USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=14 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= -0.0286 X(o=-0.029,f=-0.095) USER MOD Single : A 1 HIS N :NH3+ -128:sc= 0 (180deg=-0.0611) USER MOD Single : A 2 MET CE :methyl -135:sc= -0.0791 (180deg=-0.405) USER MOD Single : A 4 HIS : no HD1:sc= -0.454 K(o=-0.45,f=-0.98) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.0043) USER MOD Single : A 18 TYR OH : rot -59:sc= -11.3! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -140:sc= -4.06! USER MOD Single : B 1 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=-0.1) USER MOD Single : B 1 HIS N :NH3+ -126:sc= 0 (180deg=-0.0517) USER MOD Single : B 2 MET CE :methyl -124:sc= -0.0581 (180deg=-0.331) USER MOD Single : B 4 HIS : no HD1:sc= -0.449 K(o=-0.45,f=-0.96) USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.0022) USER MOD Single : B 18 TYR OH : rot -59:sc= -11.4! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot -140:sc= -3.88! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -7.403 2.219 8.230 1.00 10.00 N ATOM 2 CA HIS A 1 -6.684 3.499 8.498 1.00 10.00 C ATOM 3 C HIS A 1 -5.294 3.469 7.859 1.00 10.00 C ATOM 4 O HIS A 1 -4.339 3.003 8.449 1.00 10.00 O ATOM 5 CB HIS A 1 -6.574 3.577 10.021 1.00 10.00 C ATOM 6 CG HIS A 1 -7.915 3.929 10.604 1.00 10.00 C ATOM 7 ND1 HIS A 1 -8.757 2.972 11.148 1.00 10.00 N ATOM 8 CD2 HIS A 1 -8.573 5.127 10.735 1.00 10.00 C ATOM 9 CE1 HIS A 1 -9.864 3.606 11.578 1.00 10.00 C ATOM 10 NE2 HIS A 1 -9.803 4.921 11.351 1.00 10.00 N ATOM 0 H1 HIS A 1 -8.339 2.425 7.827 1.00 10.00 H new ATOM 0 H2 HIS A 1 -6.854 1.647 7.557 1.00 10.00 H new ATOM 0 H3 HIS A 1 -7.517 1.692 9.119 1.00 10.00 H new ATOM 0 HA HIS A 1 -7.204 4.361 8.082 1.00 10.00 H new ATOM 0 HB2 HIS A 1 -6.231 2.623 10.421 1.00 10.00 H new ATOM 0 HB3 HIS A 1 -5.834 4.326 10.305 1.00 10.00 H new ATOM 0 HD2 HIS A 1 -8.193 6.084 10.409 1.00 10.00 H new ATOM 0 HE1 HIS A 1 -10.700 3.111 12.049 1.00 10.00 H new ATOM 0 HE2 HIS A 1 -10.507 5.623 11.580 1.00 10.00 H new ATOM 20 N MET A 2 -5.172 3.963 6.657 1.00 10.00 N ATOM 21 CA MET A 2 -3.842 3.962 5.981 1.00 10.00 C ATOM 22 C MET A 2 -3.678 5.224 5.129 1.00 10.00 C ATOM 23 O MET A 2 -2.750 5.344 4.354 1.00 10.00 O ATOM 24 CB MET A 2 -3.849 2.715 5.097 1.00 10.00 C ATOM 25 CG MET A 2 -4.991 2.813 4.085 1.00 10.00 C ATOM 26 SD MET A 2 -6.294 1.637 4.528 1.00 10.00 S ATOM 27 CE MET A 2 -5.402 0.132 4.063 1.00 10.00 C ATOM 0 H MET A 2 -5.935 4.367 6.114 1.00 10.00 H new ATOM 0 HA MET A 2 -3.017 3.953 6.694 1.00 10.00 H new ATOM 0 HB2 MET A 2 -2.896 2.619 4.577 1.00 10.00 H new ATOM 0 HB3 MET A 2 -3.968 1.822 5.711 1.00 10.00 H new ATOM 0 HG2 MET A 2 -5.391 3.827 4.070 1.00 10.00 H new ATOM 0 HG3 MET A 2 -4.621 2.601 3.082 1.00 10.00 H new ATOM 0 HE1 MET A 2 -6.065 -0.524 3.499 1.00 10.00 H new ATOM 0 HE2 MET A 2 -4.542 0.394 3.447 1.00 10.00 H new ATOM 0 HE3 MET A 2 -5.062 -0.382 4.962 1.00 10.00 H new ATOM 37 N GLY A 3 -4.572 6.164 5.266 1.00 10.00 N ATOM 38 CA GLY A 3 -4.465 7.417 4.463 1.00 10.00 C ATOM 39 C GLY A 3 -3.191 8.166 4.857 1.00 10.00 C ATOM 40 O GLY A 3 -2.781 9.100 4.196 1.00 10.00 O ATOM 0 H GLY A 3 -5.371 6.120 5.898 1.00 10.00 H new ATOM 0 HA2 GLY A 3 -4.446 7.180 3.399 1.00 10.00 H new ATOM 0 HA3 GLY A 3 -5.338 8.047 4.634 1.00 10.00 H new ATOM 44 N HIS A 4 -2.562 7.766 5.927 1.00 10.00 N ATOM 45 CA HIS A 4 -1.314 8.456 6.361 1.00 10.00 C ATOM 46 C HIS A 4 -0.136 7.478 6.347 1.00 10.00 C ATOM 47 O HIS A 4 0.730 7.521 7.197 1.00 10.00 O ATOM 48 CB HIS A 4 -1.598 8.930 7.787 1.00 10.00 C ATOM 49 CG HIS A 4 -0.532 9.900 8.217 1.00 10.00 C ATOM 50 ND1 HIS A 4 0.458 9.556 9.125 1.00 10.00 N ATOM 51 CD2 HIS A 4 -0.286 11.205 7.871 1.00 10.00 C ATOM 52 CE1 HIS A 4 1.246 10.633 9.292 1.00 10.00 C ATOM 53 NE2 HIS A 4 0.837 11.666 8.552 1.00 10.00 N ATOM 0 H HIS A 4 -2.858 6.991 6.520 1.00 10.00 H new ATOM 0 HA HIS A 4 -1.049 9.282 5.701 1.00 10.00 H new ATOM 0 HB2 HIS A 4 -2.578 9.406 7.835 1.00 10.00 H new ATOM 0 HB3 HIS A 4 -1.624 8.078 8.466 1.00 10.00 H new ATOM 0 HD2 HIS A 4 -0.874 11.786 7.176 1.00 10.00 H new ATOM 0 HE1 HIS A 4 2.105 10.659 9.946 1.00 10.00 H new ATOM 0 HE2 HIS A 4 1.257 12.594 8.497 1.00 10.00 H new ATOM 61 N ILE A 5 -0.099 6.593 5.387 1.00 10.00 N ATOM 62 CA ILE A 5 1.023 5.612 5.319 1.00 10.00 C ATOM 63 C ILE A 5 1.496 5.456 3.872 1.00 10.00 C ATOM 64 O ILE A 5 1.925 4.401 3.452 1.00 10.00 O ATOM 65 CB ILE A 5 0.432 4.306 5.864 1.00 10.00 C ATOM 66 CG1 ILE A 5 1.545 3.463 6.510 1.00 10.00 C ATOM 67 CG2 ILE A 5 -0.240 3.516 4.735 1.00 10.00 C ATOM 68 CD1 ILE A 5 2.270 2.628 5.450 1.00 10.00 C ATOM 0 H ILE A 5 -0.796 6.507 4.648 1.00 10.00 H new ATOM 0 HA ILE A 5 1.896 5.924 5.893 1.00 10.00 H new ATOM 0 HB ILE A 5 -0.319 4.543 6.617 1.00 10.00 H new ATOM 0 HG12 ILE A 5 2.256 4.116 7.016 1.00 10.00 H new ATOM 0 HG13 ILE A 5 1.118 2.807 7.269 1.00 10.00 H new ATOM 0 HG21 ILE A 5 -0.655 2.591 5.135 1.00 10.00 H new ATOM 0 HG22 ILE A 5 -1.040 4.114 4.299 1.00 10.00 H new ATOM 0 HG23 ILE A 5 0.497 3.280 3.967 1.00 10.00 H new ATOM 0 HD11 ILE A 5 3.054 2.038 5.925 1.00 10.00 H new ATOM 0 HD12 ILE A 5 1.559 1.961 4.963 1.00 10.00 H new ATOM 0 HD13 ILE A 5 2.714 3.290 4.707 1.00 10.00 H new ATOM 80 N GLN A 6 1.424 6.507 3.109 1.00 10.00 N ATOM 81 CA GLN A 6 1.869 6.429 1.688 1.00 10.00 C ATOM 82 C GLN A 6 2.196 7.825 1.147 1.00 10.00 C ATOM 83 O GLN A 6 1.661 8.250 0.143 1.00 10.00 O ATOM 84 CB GLN A 6 0.683 5.829 0.935 1.00 10.00 C ATOM 85 CG GLN A 6 0.548 4.349 1.292 1.00 10.00 C ATOM 86 CD GLN A 6 -0.269 3.636 0.215 1.00 10.00 C ATOM 87 OE1 GLN A 6 -1.460 3.844 0.102 1.00 10.00 O ATOM 88 NE2 GLN A 6 0.325 2.797 -0.589 1.00 10.00 N ATOM 0 H GLN A 6 1.076 7.419 3.406 1.00 10.00 H new ATOM 0 HA GLN A 6 2.773 5.830 1.576 1.00 10.00 H new ATOM 0 HB2 GLN A 6 -0.232 6.361 1.194 1.00 10.00 H new ATOM 0 HB3 GLN A 6 0.825 5.943 -0.140 1.00 10.00 H new ATOM 0 HG2 GLN A 6 1.534 3.893 1.376 1.00 10.00 H new ATOM 0 HG3 GLN A 6 0.063 4.241 2.262 1.00 10.00 H new ATOM 0 HE21 GLN A 6 1.325 2.622 -0.495 1.00 10.00 H new ATOM 0 HE22 GLN A 6 -0.211 2.317 -1.312 1.00 10.00 H new ATOM 97 N ILE A 7 3.077 8.537 1.796 1.00 10.00 N ATOM 98 CA ILE A 7 3.439 9.898 1.302 1.00 10.00 C ATOM 99 C ILE A 7 4.941 9.986 1.008 1.00 10.00 C ATOM 100 O ILE A 7 5.558 11.006 1.242 1.00 10.00 O ATOM 101 CB ILE A 7 3.053 10.858 2.429 1.00 10.00 C ATOM 102 CG1 ILE A 7 3.284 10.186 3.790 1.00 10.00 C ATOM 103 CG2 ILE A 7 1.580 11.239 2.285 1.00 10.00 C ATOM 104 CD1 ILE A 7 2.087 9.299 4.142 1.00 10.00 C ATOM 0 H ILE A 7 3.560 8.238 2.643 1.00 10.00 H new ATOM 0 HA ILE A 7 2.924 10.139 0.372 1.00 10.00 H new ATOM 0 HB ILE A 7 3.670 11.755 2.368 1.00 10.00 H new ATOM 0 HG12 ILE A 7 4.195 9.588 3.760 1.00 10.00 H new ATOM 0 HG13 ILE A 7 3.425 10.944 4.560 1.00 10.00 H new ATOM 0 HG21 ILE A 7 1.301 11.923 3.086 1.00 10.00 H new ATOM 0 HG22 ILE A 7 1.422 11.725 1.322 1.00 10.00 H new ATOM 0 HG23 ILE A 7 0.965 10.341 2.344 1.00 10.00 H new ATOM 0 HD11 ILE A 7 2.257 8.825 5.109 1.00 10.00 H new ATOM 0 HD12 ILE A 7 1.184 9.908 4.190 1.00 10.00 H new ATOM 0 HD13 ILE A 7 1.966 8.531 3.378 1.00 10.00 H new ATOM 116 N PRO A 8 5.481 8.910 0.496 1.00 10.00 N ATOM 117 CA PRO A 8 6.926 8.867 0.159 1.00 10.00 C ATOM 118 C PRO A 8 7.212 9.699 -1.097 1.00 10.00 C ATOM 119 O PRO A 8 6.444 9.681 -2.038 1.00 10.00 O ATOM 120 CB PRO A 8 7.190 7.395 -0.101 1.00 10.00 C ATOM 121 CG PRO A 8 5.871 6.835 -0.505 1.00 10.00 C ATOM 122 CD PRO A 8 4.811 7.646 0.190 1.00 10.00 C ATOM 0 HA PRO A 8 7.558 9.278 0.946 1.00 10.00 H new ATOM 0 HB2 PRO A 8 7.934 7.260 -0.886 1.00 10.00 H new ATOM 0 HB3 PRO A 8 7.574 6.899 0.791 1.00 10.00 H new ATOM 0 HG2 PRO A 8 5.747 6.886 -1.587 1.00 10.00 H new ATOM 0 HG3 PRO A 8 5.797 5.784 -0.225 1.00 10.00 H new ATOM 0 HD2 PRO A 8 3.941 7.799 -0.449 1.00 10.00 H new ATOM 0 HD3 PRO A 8 4.458 7.151 1.095 1.00 10.00 H new ATOM 130 N PRO A 9 8.307 10.408 -1.063 1.00 10.00 N ATOM 131 CA PRO A 9 8.694 11.261 -2.210 1.00 10.00 C ATOM 132 C PRO A 9 9.365 10.445 -3.315 1.00 10.00 C ATOM 133 O PRO A 9 10.410 9.855 -3.123 1.00 10.00 O ATOM 134 CB PRO A 9 9.679 12.251 -1.598 1.00 10.00 C ATOM 135 CG PRO A 9 10.251 11.556 -0.398 1.00 10.00 C ATOM 136 CD PRO A 9 9.274 10.487 0.035 1.00 10.00 C ATOM 0 HA PRO A 9 7.836 11.741 -2.682 1.00 10.00 H new ATOM 0 HB2 PRO A 9 10.462 12.516 -2.309 1.00 10.00 H new ATOM 0 HB3 PRO A 9 9.179 13.177 -1.314 1.00 10.00 H new ATOM 0 HG2 PRO A 9 11.217 11.113 -0.639 1.00 10.00 H new ATOM 0 HG3 PRO A 9 10.419 12.268 0.410 1.00 10.00 H new ATOM 0 HD2 PRO A 9 9.775 9.532 0.192 1.00 10.00 H new ATOM 0 HD3 PRO A 9 8.788 10.751 0.974 1.00 10.00 H new ATOM 144 N GLY A 10 8.771 10.423 -4.477 1.00 10.00 N ATOM 145 CA GLY A 10 9.363 9.663 -5.614 1.00 10.00 C ATOM 146 C GLY A 10 9.797 8.271 -5.149 1.00 10.00 C ATOM 147 O GLY A 10 10.522 7.580 -5.839 1.00 10.00 O ATOM 0 H GLY A 10 7.896 10.902 -4.688 1.00 10.00 H new ATOM 0 HA2 GLY A 10 8.635 9.575 -6.420 1.00 10.00 H new ATOM 0 HA3 GLY A 10 10.220 10.204 -6.016 1.00 10.00 H new ATOM 151 N LEU A 11 9.364 7.846 -3.995 1.00 10.00 N ATOM 152 CA LEU A 11 9.767 6.493 -3.517 1.00 10.00 C ATOM 153 C LEU A 11 8.817 5.432 -4.080 1.00 10.00 C ATOM 154 O LEU A 11 9.232 4.363 -4.477 1.00 10.00 O ATOM 155 CB LEU A 11 9.667 6.546 -1.993 1.00 10.00 C ATOM 156 CG LEU A 11 10.920 5.923 -1.375 1.00 10.00 C ATOM 157 CD1 LEU A 11 10.679 5.664 0.114 1.00 10.00 C ATOM 158 CD2 LEU A 11 11.231 4.599 -2.076 1.00 10.00 C ATOM 0 H LEU A 11 8.755 8.370 -3.367 1.00 10.00 H new ATOM 0 HA LEU A 11 10.774 6.230 -3.842 1.00 10.00 H new ATOM 0 HB2 LEU A 11 9.560 7.579 -1.661 1.00 10.00 H new ATOM 0 HB3 LEU A 11 8.779 6.010 -1.658 1.00 10.00 H new ATOM 0 HG LEU A 11 11.761 6.605 -1.496 1.00 10.00 H new ATOM 0 HD11 LEU A 11 11.571 5.220 0.555 1.00 10.00 H new ATOM 0 HD12 LEU A 11 10.456 6.606 0.616 1.00 10.00 H new ATOM 0 HD13 LEU A 11 9.837 4.982 0.233 1.00 10.00 H new ATOM 0 HD21 LEU A 11 12.124 4.155 -1.636 1.00 10.00 H new ATOM 0 HD22 LEU A 11 10.389 3.917 -1.955 1.00 10.00 H new ATOM 0 HD23 LEU A 11 11.402 4.780 -3.137 1.00 10.00 H new ATOM 170 N THR A 12 7.545 5.721 -4.119 1.00 10.00 N ATOM 171 CA THR A 12 6.575 4.725 -4.658 1.00 10.00 C ATOM 172 C THR A 12 7.122 4.108 -5.945 1.00 10.00 C ATOM 173 O THR A 12 6.969 2.929 -6.195 1.00 10.00 O ATOM 174 CB THR A 12 5.300 5.522 -4.941 1.00 10.00 C ATOM 175 OG1 THR A 12 4.653 5.827 -3.714 1.00 10.00 O ATOM 176 CG2 THR A 12 4.364 4.694 -5.822 1.00 10.00 C ATOM 0 H THR A 12 7.136 6.600 -3.802 1.00 10.00 H new ATOM 0 HA THR A 12 6.392 3.905 -3.963 1.00 10.00 H new ATOM 0 HB THR A 12 5.556 6.447 -5.457 1.00 10.00 H new ATOM 0 HG1 THR A 12 3.837 6.339 -3.893 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.456 5.263 -6.023 1.00 10.00 H new ATOM 0 HG22 THR A 12 4.862 4.461 -6.763 1.00 10.00 H new ATOM 0 HG23 THR A 12 4.106 3.768 -5.309 1.00 10.00 H new ATOM 184 N GLU A 13 7.763 4.896 -6.758 1.00 10.00 N ATOM 185 CA GLU A 13 8.329 4.359 -8.028 1.00 10.00 C ATOM 186 C GLU A 