.00 H new ATOM 0 HG22 VAL B 31 17.945 6.423 -5.954 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.117 7.740 -5.089 1.00 10.00 H new ATOM 1259 N ASP B 32 20.441 7.317 -1.949 1.00 10.00 N ATOM 1260 CA ASP B 32 21.534 7.252 -0.945 1.00 10.00 C ATOM 1261 C ASP B 32 20.988 6.692 0.373 1.00 10.00 C ATOM 1262 O ASP B 32 21.445 5.679 0.865 1.00 10.00 O ATOM 1263 CB ASP B 32 21.990 8.708 -0.808 1.00 10.00 C ATOM 1264 CG ASP B 32 21.843 9.181 0.641 1.00 10.00 C ATOM 1265 OD1 ASP B 32 22.593 8.706 1.477 1.00 10.00 O ATOM 1266 OD2 ASP B 32 20.981 10.010 0.888 1.00 10.00 O ATOM 0 H ASP B 32 20.232 8.252 -2.299 1.00 10.00 H new ATOM 0 HA ASP B 32 22.359 6.599 -1.229 1.00 10.00 H new ATOM 0 HB2 ASP B 32 23.029 8.801 -1.124 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.398 9.344 -1.466 1.00 10.00 H new ATOM 1271 N PHE B 33 19.997 7.330 0.935 1.00 10.00 N ATOM 1272 CA PHE B 33 19.404 6.821 2.206 1.00 10.00 C ATOM 1273 C PHE B 33 19.228 5.306 2.101 1.00 10.00 C ATOM 1274 O PHE B 33 19.824 4.544 2.838 1.00 10.00 O ATOM 1275 CB PHE B 33 18.047 7.530 2.294 1.00 10.00 C ATOM 1276 CG PHE B 33 17.346 7.225 3.604 1.00 10.00 C ATOM 1277 CD1 PHE B 33 17.701 6.105 4.372 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.317 8.070 4.041 1.00 10.00 C ATOM 1279 CE1 PHE B 33 17.028 5.837 5.572 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.648 7.800 5.242 1.00 10.00 C ATOM 1281 CZ PHE B 33 16.003 6.685 6.006 1.00 10.00 C ATOM 0 H PHE B 33 19.572 8.182 0.569 1.00 10.00 H new ATOM 0 HA PHE B 33 20.018 7.012 3.086 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.190 8.606 2.199 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.417 7.217 1.461 1.00 10.00 H new ATOM 0 HD1 PHE B 33 18.492 5.450 4.038 1.00 10.00 H new ATOM 0 HD2 PHE B 33 16.039 8.931 3.451 1.00 10.00 H new ATOM 0 HE1 PHE B 33 17.301 4.975 6.162 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.857 8.454 5.578 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.486 6.478 6.931 1.00 10.00 H new ATOM 1291 N ALA B 34 18.419 4.867 1.178 1.00 10.00 N ATOM 1292 CA ALA B 34 18.199 3.407 1.005 1.00 10.00 C ATOM 1293 C ALA B 34 19.521 2.655 1.154 1.00 10.00 C ATOM 1294 O ALA B 34 19.596 1.639 1.811 1.00 10.00 O ATOM 1295 CB ALA B 34 17.659 3.261 -0.420 1.00 10.00 C ATOM 0 H ALA B 34 17.898 5.461 0.533 1.00 10.00 H new ATOM 0 HA ALA B 34 17.515 2.998 1.748 1.00 10.00 H new ATOM 0 HB1 ALA B 34 17.469 2.209 -0.631 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.731 3.824 -0.517 1.00 10.00 H new ATOM 0 HB3 ALA B 34 18.393 3.646 -1.128 1.00 10.00 H new