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= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : A 1 HIS N :NH3+ -162:sc= -0.196 (180deg=-0.616) USER MOD Single : A 2 MET CE :methyl 159:sc= -0.755 (180deg=-2.39!) USER MOD Single : A 4 HIS : no HD1:sc= -0.0744 X(o=-0.074,f=-0.074) USER MOD Single : A 6 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.07) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot -119:sc= -7.58! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0905 X(o=-0.091,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 37 TYR OH : rot 78:sc= 1.17 USER MOD Single : A 39 THR OG1 : rot 104:sc= -0.678 USER MOD Single : B 1 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.21) USER MOD Single : B 1 HIS N :NH3+ -161:sc= -0.181 (180deg=-0.584) USER MOD Single : B 2 MET CE :methyl 163:sc= -0.756 (180deg=-2.39!) USER MOD Single : B 4 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : B 6 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.069) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 18 TYR OH : rot -119:sc= -7.67! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : B 37 TYR OH : rot 61:sc= 1.13 USER MOD Single : B 39 THR OG1 : rot 93:sc= -0.684 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 11.827 19.032 15.521 1.00 10.00 N ATOM 2 CA HIS A 1 11.968 17.653 14.970 1.00 10.00 C ATOM 3 C HIS A 1 10.596 16.982 14.865 1.00 10.00 C ATOM 4 O HIS A 1 10.416 15.849 15.265 1.00 10.00 O ATOM 5 CB HIS A 1 12.853 16.915 15.976 1.00 10.00 C ATOM 6 CG HIS A 1 14.142 17.669 16.157 1.00 10.00 C ATOM 7 ND1 HIS A 1 15.019 17.897 15.109 1.00 10.00 N ATOM 8 CD2 HIS A 1 14.715 18.253 17.260 1.00 10.00 C ATOM 9 CE1 HIS A 1 16.063 18.591 15.598 1.00 10.00 C ATOM 10 NE2 HIS A 1 15.928 18.836 16.904 1.00 10.00 N ATOM 0 H1 HIS A 1 12.685 19.580 15.309 1.00 10.00 H new ATOM 0 H2 HIS A 1 11.004 19.497 15.087 1.00 10.00 H new ATOM 0 H3 HIS A 1 11.693 18.982 16.551 1.00 10.00 H new ATOM 0 HA HIS A 1 12.399 17.649 13.969 1.00 10.00 H new ATOM 0 HB2 HIS A 1 12.336 16.822 16.931 1.00 10.00 H new ATOM 0 HB3 HIS A 1 13.057 15.904 15.624 1.00 10.00 H new ATOM 0 HD2 HIS A 1 14.289 18.259 18.253 1.00 10.00 H new ATOM 0 HE1 HIS A 1 16.908 18.911 15.006 1.00 10.00 H new ATOM 0 HE2 HIS A 1 16.574 19.341 17.510 1.00 10.00 H new ATOM 20 N MET A 2 9.627 17.673 14.329 1.00 10.00 N ATOM 21 CA MET A 2 8.267 17.073 14.199 1.00 10.00 C ATOM 22 C MET A 2 7.848 17.034 12.727 1.00 10.00 C ATOM 23 O MET A 2 7.401 16.022 12.225 1.00 10.00 O ATOM 24 CB MET A 2 7.348 17.999 14.995 1.00 10.00 C ATOM 25 CG MET A 2 7.482 17.692 16.488 1.00 10.00 C ATOM 26 SD MET A 2 6.492 18.872 17.438 1.00 10.00 S ATOM 27 CE MET A 2 5.035 18.862 16.365 1.00 10.00 C ATOM 0 H MET A 2 9.717 18.626 13.976 1.00 10.00 H new ATOM 0 HA MET A 2 8.229 16.048 14.568 1.00 10.00 H new ATOM 0 HB2 MET A 2 7.608 19.040 14.802 1.00 10.00 H new ATOM 0 HB3 MET A 2 6.314 17.864 14.677 1.00 10.00 H new ATOM 0 HG2 MET A 2 7.149 16.674 16.692 1.00 10.00 H new ATOM 0 HG3 MET A 2 8.528 17.752 16.790 1.00 10.00 H new ATOM 0 HE1 MET A 2 4.168 19.214 16.925 1.00 10.00 H new ATOM 0 HE2 MET A 2 5.207 19.518 15.512 1.00 10.00 H new ATOM 0 HE3 MET A 2 4.851 17.848 16.011 1.00 10.00 H new ATOM 37 N GLY A 3 7.990 18.128 12.031 1.00 10.00 N ATOM 38 CA GLY A 3 7.601 18.152 10.593 1.00 10.00 C ATOM 39 C GLY A 3 6.086 18.321 10.472 1.00 10.00 C ATOM 40 O GLY A 3 5.345 18.043 11.394 1.00 10.00 O ATOM 0 H GLY A 3 8.359 19.006 12.396 1.00 10.00 H new ATOM 0 HA2 GLY A 3 8.110 18.970 10.082 1.00 10.00 H new ATOM 0 HA3 GLY A 3 7.914 17.228 10.106 1.00 10.00 H new ATOM 44 N HIS A 4 5.621 18.776 9.342 1.00 10.00 N ATOM 45 CA HIS A 4 4.153 18.964 9.159 1.00 10.00 C ATOM 46 C HIS A 4 3.691 18.290 7.865 1.00 10.00 C ATOM 47 O HIS A 4 2.519 18.278 7.544 1.00 10.00 O ATOM 48 CB HIS A 4 3.957 20.477 9.073 1.00 10.00 C ATOM 49 CG HIS A 4 4.430 21.121 10.347 1.00 10.00 C ATOM 50 ND1 HIS A 4 5.588 21.880 10.406 1.00 10.00 N ATOM 51 CD2 HIS A 4 3.911 21.129 11.618 1.00 10.00 C ATOM 52 CE1 HIS A 4 5.726 22.311 11.673 1.00 10.00 C ATOM 53 NE2 HIS A 4 4.731 21.881 12.454 1.00 10.00 N ATOM 0 H HIS A 4 6.194 19.026 8.536 1.00 10.00 H new ATOM 0 HA HIS A 4 3.575 18.522 9.971 1.00 10.00 H new ATOM 0 HB2 HIS A 4 4.511 20.878 8.224 1.00 10.00 H new ATOM 0 HB3 HIS A 4 2.905 20.709 8.906 1.00 10.00 H new ATOM 0 HD2 HIS A 4 3.004 20.628 11.923 1.00 10.00 H new ATOM 0 HE1 HIS A 4 6.542 22.929 12.017 1.00 10.00 H new ATOM 0 HE2 HIS A 4 4.600 22.064 13.449 1.00 10.00 H new ATOM 61 N ILE A 5 4.603 17.730 7.118 1.00 10.00 N ATOM 62 CA ILE A 5 4.215 17.059 5.844 1.00 10.00 C ATOM 63 C ILE A 5 4.358 15.541 5.979 1.00 10.00 C ATOM 64 O ILE A 5 5.159 15.048 6.748 1.00 10.00 O ATOM 65 CB ILE A 5 5.192 17.599 4.800 1.00 10.00 C ATOM 66 CG1 ILE A 5 5.108 19.128 4.763 1.00 10.00 C ATOM 67 CG2 ILE A 5 4.830 17.035 3.424 1.00 10.00 C ATOM 68 CD1 ILE A 5 3.822 19.556 4.051 1.00 10.00 C ATOM 0 H ILE A 5 5.600 17.708 7.334 1.00 10.00 H new ATOM 0 HA ILE A 5 3.178 17.256 5.573 1.00 10.00 H new ATOM 0 HB ILE A 5 6.206 17.298 5.062 1.00 10.00 H new ATOM 0 HG12 ILE A 5 5.124 19.528 5.777 1.00 10.00 H new ATOM 0 HG13 ILE A 5 5.975 19.537 4.245 1.00 10.00 H new ATOM 0 HG21 ILE A 5 5.526 17.419 2.679 1.00 10.00 H new ATOM 0 HG22 ILE A 5 4.890 15.947 3.449 1.00 10.00 H new ATOM 0 HG23 ILE A 5 3.816 17.336 3.163 1.00 10.00 H new ATOM 0 HD11 ILE A 5 3.765 20.644 4.026 1.00 10.00 H new ATOM 0 HD12 ILE A 5 3.824 19.169 3.032 1.00 10.00 H new ATOM 0 HD13 ILE A 5 2.960 19.160 4.587 1.00 10.00 H new ATOM 80 N GLN A 6 3.586 14.797 5.235 1.00 10.00 N ATOM 81 CA GLN A 6 3.676 13.311 5.317 1.00 10.00 C ATOM 82 C GLN A 6 3.465 12.695 3.932 1.00 10.00 C ATOM 83 O GLN A 6 2.688 11.777 3.761 1.00 10.00 O ATOM 84 CB GLN A 6 2.550 12.896 6.266 1.00 10.00 C ATOM 85 CG GLN A 6 3.021 11.734 7.142 1.00 10.00 C ATOM 86 CD GLN A 6 2.710 12.039 8.608 1.00 10.00 C ATOM 87 OE1 GLN A 6 2.156 11.214 9.308 1.00 10.00 O ATOM 88 NE2 GLN A 6 3.044 13.198 9.107 1.00 10.00 N ATOM 0 H GLN A 6 2.896 15.154 4.574 1.00 10.00 H new ATOM 0 HA GLN A 6 4.650 12.974 5.671 1.00 10.00 H new ATOM 0 HB2 GLN A 6 2.257 13.740 6.890 1.00 10.00 H new ATOM 0 HB3 GLN A 6 1.670 12.601 5.695 1.00 10.00 H new ATOM 0 HG2 GLN A 6 2.525 10.812 6.839 1.00 10.00 H new ATOM 0 HG3 GLN A 6 4.092 11.578 7.012 1.00 10.00 H new ATOM 0 HE21 GLN A 6 3.509 13.891 8.520 1.00 10.00 H new ATOM 0 HE22 GLN A 6 2.840 13.411 10.084 1.00 10.00 H new ATOM 97 N ILE A 7 4.150 13.196 2.940 1.00 10.00 N ATOM 98 CA ILE A 7 3.986 12.641 1.565 1.00 10.00 C ATOM 99 C ILE A 7 5.349 12.510 0.880 1.00 10.00 C ATOM 100 O ILE A 7 5.855 13.459 0.316 1.00 10.00 O ATOM 101 CB ILE A 7 3.115 13.660 0.831 1.00 10.00 C ATOM 102 CG1 ILE A 7 1.675 13.565 1.342 1.00 10.00 C ATOM 103 CG2 ILE A 7 3.143 13.370 -0.671 1.00 10.00 C ATOM 104 CD1 ILE A 7 1.091 12.197 0.981 1.00 10.00 C ATOM 0 H ILE A 7 4.815 13.965 3.022 1.00 10.00 H new ATOM 0 HA ILE A 7 3.538 11.648 1.571 1.00 10.00 H new ATOM 0 HB ILE A 7 3.500 14.663 1.014 1.00 10.00 H new ATOM 0 HG12 ILE A 7 1.652 13.708 2.422 1.00 10.00 H new ATOM 0 HG13 ILE A 7 1.069 14.358 0.902 1.00 10.00 H new ATOM 0 HG21 ILE A 7 2.522 14.097 -1.194 1.00 10.00 H new ATOM 0 HG22 ILE A 7 4.168 13.440 -1.036 1.00 10.00 H new ATOM 0 HG23 ILE A 7 2.760 12.366 -0.855 1.00 10.00 H new ATOM 0 HD11 ILE A 7 0.066 12.131 1.346 1.00 10.00 H new ATOM 0 HD12 ILE A 7 1.100 12.072 -0.102 1.00 10.00 H new ATOM 0 HD13 ILE A 7 1.691 11.412 1.442 1.00 10.00 H new ATOM 116 N PRO A 8 5.897 11.328 0.954 1.00 10.00 N ATOM 117 CA PRO A 8 7.217 11.057 0.335 1.00 10.00 C ATOM 118 C PRO A 8 7.099 11.013 -1.192 1.00 10.00 C ATOM 119 O PRO A 8 6.508 10.106 -1.744 1.00 10.00 O ATOM 120 CB PRO A 8 7.603 9.696 0.892 1.00 10.00 C ATOM 121 CG PRO A 8 6.310 9.048 1.242 1.00 10.00 C ATOM 122 CD PRO A 8 5.347 10.144 1.615 1.00 10.00 C ATOM 0 HA PRO A 8 7.957 11.826 0.556 1.00 10.00 H new ATOM 0 HB2 PRO A 8 8.153 9.109 0.157 1.00 10.00 H new ATOM 0 HB3 PRO A 8 8.246 9.794 1.767 1.00 10.00 H new ATOM 0 HG2 PRO A 8 5.928 8.471 0.399 1.00 10.00 H new ATOM 0 HG3 PRO A 8 6.441 8.352 2.071 1.00 10.00 H new ATOM 0 HD2 PRO A 8 4.337 9.925 1.269 1.00 10.00 H new ATOM 0 HD3 PRO A 8 5.291 10.278 2.695 1.00 10.00 H new ATOM 130 N PRO A 9 7.666 12.006 -1.821 1.00 10.00 N ATOM 131 CA PRO A 9 7.627 12.098 -3.301 1.00 10.00 C ATOM 132 C PRO A 9 8.610 11.109 -3.935 1.00 10.00 C ATOM 133 O PRO A 9 9.666 10.836 -3.398 1.00 10.00 O ATOM 134 CB PRO A 9 8.056 13.535 -3.580 1.00 10.00 C ATOM 135 CG PRO A 9 8.873 13.938 -2.391 1.00 10.00 C ATOM 136 CD PRO A 9 8.390 13.127 -1.215 1.00 10.00 C ATOM 0 HA PRO A 9 6.648 11.856 -3.715 1.00 10.00 