13 9.417 3.329 -7.716 1.00 10.00 C ATOM 187 O GLU A 13 9.394 2.218 -8.207 1.00 10.00 O ATOM 188 CB GLU A 13 8.925 5.573 -8.741 1.00 10.00 C ATOM 189 CG GLU A 13 8.476 5.579 -10.204 1.00 10.00 C ATOM 190 CD GLU A 13 9.596 6.144 -11.079 1.00 10.00 C ATOM 191 OE1 GLU A 13 9.741 7.355 -11.111 1.00 10.00 O ATOM 192 OE2 GLU A 13 10.289 5.357 -11.701 1.00 10.00 O ATOM 0 H GLU A 13 7.921 5.891 -6.600 1.00 10.00 H new ATOM 0 HA GLU A 13 7.579 3.859 -8.641 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.605 6.491 -8.248 1.00 10.00 H new ATOM 0 HB3 GLU A 13 10.013 5.543 -8.684 1.00 10.00 H new ATOM 0 HG2 GLU A 13 8.226 4.567 -10.523 1.00 10.00 H new ATOM 0 HG3 GLU A 13 7.574 6.180 -10.316 1.00 10.00 H new ATOM 199 N LEU A 14 10.366 3.688 -6.894 1.00 10.00 N ATOM 200 CA LEU A 14 11.451 2.727 -6.543 1.00 10.00 C ATOM 201 C LEU A 14 10.856 1.508 -5.836 1.00 10.00 C ATOM 202 O LEU A 14 11.238 0.382 -6.089 1.00 10.00 O ATOM 203 CB LEU A 14 12.375 3.497 -5.599 1.00 10.00 C ATOM 204 CG LEU A 14 13.156 4.548 -6.390 1.00 10.00 C ATOM 205 CD1 LEU A 14 12.580 5.936 -6.102 1.00 10.00 C ATOM 206 CD2 LEU A 14 14.626 4.511 -5.972 1.00 10.00 C ATOM 0 H LEU A 14 10.437 4.604 -6.451 1.00 10.00 H new ATOM 0 HA LEU A 14 11.984 2.362 -7.421 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.791 3.978 -4.814 1.00 10.00 H new ATOM 0 HB3 LEU A 14 13.064 2.810 -5.108 1.00 10.00 H new ATOM 0 HG LEU A 14 13.075 4.335 -7.456 1.00 10.00 H new ATOM 0 HD11 LEU A 14 13.136 6.685 -6.666 1.00 10.00 H new ATOM 0 HD12 LEU A 14 11.532 5.964 -6.399 1.00 10.00 H new ATOM 0 HD13 LEU A 14 12.661 6.150 -5.036 1.00 10.00 H new ATOM 0 HD21 LEU A 14 15.183 5.260 -6.535 1.00 10.00 H new ATOM 0 HD22 LEU A 14 14.707 4.724 -4.906 1.00 10.00 H new ATOM 0 HD23 LEU A 14 15.038 3.523 -6.176 1.00 10.00 H new ATOM 218 N LEU A 15 9.919 1.724 -4.953 1.00 10.00 N ATOM 219 CA LEU A 15 9.294 0.579 -4.232 1.00 10.00 C ATOM 220 C LEU A 15 8.567 -0.330 -5.224 1.00 10.00 C ATOM 221 O LEU A 15 8.802 -1.522 -5.274 1.00 10.00 O ATOM 222 CB LEU A 15 8.301 1.216 -3.259 1.00 10.00 C ATOM 223 CG LEU A 15 8.728 0.913 -1.823 1.00 10.00 C ATOM 224 CD1 LEU A 15 10.093 1.546 -1.551 1.00 10.00 C ATOM 225 CD2 LEU A 15 7.695 1.491 -0.853 1.00 10.00 C ATOM 0 H LEU A 15 9.559 2.644 -4.700 1.00 10.00 H new ATOM 0 HA LEU A 15 10.030 -0.037 -3.715 1.00 10.00 H new ATOM 0 HB2 LEU A 15 8.260 2.294 -3.418 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.298 0.829 -3.441 1.00 10.00 H new ATOM 0 HG LEU A 15 8.795 -0.166 -1.684 1.00 10.00 H new ATOM 0 HD11 LEU A 15 10.397 1.330 -0.527 1.00 10.00 H new ATOM 0 HD12 LEU A 15 10.829 1.135 -2.242 1.00 10.00 H new ATOM 0 HD13 LEU A 15 10.028 2.625 -1.690 1.00 10.00 H new ATOM 0 HD21 LEU A 15 7.998 1.276 0.172 1.00 10.00 H new ATOM 0 HD22 LEU A 15 7.628 2.570 -0.993 1.00 10.00 H new ATOM 0 HD23 LEU A 15 6.722 1.039 -1.046 1.00 10.00 H new ATOM 237 N GLN A 16 7.688 0.221 -6.017 1.00 10.00 N ATOM 238 CA GLN A 16 6.952 -0.614 -7.008 1.00 10.00 C ATOM 239 C GLN A 16 7.902 -1.643 -7.622 1.00 10.00 C ATOM 240 O GLN A 16 7.737 -2.834 -7.451 1.00 10.00 O ATOM 241 CB GLN A 16 6.468 0.368 -8.074 1.00 10.00 C ATOM 242 CG GLN A 16 5.037 0.015 -8.480 1.00 10.00 C ATOM 243 CD GLN A 16 4.703 0.688 -9.813 1.00 10.00 C ATOM 244 OE1 GLN A 16 3.763 1.453 -9.901 1.00 10.00 O ATOM 245 NE2 GLN A 16 5.438 0.433 -10.861 1.00 10.00 N ATOM 0 H GLN A 16 7.448 1.212 -6.021 1.00 10.00 H new ATOM 0 HA GLN A 16 6.125 -1.163 -6.558 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.507 1.387 -7.690 1.00 10.00 H new ATOM 0 HB3 GLN A 16 7.124 0.330 -8.944 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.929 -1.066 -8.569 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.338 0.342 -7.710 1.00 10.00 H new ATOM 0 HE21 GLN A 16 6.227 -0.209 -10.787 1.00 10.00 H new ATOM 0 HE22 GLN A 16 5.223 0.876 -11.754 1.00 10.00 H new ATOM 254 N GLY A 17 8.904 -1.191 -8.324 1.00 10.00 N ATOM 255 CA GLY A 17 9.868 -2.148 -8.932 1.00 10.00 C ATOM 256 C GLY A 17 10.291 -3.157 -7.866 1.00 10.00 C ATOM 257 O GLY A 17 10.173 -4.353 -8.049 1.00 10.00 O ATOM 0 H GLY A 17 9.096 -0.205 -8.502 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.410 -2.661 -9.778 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.738 -1.616 -9.316 1.00 10.00 H new ATOM 261 N TYR A 18 10.776 -2.682 -6.751 1.00 10.00 N ATOM 262 CA TYR A 18 11.201 -3.604 -5.665 1.00 10.00 C ATOM 263 C TYR A 18 10.241 -4.791 -5.564 1.00 10.00 C ATOM 264 O TYR A 18 10.621 -5.928 -5.765 1.00 10.00 O ATOM 265 CB TYR A 18 11.139 -2.760 -4.393 1.00 10.00 C ATOM 266 CG TYR A 18 12.227 -3.213 -3.458 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.517 -3.422 -3.952 1.00 10.00 C ATOM 268 CD2 TYR A 18 11.947 -3.433 -2.105 1.00 10.00 C ATOM 269 CE1 TYR A 18 14.533 -3.855 -3.093 1.00 10.00 C ATOM 270 CE2 TYR A 18 12.960 -3.869 -1.244 1.00 10.00 C ATOM 271 CZ TYR A 18 14.254 -4.080 -1.738 1.00 10.00 C ATOM 272 OH TYR A 18 15.253 -4.513 -0.892 1.00 10.00 O ATOM 0 H TYR A 18 10.896 -1.690 -6.547 1.00 10.00 H new ATOM 0 HA TYR A 18 12.194 -4.017 -5.840 1.00 10.00 H new ATOM 0 HB2 TYR A 18 11.264 -1.704 -4.634 1.00 10.00 H new ATOM 0 HB3 TYR A 18 10.164 -2.865 -3.917 1.00 10.00 H new ATOM 0 HD1 TYR A 18 13.730 -3.249 -4.997 1.00 10.00 H new ATOM 0 HD2 TYR A 18 10.950 -3.266 -1.725 1.00 10.00 H new ATOM 0 HE1 TYR A 18 15.531 -4.016 -3.474 1.00 10.00 H new ATOM 0 HE2 TYR A 18 12.745 -4.043 -0.200 1.00 10.00 H new ATOM 0 HH TYR A 18 15.610 -5.366 -1.217 1.00 10.00 H new ATOM 282 N THR A 19 9.000 -4.534 -5.255 1.00 10.00 N ATOM 283 CA THR A 19 8.014 -5.647 -5.139 1.00 10.00 C ATOM 284 C THR A 19 8.081 -6.545 -6.379 1.00 10.00 C ATOM 285 O THR A 19 7.886 -7.742 -6.301 1.00 10.00 O ATOM 286 CB THR A 19 6.653 -4.949 -5.033 1.00 10.00 C ATOM 287 OG1 THR A 19 6.170 -5.061 -3.702 1.00 10.00 O ATOM 288 CG2 THR A 19 5.650 -5.596 -5.994 1.00 10.00 C ATOM 0 H THR A 19 8.625 -3.602 -5.078 1.00 10.00 H new ATOM 0 HA THR A 19 8.206 -6.292 -4.282 1.00 10.00 H new ATOM 0 HB THR A 19 6.770 -3.898 -5.298 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.301 -4.614 -3.631 1.00 10.00 H new ATOM 0 HG21 THR A 19 4.688 -5.091 -5.909 1.00 10.00 H new ATOM 0 HG22 THR A 19 6.017 -5.508 -7.017 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.531 -6.649 -5.741 1.00 10.00 H new ATOM 296 N VAL A 20 8.351 -5.977 -7.521 1.00 10.00 N ATOM 297 CA VAL A 20 8.423 -6.798 -8.762 1.00 10.00 C ATOM 298 C VAL A 20 9.754 -7.553 -8.831 1.00 10.00 C ATOM 299 O VAL A 20 9.901 -8.500 -9.577 1.00 10.00 O ATOM 300 CB VAL A 20 8.318 -5.793 -9.908 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.408 -6.531 -11.245 1.00 10.00 C ATOM 302 CG2 VAL A 20 6.977 -5.060 -9.822 1.00 10.00 C ATOM 0 H VAL A 20 8.525 -4.980 -7.649 1.00 10.00 H new ATOM 0 HA VAL A 20 7.634 -7.549 -8.802 1.00 10.00 H new ATOM 0 HB VAL A 20 9.133 -5.073 -9.834 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.333 -5.814 -12.062 1.00 10.00 H new ATOM 0 HG12 VAL A 20 9.362 -7.055 -11.308 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.593 -7.251 -11.319 1.00 10.00 H new ATOM 0 HG21 VAL A 20 6.901 -4.343 -10.639 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.163 -5.781 -9.895 1.00 10.00 H new ATOM 0 HG23 VAL A 20 6.911 -4.533 -8.870 1.00 10.00 H new ATOM 312 N GLU A 21 10.726 -7.143 -8.060 1.00 10.00 N ATOM 313 CA GLU A 21 12.046 -7.845 -8.093 1.00 10.00 C ATOM 314 C GLU A 21 12.100 -8.911 -7.000 1.00 10.00 C ATOM 315 O GLU A 21 12.629 -9.988 -7.189 1.00 10.00 O ATOM 316 CB GLU A 21 13.101 -6.769 -7.826 1.00 10.00 C ATOM 317 CG GLU A 21 12.520 -5.393 -8.134 1.00 10.00 C ATOM 318 CD GLU A 21 13.652 -4.421 -8.472 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.417 -4.724 -9.372 1.00 10.00 O ATOM 320 OE2 GLU A 21 13.734 -3.390 -7.826 1.00 10.00 O ATOM 0 H GLU A 21 10.666 -6.358 -7.412 1.00 10.00 H new ATOM 0 HA GLU A 21 12.212 -8.342 -9.049 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.425 -6.813 -6.786 1.00 10.00 H new ATOM 0 HB3 GLU A 21 13.982 -6.949 -8.442 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.823 -5.460 -8.970 1.00 10.00 H new ATOM 0 HG3 GLU A 21 11.955 -5.026 -7.277 1.00 10.00 H new ATOM 327 N VAL A 22 11.559 -8.612 -5.852 1.00 10.00 N ATOM 328 CA VAL A 22 11.580 -9.601 -4.738 1.00 10.00 C ATOM 329 C VAL A 22 10.683 -10.794 -5.076 1.00 10.00 C ATOM 330 O VAL A 22 10.938 -11.909 -4.668 1.00 10.00 O ATOM 331 CB VAL A 22 11.037 -8.852 -3.517 1.00 10.00 C ATOM 332 CG1 VAL A 22 11.574 -9.504 -2.246 1.00 10.00 C ATOM 333 CG2 VAL A 22 11.488 -7.389 -3.557 1.00 10.00 C ATOM 0 H VAL A 22 11.103 -7.725 -5.637 1.00 10.00 H new ATOM 0 HA VAL A 22 12.581 -9.992 -4.558 1.00 10.00 H new ATOM 0 HB VAL A 22 9.948 -8.895 -3.528 1.00 10.00 H new ATOM 0 HG11 VAL A 22 11.190 -8.974 -1.375 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.253 -10.545 -2.208 1.00 10.00 H new ATOM 0 HG13 VAL A 22 12.663 -9.460 -2.247 1.00 10.00 H new ATOM 0 HG21 VAL A 22 11.097 -6.864 -2.685 1.00 10.00 H new ATOM 0 HG22 VAL A 22 12.577 -7.344 -3.550 1.00 10.00 H new ATOM 0 HG23 VAL A 22 11.111 -6.917 -4.464 1.00 10.00 H new ATOM 343 N LEU A 23A 9.633 -10.570 -5.816 1.00 10.00 N ATOM 344 CA LEU A 23A 8.723 -11.695 -6.174 1.00 10.00 C ATOM 345 C LEU A 23A 9.170 -12.344 -7.488 1.00 10.00 C ATOM 346 O LEU A 23A 9.019 -13.534 -7.684 1.00 10.00 O ATOM 347 CB LEU A 23A 7.343 -11.055 -6.323 1.00 10.00 C ATOM 348 CG LEU A 23A 6.648 -11.030 -4.961 1.00 10.00 C ATOM 349 CD1 LEU A 23A 6.275 -9.592 -4.600 1.00 10.00 C ATOM 350 CD2 LEU A 23A 5.381 -11.885 -5.017 1.00 10.00 C ATOM 0 H LEU A 23A 9.366 -9.659 -6.188 1.00 10.00 H new ATOM 0 HA LEU A 23A 8.724 -12.484 -5.422 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.439 -10.042 -6.714 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 6.744 -11.617 -7.040 1.00 10.00 H new ATOM 0 HG LEU A 23A 7.324 -11.430 -4.205 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 5.780 -9.577 -3.629 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 7.177 -8.982 -4.556 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 5.601 -9.190 -5.357 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 4.886 -11.867 -4.046 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 4.707 -11.487 -5.775 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 5.646 -12.912 -5.270 1.00 10.00 H new ATOM 362 N ARG A 24 9.720 -11.577 -8.391 1.00 10.00 N ATOM 363 CA ARG A 24 10.173 -12.160 -9.687 1.00 10.00 C ATOM 364 C ARG A 24 11.478 -12.939 -9.492 1.00 10.00 C ATOM 365 O ARG A 24 11.514 -14.149 -9.602 1.00 10.00 O ATOM 366 CB ARG A 24 10.405 -10.960 -10.605 1.00 10.00 C ATOM 367 CG ARG A 24 11.250 -11.387 -11.805 1.00 10.00 C ATOM 368 CD ARG A 24 10.514 -11.039 -13.101 1.00 10.00 C ATOM 369 NE ARG A 24 11.406 -11.525 -14.191 1.00 10.00 N ATOM 370 CZ ARG A 24 12.669 -11.194 -14.198 1.00 10.00 C ATOM 371 NH1 ARG A 24 13.038 -10.015 -13.777 1.00 10.00 N ATOM 372 NH2 ARG A 24 13.564 -12.043 -14.625 1.00 10.00 N ATOM 0 H ARG A 24 9.875 -10.574 -8.288 1.00 10.00 H new ATOM 0 HA ARG A 