ATOM 1301 N VAL B 35 20.566 3.143 0.547 1.00 10.00 N ATOM 1302 CA VAL B 35 21.873 2.454 0.648 1.00 10.00 C ATOM 1303 C VAL B 35 22.546 2.768 1.988 1.00 10.00 C ATOM 1304 O VAL B 35 22.974 1.882 2.696 1.00 10.00 O ATOM 1305 CB VAL B 35 22.678 3.024 -0.515 1.00 10.00 C ATOM 1306 CG1 VAL B 35 24.166 2.875 -0.229 1.00 10.00 C ATOM 1307 CG2 VAL B 35 22.327 2.266 -1.793 1.00 10.00 C ATOM 0 H VAL B 35 20.567 3.993 -0.016 1.00 10.00 H new ATOM 0 HA VAL B 35 21.785 1.369 0.602 1.00 10.00 H new ATOM 0 HB VAL B 35 22.439 4.080 -0.639 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.739 3.283 -1.062 1.00 10.00 H new ATOM 0 HG12 VAL B 35 24.417 3.415 0.684 1.00 10.00 H new ATOM 0 HG13 VAL B 35 24.409 1.820 -0.104 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.901 2.672 -2.626 1.00 10.00 H new ATOM 0 HG22 VAL B 35 22.567 1.210 -1.667 1.00 10.00 H new ATOM 0 HG23 VAL B 35 21.262 2.374 -1.999 1.00 10.00 H new ATOM 1317 N GLU B 36 22.650 4.020 2.339 1.00 10.00 N ATOM 1318 CA GLU B 36 23.309 4.380 3.627 1.00 10.00 C ATOM 1319 C GLU B 36 22.594 3.707 4.805 1.00 10.00 C ATOM 1320 O GLU B 36 23.222 3.139 5.678 1.00 10.00 O ATOM 1321 CB GLU B 36 23.201 5.909 3.695 1.00 10.00 C ATOM 1322 CG GLU B 36 22.728 6.356 5.081 1.00 10.00 C ATOM 1323 CD GLU B 36 23.848 6.144 6.099 1.00 10.00 C ATOM 1324 OE1 GLU B 36 24.982 5.984 5.678 1.00 10.00 O ATOM 1325 OE2 GLU B 36 23.555 6.149 7.284 1.00 10.00 O ATOM 0 H GLU B 36 22.308 4.809 1.791 1.00 10.00 H new ATOM 0 HA GLU B 36 24.345 4.045 3.681 1.00 10.00 H new ATOM 0 HB2 GLU B 36 24.170 6.357 3.474 1.00 10.00 H new ATOM 0 HB3 GLU B 36 22.504 6.264 2.935 1.00 10.00 H new ATOM 0 HG2 GLU B 36 22.440 7.407 5.056 1.00 10.00 H new ATOM 0 HG3 GLU B 36 21.844 5.790 5.375 1.00 10.00 H new ATOM 1332 N TYR B 37 21.293 3.766 4.843 1.00 10.00 N ATOM 1333 CA TYR B 37 20.556 3.130 5.972 1.00 10.00 C ATOM 1334 C TYR B 37 20.669 1.607 5.887 1.00 10.00 C ATOM 1335 O TYR B 37 21.146 0.959 6.797 1.00 10.00 O ATOM 1336 CB TYR B 37 19.104 3.567 5.798 1.00 10.00 C ATOM 1337 CG TYR B 37 18.219 2.728 6.689 1.00 10.00 C ATOM 1338 CD1 TYR B 37 18.654 2.370 7.972 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.963 2.306 6.233 1.00 10.00 C ATOM 1340 CE1 TYR B 37 17.834 1.591 8.797 1.00 10.00 C ATOM 1341 CE2 TYR B 37 16.144 1.528 7.058 1.00 10.00 C ATOM 1342 CZ TYR B 37 16.579 1.170 8.341 1.00 10.00 C ATOM 1343 OH TYR B 37 15.769 0.404 9.153 1.00 10.00 O ATOM 0 H TYR B 37 20.709 4.225 4.144 1.00 10.00 H new ATOM 0 HA TYR B 37 20.957 3.426 6.942 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.997 4.622 6.050 