H new ATOM 0 HB2 PRO A 9 8.639 13.601 -4.499 1.00 10.00 H new ATOM 0 HB3 PRO A 9 7.191 14.187 -3.703 1.00 10.00 H new ATOM 0 HG2 PRO A 9 9.932 13.756 -2.574 1.00 10.00 H new ATOM 0 HG3 PRO A 9 8.762 15.004 -2.193 1.00 10.00 H new ATOM 0 HD2 PRO A 9 9.222 12.779 -0.603 1.00 10.00 H new ATOM 0 HD3 PRO A 9 7.741 13.715 -0.566 1.00 10.00 H new ATOM 144 N GLY A 10 8.273 10.576 -5.078 1.00 10.00 N ATOM 145 CA GLY A 10 9.187 9.612 -5.754 1.00 10.00 C ATOM 146 C GLY A 10 9.373 8.371 -4.878 1.00 10.00 C ATOM 147 O GLY A 10 10.216 7.536 -5.142 1.00 10.00 O ATOM 0 H GLY A 10 7.402 10.767 -5.574 1.00 10.00 H new ATOM 0 HA2 GLY A 10 8.777 9.326 -6.723 1.00 10.00 H new ATOM 0 HA3 GLY A 10 10.152 10.083 -5.943 1.00 10.00 H new ATOM 151 N LEU A 11 8.596 8.239 -3.839 1.00 10.00 N ATOM 152 CA LEU A 11 8.734 7.051 -2.953 1.00 10.00 C ATOM 153 C LEU A 11 7.851 5.908 -3.461 1.00 10.00 C ATOM 154 O LEU A 11 8.244 4.758 -3.459 1.00 10.00 O ATOM 155 CB LEU A 11 8.268 7.528 -1.576 1.00 10.00 C ATOM 156 CG LEU A 11 8.365 6.381 -0.563 1.00 10.00 C ATOM 157 CD1 LEU A 11 7.120 5.499 -0.666 1.00 10.00 C ATOM 158 CD2 LEU A 11 9.611 5.539 -0.853 1.00 10.00 C ATOM 0 H LEU A 11 7.871 8.903 -3.566 1.00 10.00 H new ATOM 0 HA LEU A 11 9.755 6.670 -2.925 1.00 10.00 H new ATOM 0 HB2 LEU A 11 8.880 8.368 -1.247 1.00 10.00 H new ATOM 0 HB3 LEU A 11 7.240 7.886 -1.635 1.00 10.00 H new ATOM 0 HG LEU A 11 8.435 6.796 0.443 1.00 10.00 H new ATOM 0 HD11 LEU A 11 7.191 4.684 0.055 1.00 10.00 H new ATOM 0 HD12 LEU A 11 6.233 6.096 -0.453 1.00 10.00 H new ATOM 0 HD13 LEU A 11 7.048 5.088 -1.673 1.00 10.00 H new ATOM 0 HD21 LEU A 11 9.676 4.725 -0.131 1.00 10.00 H new ATOM 0 HD22 LEU A 11 9.545 5.127 -1.860 1.00 10.00 H new ATOM 0 HD23 LEU A 11 10.500 6.165 -0.775 1.00 10.00 H new ATOM 170 N THR A 12 6.660 6.215 -3.898 1.00 10.00 N ATOM 171 CA THR A 12 5.755 5.146 -4.407 1.00 10.00 C ATOM 172 C THR A 12 6.410 4.417 -5.580 1.00 10.00 C ATOM 173 O THR A 12 6.809 3.274 -5.473 1.00 10.00 O ATOM 174 CB THR A 12 4.493 5.878 -4.867 1.00 10.00 C ATOM 175 OG1 THR A 12 3.961 6.627 -3.783 1.00 10.00 O ATOM 176 CG2 THR A 12 3.456 4.860 -5.344 1.00 10.00 C ATOM 0 H THR A 12 6.275 7.159 -3.924 1.00 10.00 H new ATOM 0 HA THR A 12 5.535 4.395 -3.648 1.00 10.00 H new ATOM 0 HB THR A 12 4.741 6.551 -5.687 1.00 10.00 H new ATOM 0 HG1 THR A 12 3.153 7.098 -4.076 1.00 10.00 H new ATOM 0 HG21 THR A 12 2.557 5.382 -5.672 1.00 10.00 H new ATOM 0 HG22 THR A 12 3.865 4.286 -6.175 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.205 4.185 -4.526 1.00 10.00 H new ATOM 184 N GLU A 13 6.521 5.072 -6.699 1.00 10.00 N ATOM 185 CA GLU A 13 7.149 4.428 -7.888 1.00 10.00 C ATOM 186 C GLU A 13 8.390 3.636 -7.468 1.00 10.00 C ATOM 187 O GLU A 13 8.456 2.434 -7.633 1.00 10.00 O ATOM 188 CB GLU A 13 7.538 5.587 -8.806 1.00 10.00 C ATOM 189 CG GLU A 13 7.375 5.161 -10.266 1.00 10.00 C ATOM 190 CD GLU A 13 5.979 5.546 -10.759 1.00 10.00 C ATOM 191 OE1 GLU A 13 5.824 6.663 -11.225 1.00 10.00 O ATOM 192 OE2 GLU A 13 5.088 4.718 -10.661 1.00 10.00 O ATOM 0 H GLU A 13 6.203 6.030 -6.844 1.00 10.00 H new ATOM 0 HA GLU A 13 6.477 3.725 -8.380 1.00 10.00 H new ATOM 0 HB2 GLU A 13 6.912 6.455 -8.598 1.00 10.00 H new ATOM 0 HB3 GLU A 13 8.569 5.884 -8.616 1.00 10.00 H new ATOM 0 HG2 GLU A 13 8.135 5.641 -10.883 1.00 10.00 H new ATOM 0 HG3 GLU A 13 7.521 4.085 -10.360 1.00 10.00 H new ATOM 199 N LEU A 14 9.375 4.299 -6.926 1.00 10.00 N ATOM 200 CA LEU A 14 10.608 3.580 -6.498 1.00 10.00 C ATOM 201 C LEU A 14 10.236 2.282 -5.777 1.00 10.00 C ATOM 202 O LEU A 14 10.568 1.199 -6.216 1.00 10.00 O ATOM 203 CB LEU A 14 11.319 4.540 -5.542 1.00 10.00 C ATOM 204 CG LEU A 14 12.359 5.360 -6.310 1.00 10.00 C ATOM 205 CD1 LEU A 14 13.204 6.166 -5.322 1.00 10.00 C ATOM 206 CD2 LEU A 14 13.268 4.419 -7.105 1.00 10.00 C ATOM 0 H LEU A 14 9.379 5.306 -6.761 1.00 10.00 H new ATOM 0 HA LEU A 14 11.241 3.306 -7.342 1.00 10.00 H new ATOM 0 HB2 LEU A 14 10.593 5.204 -5.072 1.00 10.00 H new ATOM 0 HB3 LEU A 14 11.803 3.979 -4.742 1.00 10.00 H new ATOM 0 HG LEU A 14 11.850 6.039 -6.994 1.00 10.00 H new ATOM 0 HD11 LEU A 14 13.945 6.750 -5.868 1.00 10.00 H new ATOM 0 HD12 LEU A 14 12.559 6.837 -4.755 1.00 10.00 H new ATOM 0 HD13 LEU A 14 13.711 5.486 -4.638 1.00 10.00 H new ATOM 0 HD21 LEU A 14 14.008 5.004 -7.651 1.00 10.00 H new ATOM 0 HD22 LEU A 14 13.776 3.739 -6.421 1.00 10.00 H new ATOM 0 HD23 LEU A 14 12.668 3.843 -7.810 1.00 10.00 H new ATOM 218 N LEU A 15 9.546 2.381 -4.673 1.00 10.00 N ATOM 219 CA LEU A 15 9.154 1.150 -3.929 1.00 10.00 C ATOM 220 C LEU A 15 8.450 0.170 -4.870 1.00 10.00 C ATOM 221 O LEU A 15 8.792 -0.994 -4.937 1.00 10.00 O ATOM 222 CB LEU A 15 8.194 1.631 -2.840 1.00 10.00 C ATOM 223 CG LEU A 15 8.979 2.363 -1.751 1.00 10.00 C ATOM 224 CD1 LEU A 15 8.071 2.607 -0.543 1.00 10.00 C ATOM 225 CD2 LEU A 15 10.174 1.508 -1.323 1.00 10.00 C ATOM 0 H LEU A 15 9.238 3.259 -4.255 1.00 10.00 H new ATOM 0 HA LEU A 15 10.014 0.629 -3.510 1.00 10.00 H new ATOM 0 HB2 LEU A 15 7.444 2.295 -3.270 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.661 0.783 -2.410 1.00 10.00 H new ATOM 0 HG LEU A 15 9.333 3.318 -2.139 1.00 10.00 H new ATOM 0 HD11 LEU A 15 8.631 3.129 0.233 1.00 10.00 H new ATOM 0 HD12 LEU A 15 7.218 3.214 -0.846 1.00 10.00 H new ATOM 0 HD13 LEU A 15 7.717 1.652 -0.155 1.00 10.00 H new ATOM 0 HD21 LEU A 15 10.735 2.029 -0.547 1.00 10.00 H new ATOM 0 HD22 LEU A 15 9.818 0.553 -0.935 1.00 10.00 H new ATOM 0 HD23 LEU A 15 10.822 1.332 -2.182 1.00 10.00 H new ATOM 237 N GLN A 16 7.471 0.631 -5.599 1.00 10.00 N ATOM 238 CA GLN A 16 6.750 -0.277 -6.536 1.00 10.00 C ATOM 239 C GLN A 16 7.749 -1.178 -7.264 1.00 10.00 C ATOM 240 O GLN A 16 7.713 -2.386 -7.140 1.00 10.00 O ATOM 241 CB GLN A 16 6.046 0.651 -7.526 1.00 10.00 C ATOM 242 CG GLN A 16 4.586 0.221 -7.677 1.00 10.00 C ATOM 243 CD GLN A 16 4.032 0.749 -9.001 1.00 10.00 C ATOM 244 OE1 GLN A 16 3.504 -0.003 -9.796 1.00 10.00 O ATOM 245 NE2 GLN A 16 4.132 2.021 -9.275 1.00 10.00 N ATOM 0 H GLN A 16 7.139 1.596 -5.587 1.00 10.00 H new ATOM 0 HA GLN A 16 6.046 -0.930 -6.021 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.098 1.682 -7.175 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.548 0.617 -8.493 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.511 -0.866 -7.647 1.00 10.00 H new ATOM 0 HG3 GLN A 16 3.995 0.604 -6.845 1.00 10.00 H new ATOM 0 HE21 GLN A 16 4.575 2.653 -8.608 1.00 10.00 H new ATOM 0 HE22 GLN A 16 3.767 2.383 -10.156 1.00 10.00 H new ATOM 254 N GLY A 17 8.643 -0.601 -8.019 1.00 10.00 N ATOM 255 CA GLY A 17 9.645 -1.428 -8.747 1.00 10.00 C ATOM 256 C GLY A 17 10.191 -2.497 -7.802 1.00 10.00 C ATOM 257 O GLY A 17 10.236 -3.666 -8.130 1.00 10.00 O ATOM 0 H GLY A 17 8.723 0.406 -8.163 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.186 -1.895 -9.618 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.457 -0.800 -9.113 1.00 10.00 H new ATOM 261 N TYR A 18 10.601 -2.104 -6.627 1.00 10.00 N ATOM 262 CA TYR A 18 11.139 -3.094 -5.654 1.00 10.00 C ATOM 263 C TYR A 18 10.293 -4.369 -5.673 1.00 10.00 C ATOM 264 O TYR A 18 10.769 -5.436 -6.008 1.00 10.00 O ATOM 265 CB TYR A 18 11.035 -2.403 -4.295 1.00 10.00 C ATOM 266 CG TYR A 18 12.234 -2.772 -3.460 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.511 -2.747 -4.030 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.069 -3.145 -2.121 1.00 10.00 C ATOM 269 CE1 TYR A 18 14.627 -3.095 -3.260 1.00 10.00 C ATOM 270 CE2 TYR A 18 13.185 -3.492 -1.350 1.00 10.00 C ATOM 271 CZ TYR A 18 14.464 -3.468 -1.921 1.00 10.00 C ATOM 272 OH TYR A 18 15.563 -3.811 -1.163 1.00 10.00 O ATOM 0 H TYR A 18 10.586 -1.138 -6.299 1.00 10.00 H new ATOM 0 HA TYR A 18 12.162 -3.390 -5.887 1.00 10.00 H new ATOM 0 HB2 TYR A 18 10.986 -1.322 -4.426 1.00 10.00 H new ATOM 0 HB3 TYR A 18 10.118 -2.704 -3.789 1.00 10.00 H new ATOM 0 HD1 TYR A 18 13.636 -2.459 -5.063 1.00 10.00 H new ATOM 0 HD2 TYR A 18 11.082 -3.165 -1.683 1.00 10.00 H new ATOM 0 HE1 TYR A 18 15.614 -3.076 -3.699 1.00 10.00 H new ATOM 0 HE2 TYR A 18 13.060 -3.778 -0.316 1.00 10.00 H new ATOM 0 HH TYR A 18 15.472 -4.737 -0.855 1.00 10.00 H new ATOM 282 N THR A 19 9.043 -4.266 -5.316 1.00 10.00 N ATOM 283 CA THR A 19 8.167 -5.472 -5.316 1.00 10.00 C ATOM 284 C THR A 19 8.283 -6.202 -6.657 1.00 10.00 C ATOM 285 O THR A 19 8.238 -7.413 -6.722 1.00 10.00 O ATOM 286 CB THR A 19 6.750 -4.925 -5.101 1.00 10.00 C ATOM 287 OG1 THR A 19 6.269 -5.355 -3.835 1.00 10.00 O ATOM 288 CG2 THR A 19 5.812 -5.431 -6.200 1.00 10.00 C ATOM 0 H THR A 19 8.590 -3.400 -5.024 1.00 10.00 H new ATOM 0 HA THR A 19 8.440 -6.193 -4.546 1.00 10.00 H new ATOM 0 HB THR A 