24 9.443 -12.856 -10.100 1.00 10.00 H new ATOM 0 HB2 ARG A 24 9.450 -10.559 -10.944 1.00 10.00 H new ATOM 0 HB3 ARG A 24 10.909 -10.163 -10.058 1.00 10.00 H new ATOM 0 HG2 ARG A 24 12.217 -10.885 -11.778 1.00 10.00 H new ATOM 0 HG3 ARG A 24 11.445 -12.459 -11.762 1.00 10.00 H new ATOM 0 HD2 ARG A 24 9.538 -11.523 -13.143 1.00 10.00 H new ATOM 0 HD3 ARG A 24 10.341 -9.966 -13.181 1.00 10.00 H new ATOM 0 HE ARG A 24 11.030 -12.116 -14.932 1.00 10.00 H new ATOM 0 HH11 ARG A 24 12.340 -9.351 -13.442 1.00 10.00 H new ATOM 0 HH12 ARG A 24 14.025 -9.757 -13.783 1.00 10.00 H new ATOM 0 HH21 ARG A 24 13.277 -12.965 -14.953 1.00 10.00 H new ATOM 0 HH22 ARG A 24 14.551 -11.784 -14.630 1.00 10.00 H new ATOM 386 N GLN A 25 12.549 -12.250 -9.208 1.00 10.00 N ATOM 387 CA GLN A 25 13.856 -12.941 -9.011 1.00 10.00 C ATOM 388 C GLN A 25 13.892 -13.625 -7.640 1.00 10.00 C ATOM 389 O GLN A 25 14.683 -14.518 -7.405 1.00 10.00 O ATOM 390 CB GLN A 25 14.902 -11.818 -9.119 1.00 10.00 C ATOM 391 CG GLN A 25 15.877 -11.852 -7.933 1.00 10.00 C ATOM 392 CD GLN A 25 17.217 -12.431 -8.390 1.00 10.00 C ATOM 393 OE1 GLN A 25 17.351 -13.627 -8.556 1.00 10.00 O ATOM 394 NE2 GLN A 25 18.223 -11.627 -8.601 1.00 10.00 N ATOM 0 H GLN A 25 12.576 -11.236 -9.104 1.00 10.00 H new ATOM 0 HA GLN A 25 14.038 -13.729 -9.741 1.00 10.00 H new ATOM 0 HB2 GLN A 25 15.456 -11.922 -10.052 1.00 10.00 H new ATOM 0 HB3 GLN A 25 14.400 -10.851 -9.153 1.00 10.00 H new ATOM 0 HG2 GLN A 25 16.019 -10.847 -7.537 1.00 10.00 H new ATOM 0 HG3 GLN A 25 15.464 -12.457 -7.126 1.00 10.00 H new ATOM 0 HE21 GLN A 25 18.111 -10.623 -8.462 1.00 10.00 H new ATOM 0 HE22 GLN A 25 19.121 -12.003 -8.905 1.00 10.00 H new ATOM 403 N GLN A 26 13.049 -13.214 -6.734 1.00 10.00 N ATOM 404 CA GLN A 26 13.047 -13.843 -5.381 1.00 10.00 C ATOM 405 C GLN A 26 14.485 -14.035 -4.892 1.00 10.00 C ATOM 406 O GLN A 26 14.996 -15.137 -4.881 1.00 10.00 O ATOM 407 CB GLN A 26 12.356 -15.195 -5.570 1.00 10.00 C ATOM 408 CG GLN A 26 11.064 -15.226 -4.751 1.00 10.00 C ATOM 409 CD GLN A 26 11.100 -16.412 -3.785 1.00 10.00 C ATOM 410 OE1 GLN A 26 10.635 -17.488 -4.106 1.00 10.00 O ATOM 411 NE2 GLN A 26 11.637 -16.261 -2.605 1.00 10.00 N ATOM 0 H GLN A 26 12.363 -12.472 -6.870 1.00 10.00 H new ATOM 0 HA GLN A 26 12.536 -13.230 -4.639 1.00 10.00 H new ATOM 0 HB2 GLN A 26 12.135 -15.358 -6.625 1.00 10.00 H new ATOM 0 HB3 GLN A 26 13.018 -16.001 -5.255 1.00 10.00 H new ATOM 0 HG2 GLN A 26 10.950 -14.295 -4.196 1.00 10.00 H new ATOM 0 HG3 GLN A 26 10.203 -15.309 -5.414 1.00 10.00 H new ATOM 0 HE21 GLN A 26 12.028 -15.359 -2.334 1.00 10.00 H new ATOM 0 HE22 GLN A 26 11.666 -17.045 -1.954 1.00 10.00 H new ATOM 420 N PRO A 27 15.089 -12.945 -4.507 1.00 10.00 N ATOM 421 CA PRO A 27 16.487 -12.978 -4.012 1.00 10.00 C ATOM 422 C PRO A 27 16.564 -13.685 -2.657 1.00 10.00 C ATOM 423 O PRO A 27 15.568 -13.847 -1.981 1.00 10.00 O ATOM 424 CB PRO A 27 16.855 -11.501 -3.880 1.00 10.00 C ATOM 425 CG PRO A 27 15.548 -10.798 -3.710 1.00 10.00 C ATOM 426 CD PRO A 27 14.534 -11.589 -4.493 1.00 10.00 C ATOM 0 HA PRO A 27 17.161 -13.523 -4.673 1.00 10.00 H new ATOM 0 HB2 PRO A 27 17.510 -11.331 -3.026 1.00 10.00 H new ATOM 0 HB3 PRO A 27 17.384 -11.144 -4.764 1.00 10.00 H new ATOM 0 HG2 PRO A 27 15.270 -10.745 -2.657 1.00 10.00 H new ATOM 0 HG3 PRO A 27 15.608 -9.773 -4.076 1.00 10.00 H new ATOM 0 HD2 PRO A 27 13.553 -11.563 -4.019 1.00 10.00 H new ATOM 0 HD3 PRO A 27 14.412 -11.196 -5.502 1.00 10.00 H new ATOM 434 N PRO A 28 17.758 -14.082 -2.306 1.00 10.00 N ATOM 435 CA PRO A 28 17.983 -14.779 -1.017 1.00 10.00 C ATOM 436 C PRO A 28 17.790 -13.810 0.153 1.00 10.00 C ATOM 437 O PRO A 28 17.002 -14.050 1.046 1.00 10.00 O ATOM 438 CB PRO A 28 19.436 -15.244 -1.110 1.00 10.00 C ATOM 439 CG PRO A 28 20.071 -14.308 -2.085 1.00 10.00 C ATOM 440 CD PRO A 28 18.998 -13.922 -3.068 1.00 10.00 C ATOM 0 HA PRO A 28 17.289 -15.602 -0.846 1.00 10.00 H new ATOM 0 HB2 PRO A 28 19.929 -15.199 -0.139 1.00 10.00 H new ATOM 0 HB3 PRO A 28 19.500 -16.277 -1.453 1.00 10.00 H new ATOM 0 HG2 PRO A 28 20.466 -13.428 -1.577 1.00 10.00 H new ATOM 0 HG3 PRO A 28 20.909 -14.786 -2.593 1.00 10.00 H new ATOM 0 HD2 PRO A 28 19.124 -12.897 -3.417 1.00 10.00 H new ATOM 0 HD3 PRO A 28 19.012 -14.563 -3.949 1.00 10.00 H new ATOM 448 N ASP A 29 18.502 -12.716 0.152 1.00 10.00 N ATOM 449 CA ASP A 29 18.358 -11.730 1.260 1.00 10.00 C ATOM 450 C ASP A 29 17.817 -10.405 0.715 1.00 10.00 C ATOM 451 O ASP A 29 18.385 -9.812 -0.181 1.00 10.00 O ATOM 452 CB ASP A 29 19.770 -11.549 1.817 1.00 10.00 C ATOM 453 CG ASP A 29 20.421 -12.919 2.015 1.00 10.00 C ATOM 454 OD1 ASP A 29 19.692 -13.897 2.064 1.00 10.00 O ATOM 455 OD2 ASP A 29 21.636 -12.968 2.115 1.00 10.00 O ATOM 0 H ASP A 29 19.178 -12.463 -0.569 1.00 10.00 H new ATOM 0 HA ASP A 29 17.661 -12.066 2.028 1.00 10.00 H new ATOM 0 HB2 ASP A 29 20.368 -10.946 1.133 1.00 10.00 H new ATOM 0 HB3 ASP A 29 19.732 -11.012 2.765 1.00 10.00 H new ATOM 460 N LEU A 30 16.720 -9.941 1.244 1.00 10.00 N ATOM 461 CA LEU A 30 16.140 -8.658 0.751 1.00 10.00 C ATOM 462 C LEU A 30 16.998 -7.478 1.210 1.00 10.00 C ATOM 463 O LEU A 30 17.510 -6.725 0.406 1.00 10.00 O ATOM 464 CB LEU A 30 14.745 -8.593 1.376 1.00 10.00 C ATOM 465 CG LEU A 30 13.832 -7.694 0.537 1.00 10.00 C ATOM 466 CD1 LEU A 30 14.128 -6.226 0.849 1.00 10.00 C ATOM 467 CD2 LEU A 30 14.073 -7.955 -0.952 1.00 10.00 C ATOM 0 H LEU A 30 16.199 -10.393 1.996 1.00 10.00 H new ATOM 0 HA LEU A 30 16.100 -8.610 -0.337 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.321 -9.595 1.442 1.00 10.00 H new ATOM 0 HB3 LEU A 30 14.812 -8.208 2.393 1.00 10.00 H new ATOM 0 HG LEU A 30 12.793 -7.916 0.779 1.00 10.00 H new ATOM 0 HD11 LEU A 30 13.477 -5.588 0.251 1.00 10.00 H new ATOM 0 HD12 LEU A 30 13.949 -6.036 1.907 1.00 10.00 H new ATOM 0 HD13 LEU A 30 15.169 -6.006 0.612 1.00 10.00 H new ATOM 0 HD21 LEU A 30 13.421 -7.313 -1.544 1.00 10.00 H new ATOM 0 HD22 LEU A 30 15.113 -7.739 -1.196 1.00 10.00 H new ATOM 0 HD23 LEU A 30 13.857 -8.999 -1.178 1.00 10.00 H new ATOM 479 N VAL A 31 17.161 -7.312 2.495 1.00 10.00 N ATOM 480 CA VAL A 31 17.992 -6.180 3.005 1.00 10.00 C ATOM 481 C VAL A 31 19.151 -5.912 2.052 1.00 10.00 C ATOM 482 O VAL A 31 19.222 -4.883 1.407 1.00 10.00 O ATOM 483 CB VAL A 31 18.528 -6.664 4.348 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.239 -5.511 5.060 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.366 -7.156 5.210 1.00 10.00 C ATOM 0 H VAL A 31 16.755 -7.910 3.215 1.00 10.00 H new ATOM 0 HA VAL A 31 17.421 -5.256 3.093 1.00 10.00 H new ATOM 0 HB VAL A 31 19.233 -7.480 4.186 1.00 10.00 H new ATOM 0 HG11 VAL A 31 19.622 -5.857 6.020 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.067 -5.159 4.445 1.00 10.00 H new ATOM 0 HG13 VAL A 31 18.535 -4.695 5.223 1.00 10.00 H new ATOM 0 HG21 VAL A 31 17.747 -7.503 6.171 1.00 10.00 H new ATOM 0 HG22 VAL A 31 16.662 -6.340 5.372 1.00 10.00 H new ATOM 0 HG23 VAL A 31 16.859 -7.977 4.703 1.00 10.00 H new ATOM 495 N ASP A 32 20.058 -6.839 1.958 1.00 10.00 N ATOM 496 CA ASP A 32 21.218 -6.663 1.049 1.00 10.00 C ATOM 497 C ASP A 32 20.729 -6.272 -0.350 1.00 10.00 C ATOM 498 O ASP A 32 21.279 -5.395 -0.986 1.00 10.00 O ATOM 499 CB ASP A 32 21.902 -8.031 1.048 1.00 10.00 C ATOM 500 CG ASP A 32 21.684 -8.731 -0.297 1.00 10.00 C ATOM 501 OD1 ASP A 32 20.650 -9.358 -0.454 1.00 10.00 O ATOM 502 OD2 ASP A 32 22.555 -8.626 -1.144 1.00 10.00 O ATOM 0 H ASP A 32 20.045 -7.718 2.476 1.00 10.00 H new ATOM 0 HA ASP A 32 21.900 -5.872 1.363 1.00 10.00 H new ATOM 0 HB2 ASP A 32 22.969 -7.912 1.236 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.503 -8.646 1.855 1.00 10.00 H new ATOM 507 N PHE A 33 19.691 -6.907 -0.830 1.00 10.00 N ATOM 508 CA PHE A 33 19.171 -6.553 -2.182 1.00 10.00 C ATOM 509 C PHE A 33 18.783 -5.075 -2.208 1.00 10.00 C ATOM 510 O PHE A 33 19.202 -4.325 -3.067 1.00 10.00 O ATOM 511 CB PHE A 33 17.939 -7.436 -2.393 1.00 10.00 C ATOM 512 CG PHE A 33 17.256 -7.046 -3.684 1.00 10.00 C ATOM 513 CD1 PHE A 33 17.970 -7.075 -4.889 1.00 10.00 C ATOM 514 CD2 PHE A 33 15.911 -6.656 -3.678 1.00 10.00 C ATOM 515 CE1 PHE A 33 17.337 -6.714 -6.086 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.279 -6.295 -4.874 1.00 10.00 C ATOM 517 CZ PHE A 33 15.992 -6.324 -6.078 1.00 10.00 C ATOM 0 H PHE A 33 19.185 -7.650 -0.348 1.00 10.00 H new ATOM 0 HA PHE A 33 19.911 -6.712 -2.966 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.232 -8.485 -2.426 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.250 -7.324 -1.556 1.00 10.00 H new ATOM 0 HD1 PHE A 33 19.007 -7.375 -4.895 1.00 10.00 H new ATOM 0 HD2 PHE A 33 15.360 -6.634 -2.749 1.00 10.00 H new ATOM 0 HE1 PHE A 33 17.887 -6.737 -7.015 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.242 -5.994 -4.868 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.505 -6.046 -7.001 1.00 10.00 H new ATOM 527 N ALA A 34 17.993 -4.648 -1.260 1.00 10.00 N ATOM 528 CA ALA A 34 17.589 -3.214 -1.221 1.00 10.00 C ATOM 529 C ALA A 34 18.828 -2.329 -1.346 1.00 10.00 C ATOM 530 O ALA A 34 18.803 -1.286 -1.965 1.00 10.00 O ATOM 531 CB ALA A 34 16.939 -3.023 0.151 1.00 10.00 C ATOM 0 H ALA A 34 17.611 -5.228 -0.513 1.00 10.00 H new ATOM 0 HA ALA A 34 16.912 -2.948 -2.033 1.00 10.00 H new ATOM 0 HB1 ALA A 34 16.613 -1.988 0.258 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.078 -3.686 0.241 1.00 10.00 H new ATOM 0 HB3 ALA A 34 17.662 -3.258 0.932 1.00 10.00 H new ATOM 537 N VAL A 35 19.911 -2.745 -0.755 1.00 10.00 N ATOM 538 CA VAL A 35 21.156 -1.949 -0.822 1.00 10.00 C ATOM 539 C VAL A 35 21.887 -2.225 -2.137 1.00 10.00 C ATOM 540 O VAL A 35 22.155 -1.327 -2.910 1.00 10.00 O ATOM 541 CB VAL A 35 21.962 -2.451 0.368 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.437 -2.151 0.147 1.00 10.00 C ATOM 543 CG2 VAL A 35 21.475 -1.751 1.637 1.00 10.00 C ATOM 0 H VAL A 35 19.983 -3.613 -0.224 1.00 10.00 H new ATOM 0 HA VAL A 35 20.986 -0.873 -0.788 1.00 10.00 H new ATOM 0 HB VAL A 35 21.829 -3.528 0.474 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.013 -2.511 0.999 1.00 10.00 H new ATOM 0 HG12 VAL A 35 23.778 -2.652 -0.759 1.00 10.00 H new ATOM 0 HG13 VAL A 35 23.578 -1.075 0.042 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.049 -2.107 2.492 1.00 10.00 H new ATOM 0 HG22 VAL A 35 21.609 -0.674 1.533 1.00 10.00 H new ATOM 0 HG23 VAL A 35 20.419 -1.972 1.792 1.00 10.00 H new ATOM 553 N GLU A 36 22.211 -3.462 -2.399 1.00 10.00 N ATOM 554 CA GLU A 36 22.924 -3.793 -3.666 1.00 10.00 C ATOM 555 C GLU A 36 22.199 -3.169 -4.863 1.00 10.00 C ATOM 556 O GLU A 36 22.815 -2.635 -5.764 1.00 10.00 O ATOM 557 CB GLU A 36 22.888 -5.319 -3.751 1.00 10.00 C ATOM 558 CG GLU A 36 23.578 -5.916 -2.523 1.00 10.00 C ATOM 559 CD GLU A 36 24.937 -6.489 -2.928 1.00 10.00 C ATOM 560 OE1 GLU A 36 25.027 -7.038 -4.014 1.00 10.00 O ATOM 561 OE2 GLU A 36 25.866 -6.368 -2.146 1.00 10.00 O ATOM 0 H GLU A 36 22.013 -4.257 -1.791 1.00 10.00 H new ATOM 0 HA GLU A 36 23.943 -3.407 -3.680 