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.801 3.456 4.757 1.00 10.00 H new ATOM 0 HD1 TYR B 37 19.622 2.695 8.324 1.00 10.00 H new ATOM 0 HD2 TYR B 37 16.627 2.582 5.244 1.00 10.00 H new ATOM 0 HE1 TYR B 37 18.170 1.315 9.786 1.00 10.00 H new ATOM 0 HE2 TYR B 37 15.176 1.203 6.706 1.00 10.00 H new ATOM 0 HH TYR B 37 14.934 0.200 8.683 1.00 10.00 H new ATOM 1353 N PHE B 38 20.234 1.029 4.804 1.00 10.00 N ATOM 1354 CA PHE B 38 20.321 -0.451 4.670 1.00 10.00 C ATOM 1355 C PHE B 38 21.772 -0.910 4.863 1.00 10.00 C ATOM 1356 O PHE B 38 22.106 -1.530 5.856 1.00 10.00 O ATOM 1357 CB PHE B 38 19.828 -0.753 3.252 1.00 10.00 C ATOM 1358 CG PHE B 38 18.323 -0.592 3.188 1.00 10.00 C ATOM 1359 CD1 PHE B 38 17.525 -0.960 4.281 1.00 10.00 C ATOM 1360 CD2 PHE B 38 17.724 -0.073 2.031 1.00 10.00 C ATOM 1361 CE1 PHE B 38 16.133 -0.810 4.216 1.00 10.00 C ATOM 1362 CE2 PHE B 38 16.333 0.076 1.969 1.00 10.00 C ATOM 1363 CZ PHE B 38 15.538 -0.290 3.060 1.00 10.00 C ATOM 0 H PHE B 38 19.823 1.516 4.007 1.00 10.00 H new ATOM 0 HA PHE B 38 19.726 -0.975 5.418 1.00 10.00 H new ATOM 0 HB2 PHE B 38 20.306 -0.080 2.540 1.00 10.00 H new ATOM 0 HB3 PHE B 38 20.107 -1.768 2.968 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.984 -1.359 5.174 1.00 10.00 H new ATOM 0 HD2 PHE B 38 18.336 0.212 1.188 1.00 10.00 H new ATOM 0 HE1 PHE B 38 15.519 -1.095 5.058 1.00 10.00 H new ATOM 0 HE2 PHE B 38 15.873 0.474 1.077 1.00 10.00 H new ATOM 0 HZ PHE B 38 14.466 -0.172 3.011 1.00 10.00 H new ATOM 1373 N THR B 39 22.637 -0.610 3.932 1.00 10.00 N ATOM 1374 CA THR B 39 24.063 -1.033 4.080 1.00 10.00 C ATOM 1375 C THR B 39 24.504 -0.877 5.538 1.00 10.00 C ATOM 1376 O THR B 39 25.350 -1.601 6.022 1.00 10.00 O ATOM 1377 CB THR B 39 24.856 -0.097 3.164 1.00 10.00 C ATOM 1378 OG1 THR B 39 24.779 -0.567 1.825 1.00 10.00 O ATOM 1379 CG2 THR B 39 26.318 -0.057 3.604 1.00 10.00 C ATOM 0 H THR B 39 22.422 -0.093 3.079 1.00 10.00 H new ATOM 0 HA THR B 39 24.218 -2.078 3.813 1.00 10.00 H new ATOM 0 HB THR B 39 24.434 0.906 3.225 1.00 10.00 H new ATOM 0 HG1 THR B 39 25.285 0.033 1.238 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.877 0.611 2.948 1.00 10.00 H new ATOM 0 HG22 THR B 39 26.379 0.306 4.630 1.00 10.00 H new ATOM 0 HG23 THR B 39 26.742 -1.059 3.548 1.00 10.00 H new ATOM 1387 N ARG B 40 23.929 0.060 6.244 1.00 10.00 N ATOM 1388 CA ARG B 40 24.308 0.254 7.671 1.00 10.00 C ATOM 1389 C ARG B 40 23.649 -0.823 8.538 1.00 10.00 C ATOM 1390 O ARG B 40 24.221 -1.292 9.501 1.00 10.00 O ATOM 1391 CB ARG B 40 23.781 1.641 8.040 1.00 10.00 C ATOM 