19 6.780 -3.836 -5.137 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.364 -5.006 -3.693 1.00 10.00 H new ATOM 0 HG21 THR A 19 4.810 -5.035 -6.034 1.00 10.00 H new ATOM 0 HG22 THR A 19 6.177 -5.099 -7.172 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.780 -6.520 -6.178 1.00 10.00 H new ATOM 296 N VAL A 20 8.433 -5.472 -7.727 1.00 10.00 N ATOM 297 CA VAL A 20 8.551 -6.123 -9.062 1.00 10.00 C ATOM 298 C VAL A 20 9.895 -6.846 -9.190 1.00 10.00 C ATOM 299 O VAL A 20 10.037 -7.775 -9.959 1.00 10.00 O ATOM 300 CB VAL A 20 8.466 -4.976 -10.068 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.468 -5.541 -11.490 1.00 10.00 C ATOM 302 CG2 VAL A 20 7.176 -4.188 -9.834 1.00 10.00 C ATOM 0 H VAL A 20 8.479 -4.453 -7.735 1.00 10.00 H new ATOM 0 HA VAL A 20 7.775 -6.871 -9.223 1.00 10.00 H new ATOM 0 HB VAL A 20 9.324 -4.316 -9.939 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.407 -4.722 -12.207 1.00 10.00 H new ATOM 0 HG12 VAL A 20 9.387 -6.102 -11.657 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.611 -6.202 -11.620 1.00 10.00 H new ATOM 0 HG21 VAL A 20 7.114 -3.369 -10.551 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.318 -4.848 -9.962 1.00 10.00 H new ATOM 0 HG23 VAL A 20 7.175 -3.784 -8.822 1.00 10.00 H new ATOM 312 N GLU A 21 10.882 -6.429 -8.445 1.00 10.00 N ATOM 313 CA GLU A 21 12.214 -7.100 -8.537 1.00 10.00 C ATOM 314 C GLU A 21 12.298 -8.238 -7.524 1.00 10.00 C ATOM 315 O GLU A 21 12.414 -9.396 -7.874 1.00 10.00 O ATOM 316 CB GLU A 21 13.256 -6.027 -8.198 1.00 10.00 C ATOM 317 CG GLU A 21 12.644 -4.640 -8.357 1.00 10.00 C ATOM 318 CD GLU A 21 13.744 -3.629 -8.686 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.691 -4.009 -9.354 1.00 10.00 O ATOM 320 OE2 GLU A 21 13.620 -2.490 -8.264 1.00 10.00 O ATOM 0 H GLU A 21 10.827 -5.658 -7.780 1.00 10.00 H new ATOM 0 HA GLU A 21 12.378 -7.522 -9.528 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.611 -6.162 -7.176 1.00 10.00 H new ATOM 0 HB3 GLU A 21 14.122 -6.129 -8.852 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.896 -4.650 -9.150 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.132 -4.350 -7.440 1.00 10.00 H new ATOM 327 N VAL A 22 12.246 -7.907 -6.266 1.00 10.00 N ATOM 328 CA VAL A 22 12.329 -8.950 -5.207 1.00 10.00 C ATOM 329 C VAL A 22 11.418 -10.135 -5.542 1.00 10.00 C ATOM 330 O VAL A 22 11.665 -11.251 -5.131 1.00 10.00 O ATOM 331 CB VAL A 22 11.856 -8.248 -3.934 1.00 10.00 C ATOM 332 CG1 VAL A 22 12.190 -9.112 -2.722 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.565 -6.898 -3.800 1.00 10.00 C ATOM 0 H VAL A 22 12.149 -6.951 -5.923 1.00 10.00 H new ATOM 0 HA VAL A 22 13.336 -9.355 -5.105 1.00 10.00 H new ATOM 0 HB VAL A 22 10.779 -8.092 -3.988 1.00 10.00 H new ATOM 0 HG11 VAL A 22 11.853 -8.611 -1.814 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.689 -10.076 -2.813 1.00 10.00 H new ATOM 0 HG13 VAL A 22 13.268 -9.267 -2.672 1.00 10.00 H new ATOM 0 HG21 VAL A 22 12.227 -6.398 -2.892 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.642 -7.056 -3.748 1.00 10.00 H new ATOM 0 HG23 VAL A 22 12.331 -6.277 -4.665 1.00 10.00 H new ATOM 343 N LEU A 23A 10.367 -9.909 -6.283 1.00 10.00 N ATOM 344 CA LEU A 23A 9.451 -11.035 -6.632 1.00 10.00 C ATOM 345 C LEU A 23A 9.917 -11.729 -7.916 1.00 10.00 C ATOM 346 O LEU A 23A 9.890 -12.939 -8.021 1.00 10.00 O ATOM 347 CB LEU A 23A 8.081 -10.390 -6.838 1.00 10.00 C ATOM 348 CG LEU A 23A 7.279 -10.471 -5.538 1.00 10.00 C ATOM 349 CD1 LEU A 23A 7.745 -9.374 -4.578 1.00 10.00 C ATOM 350 CD2 LEU A 23A 5.791 -10.280 -5.844 1.00 10.00 C ATOM 0 H LEU A 23A 10.103 -8.999 -6.660 1.00 10.00 H new ATOM 0 HA LEU A 23A 9.429 -11.797 -5.853 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 8.199 -9.350 -7.141 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 7.545 -10.897 -7.641 1.00 10.00 H new ATOM 0 HG LEU A 23A 7.435 -11.446 -5.077 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 7.172 -9.433 -3.652 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 8.804 -9.508 -4.359 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 7.591 -8.398 -5.038 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 5.219 -10.338 -4.918 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 5.637 -9.305 -6.306 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 5.457 -11.061 -6.526 1.00 10.00 H new ATOM 362 N ARG A 24 10.343 -10.976 -8.895 1.00 10.00 N ATOM 363 CA ARG A 24 10.805 -11.607 -10.167 1.00 10.00 C ATOM 364 C ARG A 24 12.145 -12.320 -9.958 1.00 10.00 C ATOM 365 O ARG A 24 12.708 -12.877 -10.879 1.00 10.00 O ATOM 366 CB ARG A 24 10.964 -10.449 -11.151 1.00 10.00 C ATOM 367 CG ARG A 24 10.065 -10.685 -12.366 1.00 10.00 C ATOM 368 CD ARG A 24 8.975 -9.613 -12.410 1.00 10.00 C ATOM 369 NE ARG A 24 8.587 -9.520 -13.844 1.00 10.00 N ATOM 370 CZ ARG A 24 7.407 -9.072 -14.175 1.00 10.00 C ATOM 371 NH1 ARG A 24 6.591 -8.634 -13.254 1.00 10.00 N ATOM 372 NH2 ARG A 24 7.041 -9.061 -15.427 1.00 10.00 N ATOM 0 H ARG A 24 10.391 -9.957 -8.870 1.00 10.00 H new ATOM 0 HA ARG A 24 10.102 -12.358 -10.528 1.00 10.00 H new ATOM 0 HB2 ARG A 24 10.701 -9.508 -10.668 1.00 10.00 H new ATOM 0 HB3 ARG A 24 12.004 -10.365 -11.466 1.00 10.00 H new ATOM 0 HG2 ARG A 24 10.657 -10.655 -13.281 1.00 10.00 H new ATOM 0 HG3 ARG A 24 9.614 -11.676 -12.311 1.00 10.00 H new ATOM 0 HD2 ARG A 24 8.124 -9.889 -11.788 1.00 10.00 H new ATOM 0 HD3 ARG A 24 9.345 -8.658 -12.038 1.00 10.00 H new ATOM 0 HE ARG A 24 9.245 -9.807 -14.569 1.00 10.00 H new ATOM 0 HH11 ARG A 24 6.876 -8.642 -12.275 1.00 10.00 H new ATOM 0 HH12 ARG A 24 5.669 -8.284 -13.514 1.00 10.00 H new ATOM 0 HH21 ARG A 24 7.677 -9.403 -16.147 1.00 10.00 H new ATOM 0 HH22 ARG A 24 6.119 -8.711 -15.686 1.00 10.00 H new ATOM 386 N GLN A 25 12.663 -12.308 -8.759 1.00 10.00 N ATOM 387 CA GLN A 25 13.964 -12.988 -8.510 1.00 10.00 C ATOM 388 C GLN A 25 14.132 -13.302 -7.020 1.00 10.00 C ATOM 389 O GLN A 25 15.232 -13.505 -6.548 1.00 10.00 O ATOM 390 CB GLN A 25 15.027 -11.990 -8.971 1.00 10.00 C ATOM 391 CG GLN A 25 15.207 -10.903 -7.909 1.00 10.00 C ATOM 392 CD GLN A 25 16.294 -9.925 -8.358 1.00 10.00 C ATOM 393 OE1 GLN A 25 16.007 -8.925 -8.985 1.00 10.00 O ATOM 394 NE2 GLN A 25 17.540 -10.172 -8.061 1.00 10.00 N ATOM 0 H GLN A 25 12.243 -11.859 -7.945 1.00 10.00 H new ATOM 0 HA GLN A 25 14.036 -13.938 -9.039 1.00 10.00 H new ATOM 0 HB2 GLN A 25 15.973 -12.504 -9.143 1.00 10.00 H new ATOM 0 HB3 GLN A 25 14.731 -11.541 -9.919 1.00 10.00 H new ATOM 0 HG2 GLN A 25 14.268 -10.373 -7.754 1.00 10.00 H new ATOM 0 HG3 GLN A 25 15.480 -11.354 -6.955 1.00 10.00 H new ATOM 0 HE21 GLN A 25 17.782 -11.011 -7.535 1.00 10.00 H new ATOM 0 HE22 GLN A 25 18.272 -9.526 -8.355 1.00 10.00 H new ATOM 403 N GLN A 26 13.049 -13.342 -6.284 1.00 10.00 N ATOM 404 CA GLN A 26 13.126 -13.643 -4.817 1.00 10.00 C ATOM 405 C GLN A 26 14.576 -13.860 -4.374 1.00 10.00 C ATOM 406 O GLN A 26 15.073 -14.968 -4.392 1.00 10.00 O ATOM 407 CB GLN A 26 12.316 -14.927 -4.637 1.00 10.00 C ATOM 408 CG GLN A 26 10.822 -14.598 -4.669 1.00 10.00 C ATOM 409 CD GLN A 26 10.061 -15.741 -5.343 1.00 10.00 C ATOM 410 OE1 GLN A 26 9.382 -15.536 -6.330 1.00 10.00 O ATOM 411 NE2 GLN A 26 10.144 -16.946 -4.848 1.00 10.00 N ATOM 0 H GLN A 26 12.106 -13.178 -6.638 1.00 10.00 H new ATOM 0 HA GLN A 26 12.741 -12.820 -4.215 1.00 10.00 H new ATOM 0 HB2 GLN A 26 12.560 -15.637 -5.427 1.00 10.00 H new ATOM 0 HB3 GLN A 26 12.574 -15.403 -3.691 1.00 10.00 H new ATOM 0 HG2 GLN A 26 10.450 -14.448 -3.655 1.00 10.00 H new ATOM 0 HG3 GLN A 26 10.656 -13.667 -5.211 1.00 10.00 H new ATOM 0 HE21 GLN A 26 10.714 -17.119 -4.020 1.00 10.00 H new ATOM 0 HE22 GLN A 26 9.639 -17.715 -5.290 1.00 10.00 H new ATOM 420 N PRO A 27 15.208 -12.783 -3.993 1.00 10.00 N ATOM 421 CA PRO A 27 16.620 -12.842 -3.544 1.00 10.00 C ATOM 422 C PRO A 27 16.732 -13.578 -2.206 1.00 10.00 C ATOM 423 O PRO A 27 15.763 -13.713 -1.486 1.00 10.00 O ATOM 424 CB PRO A 27 17.010 -11.373 -3.395 1.00 10.00 C ATOM 425 CG PRO A 27 15.718 -10.658 -3.174 1.00 10.00 C ATOM 426 CD PRO A 27 14.673 -11.420 -3.943 1.00 10.00 C ATOM 0 HA PRO A 27 17.266 -13.382 -4.237 1.00 10.00 H new ATOM 0 HB2 PRO A 27 17.692 -11.227 -2.557 1.00 10.00 H new ATOM 0 HB3 PRO A 27 17.518 -11.006 -4.287 1.00 10.00 H new ATOM 0 HG2 PRO A 27 15.470 -10.623 -2.113 1.00 10.00 H new ATOM 0 HG3 PRO A 27 15.781 -9.627 -3.521 1.00 10.00 H new ATOM 0 HD2 PRO A 27 13.705 -11.387 -3.444 1.00 10.00 H new ATOM 0 HD3 PRO A 27 14.531 -11.008 -4.942 1.00 10.00 H new ATOM 434 N PRO A 28 17.923 -14.031 -1.922 1.00 10.00 N ATOM 435 CA PRO A 28 18.183 -14.767 -0.660 1.00 10.00 C ATOM 436 C PRO A 28 