1.00 10.00 H new ATOM 0 HB2 GLU A 36 21.856 -5.666 -3.806 1.00 10.00 H new ATOM 0 HB3 GLU A 36 23.386 -5.655 -4.660 1.00 10.00 H new ATOM 0 HG2 GLU A 36 23.708 -5.151 -1.758 1.00 10.00 H new ATOM 0 HG3 GLU A 36 22.956 -6.699 -2.088 1.00 10.00 H new ATOM 568 N TYR A 37 20.896 -3.235 -4.880 1.00 10.00 N ATOM 569 CA TYR A 37 20.136 -2.649 -6.021 1.00 10.00 C ATOM 570 C TYR A 37 20.175 -1.120 -5.960 1.00 10.00 C ATOM 571 O TYR A 37 20.735 -0.469 -6.819 1.00 10.00 O ATOM 572 CB TYR A 37 18.703 -3.156 -5.847 1.00 10.00 C ATOM 573 CG TYR A 37 17.837 -2.604 -6.952 1.00 10.00 C ATOM 574 CD1 TYR A 37 18.298 -2.616 -8.274 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.572 -2.080 -6.656 1.00 10.00 C ATOM 576 CE1 TYR A 37 17.496 -2.104 -9.301 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.769 -1.567 -7.683 1.00 10.00 C ATOM 578 CZ TYR A 37 16.230 -1.580 -9.006 1.00 10.00 C ATOM 579 OH TYR A 37 15.441 -1.074 -10.018 1.00 10.00 O ATOM 0 H TYR A 37 20.325 -3.669 -4.154 1.00 10.00 H new ATOM 0 HA TYR A 37 20.557 -2.937 -6.984 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.686 -4.246 -5.867 1.00 10.00 H new ATOM 0 HB3 TYR A 37 18.313 -2.849 -4.877 1.00 10.00 H new ATOM 0 HD1 TYR A 37 19.273 -3.021 -8.502 1.00 10.00 H new ATOM 0 HD2 TYR A 37 16.216 -2.071 -5.636 1.00 10.00 H new ATOM 0 HE1 TYR A 37 17.853 -2.113 -10.320 1.00 10.00 H new ATOM 0 HE2 TYR A 37 14.794 -1.161 -7.455 1.00 10.00 H new ATOM 0 HH TYR A 37 14.595 -0.752 -9.643 1.00 10.00 H new ATOM 589 N PHE A 38 19.583 -0.540 -4.952 1.00 10.00 N ATOM 590 CA PHE A 38 19.584 0.947 -4.839 1.00 10.00 C ATOM 591 C PHE A 38 21.020 1.484 -4.842 1.00 10.00 C ATOM 592 O PHE A 38 21.302 2.518 -5.413 1.00 10.00 O ATOM 593 CB PHE A 38 18.898 1.244 -3.504 1.00 10.00 C ATOM 594 CG PHE A 38 17.425 0.917 -3.608 1.00 10.00 C ATOM 595 CD1 PHE A 38 16.718 1.225 -4.777 1.00 10.00 C ATOM 596 CD2 PHE A 38 16.767 0.305 -2.533 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.355 0.922 -4.872 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.404 0.001 -2.628 1.00 10.00 C ATOM 599 CZ PHE A 38 14.697 0.309 -3.797 1.00 10.00 C ATOM 0 H PHE A 38 19.098 -1.032 -4.201 1.00 10.00 H new ATOM 0 HA PHE A 38 19.071 1.423 -5.675 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.356 0.656 -2.709 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.030 2.293 -3.241 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.225 1.697 -5.606 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.312 0.068 -1.631 1.00 10.00 H new ATOM 0 HE1 PHE A 38 14.810 1.161 -5.774 1.00 10.00 H new ATOM 0 HE2 PHE A 38 14.897 -0.471 -1.799 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.645 0.074 -3.870 1.00 10.00 H new ATOM 609 N THR A 39 21.931 0.792 -4.209 1.00 10.00 N ATOM 610 CA THR A 39 23.344 1.276 -4.185 1.00 10.00 C ATOM 611 C THR A 39 23.850 1.488 -5.613 1.00 10.00 C ATOM 612 O THR A 39 24.532 2.451 -5.905 1.00 10.00 O ATOM 613 CB THR A 39 24.144 0.163 -3.500 1.00 10.00 C ATOM 614 OG1 THR A 39 23.783 0.089 -2.127 1.00 10.00 O ATOM 615 CG2 THR A 39 25.638 0.464 -3.615 1.00 10.00 C ATOM 0 H THR A 39 21.760 -0.081 -3.711 1.00 10.00 H new ATOM 0 HA THR A 39 23.441 2.227 -3.661 1.00 10.00 H new ATOM 0 HB THR A 39 23.924 -0.788 -3.984 1.00 10.00 H new ATOM 0 HG1 THR A 39 24.584 -0.073 -1.586 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.207 -0.328 -3.128 1.00 10.00 H new ATOM 0 HG22 THR A 39 25.918 0.518 -4.667 1.00 10.00 H new ATOM 0 HG23 THR A 39 25.855 1.417 -3.132 1.00 10.00 H new ATOM 623 N ARG A 40 23.525 0.591 -6.504 1.00 10.00 N ATOM 624 CA ARG A 40 23.989 0.736 -7.914 1.00 10.00 C ATOM 625 C ARG A 40 23.235 1.873 -8.611 1.00 10.00 C ATOM 626 O ARG A 40 23.748 2.505 -9.514 1.00 10.00 O ATOM 627 CB ARG A 40 23.666 -0.607 -8.572 1.00 10.00 C ATOM 628 CG ARG A 40 24.813 -1.588 -8.320 1.00 10.00 C ATOM 629 CD ARG A 40 24.248 -2.994 -8.109 1.00 10.00 C ATOM 630 NE ARG A 40 25.098 -3.880 -8.951 1.00 10.00 N ATOM 631 CZ ARG A 40 24.749 -5.121 -9.153 1.00 10.00 C ATOM 632 NH1 ARG A 40 24.041 -5.754 -8.259 1.00 10.00 N ATOM 633 NH2 ARG A 40 25.108 -5.730 -10.249 1.00 10.00 N ATOM 0 H ARG A 40 22.958 -0.236 -6.317 1.00 10.00 H new ATOM 0 HA ARG A 40 25.050 0.979 -7.977 1.00 10.00 H new ATOM 0 HB2 ARG A 40 22.736 -1.007 -8.169 1.00 10.00 H new ATOM 0 HB3 ARG A 40 23.517 -0.473 -9.643 1.00 10.00 H new ATOM 0 HG2 ARG A 40 25.501 -1.584 -9.166 1.00 10.00 H new ATOM 0 HG3 ARG A 40 25.384 -1.279 -7.444 1.00 10.00 H new ATOM 0 HD2 ARG A 40 24.293 -3.284 -7.059 1.00 10.00 H new ATOM 0 HD3 ARG A 40 23.202 -3.048 -8.410 1.00 10.00 H new ATOM 0 HE ARG A 40 25.954 -3.517 -9.370 1.00 10.00 H new ATOM 0 HH11 ARG A 40 23.760 -5.279 -7.401 1.00 10.00 H new ATOM 0 HH12 ARG A 40 23.769 -6.724 -8.418 1.00 10.00 H new ATOM 0 HH21 ARG A 40 25.662 -5.236 -10.949 1.00 10.00 H new ATOM 0 HH22 ARG A 40 24.835 -6.700 -10.406 1.00 10.00 H new ATOM 647 N LEU A 41 22.024 2.137 -8.204 1.00 10.00 N ATOM 648 CA LEU A 41 21.245 3.232 -8.851 1.00 10.00 C ATOM 649 C LEU A 41 21.915 4.585 -8.594 1.00 10.00 C ATOM 650 O LEU A 41 21.992 5.427 -9.467 1.00 10.00 O ATOM 651 CB LEU A 41 19.867 3.184 -8.192 1.00 10.00 C ATOM 652 CG LEU A 41 18.786 3.361 -9.258 1.00 10.00 C ATOM 653 CD1 LEU A 41 17.414 3.063 -8.651 1.00 10.00 C ATOM 654 CD2 LEU A 41 18.812 4.800 -9.776 1.00 10.00 C ATOM 0 H LEU A 41 21.541 1.644 -7.453 1.00 10.00 H new ATOM 0 HA LEU A 41 21.184 3.109 -9.932 1.00 10.00 H new ATOM 0 HB2 LEU A 41 19.732 2.233 -7.676 1.00 10.00 H new ATOM 0 HB3 LEU A 41 19.784 3.969 -7.441 1.00 10.00 H new ATOM 0 HG LEU A 41 18.974 2.673 -10.083 1.00 10.00 H new ATOM 0 HD11 LEU A 41 16.644 3.190 -9.412 1.00 10.00 H new ATOM 0 HD12 LEU A 41 17.394 2.038 -8.282 1.00 10.00 H new ATOM 0 HD13 LEU A 41 17.224 3.749 -7.826 1.00 10.00 H new ATOM 0 HD21 LEU A 41 18.041 4.927 -10.536 1.00 10.00 H new ATOM 0 HD22 LEU A 41 18.624 5.487 -8.951 1.00 10.00 H new ATOM 0 HD23 LEU A 41 19.789 5.013 -10.210 1.00 10.00 H new ATOM 666 N ARG A 42 22.401 4.800 -7.402 1.00 10.00 N ATOM 667 CA ARG A 42 23.065 6.098 -7.088 1.00 10.00 C ATOM 668 C ARG A 42 24.238 6.338 -8.044 1.00 10.00 C ATOM 669 O ARG A 42 24.760 7.431 -8.141 1.00 10.00 O ATOM 670 CB ARG A 42 23.561 5.948 -5.650 1.00 10.00 C ATOM 671 CG ARG A 42 22.601 6.677 -4.705 1.00 10.00 C ATOM 672 CD ARG A 42 23.194 8.027 -4.280 1.00 10.00 C ATOM 673 NE ARG A 42 24.138 8.416 -5.367 1.00 10.00 N ATOM 674 CZ ARG A 42 25.281 8.971 -5.066 1.00 10.00 C ATOM 675 NH1 ARG A 42 25.392 9.695 -3.986 1.00 10.00 N ATOM 676 NH2 ARG A 42 26.314 8.802 -5.848 1.00 10.00 N ATOM 0 H ARG A 42 22.367 4.133 -6.631 1.00 10.00 H new ATOM 0 HA ARG A 42 22.391 6.947 -7.199 1.00 10.00 H new ATOM 0 HB2 ARG A 42 23.622 4.893 -5.382 1.00 10.00 H new ATOM 0 HB3 ARG A 42 24.566 6.360 -5.555 1.00 10.00 H new ATOM 0 HG2 ARG A 42 21.642 6.833 -5.199 1.00 10.00 H new ATOM 0 HG3 ARG A 42 22.410 6.063 -3.825 1.00 10.00 H new ATOM 0 HD2 ARG A 42 22.412 8.776 -4.155 1.00 10.00 H new ATOM 0 HD3 ARG A 42 23.711 7.943 -3.324 1.00 10.00 H new ATOM 0 HE ARG A 42 23.892 8.249 -6.343 1.00 10.00 H new ATOM 0 HH11 ARG A 42 24.585 9.828 -3.376 1.00 10.00 H new ATOM 0 HH12 ARG A 42 26.285 10.128 -3.752 1.00 10.00 H new ATOM 0 HH21 ARG A 42 26.227 8.237 -6.693 1.00 10.00 H new ATOM 0 HH22 ARG A 42 27.207 9.235 -5.614 1.00 10.00 H new ATOM 690 N GLU A 43 24.657 5.323 -8.751 1.00 10.00 N ATOM 691 CA GLU A 43 25.795 5.493 -9.700 1.00 10.00 C ATOM 692 C GLU A 43 25.296 5.418 -11.145 1.00 10.00 C ATOM 693 O GLU A 43 26.072 5.315 -12.075 1.00 10.00 O ATOM 694 CB GLU A 43 26.737 4.327 -9.401 1.00 10.00 C ATOM 695 CG GLU A 43 27.382 4.528 -8.028 1.00 10.00 C ATOM 696 CD GLU A 43 28.898 4.363 -8.147 1.00 10.00 C ATOM 697 OE1 GLU A 43 29.324 3.338 -8.654 1.00 10.00 O ATOM 698 OE2 GLU A 43 29.607 5.263 -7.731 1.00 10.00 O ATOM 0 H GLU A 43 24.261 4.384 -8.712 1.00 10.00 H new ATOM 0 HA GLU A 43 26.288 6.458 -9.583 1.00 10.00 H new ATOM 0 HB2 GLU A 43 26.186 3.387 -9.421 1.00 10.00 H new ATOM 0 HB3 GLU A 43 27.507 4.262 -10.170 1.00 10.00 H new ATOM 0 HG2 GLU A 43 27.143 5.519 -7.644 1.00 10.00 H new ATOM 0 HG3 GLU A 43 26.982 3.805 -7.317 1.00 10.00 H new ATOM 705 N ALA A 44 24.007 5.468 -11.343 1.00 10.00 N ATOM 706 CA ALA A 44 23.461 5.397 -12.729 1.00 10.00 C ATOM 707 C ALA A 44 22.523 6.567 -12.996 1.00 10.00 C ATOM 708 O ALA A 44 22.832 7.472 -13.746 1.00 10.00 O ATOM 709 CB ALA A 44 22.656 4.104 -12.780 1.00 10.00 C ATOM 0 H ALA A 44 23.308 5.555 -10.605 1.00 10.00 H new ATOM 0 HA ALA A 44 24.260 5.431 -13.469 1.00 10.00 H new ATOM 0 HB1 ALA A 44 22.223 3.984 -13.773 1.00 10.00 H new ATOM 0 HB2 ALA A 44 23.310 3.259 -12.565 1.00 10.00 H new ATOM 0 HB3 ALA A 44 21.858 4.143 -12.038 1.00 10.00 H new ATOM 715 N ARG A 45 21.364 6.528 -12.399 1.00 10.00 N ATOM 716 CA ARG A 45 20.360 7.603 -12.613 1.00 10.00 C ATOM 717 C ARG A 45 21.037 8.921 -13.000 1.00 10.00 C ATOM 718 O ARG A 45 21.845 9.455 -12.266 1.00 10.00 O ATOM 719 CB ARG A 45 19.636 7.744 -11.272 1.00 10.00 C ATOM 720 CG ARG A 45 18.636 8.899 -11.349 1.00 10.00 C ATOM 721 CD ARG A 45 17.251 8.409 -10.919 1.00 10.00 C ATOM 722 NE ARG A 45 16.331 9.539 -11.226 1.00 10.00 N ATOM 723 CZ ARG A 45 16.013 9.810 -12.464 1.00 10.00 C ATOM 724 NH1 ARG A 45 16.358 8.992 -13.421 1.00 10.00 N ATOM 725 NH2 ARG A 45 15.352 10.899 -12.744 1.00 10.00 N ATOM 0 H ARG A 45 21.068 5.787 -11.764 1.00 10.00 H new ATOM 0 HA ARG A 45 19.677 7.360 -13.427 1.00 10.00 H new ATOM 0 HB2 ARG A 45 19.118 6.817 -11.027 1.00 10.00 H new ATOM 0 HB3 ARG A 45 20.357 7.926 -10.475 1.00 10.00 H new ATOM 0 HG2 ARG A 45 18.960 9.717 -10.705 1.00 10.00 H new ATOM 0 HG3 ARG A 45 18.595 9.291 -12.365 1.00 10.00 H new ATOM 0 HD2 ARG A 45 16.965 7.508 -11.462 1.00 10.00 H new ATOM 0 HD3 ARG A 45 17.232 8.161 -9.858 1.00 10.00 H new ATOM 0 HE ARG A 45 15.948 10.103 -10.467 1.00 10.00 H new ATOM 0 HH11 ARG A 45 16.876 8.141 -13.202 1.00 10.00 H new ATOM 0 HH12 ARG A 45 16.110 9.204 -14.387 1.00 10.00 H new ATOM 0 HH21 ARG A 45 15.083 11.539 -11.997 1.00 10.00 H new ATOM 0 HH22 ARG A 45 15.104 11.111 -13.710 1.00 10.00 H new ATOM 739 N ARG A 46 20.711 9.450 -14.148 1.00 10.00 N ATOM 740 CA ARG A 46 21.334 10.733 -14.585 1.00 10.00 C ATOM 741 C ARG A 46 21.353 11.732 -13.426 1.00 10.00 C ATOM 742 O ARG A 46 22.389 11.857 -12.795 1.00 10.00 O ATOM 743 CB ARG A 46 20.442 11.240 -15.719 1.00 10.00 C ATOM 744 CG ARG A 46 20.340 10.171 -16.807 1.00 10.00 C ATOM 745 CD ARG A 46 20.262 10.842 -18.181 1.00 10.00 C ATOM 746 NE ARG A 46 19.617 9.829 -19.065 1.00 10.00 N ATOM 747 CZ ARG A 46 20.046 9.649 -20.288 1.00 10.00 C ATOM 748 NH1 ARG A 46 21.269 9.972 -20.612 1.00 10.00 N ATOM 749 NH2 ARG A 46 19.249 9.138 -21.186 1.00 10.00 N ATOM 750 OXT ARG A 46 20.331 12.356 -13.191 1.00 10.00 O ATOM 0 H ARG A 46 20.040 9.049 -14.803 1.00 10.00 H new ATOM 0 HA ARG A 46 22.367 10.603 -14.908 1.00 10.00 H new ATOM 0 HB2 ARG A 46 19.450 11.479 -15.336 1.00 10.00 H new ATOM 0 HB3 ARG A 46 20.853 12.159 -16.136 1.00 10.00 H new ATOM 0 HG2 ARG A 46 21.205 9.509 -16.763 1.00 10.00 H new ATOM 0 HG3 ARG A 46 19.457 9.553 -16.642 1.00 10.00 H new ATOM 0 HD2 ARG A 46 19.677 11.761 -18.140 1.00 10.00 H new ATOM 0 HD3 ARG A 46 21.253 11.112 -18.546 1.00 10.00 H new ATOM 0 HE ARG A 46 18.837 9.273 -18.714 1.00 10.00 H new ATOM 0 HH11 ARG A 46 21.895 10.367 -19.910 1.00 10.00 H new ATOM 0 HH12 ARG A 46 21.598 9.830 -21.567 1.00 10.00 H new ATOM 0 HH21 ARG A 46 18.295 8.880 -20.934 1.00 10.00 H new ATOM 0 HH22 ARG A 46 19.580 8.996 -22.140 1.00 10.