1392 CG ARG B 40 24.225 1.996 9.460 1.00 10.00 C ATOM 1393 CD ARG B 40 24.816 3.408 9.471 1.00 10.00 C ATOM 1394 NE ARG B 40 26.037 3.309 10.316 1.00 10.00 N ATOM 1395 CZ ARG B 40 26.054 3.848 11.504 1.00 10.00 C ATOM 1396 NH1 ARG B 40 25.797 5.119 11.646 1.00 10.00 N ATOM 1397 NH2 ARG B 40 26.324 3.116 12.549 1.00 10.00 N ATOM 0 H ARG B 40 23.214 0.698 5.893 1.00 10.00 H new ATOM 0 HA ARG B 40 25.384 0.177 7.829 1.00 10.00 H new ATOM 0 HB2 ARG B 40 24.155 2.383 7.335 1.00 10.00 H new ATOM 0 HB3 ARG B 40 22.693 1.658 7.973 1.00 10.00 H new ATOM 0 HG2 ARG B 40 23.377 1.940 10.143 1.00 10.00 H new ATOM 0 HG3 ARG B 40 24.965 1.277 9.811 1.00 10.00 H new ATOM 0 HD2 ARG B 40 25.060 3.741 8.462 1.00 10.00 H new ATOM 0 HD3 ARG B 40 24.109 4.128 9.882 1.00 10.00 H new ATOM 0 HE ARG B 40 26.861 2.820 9.966 1.00 10.00 H new ATOM 0 HH11 ARG B 40 25.583 5.690 10.829 1.00 10.00 H new ATOM 0 HH12 ARG B 40 25.810 5.541 12.574 1.00 10.00 H new ATOM 0 HH21 ARG B 40 26.522 2.122 12.438 1.00 10.00 H new ATOM 0 HH22 ARG B 40 26.337 3.538 13.478 1.00 10.00 H new ATOM 1411 N LEU B 41 22.452 -1.224 8.202 1.00 10.00 N ATOM 1412 CA LEU B 41 21.770 -2.275 9.012 1.00 10.00 C ATOM 1413 C LEU B 41 22.628 -3.539 9.047 1.00 10.00 C ATOM 1414 O LEU B 41 23.047 -3.982 10.092 1.00 10.00 O ATOM 1415 CB LEU B 41 20.448 -2.551 8.294 1.00 10.00 C ATOM 1416 CG LEU B 41 19.287 -2.287 9.255 1.00 10.00 C ATOM 1417 CD1 LEU B 41 17.961 -2.392 8.500 1.00 10.00 C ATOM 1418 CD2 LEU B 41 19.316 -3.323 10.381 1.00 10.00 C ATOM 0 H LEU B 41 21.919 -0.872 7.407 1.00 10.00 H new ATOM 0 HA LEU B 41 21.609 -1.959 10.043 1.00 10.00 H new ATOM 0 HB2 LEU B 41 20.359 -1.914 7.414 1.00 10.00 H new ATOM 0 HB3 LEU B 41 20.419 -3.583 7.945 1.00 10.00 H new ATOM 0 HG LEU B 41 19.384 -1.286 9.676 1.00 10.00 H new ATOM 0 HD11 LEU B 41 17.136 -2.204 9.186 1.00 10.00 H new ATOM 0 HD12 LEU B 41 17.940 -1.655 7.697 1.00 10.00 H new ATOM 0 HD13 LEU B 41 17.861 -3.392 8.078 1.00 10.00 H new ATOM 0 HD21 LEU B 41 18.490 -3.137 11.067 1.00 10.00 H new ATOM 0 HD22 LEU B 41 19.219 -4.323 9.958 1.00 10.00 H new ATOM 0 HD23 LEU B 41 20.260 -3.248 10.921 1.00 10.00 H new ATOM 1430 N ARG B 42 22.881 -4.126 7.911 1.00 10.00 N ATOM 1431 CA ARG B 42 23.708 -5.372 7.884 1.00 10.00 C ATOM 1432 C ARG B 42 24.825 -5.283 8.930 1.00 10.00 C ATOM 1433 O ARG B 42 25.139 -6.246 9.599 1.00 10.00 O ATOM 1434 CB ARG B 42 24.323 -5.502 6.474 1.00 10.00 C ATOM 1435 CG ARG B 42 24.033 -4.278 5.595 1.00 10.00 C ATOM 1436 CD ARG B 42 22.737 -4.517 4.811 1.00 10.00 C ATOM 1437 NE ARG B 42 21.707 -3.671 5.475 1.00 