18.090 -13.824 0.544 1.00 10.00 C ATOM 437 O PRO A 28 18.120 -14.250 1.681 1.00 10.00 O ATOM 438 CB PRO A 28 19.607 -15.288 -0.838 1.00 10.00 C ATOM 439 CG PRO A 28 20.232 -14.356 -1.822 1.00 10.00 C ATOM 440 CD PRO A 28 19.130 -13.904 -2.741 1.00 10.00 C ATOM 0 HA PRO A 28 17.463 -15.563 -0.473 1.00 10.00 H new ATOM 0 HB2 PRO A 28 20.150 -15.288 0.107 1.00 10.00 H new ATOM 0 HB3 PRO A 28 19.610 -16.314 -1.207 1.00 10.00 H new ATOM 0 HG2 PRO A 28 20.688 -13.505 -1.315 1.00 10.00 H new ATOM 0 HG3 PRO A 28 21.023 -14.856 -2.381 1.00 10.00 H new ATOM 0 HD2 PRO A 28 19.282 -12.877 -3.074 1.00 10.00 H new ATOM 0 HD3 PRO A 28 19.074 -14.524 -3.635 1.00 10.00 H new ATOM 448 N ASP A 29 17.978 -12.547 0.303 1.00 10.00 N ATOM 449 CA ASP A 29 17.883 -11.581 1.435 1.00 10.00 C ATOM 450 C ASP A 29 17.472 -10.199 0.920 1.00 10.00 C ATOM 451 O ASP A 29 17.927 -9.752 -0.115 1.00 10.00 O ATOM 452 CB ASP A 29 19.288 -11.536 2.036 1.00 10.00 C ATOM 453 CG ASP A 29 19.354 -12.462 3.251 1.00 10.00 C ATOM 454 OD1 ASP A 29 18.372 -12.530 3.972 1.00 10.00 O ATOM 455 OD2 ASP A 29 20.383 -13.089 3.438 1.00 10.00 O ATOM 0 H ASP A 29 17.948 -12.130 -0.628 1.00 10.00 H new ATOM 0 HA ASP A 29 17.135 -11.879 2.170 1.00 10.00 H new ATOM 0 HB2 ASP A 29 20.023 -11.842 1.292 1.00 10.00 H new ATOM 0 HB3 ASP A 29 19.537 -10.516 2.329 1.00 10.00 H new ATOM 460 N LEU A 30 16.615 -9.519 1.633 1.00 10.00 N ATOM 461 CA LEU A 30 16.177 -8.166 1.183 1.00 10.00 C ATOM 462 C LEU A 30 17.201 -7.112 1.606 1.00 10.00 C ATOM 463 O LEU A 30 17.809 -6.463 0.781 1.00 10.00 O ATOM 464 CB LEU A 30 14.839 -7.926 1.882 1.00 10.00 C ATOM 465 CG LEU A 30 13.919 -7.125 0.960 1.00 10.00 C ATOM 466 CD1 LEU A 30 12.862 -8.053 0.360 1.00 10.00 C ATOM 467 CD2 LEU A 30 13.227 -6.020 1.762 1.00 10.00 C ATOM 0 H LEU A 30 16.199 -9.841 2.507 1.00 10.00 H new ATOM 0 HA LEU A 30 16.085 -8.102 0.099 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.375 -8.878 2.139 1.00 10.00 H new ATOM 0 HB3 LEU A 30 14.996 -7.386 2.816 1.00 10.00 H new ATOM 0 HG LEU A 30 14.509 -6.679 0.159 1.00 10.00 H new ATOM 0 HD11 LEU A 30 12.207 -7.481 -0.297 1.00 10.00 H new ATOM 0 HD12 LEU A 30 13.352 -8.841 -0.212 1.00 10.00 H new ATOM 0 HD13 LEU A 30 12.273 -8.499 1.161 1.00 10.00 H new ATOM 0 HD21 LEU A 30 12.571 -5.449 1.104 1.00 10.00 H new ATOM 0 HD22 LEU A 30 12.638 -6.466 2.563 1.00 10.00 H new ATOM 0 HD23 LEU A 30 13.978 -5.356 2.190 1.00 10.00 H new ATOM 479 N VAL A 31 17.397 -6.939 2.887 1.00 10.00 N ATOM 480 CA VAL A 31 18.388 -5.926 3.363 1.00 10.00 C ATOM 481 C VAL A 31 19.567 -5.850 2.395 1.00 10.00 C ATOM 482 O VAL A 31 19.810 -4.840 1.766 1.00 10.00 O ATOM 483 CB VAL A 31 18.865 -6.440 4.721 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.661 -5.343 5.428 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.658 -6.824 5.580 1.00 10.00 C ATOM 0 H VAL A 31 16.915 -7.454 3.624 1.00 10.00 H new ATOM 0 HA VAL A 31 17.953 -4.929 3.429 1.00 10.00 H new ATOM 0 HB VAL A 31 19.497 -7.315 4.574 1.00 10.00 H new ATOM 0 HG11 VAL A 31 20.002 -5.708 6.397 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.523 -5.069 4.819 1.00 10.00 H new ATOM 0 HG13 VAL A 31 19.026 -4.469 5.572 1.00 10.00 H new ATOM 0 HG21 VAL A 31 18.002 -7.190 6.547 1.00 10.00 H new ATOM 0 HG22 VAL A 31 17.023 -5.950 5.727 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.088 -7.606 5.078 1.00 10.00 H new ATOM 495 N ASP A 32 20.298 -6.921 2.273 1.00 10.00 N ATOM 496 CA ASP A 32 21.463 -6.933 1.349 1.00 10.00 C ATOM 497 C ASP A 32 21.006 -6.625 -0.080 1.00 10.00 C ATOM 498 O ASP A 32 21.646 -5.884 -0.800 1.00 10.00 O ATOM 499 CB ASP A 32 22.012 -8.354 1.450 1.00 10.00 C ATOM 500 CG ASP A 32 23.540 -8.316 1.413 1.00 10.00 C ATOM 501 OD1 ASP A 32 24.082 -7.247 1.184 1.00 10.00 O ATOM 502 OD2 ASP A 32 24.144 -9.357 1.614 1.00 10.00 O ATOM 0 H ASP A 32 20.137 -7.793 2.777 1.00 10.00 H new ATOM 0 HA ASP A 32 22.213 -6.184 1.604 1.00 10.00 H new ATOM 0 HB2 ASP A 32 21.672 -8.821 2.374 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.633 -8.961 0.628 1.00 10.00 H new ATOM 507 N PHE A 33 19.899 -7.182 -0.493 1.00 10.00 N ATOM 508 CA PHE A 33 19.401 -6.911 -1.872 1.00 10.00 C ATOM 509 C PHE A 33 19.033 -5.433 -2.006 1.00 10.00 C ATOM 510 O PHE A 33 19.206 -4.830 -3.047 1.00 10.00 O ATOM 511 CB PHE A 33 18.160 -7.790 -2.030 1.00 10.00 C ATOM 512 CG PHE A 33 17.473 -7.463 -3.334 1.00 10.00 C ATOM 513 CD1 PHE A 33 17.930 -8.032 -4.529 1.00 10.00 C ATOM 514 CD2 PHE A 33 16.377 -6.591 -3.347 1.00 10.00 C ATOM 515 CE1 PHE A 33 17.292 -7.729 -5.738 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.738 -6.289 -4.556 1.00 10.00 C ATOM 517 CZ PHE A 33 16.196 -6.857 -5.752 1.00 10.00 C ATOM 0 H PHE A 33 19.320 -7.811 0.063 1.00 10.00 H new ATOM 0 HA PHE A 33 20.148 -7.129 -2.635 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.442 -8.843 -2.009 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.477 -7.627 -1.196 1.00 10.00 H new ATOM 0 HD1 PHE A 33 18.775 -8.705 -4.518 1.00 10.00 H new ATOM 0 HD2 PHE A 33 16.025 -6.152 -2.425 1.00 10.00 H new ATOM 0 HE1 PHE A 33 17.645 -8.168 -6.660 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.892 -5.618 -4.566 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.704 -6.623 -6.684 1.00 10.00 H new ATOM 527 N ALA A 34 18.534 -4.844 -0.955 1.00 10.00 N ATOM 528 CA ALA A 34 18.162 -3.403 -1.012 1.00 10.00 C ATOM 529 C ALA A 34 19.422 -2.550 -1.152 1.00 10.00 C ATOM 530 O ALA A 34 19.447 -1.572 -1.872 1.00 10.00 O ATOM 531 CB ALA A 34 17.472 -3.119 0.323 1.00 10.00 C ATOM 0 H ALA A 34 18.368 -5.299 -0.058 1.00 10.00 H new ATOM 0 HA ALA A 34 17.517 -3.172 -1.860 1.00 10.00 H new ATOM 0 HB1 ALA A 34 17.166 -2.073 0.359 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.594 -3.757 0.422 1.00 10.00 H new ATOM 0 HB3 ALA A 34 18.163 -3.324 1.141 1.00 10.00 H new ATOM 537 N VAL A 35 20.469 -2.917 -0.468 1.00 10.00 N ATOM 538 CA VAL A 35 21.727 -2.143 -0.550 1.00 10.00 C ATOM 539 C VAL A 35 22.383 -2.347 -1.918 1.00 10.00 C ATOM 540 O VAL A 35 22.872 -1.418 -2.527 1.00 10.00 O ATOM 541 CB VAL A 35 22.581 -2.735 0.566 1.00 10.00 C ATOM 542 CG1 VAL A 35 24.050 -2.446 0.295 1.00 10.00 C ATOM 543 CG2 VAL A 35 22.171 -2.111 1.898 1.00 10.00 C ATOM 0 H VAL A 35 20.502 -3.729 0.149 1.00 10.00 H new ATOM 0 HA VAL A 35 21.585 -1.068 -0.441 1.00 10.00 H new ATOM 0 HB VAL A 35 22.431 -3.814 0.607 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.658 -2.870 1.094 1.00 10.00 H new ATOM 0 HG12 VAL A 35 24.339 -2.892 -0.657 1.00 10.00 H new ATOM 0 HG13 VAL A 35 24.207 -1.368 0.253 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.779 -2.531 2.699 1.00 10.00 H new ATOM 0 HG22 VAL A 35 22.321 -1.032 1.856 1.00 10.00 H new ATOM 0 HG23 VAL A 35 21.119 -2.323 2.091 1.00 10.00 H new ATOM 553 N GLU A 36 22.395 -3.556 -2.406 1.00 10.00 N ATOM 554 CA GLU A 36 23.021 -3.817 -3.733 1.00 10.00 C ATOM 555 C GLU A 36 22.190 -3.183 -4.853 1.00 10.00 C ATOM 556 O GLU A 36 22.690 -2.415 -5.650 1.00 10.00 O ATOM 557 CB GLU A 36 23.032 -5.339 -3.869 1.00 10.00 C ATOM 558 CG GLU A 36 23.732 -5.952 -2.654 1.00 10.00 C ATOM 559 CD GLU A 36 25.238 -6.015 -2.911 1.00 10.00 C ATOM 560 OE1 GLU A 36 25.655 -6.880 -3.664 1.00 10.00 O ATOM 561 OE2 GLU A 36 25.950 -5.197 -2.351 1.00 10.00 O ATOM 0 H GLU A 36 21.999 -4.374 -1.944 1.00 10.00 H new ATOM 0 HA GLU A 36 24.021 -3.391 -3.807 1.00 10.00 H new ATOM 0 HB2 GLU A 36 22.012 -5.716 -3.944 1.00 10.00 H new ATOM 0 HB3 GLU A 36 23.547 -5.630 -4.785 1.00 10.00 H new ATOM 0 HG2 GLU A 36 23.529 -5.356 -1.765 1.00 10.00 H new ATOM 0 HG3 GLU A 36 23.343 -6.952 -2.463 1.00 10.00 H new ATOM 568 N TYR A 37 20.927 -3.503 -4.924 1.00 10.00 N ATOM 569 CA TYR A 37 20.071 -2.922 -6.000 1.00 10.00 C ATOM 570 C TYR A 37 20.121 -1.392 -5.964 1.00 10.00 C ATOM 571 O TYR A 37 20.331 -0.747 -6.972 1.00 10.00 O ATOM 572 CB TYR A 37 18.659 -3.419 -5.693 1.00 10.00 C ATOM 573 CG TYR A 37 17.658 -2.608 -6.479 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.426 -2.900 -7.829 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.964 -1.562 -5.859 1.00 10.00 C ATOM 576 CE1 TYR A 37 16.499 -2.145 -8.559 1.00 10.00 C ATOM 577 CE2 TYR A 37 16.037 -0.807 -6.589 1.00 10.00 C ATOM 578 CZ TYR A 37 15.805 -1.099 -7.939 1.00 10.00 C ATOM 579 OH TYR A 37 14.892 -0.355 -8.659 1.00 10.00 O ATOM 0 H TYR A 37 20.450 -4.140 -4.286 1.00 10.00 H new ATOM 0 HA TYR A 37 20.405 -3.221 -6.993 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.570 -4.475 -5.950 1.00 10.00 H new ATOM 0 HB3 TYR A 37 18.455 -3.332 -4.626 1.00 10.00 H new ATOM 0 HD1 TYR A 37 17.962 -3.707 -8.307 1.00 10.00 H new ATOM 0 HD2 TYR A 