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 -7.408 -2.212 -8.143 1.00 10.00 N ATOM 766 CA HIS B 1 -6.691 -3.492 -8.415 1.00 10.00 C ATOM 767 C HIS B 1 -5.300 -3.464 -7.780 1.00 10.00 C ATOM 768 O HIS B 1 -4.344 -3.005 -8.374 1.00 10.00 O ATOM 769 CB HIS B 1 -6.584 -3.569 -9.938 1.00 10.00 C ATOM 770 CG HIS B 1 -7.926 -3.917 -10.520 1.00 10.00 C ATOM 771 ND1 HIS B 1 -8.770 -2.959 -11.059 1.00 10.00 N ATOM 772 CD2 HIS B 1 -8.585 -5.115 -10.653 1.00 10.00 C ATOM 773 CE1 HIS B 1 -9.878 -3.590 -11.488 1.00 10.00 C ATOM 774 NE2 HIS B 1 -9.817 -4.905 -11.265 1.00 10.00 N ATOM 0 H1 HIS B 1 -8.330 -2.416 -7.706 1.00 10.00 H new ATOM 0 H2 HIS B 1 -6.841 -1.627 -7.497 1.00 10.00 H new ATOM 0 H3 HIS B 1 -7.554 -1.699 -9.036 1.00 10.00 H new ATOM 0 HA HIS B 1 -7.212 -4.354 -7.999 1.00 10.00 H new ATOM 0 HB2 HIS B 1 -6.239 -2.615 -10.337 1.00 10.00 H new ATOM 0 HB3 HIS B 1 -5.847 -4.319 -10.224 1.00 10.00 H new ATOM 0 HD2 HIS B 1 -8.205 -6.073 -10.332 1.00 10.00 H new ATOM 0 HE1 HIS B 1 -10.715 -3.093 -11.956 1.00 10.00 H new ATOM 0 HE2 HIS B 1 -10.522 -5.605 -11.494 1.00 10.00 H new ATOM 784 N MET B 2 -5.177 -3.953 -6.575 1.00 10.00 N ATOM 785 CA MET B 2 -3.846 -3.953 -5.904 1.00 10.00 C ATOM 786 C MET B 2 -3.685 -5.211 -5.045 1.00 10.00 C ATOM 787 O MET B 2 -2.755 -5.330 -4.271 1.00 10.00 O ATOM 788 CB MET B 2 -3.845 -2.701 -5.025 1.00 10.00 C ATOM 789 CG MET B 2 -4.986 -2.789 -4.010 1.00 10.00 C ATOM 790 SD MET B 2 -6.279 -1.602 -4.451 1.00 10.00 S ATOM 791 CE MET B 2 -5.383 -0.102 -3.978 1.00 10.00 C ATOM 0 H MET B 2 -5.940 -4.352 -6.028 1.00 10.00 H new ATOM 0 HA MET B 2 -3.024 -3.950 -6.620 1.00 10.00 H new ATOM 0 HB2 MET B 2 -2.890 -2.608 -4.508 1.00 10.00 H new ATOM 0 HB3 MET B 2 -3.961 -1.810 -5.642 1.00 10.00 H new ATOM 0 HG2 MET B 2 -5.395 -3.799 -3.994 1.00 10.00 H new ATOM 0 HG3 MET B 2 -4.612 -2.580 -3.008 1.00 10.00 H new ATOM 0 HE1 MET B 2 -5.973 0.462 -3.256 1.00 10.00 H new ATOM 0 HE2 MET B 2 -4.427 -0.375 -3.531 1.00 10.00 H new ATOM 0 HE3 MET B 2 -5.208 0.511 -4.862 1.00 10.00 H new ATOM 801 N GLY B 3 -4.580 -6.151 -5.177 1.00 10.00 N ATOM 802 CA GLY B 3 -4.475 -7.398 -4.368 1.00 10.00 C ATOM 803 C GLY B 3 -3.206 -8.154 -4.758 1.00 10.00 C ATOM 804 O GLY B 3 -2.798 -9.088 -4.095 1.00 10.00 O ATOM 0 H GLY B 3 -5.379 -6.110 -5.810 1.00 10.00 H new ATOM 0 HA2 GLY B 3 -4.454 -7.154 -3.306 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -5.350 -8.026 -4.533 1.00 10.00 H new ATOM 808 N HIS B 4 -2.576 -7.759 -5.830 1.00 10.00 N ATOM 809 CA HIS B 4 -1.331 -8.456 -6.262 1.00 10.00 C ATOM 810 C HIS B 4 -0.149 -7.483 -6.253 1.00 10.00 C ATOM 811 O HIS B 4 0.719 -7.537 -7.102 1.00 10.00 O ATOM 812 CB HIS B 4 -1.622 -8.935 -7.685 1.00 10.00 C ATOM 813 CG HIS B 4 -0.562 -9.913 -8.111 1.00 10.00 C ATOM 814 ND1 HIS B 4 0.424 -9.581 -9.028 1.00 10.00 N ATOM 815 CD2 HIS B 4 -0.319 -11.216 -7.755 1.00 10.00 C ATOM 816 CE1 HIS B 4 1.207 -10.662 -9.190 1.00 10.00 C ATOM 817 NE2 HIS B 4 0.799 -11.688 -8.437 1.00 10.00 N ATOM 0 H HIS B 4 -2.869 -6.984 -6.425 1.00 10.00 H new ATOM 0 HA HIS B 4 -1.067 -9.280 -5.600 1.00 10.00 H new ATOM 0 HB2 HIS B 4 -2.604 -9.405 -7.728 1.00 10.00 H new ATOM 0 HB3 HIS B 4 -1.645 -8.086 -8.368 1.00 10.00 H new ATOM 0 HD2 HIS B 4 -0.906 -11.788 -7.052 1.00 10.00 H new ATOM 0 HE1 HIS B 4 2.062 -10.697 -9.849 1.00 10.00 H new ATOM 0 HE2 HIS B 4 1.217 -12.617 -8.375 1.00 10.00 H new ATOM 825 N ILE B 5 -0.110 -6.592 -5.301 1.00 10.00 N ATOM 826 CA ILE B 5 1.017 -5.616 -5.239 1.00 10.00 C ATOM 827 C ILE B 5 1.494 -5.457 -3.793 1.00 10.00 C ATOM 828 O ILE B 5 1.931 -4.403 -3.379 1.00 10.00 O ATOM 829 CB ILE B 5 0.430 -4.310 -5.788 1.00 10.00 C ATOM 830 CG1 ILE B 5 1.546 -3.478 -6.441 1.00 10.00 C ATOM 831 CG2 ILE B 5 -0.234 -3.511 -4.661 1.00 10.00 C ATOM 832 CD1 ILE B 5 2.266 -2.626 -5.391 1.00 10.00 C ATOM 0 H ILE B 5 -0.808 -6.497 -4.564 1.00 10.00 H new ATOM 0 HA ILE B 5 1.888 -5.933 -5.813 1.00 10.00 H new ATOM 0 HB ILE B 5 -0.326 -4.546 -6.537 1.00 10.00 H new ATOM 0 HG12 ILE B 5 2.260 -4.139 -6.933 1.00 10.00 H new ATOM 0 HG13 ILE B 5 1.124 -2.834 -7.212 1.00 10.00 H new ATOM 0 HG21 ILE B 5 -0.646 -2.586 -5.065 1.00 10.00 H new ATOM 0 HG22 ILE B 5 -1.035 -4.103 -4.219 1.00 10.00 H new ATOM 0 HG23 ILE B 5 0.507 -3.275 -3.897 1.00 10.00 H new ATOM 0 HD11 ILE B 5 3.052 -2.044 -5.872 1.00 10.00 H new ATOM 0 HD12 ILE B 5 1.552 -1.951 -4.919 1.00 10.00 H new ATOM 0 HD13 ILE B 5 2.706 -3.276 -4.635 1.00 10.00 H new ATOM 844 N GLN B 6 1.417 -6.505 -3.024 1.00 10.00 N ATOM 845 CA GLN B 6 1.868 -6.422 -1.606 1.00 10.00 C ATOM 846 C GLN B 6 2.193 -7.816 -1.061 1.00 10.00 C ATOM 847 O GLN B 6 1.660 -8.236 -0.052 1.00 10.00 O ATOM 848 CB GLN B 6 0.685 -5.817 -0.851 1.00 10.00 C ATOM 849 CG GLN B 6 0.543 -4.341 -1.227 1.00 10.00 C ATOM 850 CD GLN B 6 -0.273 -3.617 -0.154 1.00 10.00 C ATOM 851 OE1 GLN B 6 -1.464 -3.828 -0.038 1.00 10.00 O ATOM 852 NE2 GLN B 6 0.321 -2.770 0.639 1.00 10.00 N ATOM 0 H GLN B 6 1.062 -7.416 -3.314 1.00 10.00 H new ATOM 0 HA GLN B 6 2.774 -5.825 -1.500 1.00 10.00 H new ATOM 0 HB2 GLN B 6 -0.230 -6.356 -1.096 1.00 10.00 H new ATOM 0 HB3 GLN B 6 0.836 -5.917 0.224 1.00 10.00 H new ATOM 0 HG2 GLN B 6 1.527 -3.883 -1.321 1.00 10.00 H new ATOM 0 HG3 GLN B 6 0.053 -4.247 -2.196 1.00 10.00 H new ATOM 0 HE21 GLN B 6 1.321 -2.594 0.540 1.00 10.00 H new ATOM 0 HE22 GLN B 6 -0.214 -2.283 1.358 1.00 10.00 H new ATOM 861 N ILE B 7 3.069 -8.534 -1.710 1.00 10.00 N ATOM 862 CA ILE B 7 3.429 -9.894 -1.211 1.00 10.00 C ATOM 863 C ILE B 7 4.932 -9.986 -0.923 1.00 10.00 C ATOM 864 O ILE B 7 5.544 -11.010 -1.155 1.00 10.00 O ATOM 865 CB ILE B 7 3.034 -10.857 -2.332 1.00 10.00 C ATOM 866 CG1 ILE B 7 3.255 -10.192 -3.697 1.00 10.00 C ATOM 867 CG2 ILE B 7 1.560 -11.233 -2.175 1.00 10.00 C ATOM 868 CD1 ILE B 7 2.062 -9.297 -4.042 1.00 10.00 C ATOM 0 H ILE B 7 3.550 -8.240 -2.560 1.00 10.00 H new ATOM 0 HA ILE B 7 2.918 -10.129 -0.277 1.00 10.00 H new ATOM 0 HB ILE B 7 3.651 -11.754 -2.273 1.00 10.00 H new ATOM 0 HG12 ILE B 7 4.171 -9.601 -3.679 1.00 10.00 H new ATOM 0 HG13 ILE B 7 3.383 -10.954 -4.466 1.00 10.00 H new ATOM 0 HG21 ILE B 7 1.273 -11.919 -2.972 1.00 10.00 H new ATOM 0 HG22 ILE B 7 1.408 -11.714 -1.209 1.00 10.00 H new ATOM 0 HG23 ILE B 7 0.947 -10.334 -2.233 1.00 10.00 H new ATOM 0 HD11 ILE B 7 2.227 -8.829 -5.012 1.00 10.00 H new ATOM 0 HD12 ILE B 7 1.154 -9.899 -4.079 1.00 10.00 H new ATOM 0 HD13 ILE B 7 1.954 -8.525 -3.280 1.00 10.00 H new ATOM 880 N PRO B 8 5.478 -8.911 -0.415 1.00 10.00 N ATOM 881 CA PRO B 8 6.923 -8.872 -0.082 1.00 10.00 C ATOM 882 C PRO B 8 7.208 -9.699 1.177 1.00 10.00 C ATOM 883 O PRO B 8 6.441 -9.677 2.119 1.00 10.00 O ATOM 884 CB PRO B 8 7.194 -7.400 0.171 1.00 10.00 C ATOM 885 CG PRO B 8 5.879 -6.834 0.574 1.00 10.00 C ATOM 886 CD PRO B 8 4.812 -7.643 -0.111 1.00 10.00 C ATOM 0 HA PRO B 8 7.552 -9.288 -0.869 1.00 10.00 H new ATOM 0 HB2 PRO B 8 7.940 -7.264 0.954 1.00 10.00 H new ATOM 0 HB3 PRO B 8 7.578 -6.909 -0.723 1.00 10.00 H new ATOM 0 HG2 PRO B 8 5.758 -6.877 1.656 1.00 10.00 H new ATOM 0 HG3 PRO B 8 5.809 -5.785 0.287 1.00 10.00 H new ATOM 0 HD2 PRO B 8 3.946 -7.790 0.534 1.00 10.00 H new ATOM 0 HD3 PRO B 8 4.456 -7.151 -1.016 1.00 10.00 H new ATOM 894 N PRO B 9 8.303 -10.410 1.147 1.00 10.00 N ATOM 895 CA PRO B 9 8.689 -11.258 2.298 1.00 10.00 C ATOM 896 C PRO B 9 9.362 -10.437 3.399 1.00 10.00 C ATOM 897 O PRO B 9 10.406 -9.848 3.204 1.00 10.00 O ATOM 898 CB PRO B 9 9.672 -12.252 1.691 1.00 10.00 C ATOM 899 CG PRO B 9 10.246 -11.563 0.488 1.00 10.00 C ATOM 900 CD PRO B 9 9.270 -10.495 0.050 1.00 10.00 C ATOM 0 HA PRO B 9 7.831 -11.734 2.772 1.00 10.00 H new ATOM 0 HB2 PRO B 9 10.454 -12.515 2.403 1.00 10.00 H new ATOM 0 HB3 PRO B 9 9.171 -13.179 1.411 1.00 10.00 H new ATOM 0 HG2 PRO B 9 11.213 -11.120 0.728 1.00 10.00 H new ATOM 0 HG3 PRO B 9 10.414 -12.279 -0.317 1.00 10.00 H new ATOM 0 HD2 PRO B 9 9.772 -9.541 -0.112 1.00 10.00 H new ATOM 0 HD3 PRO B 9 8.784 -10.762 -0.888 1.00 10.00 H new ATOM 908 N GLY B 10 8.768 -10.409 4.561 1.00 10.00 N ATOM 909 CA GLY B 10 9.361 -9.644 5.694 1.00 10.00 C ATOM 910 C GLY B 10 9.797 -8.256 5.226 1.00 10.00 C ATOM 911 O GLY B 10 10.521 -7.563 5.912 1.00 10.00 O ATOM 0 H GLY B 10 7.892 -10.886 4.775 1.00 10.00 H new ATOM 0 HA2 GLY B 10 8.633 -9.551 6.500 1.00 10.00 H new ATOM 0 HA3 GLY B 10 10.217 -10.184 6.098 1.00 10.00 H new ATOM 915 N LEU B 11 9.366 -7.835 4.067 1.00 10.00 N ATOM 916 CA LEU B 11 9.771 -6.484 3.584 1.00 10.00 C ATOM 917 C LEU B 11 8.823 -5.419 4.140 1.00 10.00 C ATOM 918 O LEU B 11 9.241 -4.345 4.526 1.00 10.00 O ATOM 919 CB LEU B 11 9.671 -6.547 2.062 1.00 10.00 C ATOM 920 CG LEU B 11 10.926 -5.929 1.440 1.00 10.00 C ATOM 921 CD1 LEU B 11 10.683 -5.671 -0.048 1.00 10.00 C ATOM 922 CD2 LEU B 11 11.242 -4.604 2.139 1.00 10.00 C ATOM 0 H LEU B 11 8.758 -8.362 3.440 1.00 10.00 H new ATOM 0 HA LEU B 11 10.777 -6.219 3.910 1.00 10.00 H new ATOM 0 HB2 LEU B 11 9.563 -7.582 1.737 1.00 10.00 H new ATOM 0 HB3 LEU B 11 8.784 -6.012 1.723 1.00 10.00 H new ATOM 0 HG LEU B 11 11.765 -6.614 1.559 1.00 10.00 H new ATOM 0 HD11 LEU B 11 11.576 -5.231 -0.492 1.00 10.00 H new ATOM 0 HD12 LEU B 11 10.456 -6.612 -0.548 1.00 10.00 H new ATOM 0 HD13 LEU B 11 9.844 -4.985 -0.166 1.00 10.00 H new ATOM 0 HD21 LEU B 11 12.135 -4.163 1.697 1.00 10.00 H new ATOM 0 HD22 LEU B 11 10.402 -3.920 2.018 1.00 10.00 H new ATOM 0 HD23 LEU B 11 11.414 -4.784 3.200 1.00 10.00 H new ATOM 934 N THR B 12 7.551 -5.708 4.188 1.00 10.00 N ATOM 935 CA THR B 12 6.584 -4.709 4.724 1.00 10.00 C ATOM 936 C THR B 12 7.133 -4.088 6.008 1.00 10.00 C ATOM 937 O THR B 12 6.978 -2.909 6.258 1.00 10.00 O ATOM 938 CB THR B 12 5.309 -5.503 5.012 1.00 10.00 C ATOM 939 OG1 THR B 12 4.660 -5.814 3.787 1.00 10.00 O ATOM 940 CG2 THR B 12 4.374 -4.671 5.890 1.00 10.00 C ATOM 0 H THR B 12 7.141 -6.590 3.880 1.00 10.00 H new ATOM 0 HA THR B 12 6.402 -3.892 4.026 1.00 10.00 H new ATOM 0 HB THR B 12 5.565 -6.426 5.532 1.00 10.00 H new ATOM 0 HG1 THR B 12 3.844 -6.324 3.970 1.00 10.00 H new ATOM 0 HG21 THR B 12 3.466 -5.238 6.094 1.00 10.00 H new ATOM 0 HG22 THR B 12 4.873 -4.434 6.830 1.00 10.00 H new ATOM 0 HG23 THR B 12 4.116 -3.747 5.373 1.00 10.00 H new ATOM 948 N GLU B 13 7.780 -4.874 6.819 1.00 10.00 N ATOM 949 CA GLU B 13 8.350 -4.334 8.086 1.00 10.00 C ATOM 950 C GLU B 13 9.440 -3.307 7.769 1.00 10.00 C ATOM 951 O GLU B 13 9.419 -2.194 8.256 1.00 10.00 O ATOM 952 CB GLU B 13 8.945 -5.545 8.805 1.00 10.00 C ATOM 953 CG GLU B 13 8.505 -5.536 10.269 