10.00 N ATOM 1438 CZ ARG B 42 20.460 -4.054 5.524 1.00 10.00 C ATOM 1439 NH1 ARG B 42 20.057 -4.844 6.481 1.00 10.00 N ATOM 1440 NH2 ARG B 42 19.618 -3.653 4.615 1.00 10.00 N ATOM 0 H ARG B 42 22.554 -3.801 7.001 1.00 10.00 H new ATOM 0 HA ARG B 42 23.090 -6.240 8.113 1.00 10.00 H new ATOM 0 HB2 ARG B 42 25.401 -5.636 6.562 1.00 10.00 H new ATOM 0 HB3 ARG B 42 23.929 -6.396 5.990 1.00 10.00 H new ATOM 0 HG2 ARG B 42 23.939 -3.385 6.213 1.00 10.00 H new ATOM 0 HG3 ARG B 42 24.861 -4.104 4.908 1.00 10.00 H new ATOM 0 HD2 ARG B 42 22.856 -4.241 3.763 1.00 10.00 H new ATOM 0 HD3 ARG B 42 22.454 -5.569 4.833 1.00 10.00 H new ATOM 0 HE ARG B 42 21.979 -2.783 5.896 1.00 10.00 H new ATOM 0 HH11 ARG B 42 20.716 -5.162 7.191 1.00 10.00 H new ATOM 0 HH12 ARG B 42 19.083 -5.143 6.519 1.00 10.00 H new ATOM 0 HH21 ARG B 42 19.933 -3.039 3.864 1.00 10.00 H new ATOM 0 HH22 ARG B 42 18.644 -3.953 4.654 1.00 10.00 H new ATOM 1454 N GLU B 43 25.427 -4.134 9.073 1.00 10.00 N ATOM 1455 CA GLU B 43 26.523 -3.982 10.074 1.00 10.00 C ATOM 1456 C GLU B 43 25.941 -3.630 11.446 1.00 10.00 C ATOM 1457 O GLU B 43 26.645 -3.212 12.344 1.00 10.00 O ATOM 1458 CB GLU B 43 27.383 -2.834 9.546 1.00 10.00 C ATOM 1459 CG GLU B 43 28.617 -3.399 8.842 1.00 10.00 C ATOM 1460 CD GLU B 43 28.991 -2.496 7.664 1.00 10.00 C ATOM 1461 OE1 GLU B 43 29.186 -1.314 7.888 1.00 10.00 O ATOM 1462 OE2 GLU B 43 29.074 -3.003 6.557 1.00 10.00 O ATOM 0 H GLU B 43 25.208 -3.293 8.540 1.00 10.00 H new ATOM 0 HA GLU B 43 27.099 -4.899 10.200 1.00 10.00 H new ATOM 0 HB2 GLU B 43 26.805 -2.222 8.853 1.00 10.00 H new ATOM 0 HB3 GLU B 43 27.686 -2.185 10.368 1.00 10.00 H new ATOM 0 HG2 GLU B 43 29.450 -3.465 9.542 1.00 10.00 H new ATOM 0 HG3 GLU B 43 28.416 -4.411 8.489 1.00 10.00 H new ATOM 1469 N ALA B 44 24.658 -3.794 11.609 1.00 10.00 N ATOM 1470 CA ALA B 44 24.015 -3.473 12.917 1.00 10.00 C ATOM 1471 C ALA B 44 24.853 -4.002 14.069 1.00 10.00 C ATOM 1472 O ALA B 44 25.341 -3.257 14.896 1.00 10.00 O ATOM 1473 CB ALA B 44 22.684 -4.216 12.906 1.00 10.00 C ATOM 0 H ALA B 44 24.022 -4.138 10.889 1.00 10.00 H new ATOM 0 HA ALA B 44 23.903 -2.396 13.046 1.00 10.00 H new ATOM 0 HB1 ALA B 44 22.154 -4.027 13.839 1.00 10.00 H new ATOM 0 HB2 ALA B 44 22.080 -3.868 12.068 1.00 10.00 H new ATOM 0 HB3 ALA B 44 22.865 -5.286 12.803 1.00 10.00 H new ATOM 1479 N ARG B 45 24.992 -5.298 14.135 1.00 10.00 N ATOM 1480 CA ARG B 45 25.766 -5.922 15.238 1.00 10.00 C ATOM 1481 C ARG B 45 26.821 -4.951 15.787 1.00 10.00 C ATOM 1482 O ARG B 45 27.934 -4.874 15.310 1.00 10.00 O ATOM 1483 CB ARG B 45 