37 17.143 -1.337 -4.818 1.00 10.00 H new ATOM 0 HE1 TYR A 37 16.320 -2.370 -9.600 1.00 10.00 H new ATOM 0 HE2 TYR A 37 15.501 -0.000 -6.111 1.00 10.00 H new ATOM 0 HH TYR A 37 14.060 -0.863 -8.756 1.00 10.00 H new ATOM 589 N PHE A 38 19.921 -0.805 -4.816 1.00 10.00 N ATOM 590 CA PHE A 38 19.950 0.684 -4.729 1.00 10.00 C ATOM 591 C PHE A 38 21.378 1.207 -4.919 1.00 10.00 C ATOM 592 O PHE A 38 21.622 2.079 -5.729 1.00 10.00 O ATOM 593 CB PHE A 38 19.430 1.011 -3.329 1.00 10.00 C ATOM 594 CG PHE A 38 17.922 0.916 -3.321 1.00 10.00 C ATOM 595 CD1 PHE A 38 17.175 1.571 -4.308 1.00 10.00 C ATOM 596 CD2 PHE A 38 17.271 0.173 -2.328 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.778 1.484 -4.303 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.873 0.086 -2.323 1.00 10.00 C ATOM 599 CZ PHE A 38 15.126 0.741 -3.310 1.00 10.00 C ATOM 0 H PHE A 38 19.739 -1.289 -3.937 1.00 10.00 H new ATOM 0 HA PHE A 38 19.345 1.153 -5.505 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.853 0.319 -2.601 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.744 2.013 -3.037 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.677 2.144 -5.074 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.847 -0.332 -1.567 1.00 10.00 H new ATOM 0 HE1 PHE A 38 15.203 1.990 -5.064 1.00 10.00 H new ATOM 0 HE2 PHE A 38 15.371 -0.487 -1.557 1.00 10.00 H new ATOM 0 HZ PHE A 38 14.048 0.673 -3.306 1.00 10.00 H new ATOM 609 N THR A 39 22.326 0.685 -4.186 1.00 10.00 N ATOM 610 CA THR A 39 23.730 1.167 -4.346 1.00 10.00 C ATOM 611 C THR A 39 24.072 1.279 -5.834 1.00 10.00 C ATOM 612 O THR A 39 24.772 2.178 -6.256 1.00 10.00 O ATOM 613 CB THR A 39 24.607 0.106 -3.673 1.00 10.00 C ATOM 614 OG1 THR A 39 24.455 0.185 -2.263 1.00 10.00 O ATOM 615 CG2 THR A 39 26.074 0.344 -4.038 1.00 10.00 C ATOM 0 H THR A 39 22.191 -0.048 -3.489 1.00 10.00 H new ATOM 0 HA THR A 39 23.881 2.151 -3.902 1.00 10.00 H new ATOM 0 HB THR A 39 24.302 -0.882 -4.017 1.00 10.00 H new ATOM 0 HG1 THR A 39 23.886 -0.550 -1.954 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.696 -0.412 -3.558 1.00 10.00 H new ATOM 0 HG22 THR A 39 26.195 0.280 -5.119 1.00 10.00 H new ATOM 0 HG23 THR A 39 26.378 1.334 -3.697 1.00 10.00 H new ATOM 623 N ARG A 40 23.581 0.370 -6.632 1.00 10.00 N ATOM 624 CA ARG A 40 23.875 0.420 -8.092 1.00 10.00 C ATOM 625 C ARG A 40 22.972 1.447 -8.781 1.00 10.00 C ATOM 626 O ARG A 40 23.392 2.154 -9.675 1.00 10.00 O ATOM 627 CB ARG A 40 23.576 -0.990 -8.605 1.00 10.00 C ATOM 628 CG ARG A 40 24.720 -1.927 -8.214 1.00 10.00 C ATOM 629 CD ARG A 40 24.168 -3.333 -7.968 1.00 10.00 C ATOM 630 NE ARG A 40 25.271 -4.254 -8.362 1.00 10.00 N ATOM 631 CZ ARG A 40 25.182 -5.529 -8.098 1.00 10.00 C ATOM 632 NH1 ARG A 40 24.429 -5.941 -7.114 1.00 10.00 N ATOM 633 NH2 ARG A 40 25.846 -6.392 -8.817 1.00 10.00 N ATOM 0 H ARG A 40 22.989 -0.406 -6.335 1.00 10.00 H new ATOM 0 HA ARG A 40 24.904 0.718 -8.296 1.00 10.00 H new ATOM 0 HB2 ARG A 40 22.637 -1.350 -8.185 1.00 10.00 H new ATOM 0 HB3 ARG A 40 23.456 -0.977 -9.688 1.00 10.00 H new ATOM 0 HG2 ARG A 40 25.470 -1.953 -9.005 1.00 10.00 H new ATOM 0 HG3 ARG A 40 25.216 -1.558 -7.316 1.00 10.00 H new ATOM 0 HD2 ARG A 40 23.892 -3.472 -6.923 1.00 10.00 H new ATOM 0 HD3 ARG A 40 23.271 -3.514 -8.561 1.00 10.00 H new ATOM 0 HE ARG A 40 26.096 -3.888 -8.838 1.00 10.00 H new ATOM 0 HH11 ARG A 40 23.910 -5.266 -6.552 1.00 10.00 H new ATOM 0 HH12 ARG A 40 24.359 -6.937 -6.908 1.00 10.00 H new ATOM 0 HH21 ARG A 40 26.435 -6.070 -9.585 1.00 10.00 H new ATOM 0 HH22 ARG A 40 25.776 -7.388 -8.611 1.00 10.00 H new ATOM 647 N LEU A 41 21.734 1.538 -8.372 1.00 10.00 N ATOM 648 CA LEU A 41 20.812 2.523 -9.008 1.00 10.00 C ATOM 649 C LEU A 41 21.498 3.886 -9.120 1.00 10.00 C ATOM 650 O LEU A 41 21.269 4.632 -10.051 1.00 10.00 O ATOM 651 CB LEU A 41 19.606 2.606 -8.071 1.00 10.00 C ATOM 652 CG LEU A 41 18.657 3.702 -8.559 1.00 10.00 C ATOM 653 CD1 LEU A 41 18.281 3.441 -10.019 1.00 10.00 C ATOM 654 CD2 LEU A 41 17.391 3.697 -7.699 1.00 10.00 C ATOM 0 H LEU A 41 21.323 0.975 -7.628 1.00 10.00 H new ATOM 0 HA LEU A 41 20.522 2.226 -10.016 1.00 10.00 H new ATOM 0 HB2 LEU A 41 19.088 1.648 -8.042 1.00 10.00 H new ATOM 0 HB3 LEU A 41 19.936 2.821 -7.055 1.00 10.00 H new ATOM 0 HG LEU A 41 19.150 4.671 -8.479 1.00 10.00 H new ATOM 0 HD11 LEU A 41 17.605 4.222 -10.366 1.00 10.00 H new ATOM 0 HD12 LEU A 41 19.182 3.442 -10.633 1.00 10.00 H new ATOM 0 HD13 LEU A 41 17.788 2.472 -10.100 1.00 10.00 H new ATOM 0 HD21 LEU A 41 16.713 4.477 -8.045 1.00 10.00 H new ATOM 0 HD22 LEU A 41 16.900 2.727 -7.780 1.00 10.00 H new ATOM 0 HD23 LEU A 41 17.657 3.883 -6.658 1.00 10.00 H new ATOM 666 N ARG A 42 22.338 4.216 -8.177 1.00 10.00 N ATOM 667 CA ARG A 42 23.039 5.530 -8.231 1.00 10.00 C ATOM 668 C ARG A 42 23.872 5.629 -9.510 1.00 10.00 C ATOM 669 O ARG A 42 24.042 6.693 -10.072 1.00 10.00 O ATOM 670 CB ARG A 42 23.946 5.547 -7.000 1.00 10.00 C ATOM 671 CG ARG A 42 23.434 6.588 -6.004 1.00 10.00 C ATOM 672 CD ARG A 42 22.969 5.885 -4.727 1.00 10.00 C ATOM 673 NE ARG A 42 24.160 5.884 -3.834 1.00 10.00 N ATOM 674 CZ ARG A 42 25.129 5.034 -4.039 1.00 10.00 C ATOM 675 NH1 ARG A 42 25.971 5.228 -5.016 1.00 10.00 N ATOM 676 NH2 ARG A 42 25.254 3.989 -3.267 1.00 10.00 N ATOM 0 H ARG A 42 22.569 3.633 -7.372 1.00 10.00 H new ATOM 0 HA ARG A 42 22.344 6.370 -8.236 1.00 10.00 H new ATOM 0 HB2 ARG A 42 23.964 4.561 -6.535 1.00 10.00 H new ATOM 0 HB3 ARG A 42 24.970 5.781 -7.293 1.00 10.00 H new ATOM 0 HG2 ARG A 42 24.223 7.304 -5.772 1.00 10.00 H new ATOM 0 HG3 ARG A 42 22.611 7.152 -6.442 1.00 10.00 H new ATOM 0 HD2 ARG A 42 22.132 6.412 -4.269 1.00 10.00 H new ATOM 0 HD3 ARG A 42 22.631 4.870 -4.936 1.00 10.00 H new ATOM 0 HE ARG A 42 24.219 6.548 -3.062 1.00 10.00 H new ATOM 0 HH11 ARG A 42 25.872 6.044 -5.620 1.00 10.00 H new ATOM 0 HH12 ARG A 42 26.728 4.564 -5.176 1.00 10.00 H new ATOM 0 HH21 ARG A 42 24.595 3.837 -2.504 1.00 10.00 H new ATOM 0 HH22 ARG A 42 26.011 3.324 -3.427 1.00 10.00 H new ATOM 690 N GLU A 43 24.395 4.527 -9.973 1.00 10.00 N ATOM 691 CA GLU A 43 25.218 4.557 -11.216 1.00 10.00 C ATOM 692 C GLU A 43 24.412 4.015 -12.399 1.00 10.00 C ATOM 693 O GLU A 43 24.942 3.786 -13.468 1.00 10.00 O ATOM 694 CB GLU A 43 26.413 3.649 -10.921 1.00 10.00 C ATOM 695 CG GLU A 43 27.425 4.399 -10.053 1.00 10.00 C ATOM 696 CD GLU A 43 27.594 3.669 -8.719 1.00 10.00 C ATOM 697 OE1 GLU A 43 27.979 2.512 -8.744 1.00 10.00 O ATOM 698 OE2 GLU A 43 27.336 4.281 -7.696 1.00 10.00 O ATOM 0 H GLU A 43 24.288 3.607 -9.545 1.00 10.00 H new ATOM 0 HA GLU A 43 25.528 5.568 -11.481 1.00 10.00 H new ATOM 0 HB2 GLU A 43 26.079 2.746 -10.410 1.00 10.00 H new ATOM 0 HB3 GLU A 43 26.882 3.333 -11.853 1.00 10.00 H new ATOM 0 HG2 GLU A 43 28.384 4.464 -10.568 1.00 10.00 H new ATOM 0 HG3 GLU A 43 27.086 5.420 -9.880 1.00 10.00 H new ATOM 705 N ALA A 44 23.136 3.807 -12.217 1.00 10.00 N ATOM 706 CA ALA A 44 22.296 3.277 -13.333 1.00 10.00 C ATOM 707 C ALA A 44 22.709 3.905 -14.657 1.00 10.00 C ATOM 708 O ALA A 44 23.236 3.252 -15.536 1.00 10.00 O ATOM 709 CB ALA A 44 20.871 3.714 -13.011 1.00 10.00 C ATOM 0 H ALA A 44 22.637 3.981 -11.344 1.00 10.00 H new ATOM 0 HA ALA A 44 22.400 2.196 -13.424 1.00 10.00 H new ATOM 0 HB1 ALA A 44 20.197 3.359 -13.790 1.00 10.00 H new ATOM 0 HB2 ALA A 44 20.570 3.294 -12.051 1.00 10.00 H new ATOM 0 HB3 ALA A 44 20.827 4.802 -12.961 1.00 10.00 H new ATOM 715 N ARG A 45 22.440 5.172 -14.803 1.00 10.00 N ATOM 716 CA ARG A 45 22.774 5.874 -16.068 1.00 10.00 C ATOM 717 C ARG A 45 24.043 5.294 -16.695 1.00 10.00 C ATOM 718 O ARG A 45 24.160 5.186 -17.900 1.00 10.00 O ATOM 719 CB ARG A 45 22.989 7.333 -15.667 1.00 10.00 C ATOM 720 CG ARG A 45 23.188 8.186 -16.921 1.00 10.00 C ATOM 721 CD ARG A 45 22.094 9.253 -16.989 1.00 10.00 C ATOM 722 NE ARG A 45 22.824 10.552 -17.030 1.00 10.00 N ATOM 723 CZ ARG A 45 22.728 11.395 -16.036 1.00 10.00 C ATOM 724 NH1 ARG A 45 21.722 11.324 -15.206 1.00 10.00 N ATOM 725 NH2 ARG A 45 23.638 12.316 -15.874 1.00 10.00 N ATOM 0 H ARG A 45 21.999 5.755 -14.092 1.00 10.00 H new ATOM 0 HA ARG A 45 21.986 5.765 -16.813 1.00 10.00 H new ATOM 0 HB2 ARG A 45 22.131 7.695 -15.101 1.00 10.00 H new ATOM 0 HB3 ARG A 45 23.859 7.417 -15.016 1.00 10.00 H new ATOM 0 HG2 ARG A 45 24.170 8.658 -16.901 1.00 10.00 H new ATOM 0 HG3 ARG A 45 23.154 7.557 -17.811 1.00 10.00 H new ATOM 0 HD2 ARG A 45 21.470 9.123 -17.873 1.00 10.00 H new ATOM 0 HD3 ARG A 45 21.435 9.198 -16.123 1.00 10.00 H new ATOM 0 HE ARG A 45 23.401 10.784 -17.838 1.00 10.00 H new ATOM 0 HH11 ARG A 45 21.006 10.608 -15.332 1.00 10.00 H new ATOM 0 HH12 ARG A 45 21.652 11.984 -14.432 1.00 10.00 H new ATOM 0 HH21 ARG A 45 24.423 12.377 -16.523 1.00 10.00 H new ATOM 0 HH22 ARG A 45 23.565 12.975 -15.099 1.00 10.00 H new ATOM 739 N ARG A 46 24.993 4.921 -15.887 1.00 10.00 N ATOM 740 CA ARG A 46 26.257 4.347 -16.433 1.00 10.00 C ATOM 741 C ARG A 46 25.941 3.232 -17.433 1.00 10.00 C ATOM 742 O ARG A 46 26.045 3.484 -18.623 1.00 10.00 O ATOM 743 CB ARG A 46 26.993 3.786 -15.217 1.00 10.00 C ATOM 744 CG ARG A 46 28.317 3.162 -15.662 1.00 10.00 C ATOM 745 CD ARG A 46 28.974 2.457 -14.473 1.00 10.00 C ATOM 746 NE ARG A 46 30.314 2.037 -14.970 1.00 10.00 N ATOM 747 CZ ARG A 46 30.741 0.823 -14.753 1.00 10.00 C ATOM 748 NH1 ARG A 46 30.633 0.296 -13.564 1.00 10.00 N ATOM 749 NH2 ARG A 46 31.275 0.136 -15.725 1.00 10.00 N ATOM 750 OXT ARG A 46 25.601 2.147 -16.993 1.00 10.00 O ATOM 0 H ARG A 46 24.951 4.988 -14.870 1.00 10.00 H new ATOM 0 HA ARG A 46 26.854 5.089 -16.964 1.00 10.00 H new ATOM 0 HB2 ARG A 46 27.178 4.580 -14.493 1.00 10.00 H new ATOM 0 HB3 ARG A 46 26.376 3.038 -14.719 1.00 10.00 H new ATOM 0 HG2 ARG A 46 28.143 2.451 -16.469 1.00 10.00 H new ATOM 0 HG3 ARG A 46 28.981 3.933 -16.054 1.00 10.00 H new ATOM 0 HD2 ARG A 46 29.062 3.125 -13.617 1.00 10.00 H new ATOM 0 HD3 ARG A 46 28.386 1.599 -14.148 1.00 10.00 H new ATOM 0 HE ARG A 46 30.898 2.699 -15.480 1.00 10.00 H new ATOM 0 HH11 ARG A 46 30.215 0.833 -12.804 1.00 10.00 H new ATOM 0 HH12 ARG A 46 30.967 -0.653 -13.394 1.00 10.00 H new ATOM 0 HH21 ARG A 46 31.359 0.548 -16.654 1.00 10.00 H new ATOM 0 HH22 ARG A 46 31.609 -0.813 -15.555 1.00 10.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 11.827 -18.976 -15.591 1.00 10.00 N ATOM 766 CA HIS B 1 11.973 -17.598 -15.039 1.00 10.00 C ATOM 767 C HIS B 1 10.603 -16.923 -14.932 1.00 10.00 C ATOM 768 O HIS B 1 10.425 -15.790 -15.333 1.00 10.00 O ATOM 769 CB HIS B 1 12.857 -16.860 -16.046 1.00 10.00 C ATOM 770 CG HIS B 1 14.153 -17.605 -16.215 1.00 10.00 C ATOM 771 ND1 HIS B 1 15.031 -17.810 -15.162 1.00 10.00 N ATOM 772 CD2 HIS B 1 14.734 -18.198 -17.308 1.00 10.00 C ATOM 773 CE1 HIS B 1 16.082 -18.501 -15.640 1.00 10.00 C ATOM 774 NE2 HIS B 1 15.952 -18.763 -16.943 1.00 10.00 N ATOM 0 H1 HIS B 1 12.677 -19.532 -15.366 1.00 10.00 H new ATOM 0 H2 HIS B 1 10.993 -19.432 -15.169 1.00 10.00 H new ATOM 0 H3 HIS B 1 11.709 -18.926 -16.623 1.00 10.00 H new ATOM 0 HA HIS B 1 12.406 -17.597 -14.039 1.00 10.00 H new ATOM 0 HB2 HIS B 1 12.345 -16.778 -17.005 1.00 10.00 H new ATOM 0 HB3 HIS B 1 13.051 -15.845 -15.700 1.00 10.00 H new ATOM 0 HD2 HIS B 1 14.310 -18.222 -18.301 1.00 10.00 H new ATOM 0 HE1 HIS B 1 16.928 -18.807 -15.042 1.00 10.00 H new ATOM 0 HE2 HIS B 1 16.605 -19.268 -17.542 1.00 10.00 H new ATOM 784 N MET B 2 9.634 -17.610 -14.391 1.00 10.00 N ATOM 785 CA MET B 2 8.277 -17.008 -14.257 1.00 10.00 C ATOM 786 C MET B 2 7.858 -16.977 -12.784 1.00 10.00 C ATOM 787 O MET B 2 7.418 -15.965 -12.275 1.00 10.00 O ATOM 788 CB MET B 2 7.355 -17.925 -15.060 1.00 10.00 C ATOM 789 CG MET B 2 7.483 -17.602 -16.550 1.00 10.00 C ATOM 790 SD MET B 2 6.496 -18.777 -17.509 1.00 10.00 S ATOM 791 CE MET B 2 5.045 -18.789 -16.428 1.00 10.00 C ATOM 0 H MET B 2 9.723 -18.562 -14.036 1.00 10.00 H new ATOM 0 HA MET B 2 8.242 -15.980 -14.619 1.00 10.00 H new ATOM 0 HB2 MET B 2 7.615 -18.968 -14.880 1.00 10.00 H new ATOM 0 HB3 MET B 2 6.323 -17.794 -14.736 1.00 10.00 H new ATOM 0 HG2 MET B 2 7.144 -16.584 -16.743 1.00 10.00 H new ATOM 0 HG3 MET B 2 8.528 -17.654 -16.856 1.00 10.00 H new ATOM 0 HE1 MET B 2 4.194 -19.206 -16.966 1.00 10.00 H new ATOM 0 HE2 MET B 2 5.252 -19.398 -15.548 1.00 10.00 H new ATOM 0 HE3 MET B 2 4.814 -17.770 -16.118 1.00 10.00 H new ATOM 801 N GLY B 3 7.994 -18.077 -12.096 1.00 10.00 N ATOM 802 CA GLY B 3 7.607 -18.110 -10.656 1.00 10.00 C ATOM 803 C GLY B 3 6.091 -18.280 -10.536 1.00 10.00 C ATOM 804 O GLY B 3 5.351 -18.011 -11.461 1.00 10.00 O ATOM 0 H GLY B 3 8.356 -18.955 -12.468 1.00 10.00 H new ATOM 0 HA2 GLY B 3 8.116 -18.931 -10.151 1.00 10.00 H new ATOM 0 HA3 GLY B 3 7.920 -17.189 -10.164 1.00 10.00 H new ATOM 808 N HIS B 4 5.623 -18.724 -9.402 1.00 10.00 N ATOM 809 CA HIS B 4 4.154 -18.911 -9.222 1.00 10.00 C ATOM 810 C HIS B 4 3.691 -18.245 -7.923 1.00 10.00 C ATOM 811 O HIS B 4 2.522 -18.251 -7.593 1.00 10.00 O ATOM 812 CB HIS B 4 3.952 -20.425 -9.149 1.00 10.00 C ATOM 813 CG HIS B 4 4.442 -21.059 -10.422 1.00 10.00 C ATOM 814 ND1 HIS B 4 5.593 -21.830 -10.469 1.00 10.00 N ATOM 815 CD2 HIS B 4 3.946 -21.047 -11.702 1.00 10.00 C ATOM 816 CE1 HIS B 4 5.750 -22.247 -11.738 1.00 10.00 C ATOM 817 NE2 HIS B 4 4.774 -21.798 -12.532 1.00 10.00 N ATOM 0 H HIS B 4 6.194 -18.966 -8.592 1.00 10.00 H new ATOM 0 HA HIS B 4 3.579 -18.462 -10.032 1.00 10.00 H new ATOM 0 HB2 HIS B 4 4.492 -20.834 -8.295 1.00 10.00 H new ATOM 0 HB3 HIS B 4 2.897 -20.655 -8.998 1.00 10.00 H new ATOM 0 HD2 HIS B 4 3.050 -20.533 -12.017 1.00 10.00 H new ATOM 0 HE1 HIS B 4 6.566 -22.869 -12.074 1.00 10.00 H new ATOM 0 HE2 HIS B 4 4.660 -21.969 -13.531 1.00 10.00 H new ATOM 825 N ILE B 5 4.601 -17.673 -7.183 1.00 10.00 N ATOM 826 CA ILE B 5 4.214 -17.010 -5.904 1.00 10.00 C ATOM 827 C ILE B 5 4.358 -15.491 -6.028 1.00 10.00 C ATOM 828 O ILE B 5 5.167 -14.993 -6.786 1.00 10.00 O ATOM 829 CB ILE B 5 5.194 -17.555 -4.865 1.00 10.00 C ATOM 830 CG1 ILE B 5 5.109 -19.084 -4.837 1.00 10.00 C ATOM 831 CG2 ILE B 5 4.840 -16.995 -3.486 1.00 10.00 C ATOM 832 CD1 ILE B 5 3.826 -19.517 -4.125 1.00 10.00 C ATOM 0 H ILE B 5 5.595 -17.636 -7.408 1.00 10.00 H new ATOM 0 HA ILE B 5 3.177 -17.209 -5.634 1.00 10.00 H new ATOM 0 HB ILE B 5 6.208 -17.254 -5.127 1.00 10.00 H new ATOM 0 HG12 ILE B 5 5.122 -19.477 -5.854 1.00 10.00 H new ATOM 0 HG13 ILE B 5 5.978 -19.497 -4.324 1.00 10.00 H new ATOM 0 HG21 ILE B 5 5.539 -17.384 -2.745 1.00 10.00 H new ATOM 0 HG22 ILE B 5 4.902 -15.907 -3.508 1.00 10.00 H new ATOM 0 HG23 ILE B 5 3.826 -17.295 -3.221 1.00 10.00 H new ATOM 0 HD11 ILE B 5 3.769 -20.605 -4.107 1.00 10.00 H new ATOM 0 HD12 ILE B 5 3.831 -19.137 -3.103 1.00 10.00 H new ATOM 0 HD13 ILE B 5 2.962 -19.117 -4.656 1.00 10.00 H new ATOM 844 N GLN B 6 3.580 -14.751 -5.287 1.00 10.00 N ATOM 845 CA GLN B 6 3.673 -13.265 -5.359 1.00 10.00 C ATOM 846 C GLN B 6 3.460 -12.656 -3.971 1.00 10.00 C ATOM 847 O GLN B 6 2.669 -11.751 -3.793 1.00 10.00 O ATOM 848 CB GLN B 6 2.550 -12.845 -6.308 1.00 10.00 C ATOM 849 CG GLN B 6 3.022 -11.677 -7.176 1.00 10.00 C ATOM 850 CD GLN B 6 2.716 -11.978 -8.644 1.00 10.00 C ATOM 851 OE1 GLN B 6 2.156 -11.155 -9.341 1.00 10.00 O ATOM 852 NE2 GLN B 6 3.061 -13.132 -9.147 1.00 10.00 N ATOM 0 H GLN B 6 2.884 -15.111 -4.634 1.00 10.00 H new ATOM 0 HA GLN B 6 4.649 -12.927 -5.708 1.00 10.00 H new ATOM 0 HB2 GLN B 6 2.259 -13.685 -6.938 1.00 10.00 H new ATOM 0 HB3 GLN B 6 1.668 -12.554 -5.738 1.00 10.00 H new ATOM 0 HG2 GLN B 6 2.523 -10.758 -6.870 1.00 10.00 H new ATOM 0 HG3 GLN B 6 4.092 -11.519 -7.041 1.00 10.00 H new ATOM 0 HE21 GLN B 6 3.531 -13.823 -8.562 1.00 10.00 H new ATOM 0 HE22 GLN B 6 2.861 -13.343 -10.125 1.00 10.00 H new ATOM 861 N ILE B 7 4.158 -13.150 -2.984 1.00 10.00 N ATOM 862 CA ILE B 7 3.994 -12.602 -1.606 1.00 10.00 C ATOM 863 C ILE B 7 5.357 -12.475 -0.920 1.00 10.00 C ATOM 864 O ILE B 7 5.862 -13.428 -0.360 1.00 10.00 O ATOM 865 CB ILE B 7 3.122 -13.625 -0.877 1.00 10.00 C ATOM 866 CG1 ILE B 7 1.685 -13.530 -1.396 1.00 10.00 C ATOM 867 CG2 ILE B 7 3.143 -13.336 0.625 1.00 10.00 C ATOM 868 CD1 ILE B 7 1.101 -12.162 -1.038 1.00 10.00 C ATOM 0 H ILE B 7 4.834 -13.909 -3.072 1.00 10.00 H new ATOM 0 HA ILE B 7 3.546 -11.608 -1.607 1.00 10.00 H new ATOM 0 HB ILE B 7 3.509 -14.628 -1.058 1.00 10.00 H new ATOM 0 HG12 ILE B 7 1.667 -13.673 -2.476 1.00 10.00 H new ATOM 0 HG13 ILE B 7 1.077 -14.322 -0.960 1.00 10.00 H new ATOM 0 HG21 ILE B 7 2.521 -14.065 1.145 1.00 10.00 H new ATOM 0 HG22 ILE B 7 4.166 -13.403 0.994 1.00 10.00 H new ATOM 0 HG23 ILE B 7 2.756 -12.334 0.808 1.00 10.00 H new ATOM 0 HD11 ILE B 7 0.078 -12.095 -1.408 1.00 10.00 H new ATOM 0 HD12 ILE B 7 1.104 -12.037 0.045 1.00 10.00 H new ATOM 0 HD13 ILE B 7 1.704 -11.378 -1.496 1.00 10.00 H new ATOM 880 N PRO B 8 5.907 -11.294 -0.988 1.00 10.00 N ATOM 881 CA PRO B 8 7.226 -11.028 -0.366 1.00 10.00 C ATOM 882 C PRO B 8 7.106 -10.992 1.160 1.00 10.00 C ATOM 883 O PRO B 8 6.516 -10.086 1.716 1.00 10.00 O ATOM 884 CB PRO B 8 7.616 -9.666 -0.916 1.00 10.00 C ATOM 885 CG PRO B 8 6.325 -9.014 -1.267 1.00 10.00 C ATOM 886 CD PRO B 8 5.359 -10.106 -1.643 1.00 10.00 C ATOM 0 HA PRO B 8 7.965 -11.797 -0.590 1.00 10.00 H new ATOM 0 HB2 PRO B 8 8.165 -9.083 -0.177 1.00 10.00 H new ATOM 0 HB3 PRO B 8 8.261 -9.762 -1.789 1.00 10.00 H new ATOM 0 HG2 