1.00 10.00 C ATOM 954 CD GLU B 13 9.631 -6.092 11.145 1.00 10.00 C ATOM 955 OE1 GLU B 13 9.775 -7.303 11.191 1.00 10.00 O ATOM 956 OE2 GLU B 13 10.327 -5.298 11.754 1.00 10.00 O ATOM 0 H GLU B 13 7.940 -5.869 6.661 1.00 10.00 H new ATOM 0 HA GLU B 13 7.601 -3.830 8.697 1.00 10.00 H new ATOM 0 HB2 GLU B 13 8.618 -6.465 8.322 1.00 10.00 H new ATOM 0 HB3 GLU B 13 10.033 -5.521 8.741 1.00 10.00 H new ATOM 0 HG2 GLU B 13 8.257 -4.521 10.579 1.00 10.00 H new ATOM 0 HG3 GLU B 13 7.604 -6.136 10.392 1.00 10.00 H new ATOM 963 N LEU B 14 10.387 -3.673 6.950 1.00 10.00 N ATOM 964 CA LEU B 14 11.473 -2.716 6.594 1.00 10.00 C ATOM 965 C LEU B 14 10.879 -1.496 5.885 1.00 10.00 C ATOM 966 O LEU B 14 11.260 -0.370 6.139 1.00 10.00 O ATOM 967 CB LEU B 14 12.393 -3.491 5.649 1.00 10.00 C ATOM 968 CG LEU B 14 13.170 -4.545 6.440 1.00 10.00 C ATOM 969 CD1 LEU B 14 12.584 -5.931 6.162 1.00 10.00 C ATOM 970 CD2 LEU B 14 14.640 -4.519 6.014 1.00 10.00 C ATOM 0 H LEU B 14 10.456 -4.592 6.512 1.00 10.00 H new ATOM 0 HA LEU B 14 12.009 -2.350 7.470 1.00 10.00 H new ATOM 0 HB2 LEU B 14 11.806 -3.969 4.865 1.00 10.00 H new ATOM 0 HB3 LEU B 14 13.085 -2.807 5.157 1.00 10.00 H new ATOM 0 HG LEU B 14 13.094 -4.327 7.505 1.00 10.00 H new ATOM 0 HD11 LEU B 14 13.139 -6.680 6.726 1.00 10.00 H new ATOM 0 HD12 LEU B 14 11.537 -5.951 6.464 1.00 10.00 H new ATOM 0 HD13 LEU B 14 12.658 -6.150 5.097 1.00 10.00 H new ATOM 0 HD21 LEU B 14 15.195 -5.269 6.577 1.00 10.00 H new ATOM 0 HD22 LEU B 14 14.714 -4.736 4.948 1.00 10.00 H new ATOM 0 HD23 LEU B 14 15.059 -3.533 6.213 1.00 10.00 H new ATOM 982 N LEU B 15 9.944 -1.713 4.999 1.00 10.00 N ATOM 983 CA LEU B 15 9.322 -0.568 4.276 1.00 10.00 C ATOM 984 C LEU B 15 8.597 0.346 5.266 1.00 10.00 C ATOM 985 O LEU B 15 8.833 1.537 5.310 1.00 10.00 O ATOM 986 CB LEU B 15 8.326 -1.206 3.306 1.00 10.00 C ATOM 987 CG LEU B 15 8.758 -0.917 1.867 1.00 10.00 C ATOM 988 CD1 LEU B 15 10.120 -1.561 1.604 1.00 10.00 C ATOM 989 CD2 LEU B 15 7.725 -1.498 0.899 1.00 10.00 C ATOM 0 H LEU B 15 9.585 -2.633 4.745 1.00 10.00 H new ATOM 0 HA LEU B 15 10.059 0.045 3.757 1.00 10.00 H new ATOM 0 HB2 LEU B 15 8.278 -2.282 3.473 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.326 -0.811 3.483 1.00 10.00 H new ATOM 0 HG LEU B 15 8.831 0.160 1.719 1.00 10.00 H new ATOM 0 HD11 LEU B 15 10.428 -1.355 0.579 1.00 10.00 H new ATOM 0 HD12 LEU B 15 10.857 -1.149 2.294 1.00 10.00 H new ATOM 0 HD13 LEU B 15 10.048 -2.639 1.752 1.00 10.00 H new ATOM 0 HD21 LEU B 15 8.032 -1.293 -0.127 1.00 10.00 H new ATOM 0 HD22 LEU B 15 7.653 -2.575 1.047 1.00 10.00 H new ATOM 0 HD23 LEU B 15 6.754 -1.040 1.086 1.00 10.00 H new ATOM 1001 N GLN B 16 7.722 -0.203 6.066 1.00 10.00 N ATOM 1002 CA GLN B 16 6.990 0.637 7.057 1.00 10.00 C ATOM 1003 C GLN B 16 7.944 1.666 7.664 1.00 10.00 C ATOM 1004 O GLN B 16 7.780 2.857 7.489 1.00 10.00 O ATOM 1005 CB GLN B 16 6.507 -0.344 8.125 1.00 10.00 C ATOM 1006 CG GLN B 16 5.077 0.010 8.536 1.00 10.00 C ATOM 1007 CD GLN B 16 4.749 -0.655 9.875 1.00 10.00 C ATOM 1008 OE1 GLN B 16 3.818 -1.429 9.970 1.00 10.00 O ATOM 1009 NE2 GLN B 16 5.480 -0.382 10.921 1.00 10.00 N ATOM 0 H GLN B 16 7.483 -1.195 6.076 1.00 10.00 H new ATOM 0 HA GLN B 16 6.162 1.188 6.610 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.544 -1.363 7.741 1.00 10.00 H new ATOM 0 HB3 GLN B 16 7.166 -0.306 8.993 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.969 1.091 8.619 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.375 -0.323 7.771 1.00 10.00 H new ATOM 0 HE21 GLN B 16 6.262 0.268 10.841 1.00 10.00 H new ATOM 0 HE22 GLN B 16 5.269 -0.819 11.818 1.00 10.00 H new ATOM 1018 N GLY B 17 8.949 1.216 8.365 1.00 10.00 N ATOM 1019 CA GLY B 17 9.917 2.174 8.967 1.00 10.00 C ATOM 1020 C GLY B 17 10.338 3.180 7.896 1.00 10.00 C ATOM 1021 O GLY B 17 10.222 4.375 8.073 1.00 10.00 O ATOM 0 H GLY B 17 9.140 0.231 8.546 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.462 2.690 9.813 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.788 1.642 9.349 1.00 10.00 H new ATOM 1025 N TYR B 18 10.820 2.698 6.780 1.00 10.00 N ATOM 1026 CA TYR B 18 11.242 3.613 5.687 1.00 10.00 C ATOM 1027 C TYR B 18 10.284 4.804 5.586 1.00 10.00 C ATOM 1028 O TYR B 18 10.667 5.939 5.784 1.00 10.00 O ATOM 1029 CB TYR B 18 11.174 2.763 4.420 1.00 10.00 C ATOM 1030 CG TYR B 18 12.257 3.211 3.479 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.549 3.421 3.967 1.00 10.00 C ATOM 1032 CD2 TYR B 18 11.972 3.427 2.127 1.00 10.00 C ATOM 1033 CE1 TYR B 18 14.563 3.849 3.101 1.00 10.00 C ATOM 1034 CE2 TYR B 18 12.983 3.858 1.261 1.00 10.00 C ATOM 1035 CZ TYR B 18 14.279 4.069 1.748 1.00 10.00 C ATOM 1036 OH TYR B 18 15.274 4.498 0.895 1.00 10.00 O ATOM 0 H TYR B 18 10.939 1.705 6.581 1.00 10.00 H new ATOM 0 HA TYR B 18 12.237 4.025 5.854 1.00 10.00 H new ATOM 0 HB2 TYR B 18 11.299 1.708 4.666 1.00 10.00 H new ATOM 0 HB3 TYR B 18 10.197 2.866 3.948 1.00 10.00 H new ATOM 0 HD1 TYR B 18 13.766 3.253 5.012 1.00 10.00 H new ATOM 0 HD2 TYR B 18 10.973 3.261 1.752 1.00 10.00 H new ATOM 0 HE1 TYR B 18 15.563 4.009 3.477 1.00 10.00 H new ATOM 0 HE2 TYR B 18 12.764 4.028 0.217 1.00 10.00 H new ATOM 0 HH TYR B 18 15.633 5.352 1.215 1.00 10.00 H new ATOM 1046 N THR B 19 9.041 4.549 5.282 1.00 10.00 N ATOM 1047 CA THR B 19 8.057 5.664 5.166 1.00 10.00 C ATOM 1048 C THR B 19 8.131 6.567 6.403 1.00 10.00 C ATOM 1049 O THR B 19 7.940 7.764 6.320 1.00 10.00 O ATOM 1050 CB THR B 19 6.694 4.968 5.070 1.00 10.00 C ATOM 1051 OG1 THR B 19 6.205 5.077 3.742 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.697 5.617 6.034 1.00 10.00 C ATOM 0 H THR B 19 8.664 3.617 5.109 1.00 10.00 H new ATOM 0 HA THR B 19 8.246 6.305 4.305 1.00 10.00 H new ATOM 0 HB THR B 19 6.811 3.918 5.338 1.00 10.00 H new ATOM 0 HG1 THR B 19 5.335 4.632 3.676 1.00 10.00 H new ATOM 0 HG21 THR B 19 4.734 5.113 5.955 1.00 10.00 H new ATOM 0 HG22 THR B 19 6.069 5.531 7.055 1.00 10.00 H new ATOM 0 HG23 THR B 19 5.577 6.670 5.779 1.00 10.00 H new ATOM 1060 N VAL B 20 8.403 6.003 7.546 1.00 10.00 N ATOM 1061 CA VAL B 20 8.482 6.832 8.783 1.00 10.00 C ATOM 1062 C VAL B 20 9.818 7.580 8.844 1.00 10.00 C ATOM 1063 O VAL B 20 9.970 8.531 9.584 1.00 10.00 O ATOM 1064 CB VAL B 20 8.375 5.833 9.935 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.468 6.578 11.267 1.00 10.00 C ATOM 1066 CG2 VAL B 20 7.032 5.104 9.852 1.00 10.00 C ATOM 0 H VAL B 20 8.574 5.006 7.678 1.00 10.00 H new ATOM 0 HA VAL B 20 7.697 7.588 8.821 1.00 10.00 H new ATOM 0 HB VAL B 20 9.188 5.110 9.866 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.392 5.866 12.088 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.423 7.099 11.326 1.00 10.00 H new ATOM 0 HG13 VAL B 20 7.655 7.301 11.337 1.00 10.00 H new ATOM 0 HG21 VAL B 20 6.954 4.391 10.673 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.220 5.828 9.922 1.00 10.00 H new ATOM 0 HG23 VAL B 20 6.964 4.573 8.902 1.00 10.00 H new ATOM 1076 N GLU B 21 10.785 7.164 8.072 1.00 10.00 N ATOM 1077 CA GLU B 21 12.107 7.862 8.096 1.00 10.00 C ATOM 1078 C GLU B 21 12.160 8.920 6.996 1.00 10.00 C ATOM 1079 O GLU B 21 12.693 9.997 7.178 1.00 10.00 O ATOM 1080 CB GLU B 21 13.157 6.779 7.833 1.00 10.00 C ATOM 1081 CG GLU B 21 12.572 5.407 8.151 1.00 10.00 C ATOM 1082 CD GLU B 21 13.699 4.431 8.493 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.481 4.745 9.375 1.00 10.00 O ATOM 1084 OE2 GLU B 21 13.760 3.385 7.868 1.00 10.00 O ATOM 0 H GLU B 21 10.720 6.376 7.428 1.00 10.00 H new ATOM 0 HA GLU B 21 12.278 8.366 9.047 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.478 6.816 6.792 1.00 10.00 H new ATOM 0 HB3 GLU B 21 14.040 6.959 8.446 1.00 10.00 H new ATOM 0 HG2 GLU B 21 11.877 5.483 8.988 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.004 5.037 7.297 1.00 10.00 H new ATOM 1091 N VAL B 22 11.612 8.618 5.853 1.00 10.00 N ATOM 1092 CA VAL B 22 11.633 9.602 4.732 1.00 10.00 C ATOM 1093 C VAL B 22 10.741 10.799 5.067 1.00 10.00 C ATOM 1094 O VAL B 22 10.996 11.910 4.650 1.00 10.00 O ATOM 1095 CB VAL B 22 11.086 8.847 3.518 1.00 10.00 C ATOM 1096 CG1 VAL B 22 11.620 9.491 2.241 1.00 10.00 C ATOM 1097 CG2 VAL B 22 11.537 7.385 3.563 1.00 10.00 C ATOM 0 H VAL B 22 11.150 7.733 5.645 1.00 10.00 H new ATOM 0 HA VAL B 22 12.634 9.991 4.546 1.00 10.00 H new ATOM 0 HB VAL B 22 9.997 8.891 3.533 1.00 10.00 H new ATOM 0 HG11 VAL B 22 11.232 8.956 1.374 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.300 10.532 2.197 1.00 10.00 H new ATOM 0 HG13 VAL B 22 12.709 9.445 2.238 1.00 10.00 H new ATOM 0 HG21 VAL B 22 11.143 6.856 2.695 1.00 10.00 H new ATOM 0 HG22 VAL B 22 12.626 7.340 3.552 1.00 10.00 H new ATOM 0 HG23 VAL B 22 11.164 6.917 4.474 1.00 10.00 H new ATOM 1107 N LEU B 23B 9.694 10.583 5.815 1.00 10.00 N ATOM 1108 CA LEU B 23B 8.790 11.713 6.171 1.00 10.00 C ATOM 1109 C LEU B 23B 9.246 12.371 7.477 1.00 10.00 C ATOM 1110 O LEU B 23B 9.111 13.565 7.660 1.00 10.00 O ATOM 1111 CB LEU B 23B 7.410 11.078 6.336 1.00 10.00 C ATOM 1112 CG LEU B 23B 6.705 11.050 4.980 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 6.326 9.611 4.628 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 5.441 11.909 5.046 1.00 10.00 C ATOM 0 H LEU B 23B 9.426 9.675 6.194 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.789 12.496 5.412 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.507 10.066 6.730 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 6.819 11.645 7.055 1.00 10.00 H new ATOM 0 HG LEU B 23B 7.374 11.444 4.216 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 5.823 9.593 3.661 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 7.227 8.999 4.580 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 5.657 9.214 5.392 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 4.937 11.890 4.080 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 4.773 11.515 5.811 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 5.711 12.935 5.294 1.00 10.00 H new ATOM 1126 N ARG B 24 9.784 11.606 8.386 1.00 10.00 N ATOM 1127 CA ARG B 24 10.246 12.198 9.675 1.00 10.00 C ATOM 1128 C ARG B 24 11.557 12.963 9.472 1.00 10.00 C ATOM 1129 O ARG B 24 11.605 14.172 9.576 1.00 10.00 O ATOM 1130 CB ARG B 24 10.469 11.003 10.604 1.00 10.00 C ATOM 1131 CG ARG B 24 11.316 11.438 11.800 1.00 10.00 C ATOM 1132 CD ARG B 24 10.582 11.100 13.099 1.00 10.00 C ATOM 1133 NE ARG B 24 11.478 11.580 14.186 1.00 10.00 N ATOM 1134 CZ ARG B 24 12.739 11.240 14.195 1.00 10.00 C ATOM 1135 NH1 ARG B 24 13.100 10.057 13.776 1.00 10.00 N ATOM 1136 NH2 ARG B 24 13.639 12.081 14.624 1.00 10.00 N ATOM 0 H ARG B 24 9.924 10.600 8.294 1.00 10.00 H new ATOM 0 HA ARG B 24 9.524 12.906 10.081 1.00 10.00 H new ATOM 0 HB2 ARG B 24 9.511 10.611 10.946 1.00 10.00 H new ATOM 0 HB3 ARG B 24 10.968 10.198 10.065 1.00 10.00 H new ATOM 0 HG2 ARG B 24 12.283 10.936 11.776 1.00 10.00 H new ATOM 0 HG3 ARG B 24 11.512 12.509 11.749 1.00 10.00 H new ATOM 0 HD2 ARG B 24 9.610 11.592 13.143 1.00 10.00 H new ATOM 0 HD3 ARG B 24 10.400 10.028 