26.397 -7.183 14.622 1.00 10.00 C ATOM 1484 CG ARG B 45 27.730 -6.857 13.933 1.00 10.00 C ATOM 1485 CD ARG B 45 27.558 -5.666 12.985 1.00 10.00 C ATOM 1486 NE ARG B 45 28.858 -4.941 13.041 1.00 10.00 N ATOM 1487 CZ ARG B 45 29.969 -5.570 12.772 1.00 10.00 C ATOM 1488 NH1 ARG B 45 30.140 -6.122 11.602 1.00 10.00 N ATOM 1489 NH2 ARG B 45 30.909 -5.647 13.672 1.00 10.00 N ATOM 0 H ARG B 45 24.597 -5.956 13.463 1.00 10.00 H new ATOM 0 HA ARG B 45 25.139 -6.176 16.093 1.00 10.00 H new ATOM 0 HB2 ARG B 45 26.560 -7.929 15.400 1.00 10.00 H new ATOM 0 HB3 ARG B 45 25.709 -7.621 13.899 1.00 10.00 H new ATOM 0 HG2 ARG B 45 28.488 -6.629 14.682 1.00 10.00 H new ATOM 0 HG3 ARG B 45 28.082 -7.726 13.377 1.00 10.00 H new ATOM 0 HD2 ARG B 45 27.334 -5.997 11.971 1.00 10.00 H new ATOM 0 HD3 ARG B 45 26.734 -5.025 13.301 1.00 10.00 H new ATOM 0 HE ARG B 45 28.880 -3.952 13.290 1.00 10.00 H new ATOM 0 HH11 ARG B 45 29.405 -6.062 10.897 1.00 10.00 H new ATOM 0 HH12 ARG B 45 31.009 -6.614 11.392 1.00 10.00 H new ATOM 0 HH21 ARG B 45 30.776 -5.215 14.587 1.00 10.00 H new ATOM 0 HH22 ARG B 45 31.777 -6.139 13.462 1.00 10.00 H new ATOM 1503 N ARG B 46 26.467 -4.197 16.791 1.00 10.00 N ATOM 1504 CA ARG B 46 27.435 -3.225 17.371 1.00 10.00 C ATOM 1505 C ARG B 46 28.482 -3.960 18.213 1.00 10.00 C ATOM 1506 O ARG B 46 29.634 -3.567 18.165 1.00 10.00 O ATOM 1507 CB ARG B 46 26.590 -2.304 18.250 1.00 10.00 C ATOM 1508 CG ARG B 46 27.454 -1.149 18.759 1.00 10.00 C ATOM 1509 CD ARG B 46 27.289 0.060 17.834 1.00 10.00 C ATOM 1510 NE ARG B 46 28.512 0.879 18.053 1.00 10.00 N ATOM 1511 CZ ARG B 46 28.453 2.179 17.963 1.00 10.00 C ATOM 1512 NH1 ARG B 46 27.525 2.836 18.603 1.00 10.00 N ATOM 1513 NH2 ARG B 46 29.322 2.823 17.232 1.00 10.00 N ATOM 1514 OXT ARG B 46 28.111 -4.906 18.889 1.00 10.00 O ATOM 0 H ARG B 46 25.549 -4.212 17.235 1.00 10.00 H new ATOM 0 HA ARG B 46 27.977 -2.672 16.604 1.00 10.00 H new ATOM 0 HB2 ARG B 46 25.745 -1.916 17.681 1.00 10.00 H new ATOM 0 HB3 ARG B 46 26.179 -2.863 19.091 1.00 10.00 H new ATOM 0 HG2 ARG B 46 27.164 -0.884 19.776 1.00 10.00 H new ATOM 0 HG3 ARG B 46 28.500 -1.452 18.795 1.00 10.00 H new ATOM 0 HD2 ARG B 46 27.201 -0.249 16.792 1.00 10.00 H new ATOM 0 HD3 ARG B 46 26.388 0.623 18.077 1.00 10.00 H new ATOM 0 HE ARG B 46 29.397 0.423 18.274 1.00 10.00 H new ATOM 0 HH11 ARG B 46 26.846 2.333 19.174 1.00 10.00 H new ATOM 0 HH12 ARG B 46 27.479 3.853 18.533 1.00 10.00 H new ATOM 0 HH21 ARG B 46 30.047 2.310 16.731 1.00 10.00 H new ATOM 0 HH22 ARG B 46 29.276 3.840 17.162 1.00 10.00 H new TER 1528 ARG B 46