PRO B 8 5.944 -8.438 -0.424 1.00 10.00 H new ATOM 0 HG3 PRO B 8 6.459 -8.318 -2.095 1.00 10.00 H new ATOM 0 HD2 PRO B 8 4.350 -9.886 -1.294 1.00 10.00 H new ATOM 0 HD3 PRO B 8 5.301 -10.235 -2.724 1.00 10.00 H new ATOM 894 N PRO B 9 7.671 -11.988 1.786 1.00 10.00 N ATOM 895 CA PRO B 9 7.629 -12.085 3.266 1.00 10.00 C ATOM 896 C PRO B 9 8.614 -11.100 3.903 1.00 10.00 C ATOM 897 O PRO B 9 9.670 -10.826 3.368 1.00 10.00 O ATOM 898 CB PRO B 9 8.056 -13.523 3.540 1.00 10.00 C ATOM 899 CG PRO B 9 8.873 -13.924 2.353 1.00 10.00 C ATOM 900 CD PRO B 9 8.394 -13.109 1.177 1.00 10.00 C ATOM 0 HA PRO B 9 6.650 -11.844 3.680 1.00 10.00 H new ATOM 0 HB2 PRO B 9 8.637 -13.592 4.459 1.00 10.00 H new ATOM 0 HB3 PRO B 9 7.190 -14.174 3.660 1.00 10.00 H new ATOM 0 HG2 PRO B 9 9.932 -13.744 2.538 1.00 10.00 H new ATOM 0 HG3 PRO B 9 8.761 -14.989 2.152 1.00 10.00 H new ATOM 0 HD2 PRO B 9 9.228 -12.761 0.568 1.00 10.00 H new ATOM 0 HD3 PRO B 9 7.745 -13.694 0.525 1.00 10.00 H new ATOM 908 N GLY B 10 8.277 -10.571 5.049 1.00 10.00 N ATOM 909 CA GLY B 10 9.192 -9.610 5.730 1.00 10.00 C ATOM 910 C GLY B 10 9.386 -8.368 4.860 1.00 10.00 C ATOM 911 O GLY B 10 10.233 -7.538 5.128 1.00 10.00 O ATOM 0 H GLY B 10 7.406 -10.763 5.544 1.00 10.00 H new ATOM 0 HA2 GLY B 10 8.779 -9.325 6.698 1.00 10.00 H new ATOM 0 HA3 GLY B 10 10.155 -10.084 5.921 1.00 10.00 H new ATOM 915 N LEU B 11 8.610 -8.229 3.821 1.00 10.00 N ATOM 916 CA LEU B 11 8.754 -7.039 2.939 1.00 10.00 C ATOM 917 C LEU B 11 7.876 -5.894 3.449 1.00 10.00 C ATOM 918 O LEU B 11 8.276 -4.746 3.452 1.00 10.00 O ATOM 919 CB LEU B 11 8.288 -7.510 1.561 1.00 10.00 C ATOM 920 CG LEU B 11 8.388 -6.361 0.552 1.00 10.00 C ATOM 921 CD1 LEU B 11 7.145 -5.476 0.659 1.00 10.00 C ATOM 922 CD2 LEU B 11 9.636 -5.523 0.845 1.00 10.00 C ATOM 0 H LEU B 11 7.882 -8.889 3.545 1.00 10.00 H new ATOM 0 HA LEU B 11 9.776 -6.662 2.913 1.00 10.00 H new ATOM 0 HB2 LEU B 11 8.898 -8.350 1.229 1.00 10.00 H new ATOM 0 HB3 LEU B 11 7.259 -7.866 1.618 1.00 10.00 H new ATOM 0 HG LEU B 11 8.457 -6.773 -0.455 1.00 10.00 H new ATOM 0 HD11 LEU B 11 7.217 -4.659 -0.059 1.00 10.00 H new ATOM 0 HD12 LEU B 11 6.256 -6.070 0.445 1.00 10.00 H new ATOM 0 HD13 LEU B 11 7.075 -5.068 1.667 1.00 10.00 H new ATOM 0 HD21 LEU B 11 9.704 -4.707 0.125 1.00 10.00 H new ATOM 0 HD22 LEU B 11 9.571 -5.113 1.853 1.00 10.00 H new ATOM 0 HD23 LEU B 11 10.523 -6.151 0.765 1.00 10.00 H new ATOM 934 N THR B 12 6.683 -6.196 3.883 1.00 10.00 N ATOM 935 CA THR B 12 5.783 -5.124 4.395 1.00 10.00 C ATOM 936 C THR B 12 6.440 -4.403 5.571 1.00 10.00 C ATOM 937 O THR B 12 6.846 -3.262 5.469 1.00 10.00 O ATOM 938 CB THR B 12 4.518 -5.852 4.850 1.00 10.00 C ATOM 939 OG1 THR B 12 3.984 -6.596 3.763 1.00 10.00 O ATOM 940 CG2 THR B 12 3.484 -4.831 5.328 1.00 10.00 C ATOM 0 H THR B 12 6.293 -7.138 3.905 1.00 10.00 H new ATOM 0 HA THR B 12 5.567 -4.369 3.639 1.00 10.00 H new ATOM 0 HB THR B 12 4.763 -6.529 5.669 1.00 10.00 H new ATOM 0 HG1 THR B 12 3.174 -7.065 4.054 1.00 10.00 H new ATOM 0 HG21 THR B 12 2.582 -5.351 5.652 1.00 10.00 H new ATOM 0 HG22 THR B 12 3.894 -4.261 6.162 1.00 10.00 H new ATOM 0 HG23 THR B 12 3.238 -4.153 4.511 1.00 10.00 H new ATOM 948 N GLU B 13 6.547 -5.064 6.687 1.00 10.00 N ATOM 949 CA GLU B 13 7.178 -4.427 7.879 1.00 10.00 C ATOM 950 C GLU B 13 8.420 -3.635 7.461 1.00 10.00 C ATOM 951 O GLU B 13 8.488 -2.434 7.631 1.00 10.00 O ATOM 952 CB GLU B 13 7.564 -5.591 8.792 1.00 10.00 C ATOM 953 CG GLU B 13 7.408 -5.168 10.253 1.00 10.00 C ATOM 954 CD GLU B 13 6.008 -5.537 10.746 1.00 10.00 C ATOM 955 OE1 GLU B 13 5.839 -6.654 11.206 1.00 10.00 O ATOM 956 OE2 GLU B 13 5.128 -4.697 10.654 1.00 10.00 O ATOM 0 H GLU B 13 6.224 -6.021 6.828 1.00 10.00 H new ATOM 0 HA GLU B 13 6.508 -3.725 8.376 1.00 10.00 H new ATOM 0 HB2 GLU B 13 6.933 -6.455 8.583 1.00 10.00 H new ATOM 0 HB3 GLU B 13 8.593 -5.893 8.598 1.00 10.00 H new ATOM 0 HG2 GLU B 13 8.162 -5.660 10.867 1.00 10.00 H new ATOM 0 HG3 GLU B 13 7.568 -4.094 10.351 1.00 10.00 H new ATOM 963 N LEU B 14 9.404 -4.298 6.916 1.00 10.00 N ATOM 964 CA LEU B 14 10.639 -3.580 6.490 1.00 10.00 C ATOM 965 C LEU B 14 10.271 -2.277 5.773 1.00 10.00 C ATOM 966 O LEU B 14 10.608 -1.197 6.216 1.00 10.00 O ATOM 967 CB LEU B 14 11.348 -4.539 5.531 1.00 10.00 C ATOM 968 CG LEU B 14 12.377 -5.370 6.300 1.00 10.00 C ATOM 969 CD1 LEU B 14 13.217 -6.184 5.313 1.00 10.00 C ATOM 970 CD2 LEU B 14 13.294 -4.439 7.097 1.00 10.00 C ATOM 0 H LEU B 14 9.406 -5.304 6.748 1.00 10.00 H new ATOM 0 HA LEU B 14 11.272 -3.310 7.336 1.00 10.00 H new ATOM 0 HB2 LEU B 14 10.620 -5.195 5.053 1.00 10.00 H new ATOM 0 HB3 LEU B 14 11.840 -3.977 4.737 1.00 10.00 H new ATOM 0 HG LEU B 14 11.860 -6.044 6.982 1.00 10.00 H new ATOM 0 HD11 LEU B 14 13.950 -6.776 5.861 1.00 10.00 H new ATOM 0 HD12 LEU B 14 12.567 -6.848 4.743 1.00 10.00 H new ATOM 0 HD13 LEU B 14 13.733 -5.508 4.631 1.00 10.00 H new ATOM 0 HD21 LEU B 14 14.027 -5.032 7.645 1.00 10.00 H new ATOM 0 HD22 LEU B 14 13.810 -3.764 6.414 1.00 10.00 H new ATOM 0 HD23 LEU B 14 12.699 -3.857 7.801 1.00 10.00 H new ATOM 982 N LEU B 15 9.581 -2.371 4.670 1.00 10.00 N ATOM 983 CA LEU B 15 9.191 -1.137 3.929 1.00 10.00 C ATOM 984 C LEU B 15 8.489 -0.157 4.873 1.00 10.00 C ATOM 985 O LEU B 15 8.833 1.007 4.942 1.00 10.00 O ATOM 986 CB LEU B 15 8.230 -1.615 2.839 1.00 10.00 C ATOM 987 CG LEU B 15 9.014 -2.343 1.745 1.00 10.00 C ATOM 988 CD1 LEU B 15 8.104 -2.583 0.540 1.00 10.00 C ATOM 989 CD2 LEU B 15 10.208 -1.487 1.317 1.00 10.00 C ATOM 0 H LEU B 15 9.270 -3.247 4.250 1.00 10.00 H new ATOM 0 HA LEU B 15 10.052 -0.615 3.511 1.00 10.00 H new ATOM 0 HB2 LEU B 15 7.481 -2.281 3.267 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.696 -0.766 2.413 1.00 10.00 H new ATOM 0 HG LEU B 15 9.370 -3.299 2.129 1.00 10.00 H new ATOM 0 HD11 LEU B 15 8.662 -3.102 -0.240 1.00 10.00 H new ATOM 0 HD12 LEU B 15 7.252 -3.192 0.843 1.00 10.00 H new ATOM 0 HD13 LEU B 15 7.748 -1.627 0.157 1.00 10.00 H new ATOM 0 HD21 LEU B 15 10.767 -2.005 0.538 1.00 10.00 H new ATOM 0 HD22 LEU B 15 9.851 -0.531 0.933 1.00 10.00 H new ATOM 0 HD23 LEU B 15 10.858 -1.314 2.175 1.00 10.00 H new ATOM 1001 N GLN B 16 7.510 -0.618 5.602 1.00 10.00 N ATOM 1002 CA GLN B 16 6.790 0.287 6.543 1.00 10.00 C ATOM 1003 C GLN B 16 7.791 1.185 7.274 1.00 10.00 C ATOM 1004 O GLN B 16 7.760 2.393 7.151 1.00 10.00 O ATOM 1005 CB GLN B 16 6.084 -0.644 7.529 1.00 10.00 C ATOM 1006 CG GLN B 16 4.625 -0.210 7.687 1.00 10.00 C ATOM 1007 CD GLN B 16 4.075 -0.740 9.013 1.00 10.00 C ATOM 1008 OE1 GLN B 16 3.540 0.010 9.805 1.00 10.00 O ATOM 1009 NE2 GLN B 16 4.182 -2.011 9.289 1.00 10.00 N ATOM 0 H GLN B 16 7.177 -1.582 5.587 1.00 10.00 H new ATOM 0 HA GLN B 16 6.086 0.943 6.031 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.132 -1.673 7.172 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.589 -0.618 8.495 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.553 0.877 7.660 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.030 -0.590 6.857 1.00 10.00 H new ATOM 0 HE21 GLN B 16 4.631 -2.641 8.624 1.00 10.00 H new ATOM 0 HE22 GLN B 16 3.817 -2.374 10.169 1.00 10.00 H new ATOM 1018 N GLY B 17 8.683 0.603 8.029 1.00 10.00 N ATOM 1019 CA GLY B 17 9.687 1.427 8.758 1.00 10.00 C ATOM 1020 C GLY B 17 10.237 2.496 7.815 1.00 10.00 C ATOM 1021 O GLY B 17 10.283 3.665 8.144 1.00 10.00 O ATOM 0 H GLY B 17 8.759 -0.404 8.172 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.228 1.894 9.629 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.497 0.796 9.124 1.00 10.00 H new ATOM 1025 N TYR B 18 10.649 2.104 6.641 1.00 10.00 N ATOM 1026 CA TYR B 18 11.191 3.093 5.669 1.00 10.00 C ATOM 1027 C TYR B 18 10.349 4.370 5.690 1.00 10.00 C ATOM 1028 O TYR B 18 10.827 5.436 6.025 1.00 10.00 O ATOM 1029 CB TYR B 18 11.085 2.406 4.309 1.00 10.00 C ATOM 1030 CG TYR B 18 12.283 2.775 3.475 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.560 2.747 4.044 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.119 3.151 2.136 1.00 10.00 C ATOM 1033 CE1 TYR B 18 14.677 3.094 3.276 1.00 10.00 C ATOM 1034 CE2 TYR B 18 13.236 3.498 1.367 1.00 10.00 C ATOM 1035 CZ TYR B 18 14.514 3.470 1.937 1.00 10.00 C ATOM 1036 OH TYR B 18 15.614 3.814 1.180 1.00 10.00 O ATOM 0 H TYR B 18 10.633 1.138 6.313 1.00 10.00 H new ATOM 0 HA TYR B 18 12.215 3.384 5.902 1.00 10.00 H new ATOM 0 HB2 TYR B 18 11.035 1.325 4.437 1.00 10.00 H new ATOM 0 HB3 TYR B 18 10.168 2.710 3.805 1.00 10.00 H new ATOM 0 HD1 TYR B 18 13.684 2.457 5.077 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.132 3.173 1.697 1.00 10.00 H new ATOM 0 HE1 TYR B 18 15.663 3.072 3.715 1.00 10.00 H new ATOM 0 