13.182 1.00 10.00 H new ATOM 0 HE ARG B 24 11.106 12.176 14.926 1.00 10.00 H new ATOM 0 HH11 ARG B 24 12.397 9.398 13.441 1.00 10.00 H new ATOM 0 HH12 ARG B 24 14.085 9.792 13.783 1.00 10.00 H new ATOM 0 HH21 ARG B 24 13.358 13.005 14.953 1.00 10.00 H new ATOM 0 HH22 ARG B 24 14.624 11.815 14.631 1.00 10.00 H new ATOM 1150 N GLN B 25 12.621 12.263 9.190 1.00 10.00 N ATOM 1151 CA GLN B 25 13.934 12.940 8.986 1.00 10.00 C ATOM 1152 C GLN B 25 13.971 13.622 7.613 1.00 10.00 C ATOM 1153 O GLN B 25 14.764 14.510 7.375 1.00 10.00 O ATOM 1154 CB GLN B 25 14.971 11.808 9.090 1.00 10.00 C ATOM 1155 CG GLN B 25 15.954 11.845 7.911 1.00 10.00 C ATOM 1156 CD GLN B 25 17.287 12.438 8.371 1.00 10.00 C ATOM 1157 OE1 GLN B 25 17.403 13.634 8.550 1.00 10.00 O ATOM 1158 NE2 GLN B 25 18.305 11.646 8.571 1.00 10.00 N ATOM 0 H GLN B 25 12.638 11.248 9.092 1.00 10.00 H new ATOM 0 HA GLN B 25 14.127 13.727 9.716 1.00 10.00 H new ATOM 0 HB2 GLN B 25 15.520 11.899 10.027 1.00 10.00 H new ATOM 0 HB3 GLN B 25 14.461 10.845 9.112 1.00 10.00 H new ATOM 0 HG2 GLN B 25 16.108 10.839 7.521 1.00 10.00 H new ATOM 0 HG3 GLN B 25 15.540 12.442 7.098 1.00 10.00 H new ATOM 0 HE21 GLN B 25 18.207 10.642 8.421 1.00 10.00 H new ATOM 0 HE22 GLN B 25 19.198 12.031 8.878 1.00 10.00 H new ATOM 1167 N GLN B 26 13.123 13.211 6.709 1.00 10.00 N ATOM 1168 CA GLN B 26 13.119 13.838 5.356 1.00 10.00 C ATOM 1169 C GLN B 26 14.558 14.025 4.865 1.00 10.00 C ATOM 1170 O GLN B 26 15.070 15.127 4.850 1.00 10.00 O ATOM 1171 CB GLN B 26 12.431 15.191 5.543 1.00 10.00 C ATOM 1172 CG GLN B 26 11.146 15.227 4.713 1.00 10.00 C ATOM 1173 CD GLN B 26 11.196 16.410 3.742 1.00 10.00 C ATOM 1174 OE1 GLN B 26 10.748 17.494 4.063 1.00 10.00 O ATOM 1175 NE2 GLN B 26 11.723 16.245 2.559 1.00 10.00 N ATOM 0 H GLN B 26 12.435 12.471 6.848 1.00 10.00 H new ATOM 0 HA GLN B 26 12.605 13.226 4.615 1.00 10.00 H new ATOM 0 HB2 GLN B 26 12.201 15.352 6.596 1.00 10.00 H new ATOM 0 HB3 GLN B 26 13.098 15.996 5.236 1.00 10.00 H new ATOM 0 HG2 GLN B 26 11.031 14.294 4.161 1.00 10.00 H new ATOM 0 HG3 GLN B 26 10.280 15.318 5.369 1.00 10.00 H new ATOM 0 HE21 GLN B 26 12.099 15.336 2.290 1.00 10.00 H new ATOM 0 HE22 GLN B 26 11.759 17.026 1.903 1.00 10.00 H new ATOM 1184 N PRO B 27 15.160 12.933 4.482 1.00 10.00 N ATOM 1185 CA PRO B 27 16.558 12.963 3.986 1.00 10.00 C ATOM 1186 C PRO B 27 16.635 13.665 2.628 1.00 10.00 C ATOM 1187 O PRO B 27 15.637 13.825 1.953 1.00 10.00 O ATOM 1188 CB PRO B 27 16.924 11.486 3.859 1.00 10.00 C ATOM 1189 CG PRO B 27 15.617 10.784 3.693 1.00 10.00 C ATOM 1190 CD PRO B 27 14.605 11.578 4.475 1.00 10.00 C ATOM 0 HA PRO B 27 17.233 13.510 4.644 1.00 10.00 H new ATOM 0 HB2 PRO B 27 17.578 11.312 3.004 1.00 10.00 H new ATOM 0 HB3 PRO B 27 17.454 11.132 4.743 1.00 10.00 H new ATOM 0 HG2 PRO B 27 15.337 10.728 2.641 1.00 10.00 H new ATOM 0 HG3 PRO B 27 15.677 9.760 4.062 1.00 10.00 H new ATOM 0 HD2 PRO B 27 13.623 11.550 4.004 1.00 10.00 H new ATOM 0 HD3 PRO B 27 14.485 11.189 5.486 1.00 10.00 H new ATOM 1198 N PRO B 28 17.828 14.058 2.274 1.00 10.00 N ATOM 1199 CA PRO B 28 18.054 14.750 0.982 1.00 10.00 C ATOM 1200 C PRO B 28 17.856 13.778 -0.184 1.00 10.00 C ATOM 1201 O PRO B 28 17.069 14.018 -1.079 1.00 10.00 O ATOM 1202 CB PRO B 28 19.506 15.210 1.069 1.00 10.00 C ATOM 1203 CG PRO B 28 20.142 14.277 2.047 1.00 10.00 C ATOM 1204 CD PRO B 28 19.070 13.898 3.033 1.00 10.00 C ATOM 0 HA PRO B 28 17.363 15.575 0.810 1.00 10.00 H new ATOM 0 HB2 PRO B 28 19.996 15.159 0.097 1.00 10.00 H new ATOM 0 HB3 PRO B 28 19.574 16.244 1.407 1.00 10.00 H new ATOM 0 HG2 PRO B 28 20.535 13.394 1.542 1.00 10.00 H new ATOM 0 HG3 PRO B 28 20.981 14.756 2.551 1.00 10.00 H new ATOM 0 HD2 PRO B 28 19.194 12.874 3.386 1.00 10.00 H new ATOM 0 HD3 PRO B 28 19.088 14.543 3.912 1.00 10.00 H new ATOM 1212 N ASP B 29 18.562 12.682 -0.178 1.00 10.00 N ATOM 1213 CA ASP B 29 18.413 11.691 -1.283 1.00 10.00 C ATOM 1214 C ASP B 29 17.869 10.370 -0.731 1.00 10.00 C ATOM 1215 O ASP B 29 18.438 9.781 0.165 1.00 10.00 O ATOM 1216 CB ASP B 29 19.824 11.502 -1.841 1.00 10.00 C ATOM 1217 CG ASP B 29 20.482 12.869 -2.038 1.00 10.00 C ATOM 1218 OD1 ASP B 29 19.758 13.849 -2.094 1.00 10.00 O ATOM 1219 OD2 ASP B 29 21.697 12.912 -2.131 1.00 10.00 O ATOM 0 H ASP B 29 19.236 12.428 0.544 1.00 10.00 H new ATOM 0 HA ASP B 29 17.716 12.027 -2.051 1.00 10.00 H new ATOM 0 HB2 ASP B 29 20.419 10.895 -1.158 1.00 10.00 H new ATOM 0 HB3 ASP B 29 19.783 10.966 -2.789 1.00 10.00 H new ATOM 1224 N LEU B 30 16.768 9.905 -1.254 1.00 10.00 N ATOM 1225 CA LEU B 30 16.188 8.627 -0.753 1.00 10.00 C ATOM 1226 C LEU B 30 17.040 7.441 -1.211 1.00 10.00 C ATOM 1227 O LEU B 30 17.551 6.689 -0.405 1.00 10.00 O ATOM 1228 CB LEU B 30 14.789 8.563 -1.376 1.00 10.00 C ATOM 1229 CG LEU B 30 13.876 7.667 -0.535 1.00 10.00 C ATOM 1230 CD1 LEU B 30 14.170 6.198 -0.844 1.00 10.00 C ATOM 1231 CD2 LEU B 30 14.117 7.930 0.952 1.00 10.00 C ATOM 0 H LEU B 30 16.245 10.354 -2.006 1.00 10.00 H new ATOM 0 HA LEU B 30 16.153 8.584 0.336 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.366 9.565 -1.442 1.00 10.00 H new ATOM 0 HB3 LEU B 30 14.853 8.177 -2.393 1.00 10.00 H new ATOM 0 HG LEU B 30 12.837 7.890 -0.778 1.00 10.00 H new ATOM 0 HD11 LEU B 30 13.519 5.563 -0.244 1.00 10.00 H new ATOM 0 HD12 LEU B 30 13.990 6.006 -1.902 1.00 10.00 H new ATOM 0 HD13 LEU B 30 15.211 5.978 -0.607 1.00 10.00 H new ATOM 0 HD21 LEU B 30 13.464 7.289 1.545 1.00 10.00 H new ATOM 0 HD22 LEU B 30 15.157 7.714 1.196 1.00 10.00 H new ATOM 0 HD23 LEU B 30 13.902 8.975 1.176 1.00 10.00 H new ATOM 1243 N VAL B 31 17.200 7.269 -2.495 1.00 10.00 N ATOM 1244 CA VAL B 31 18.027 6.134 -3.003 1.00 10.00 C ATOM 1245 C VAL B 31 19.186 5.865 -2.049 1.00 10.00 C ATOM 1246 O VAL B 31 19.253 4.840 -1.400 1.00 10.00 O ATOM 1247 CB VAL B 31 18.564 6.610 -4.349 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.270 5.452 -5.057 1.00 10.00 C ATOM 1249 CG2 VAL B 31 17.402 7.102 -5.212 1.00 10.00 C ATOM 0 H VAL B 31 16.794 7.865 -3.216 1.00 10.00 H new ATOM 0 HA VAL B 31 17.452 5.212 -3.089 1.00 10.00 H new ATOM 0 HB VAL B 31 19.272 7.423 -4.191 1.00 10.00 H new ATOM 0 HG11 VAL B 31 19.653 5.793 -6.019 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.097 5.099 -4.441 1.00 10.00 H new ATOM 0 HG13 VAL B 31 18.563 4.638 -5.216 1.00 10.00 H new ATOM 0 HG21 VAL B 31 17.783 7.443 -6.175 1.00 10.00 H new ATOM 0 HG22 VAL B 31 16.695 6.287 -5.369 1.00 10.00 H new ATOM 0 HG23 VAL B 31 16.898 7.927 -4.708 1.00 10.00 H new ATOM 1259 N ASP B 32 20.098 6.790 -1.961 1.00 10.00 N ATOM 1260 CA ASP B 32 21.259 6.613 -1.051 1.00 10.00 C ATOM 1261 C ASP B 32 20.771 6.231 0.350 1.00 10.00 C ATOM 1262 O ASP B 32 21.316 5.353 0.990 1.00 10.00 O ATOM 1263 CB ASP B 32 21.950 7.978 -1.060 1.00 10.00 C ATOM 1264 CG ASP B 32 21.739 8.686 0.282 1.00 10.00 C ATOM 1265 OD1 ASP B 32 20.695 9.294 0.451 1.00 10.00 O ATOM 1266 OD2 ASP B 32 22.626 8.608 1.117 1.00 10.00 O ATOM 0 H ASP B 32 20.088 7.666 -2.484 1.00 10.00 H new ATOM 0 HA ASP B 32 21.936 5.817 -1.360 1.00 10.00 H new ATOM 0 HB2 ASP B 32 23.016 7.853 -1.250 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.552 8.590 -1.869 1.00 10.00 H new ATOM 1271 N PHE B 33 19.739 6.873 0.830 1.00 10.00 N ATOM 1272 CA PHE B 33 19.218 6.529 2.184 1.00 10.00 C ATOM 1273 C PHE B 33 18.822 5.053 2.215 1.00 10.00 C ATOM 1274 O PHE B 33 19.238 4.304 3.078 1.00 10.00 O ATOM 1275 CB PHE B 33 17.990 7.417 2.389 1.00 10.00 C ATOM 1276 CG PHE B 33 17.311 7.041 3.687 1.00 10.00 C ATOM 1277 CD1 PHE B 33 18.028 7.078 4.889 1.00 10.00 C ATOM 1278 CD2 PHE B 33 15.964 6.656 3.688 1.00 10.00 C ATOM 1279 CE1 PHE B 33 17.399 6.730 6.091 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.335 6.308 4.890 1.00 10.00 C ATOM 1281 CZ PHE B 33 16.053 6.345 6.092 1.00 10.00 C ATOM 0 H PHE B 33 19.237 7.617 0.345 1.00 10.00 H new ATOM 0 HA PHE B 33 19.959 6.689 2.967 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.285 8.466 2.411 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.298 7.298 1.556 1.00 10.00 H new ATOM 0 HD1 PHE B 33 19.066 7.375 4.889 1.00 10.00 H new ATOM 0 HD2 PHE B 33 15.410 6.628 2.761 1.00 10.00 H new ATOM 0 HE1 PHE B 33 17.953 6.759 7.018 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.297 6.011 4.890 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.569 6.077 7.019 1.00 10.00 H new ATOM 1291 N ALA B 34 18.027 4.625 1.273 1.00 10.00 N ATOM 1292 CA ALA B 34 17.615 3.194 1.240 1.00 10.00 C ATOM 1293 C ALA B 34 18.850 2.305 1.368 1.00 10.00 C ATOM 1294 O ALA B 34 18.824 1.266 1.997 1.00 10.00 O ATOM 1295 CB ALA B 34 16.962 2.999 -0.128 1.00 10.00 C ATOM 0 H ALA B 34 17.645 5.204 0.525 1.00 10.00 H new ATOM 0 HA ALA B 34 16.937 2.935 2.053 1.00 10.00 H new ATOM 0 HB1 ALA B 34 16.631 1.965 -0.229 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.105 3.666 -0.220 1.00 10.00 H new ATOM 0 HB3 ALA B 34 17.684 3.227 -0.912 1.00 10.00 H new ATOM 1301 N VAL B 35 19.933 2.712 0.771 1.00 10.00 N ATOM 1302 CA VAL B 35 21.174 1.910 0.839 1.00 10.00 C ATOM 1303 C VAL B 35 21.911 2.189 2.151 1.00 10.00 C ATOM 1304 O VAL B 35 22.179 1.294 2.926 1.00 10.00 O ATOM 1305 CB VAL B 35 21.979 2.400 -0.356 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.453 2.089 -0.141 1.00 10.00 C ATOM 1307 CG2 VAL B 35 21.480 1.700 -1.619 1.00 10.00 C ATOM 0 H VAL B 35 20.008 3.576 0.234 1.00 10.00 H new ATOM 0 HA VAL B 35 20.998 0.835 0.812 1.00 10.00 H new ATOM 0 HB VAL B 35 21.855 3.477 -0.465 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.028 2.441 -0.998 1.00 10.00 H new ATOM 0 HG12 VAL B 35 23.803 2.591 0.761 1.00 10.00 H new ATOM 0 HG13 VAL B 35 23.586 1.013 -0.032 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.053 2.048 -2.478 1.00 10.00 H new ATOM 0 HG22 VAL B 35 21.605 0.623 -1.511 1.00 10.00 H new ATOM 0 HG23 VAL B 35 20.425 1.930 -1.770 1.00 10.00 H new ATOM 1317 N GLU B 36 22.239 3.425 2.407 1.00 10.00 N ATOM 1318 CA GLU B 36 22.958 3.758 3.670 1.00 10.00 C ATOM 1319 C GLU B 36 22.235 3.143 4.871 1.00 10.00 C ATOM 1320 O GLU B 36 22.851 2.606 5.771 1.00 10.00 O ATOM 1321 CB GLU B 36 22.930 5.284 3.748 1.00 10.00 C ATOM 1322 CG GLU B 36 23.610 5.870 2.511 1.00 10.00 C ATOM 1323 CD GLU B 36 24.969 6.452 2.902 1.00 10.00 C ATOM 1324 OE1 GLU B 36 25.059 7.026 3.974 1.00 10.00 O ATOM 1325 OE2 GLU B 36 25.897 6.314 2.122 1.00 10.00 O ATOM 0 H GLU B 36 22.041 4.218 1.797 1.00 10.00 H new ATOM 0 HA GLU B 36 23.976 3.367 3.682 1.00 10.00 H new ATOM 0 HB2 GLU B 36 21.901 5.637 3.812 1.00 10.00 H new ATOM 0 HB3 GLU B 36 23.439 5.622 4.651 1.00 10.00 H new ATOM 0 HG2 GLU B 36 23.738 5.097 1.753 1.00 10.00 H new ATOM 0 HG3 GLU B 36 22.983 6.646 2.072 1.00 10.00 H new ATOM 1332 N TYR B 37 20.932 3.216 4.892 1.00 10.00 N ATOM 1333 CA TYR B 37 20.171 2.638 6.038 1.00 10.00 C ATOM 1334 C TYR B 37 20.204 1.108 5.982 1.00 10.00 C ATOM 1335 O TYR B 37 20.759 0.458 6.846 1.00 10.00 O ATOM 1336 CB TYR B 37 18.741 3.148 5.862 1.00 10.00 C ATOM 1337 CG TYR B 37 17.875 2.605 6.972 1.00 10.00 C ATOM 1338 CD1 TYR B 37 18.338 2.622 8.294 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.609 2.083 6.680 1.00 10.00 C ATOM 1340 CE1 TYR B 37 17.534 2.118 9.324 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.805 1.578 7.710 1.00 10.00 C ATOM 1342 CZ TYR B 37 16.268 1.596 9.032 1.00 10.00 C ATOM 1343 OH TYR B 37 15.476 1.099 10.048 1.00 10.00 O ATOM 0 H TYR B 37 20.361 3.650 4.167 1.00 10.00 H new ATOM 0 HA TYR B 37 20.594 2.929 7.000 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.728 4.238 5.875 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.349 2.836 4.894 1.00 10.00 H new ATOM 0 HD1 TYR B 37 19.315 3.024 8.519 1.00 10.00 H new ATOM 0 HD2 TYR B 37 16.252 2.070 5.661 1.00 10.00 H new ATOM 0 HE1 TYR B 37 17.890 2.132 10.343 1.00 10.00 H new ATOM 0 HE2 TYR B 37 14.829 1.175 7.485 1.00 10.00 H new ATOM 0 HH TYR B 37 14.629 0.776 9.675 1.00 10.00 H new ATOM 1353 N PHE B 38 19.612 0.527 4.975 1.00 10.00 N ATOM 1354 CA PHE B 38 19.607 -0.961 4.870 1.00 10.00 C ATOM 1355 C PHE B 38 21.040 -1.503 4.874 1.00 10.00 C ATOM 1356 O PHE B 38 21.321 -2.529 5.461 1.00 10.00 O ATOM 1357 CB PHE B 38 18.918 -1.262 3.537 1.00 10.00 C ATOM 1358 CG PHE B 38 17.447 -0.930 3.639 1.00 10.00 C ATOM 1359 CD1 PHE B 38 16.739 -1.225 4.812 1.00 10.00 C ATOM 1360 CD2 PHE B 38 16.790 -0.322 2.562 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.377 -0.915 4.905 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.429 -0.012 2.656 1.00 10.00 C ATOM 1363 CZ PHE B 38 14.722 -0.309 3.827 1.00 10.00 C ATOM 0 H PHE B 38 19.132 1.017 4.220 1.00 10.00 H new ATOM 0 HA PHE B 38 19.094 -1.431 5.709 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.378 -0.679 2.739 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.047 -2.313 3.279 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.244 -1.692 5.645 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.334 -0.092 1.658 1.00 10.00 H new ATOM 0 HE1 PHE B 38 14.832 -1.144 5.809 1.00 10.00 H new ATOM 0 HE2 PHE B 38 14.924 0.457 1.825 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.671 -0.070 3.899 1.00 10.00 H new ATOM 1373 N THR B 39 21.950 -0.826 4.227 1.00 10.00 N ATOM 1374 CA THR B 39 23.361 -1.314 4.203 1.00 10.00 C ATOM 1375 C THR B 39 23.869 -1.521 5.632 1.00 10.00 C ATOM 1376 O THR B 39 24.546 -2.485 5.928 1.00 10.00 O ATOM 1377 CB THR B 39 24.163 -0.209 3.509 1.00 10.00 C ATOM 1378 OG1 THR B 39 23.792 -0.136 2.140 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.656 -0.520 3.615 1.00 10.00 C ATOM 0 H THR B 39 21.780 0.040 3.716 1.00 10.00 H new ATOM 0 HA THR B 39 23.454 -2.268 3.684 1.00 10.00 H new ATOM 0 HB THR B 39 23.953 0.746 3.991 1.00 10.00 H new ATOM 0 HG1 THR B 39 24.590 0.019 1.593 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.227 0.266 3.121 1.00 10.00 H new ATOM 0 HG22 THR B 39 25.943 -0.572 4.665 1.00 10.00 H new ATOM 0 HG23 THR B 39 25.864 -1.476 3.134 1.00 10.00 H new ATOM 1387 N ARG B 40 23.548 -0.619 6.519 1.00 10.00 N ATOM 1388 CA ARG B 40 24.013 -0.758 7.928 1.00 10.00 C ATOM 1389 C ARG B 40 23.262 -1.892 8.632 1.00 10.00 C ATOM 1390 O ARG B 40 23.780 -2.532 9.524 1.00 10.00 O ATOM 1391 CB ARG B 40 23.692 0.587 8.582 1.00 10.00 C ATOM 1392 CG ARG B 40 24.844 1.563 8.334 1.00 10.00 C ATOM 1393 CD ARG B 40 24.285 2.972 8.122 1.00 10.00 C ATOM 1394 NE ARG B 40 25.146 3.855 8.956 1.00 10.00 N ATOM 1395 CZ ARG B 40 24.811 5.103 9.146 1.00 10.00 C ATOM 1396 NH1 ARG B 40 24.103 5.732 8.248 1.00 10.00 N ATOM 1397 NH2 ARG B 40 25.184 5.720 10.233 1.00 10.00 N ATOM 0 H ARG B 40 22.983 0.209 6.328 1.00 10.00 H new ATOM 0 HA ARG B 40 25.074 -1.001 7.989 1.00 10.00 H new ATOM 0 HB2 ARG B 40 22.765 0.990 8.173 1.00 10.00 H new ATOM 0 HB3 ARG B 40 23.537 0.455 9.653 1.00 10.00 H new ATOM 0 HG2 ARG B 40 25.529 1.556 9.182 1.00 10.00 H new ATOM 0 HG3 ARG B 40 25.416 1.252 7.460 1.00 10.00 H new ATOM 0 HD2 ARG B 40 24.325 3.259 7.071 1.00 10.00 H new ATOM 0 HD3 ARG B 40 23.241 3.033 8.429 1.00 10.00 H new ATOM 0 HE ARG B 40 25.997 3.485 9.379 1.00 10.00 H new ATOM 0 HH11 ARG B 40 23.812 5.249 7.398 1.00 10.00 H new ATOM 0 HH12 ARG B 40 23.841 6.707 8.396 1.00 10.00 H new ATOM 0 HH21 ARG B 40 25.737 5.228 10.934 1.00 10.00 H new ATOM 0 HH22 ARG B 40 24.922 6.695 10.381 1.00 10.00 H new ATOM 1411 N LEU B 41 22.043 -2.145 8.239 1.00 10.00 N ATOM 1412 CA LEU B 41 21.264 -3.239 8.890 1.00 10.00 C ATOM 1413 C LEU B 41 21.929 -4.593 8.633 1.00 10.00 C ATOM 1414 O LEU B 41 22.002 -5.436 9.505 1.00 10.00 O ATOM 1415 CB LEU B 41 19.882 -3.187 8.236 1.00 10.00 C ATOM 1416 CG LEU B 41 18.805 -3.362 9.307 1.00 10.00 C ATOM 1417 CD1 LEU B 41 17.433 -3.056 8.706 1.00 10.00 C ATOM 1418 CD2 LEU B 41 18.827 -4.804 9.819 1.00 10.00 C ATOM 0 H LEU B 41 21.553 -1.644 7.498 1.00 10.00 H new ATOM 0 HA LEU B 41 21.208 -3.115 9.972 1.00 10.00 H new ATOM 0 HB2 LEU B 41 19.747 -2.236 7.721 1.00 10.00 H new ATOM 0 HB3 LEU B 41 19.794 -3.972 7.484 1.00 10.00 H new ATOM 0 HG LEU B 41 19.000 -2.679 10.134 1.00 10.00 H new ATOM 0 HD11 LEU B 41 16.665 -3.181 9.470 1.00 10.00 H new ATOM 0 HD12 LEU B 41 17.417 -2.030 8.340 1.00 10.00 H new ATOM 0 HD13 LEU B 41 17.237 -3.739 7.880 1.00 10.00 H new ATOM 0 HD21 LEU B 41 18.060 -4.931 10.583 1.00 10.00 H new ATOM 0 HD22 LEU B 41 18.632 -5.487 8.992 1.00 10.00 H new ATOM 0 HD23 LEU B 41 19.805 -5.023 10.247 1.00 10.00 H new ATOM 1430 N ARG B 42 22.418 -4.809 7.442 1.00 10.00 N ATOM 1431 CA ARG B 42 23.079 -6.108 7.130 1.00 10.00 C ATOM 1432 C ARG B 42 24.253 -6.349 8.084 1.00 10.00 C ATOM 1433 O ARG B 42 24.772 -7.444 8.180 1.00 10.00 O ATOM 1434 CB ARG B 42 23.572 -5.961 5.690 1.00 10.00 C ATOM 1435 CG ARG B 42 22.611 -6.694 4.750 1.00 10.00 C ATOM 1436 CD ARG B 42 23.200 -8.048 4.332 1.00 10.00 C ATOM 1437 NE ARG B 42 24.137 -8.437 5.424 1.00 10.00 N ATOM 1438 CZ ARG B 42 25.279 -8.995 5.128 1.00 10.00 C ATOM 1439 NH1 ARG B 42 25.393 -9.715 4.047 1.00 10.00 N ATOM 1440 NH2 ARG B 42 26.308 -8.833 5.913 1.00 10.00 N ATOM 0 H ARG B 42 22.388 -4.142 6.671 1.00 10.00 H new ATOM 0 HA ARG B 42 22.404 -6.956 7.245 1.00 10.00 H new ATOM 0 HB2 ARG B 42 23.631 -4.907 5.419 1.00 10.00 H new ATOM 0 HB3 ARG B 42 24.577 -6.371 5.594 1.00 10.00 H new ATOM 0 HG2 ARG B 42 21.652 -6.845 5.246 1.00 10.00 H new ATOM 0 HG3 ARG B 42 22.421 -6.085 3.866 1.00 10.00 H new ATOM 0 HD2 ARG B 42 22.415 -8.794 4.206 1.00 10.00 H new ATOM 0 HD3 ARG B 42 23.722 -7.970 3.378 1.00 10.00 H new ATOM 0 HE ARG B 42 23.887 -8.268 6.398 1.00 10.00 H new ATOM 0 HH11 ARG B 42 24.589 -9.842 3.432 1.00 10.00 H new ATOM 0 HH12 ARG B 42 26.286 -10.151 3.816 1.00 10.00 H new ATOM 0 HH21 ARG B 42 26.220 -8.270 6.759 1.00 10.00 H new ATOM 0 HH22 ARG B 42 27.200 -9.269 5.681 1.00 10.00 H new ATOM 1454 N GLU B 43 24.674 -5.336 8.792 1.00 10.00 N ATOM 1455 CA GLU B 43 25.813 -5.509 9.740 1.00 10.00 C ATOM 1456 C GLU B 43 25.317 -5.428 11.188 1.00 10.00 C ATOM 1457 O GLU B 43 26.096 -5.329 12.115 1.00 10.00 O ATOM 1458 CB GLU B 43 26.759 -4.347 9.435 1.00 10.00 C ATOM 1459 CG GLU B 43 27.395 -4.554 8.059 1.00 10.00 C ATOM 1460 CD GLU B 43 28.912 -4.395 8.170 1.00 10.00 C ATOM 1461 OE1 GLU B 43 29.346 -3.363 8.656 1.00 10.00 O ATOM 1462 OE2 GLU B 43 29.615 -5.307 7.766 1.00 10.00 O ATOM 0 H GLU B 43 24.279 -4.396 8.755 1.00 10.00 H new ATOM 0 HA GLU B 43 26.301 -6.477 9.626 1.00 10.00 H new ATOM 0 HB2 GLU B 43 26.213 -3.404 9.457 1.00 10.00 H new ATOM 0 HB3 GLU B 43 27.533 -4.284 10.200 1.00 10.00 H new ATOM 0 HG2 GLU B 43 27.149 -5.545 7.678 1.00 10.00 H new ATOM 0 HG3 GLU B 43 26.994 -3.831 7.349 1.00 10.00 H new ATOM 1469 N ALA B 44 24.027 -5.468 11.387 1.00 10.00 N ATOM 1470 CA ALA B 44 23.485 -5.391 12.774 1.00 10.00 C ATOM 1471 C ALA B 44 22.548 -6.559 13.050 1.00 10.00 C ATOM 1472 O ALA B 44 22.856 -7.458 13.808 1.00 10.00 O ATOM 1473 CB ALA B 44 22.680 -4.096 12.821 1.00 10.00 C ATOM 0 H ALA B 44 23.326 -5.551 10.650 1.00 10.00 H new ATOM 0 HA ALA B 44 24.286 -5.422 13.512 1.00 10.00 H new ATOM 0 HB1 ALA B 44 22.249 -3.971 13.814 1.00 10.00 H new ATOM 0 HB2 ALA B 44 23.334 -3.253 12.601 1.00 10.00 H new ATOM 0 HB3 ALA B 44 21.880 -4.138 12.082 1.00 10.00 H new ATOM 1479 N ARG B 45 21.389 -6.524 12.452 1.00 10.00 N ATOM 1480 CA ARG B 45 20.384 -7.597 12.672 1.00 10.00 C ATOM 1481 C ARG B 45 21.063 -8.913 13.066 1.00 10.00 C ATOM 1482 O ARG B 45 21.875 -9.446 12.338 1.00 10.00 O ATOM 1483 CB ARG B 45 19.659 -7.745 11.333 1.00 10.00 C ATOM 1484 CG ARG B 45 18.650 -8.892 11.421 1.00 10.00 C ATOM 1485 CD ARG B 45 17.269 -8.395 10.990 1.00 10.00 C ATOM 1486 NE ARG B 45 16.340 -9.516 11.305 1.00 10.00 N ATOM 1487 CZ ARG B 45 16.023 -9.776 12.545 1.00 10.00 C ATOM 1488 NH1 ARG B 45 16.372 -8.953 13.496 1.00 10.00 N ATOM 1489 NH2 ARG B 45 15.356 -10.860 12.834 1.00 10.00 N ATOM 0 H ARG B 45 21.094 -5.787 11.812 1.00 10.00 H new ATOM 0 HA ARG B 45 19.700 -7.349 13.484 1.00 10.00 H new ATOM 0 HB2 ARG B 45 19.148 -6.816 11.080 1.00 10.00 H new ATOM 0 HB3 ARG B 45 20.378 -7.940 10.538 1.00 10.00 H new ATOM 0 HG2 ARG B 45 18.966 -9.717 10.783 1.00 10.00 H new ATOM 0 HG3 ARG B 45 18.608 -9.275 12.441 1.00 10.00 H new ATOM 0 HD2 ARG B 45 16.990 -7.489 11.528 1.00 10.00 H new ATOM 0 HD3 ARG B 45 17.250 -8.154 9.927 1.00 10.00 H new ATOM 0 HE ARG B 45 15.951 -10.082 10.551 1.00 10.00 H new ATOM 0 HH11 ARG B 45 16.893 -8.105 13.271 1.00 10.00 H new ATOM 0 HH12 ARG B 45 16.124 -9.157 14.464 1.00 10.00 H new ATOM 0 HH21 ARG B 45 15.083 -11.504 12.092 1.00 10.00 H new ATOM 0 HH22 ARG B 45 15.108 -11.063 13.802 1.00 10.00 H new ATOM 1503 N ARG B 46 20.733 -9.439 14.214 1.00 10.00 N ATOM 1504 CA ARG B 46 21.358 -10.720 14.656 1.00 10.00 C ATOM 1505 C ARG B 46 21.371 -11.727 13.503 1.00 10.00 C ATOM 1506 O ARG B 46 22.404 -11.853 12.866 1.00 10.00 O ATOM 1507 CB ARG B 46 20.470 -11.220 15.796 1.00 10.00 C ATOM 1508 CG ARG B 46 20.356 -10.137 16.869 1.00 10.00 C ATOM 1509 CD ARG B 46 20.346 -10.787 18.254 1.00 10.00 C ATOM 1510 NE ARG B 46 19.667 -9.795 19.136 1.00 10.00 N ATOM 1511 CZ ARG B 46 20.084 -9.602 20.360 1.00 10.00 C ATOM 1512 NH1 ARG B 46 21.286 -9.968 20.714 1.00 10.00 N ATOM 1513 NH2 ARG B 46 19.295 -9.036 21.231 1.00 10.00 N ATOM 1514 OXT ARG B 46 20.349 -12.355 13.279 1.00 10.00 O ATOM 0 H ARG B 46 20.058 -9.038 14.865 1.00 10.00 H new ATOM 0 HA ARG B 46 22.392 -10.588 14.973 1.00 10.00 H new ATOM 0 HB2 ARG B 46 19.481 -11.475 15.415 1.00 10.00 H new ATOM 0 HB3 ARG B 46 20.890 -12.129 16.226 1.00 10.00 H new ATOM 0 HG2 ARG B 46 21.191 -9.441 16.788 1.00 10.00 H new ATOM 0 HG3 ARG B 46 19.444 -9.558 16.721 1.00 10.00 H new ATOM 0 HD2 ARG B 46 19.811 -11.736 18.241 1.00 10.00 H new ATOM 0 HD3 ARG B 46 21.358 -10.996 18.600 1.00 10.00 H new ATOM 0 HE ARG B 46 18.872 -9.263 18.782 1.00 10.00 H new ATOM 0 HH11 ARG B 46 21.906 -10.408 20.034 1.00 10.00 H new ATOM 0 HH12 ARG B 46 21.605 -9.814 21.671 1.00 10.00 H new ATOM 0 HH21 ARG B 46 18.357 -8.746 20.956 1.00 10.00 H new ATOM 0 HH22 ARG B 46 19.616 -8.884 22.187 1.00 10.00 H new TER 1528 ARG B 46