HE2 TYR B 18 13.112 3.787 0.334 1.00 10.00 H new ATOM 0 HH TYR B 18 15.524 4.741 0.874 1.00 10.00 H new ATOM 1046 N THR B 19 9.098 4.270 5.335 1.00 10.00 N ATOM 1047 CA THR B 19 8.226 5.478 5.336 1.00 10.00 C ATOM 1048 C THR B 19 8.344 6.205 6.678 1.00 10.00 C ATOM 1049 O THR B 19 8.304 7.416 6.744 1.00 10.00 O ATOM 1050 CB THR B 19 6.806 4.938 5.118 1.00 10.00 C ATOM 1051 OG1 THR B 19 6.327 5.378 3.855 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.871 5.442 6.222 1.00 10.00 C ATOM 0 H THR B 19 8.642 3.405 5.045 1.00 10.00 H new ATOM 0 HA THR B 19 8.502 6.199 4.566 1.00 10.00 H new ATOM 0 HB THR B 19 6.830 3.849 5.147 1.00 10.00 H new ATOM 0 HG1 THR B 19 5.421 5.034 3.711 1.00 10.00 H new ATOM 0 HG21 THR B 19 4.867 5.051 6.055 1.00 10.00 H new ATOM 0 HG22 THR B 19 6.236 5.102 7.191 1.00 10.00 H new ATOM 0 HG23 THR B 19 5.844 6.532 6.206 1.00 10.00 H new ATOM 1060 N VAL B 20 8.488 5.473 7.748 1.00 10.00 N ATOM 1061 CA VAL B 20 8.606 6.121 9.086 1.00 10.00 C ATOM 1062 C VAL B 20 9.951 6.842 9.216 1.00 10.00 C ATOM 1063 O VAL B 20 10.095 7.768 9.988 1.00 10.00 O ATOM 1064 CB VAL B 20 8.520 4.972 10.089 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.504 5.534 11.512 1.00 10.00 C ATOM 1066 CG2 VAL B 20 7.236 4.177 9.841 1.00 10.00 C ATOM 0 H VAL B 20 8.529 4.454 7.754 1.00 10.00 H new ATOM 0 HA VAL B 20 7.830 6.869 9.249 1.00 10.00 H new ATOM 0 HB VAL B 20 9.384 4.318 9.968 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.443 4.713 12.227 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.417 6.102 11.689 1.00 10.00 H new ATOM 0 HG13 VAL B 20 7.641 6.188 11.635 1.00 10.00 H new ATOM 0 HG21 VAL B 20 7.172 3.356 10.556 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.373 4.832 9.963 1.00 10.00 H new ATOM 0 HG23 VAL B 20 7.247 3.776 8.828 1.00 10.00 H new ATOM 1076 N GLU B 21 10.938 6.426 8.470 1.00 10.00 N ATOM 1077 CA GLU B 21 12.271 7.095 8.563 1.00 10.00 C ATOM 1078 C GLU B 21 12.357 8.236 7.553 1.00 10.00 C ATOM 1079 O GLU B 21 12.466 9.394 7.907 1.00 10.00 O ATOM 1080 CB GLU B 21 13.311 6.022 8.220 1.00 10.00 C ATOM 1081 CG GLU B 21 12.697 4.636 8.374 1.00 10.00 C ATOM 1082 CD GLU B 21 13.794 3.621 8.701 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.774 4.015 9.310 1.00 10.00 O ATOM 1084 OE2 GLU B 21 13.634 2.468 8.335 1.00 10.00 O ATOM 0 H GLU B 21 10.882 5.656 7.803 1.00 10.00 H new ATOM 0 HA GLU B 21 12.436 7.514 9.556 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.666 6.161 7.199 1.00 10.00 H new ATOM 0 HB3 GLU B 21 14.177 6.120 8.874 1.00 10.00 H new ATOM 0 HG2 GLU B 21 11.948 4.645 9.166 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.185 4.350 7.455 1.00 10.00 H new ATOM 1091 N VAL B 22 12.314 7.907 6.295 1.00 10.00 N ATOM 1092 CA VAL B 22 12.400 8.952 5.239 1.00 10.00 C ATOM 1093 C VAL B 22 11.492 10.140 5.578 1.00 10.00 C ATOM 1094 O VAL B 22 11.745 11.256 5.172 1.00 10.00 O ATOM 1095 CB VAL B 22 11.925 8.256 3.964 1.00 10.00 C ATOM 1096 CG1 VAL B 22 12.258 9.125 2.756 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.635 6.907 3.823 1.00 10.00 C ATOM 0 H VAL B 22 12.222 6.952 5.949 1.00 10.00 H new ATOM 0 HA VAL B 22 13.408 9.354 5.138 1.00 10.00 H new ATOM 0 HB VAL B 22 10.848 8.100 4.018 1.00 10.00 H new ATOM 0 HG11 VAL B 22 11.919 8.629 1.846 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.757 10.088 2.852 1.00 10.00 H new ATOM 0 HG13 VAL B 22 13.336 9.280 2.705 1.00 10.00 H new ATOM 0 HG21 VAL B 22 12.296 6.411 2.914 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.712 7.066 3.770 1.00 10.00 H new ATOM 0 HG23 VAL B 22 12.403 6.282 4.685 1.00 10.00 H new ATOM 1107 N LEU B 23B 10.438 9.914 6.315 1.00 10.00 N ATOM 1108 CA LEU B 23B 9.526 11.042 6.666 1.00 10.00 C ATOM 1109 C LEU B 23B 9.993 11.729 7.953 1.00 10.00 C ATOM 1110 O LEU B 23B 9.969 12.939 8.063 1.00 10.00 O ATOM 1111 CB LEU B 23B 8.154 10.401 6.868 1.00 10.00 C ATOM 1112 CG LEU B 23B 7.352 10.490 5.568 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 7.810 9.392 4.606 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 5.864 10.310 5.874 1.00 10.00 C ATOM 0 H LEU B 23B 10.170 9.003 6.688 1.00 10.00 H new ATOM 0 HA LEU B 23B 9.507 11.807 5.890 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 8.268 9.359 7.167 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 7.620 10.906 7.673 1.00 10.00 H new ATOM 0 HG LEU B 23B 7.515 11.465 5.109 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 7.238 9.457 3.681 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 8.870 9.519 4.387 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 7.649 8.416 5.064 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 5.292 10.373 4.948 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 5.703 9.335 6.334 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 5.536 11.093 6.558 1.00 10.00 H new ATOM 1126 N ARG B 24 10.415 10.972 8.930 1.00 10.00 N ATOM 1127 CA ARG B 24 10.878 11.595 10.204 1.00 10.00 C ATOM 1128 C ARG B 24 12.217 12.309 9.999 1.00 10.00 C ATOM 1129 O ARG B 24 12.777 12.868 10.921 1.00 10.00 O ATOM 1130 CB ARG B 24 11.039 10.432 11.182 1.00 10.00 C ATOM 1131 CG ARG B 24 10.145 10.662 12.403 1.00 10.00 C ATOM 1132 CD ARG B 24 9.048 9.595 12.441 1.00 10.00 C ATOM 1133 NE ARG B 24 8.663 9.494 13.875 1.00 10.00 N ATOM 1134 CZ ARG B 24 7.482 9.044 14.206 1.00 10.00 C ATOM 1135 NH1 ARG B 24 6.663 8.616 13.283 1.00 10.00 N ATOM 1136 NH2 ARG B 24 7.122 9.021 15.459 1.00 10.00 N ATOM 0 H ARG B 24 10.459 9.953 8.902 1.00 10.00 H new ATOM 0 HA ARG B 24 10.175 12.343 10.569 1.00 10.00 H new ATOM 0 HB2 ARG B 24 10.772 9.494 10.695 1.00 10.00 H new ATOM 0 HB3 ARG B 24 12.080 10.346 11.492 1.00 10.00 H new ATOM 0 HG2 ARG B 24 10.740 10.620 13.315 1.00 10.00 H new ATOM 0 HG3 ARG B 24 9.699 11.656 12.359 1.00 10.00 H new ATOM 0 HD2 ARG B 24 8.197 9.881 11.822 1.00 10.00 H new ATOM 0 HD3 ARG B 24 9.412 8.640 12.061 1.00 10.00 H new ATOM 0 HE ARG B 24 9.322 9.776 14.600 1.00 10.00 H new ATOM 0 HH11 ARG B 24 6.945 8.633 12.303 1.00 10.00 H new ATOM 0 HH12 ARG B 24 5.741 8.265 13.542 1.00 10.00 H new ATOM 0 HH21 ARG B 24 7.762 9.354 16.180 1.00 10.00 H new ATOM 0 HH22 ARG B 24 6.200 8.670 15.718 1.00 10.00 H new ATOM 1150 N GLN B 25 12.739 12.297 8.802 1.00 10.00 N ATOM 1151 CA GLN B 25 14.041 12.977 8.556 1.00 10.00 C ATOM 1152 C GLN B 25 14.209 13.301 7.068 1.00 10.00 C ATOM 1153 O GLN B 25 15.308 13.521 6.600 1.00 10.00 O ATOM 1154 CB GLN B 25 15.103 11.975 9.011 1.00 10.00 C ATOM 1155 CG GLN B 25 15.278 10.890 7.946 1.00 10.00 C ATOM 1156 CD GLN B 25 16.363 9.907 8.390 1.00 10.00 C ATOM 1157 OE1 GLN B 25 16.075 8.914 9.029 1.00 10.00 O ATOM 1158 NE2 GLN B 25 17.608 10.143 8.078 1.00 10.00 N ATOM 0 H GLN B 25 12.321 11.847 7.987 1.00 10.00 H new ATOM 0 HA GLN B 25 14.115 13.924 9.091 1.00 10.00 H new ATOM 0 HB2 GLN B 25 16.050 12.487 9.182 1.00 10.00 H new ATOM 0 HB3 GLN B 25 14.809 11.524 9.959 1.00 10.00 H new ATOM 0 HG2 GLN B 25 14.337 10.363 7.791 1.00 10.00 H new ATOM 0 HG3 GLN B 25 15.551 11.342 6.993 1.00 10.00 H new ATOM 0 HE21 GLN B 25 17.850 10.976 7.542 1.00 10.00 H new ATOM 0 HE22 GLN B 25 18.339 9.494 8.370 1.00 10.00 H new ATOM 1167 N GLN B 26 13.128 13.330 6.329 1.00 10.00 N ATOM 1168 CA GLN B 26 13.206 13.640 4.864 1.00 10.00 C ATOM 1169 C GLN B 26 14.658 13.852 4.421 1.00 10.00 C ATOM 1170 O GLN B 26 15.159 14.959 4.444 1.00 10.00 O ATOM 1171 CB GLN B 26 12.403 14.929 4.692 1.00 10.00 C ATOM 1172 CG GLN B 26 10.907 14.606 4.714 1.00 10.00 C ATOM 1173 CD GLN B 26 10.146 15.752 5.383 1.00 10.00 C ATOM 1174 OE1 GLN B 26 9.471 15.553 6.373 1.00 10.00 O ATOM 1175 NE2 GLN B 26 10.223 16.952 4.877 1.00 10.00 N ATOM 0 H GLN B 26 12.187 13.151 6.679 1.00 10.00 H new ATOM 0 HA GLN B 26 12.816 12.823 4.257 1.00 10.00 H new ATOM 0 HB2 GLN B 26 12.646 15.631 5.490 1.00 10.00 H new ATOM 0 HB3 GLN B 26 12.668 15.412 3.751 1.00 10.00 H new ATOM 0 HG2 GLN B 26 10.542 14.457 3.698 1.00 10.00 H new ATOM 0 HG3 GLN B 26 10.733 13.676 5.255 1.00 10.00 H new ATOM 0 HE21 GLN B 26 10.790 17.120 4.046 1.00 10.00 H new ATOM 0 HE22 GLN B 26 9.716 17.723 5.313 1.00 10.00 H new ATOM 1184 N PRO B 27 15.285 12.775 4.035 1.00 10.00 N ATOM 1185 CA PRO B 27 16.698 12.830 3.585 1.00 10.00 C ATOM 1186 C PRO B 27 16.812 13.572 2.251 1.00 10.00 C ATOM 1187 O PRO B 27 15.842 13.716 1.533 1.00 10.00 O ATOM 1188 CB PRO B 27 17.083 11.360 3.431 1.00 10.00 C ATOM 1189 CG PRO B 27 15.788 10.651 3.207 1.00 10.00 C ATOM 1190 CD PRO B 27 14.746 11.415 3.979 1.00 10.00 C ATOM 0 HA PRO B 27 17.347 13.364 4.279 1.00 10.00 H new ATOM 0 HB2 PRO B 27 17.764 11.215 2.593 1.00 10.00 H new ATOM 0 HB3 PRO B 27 17.589 10.988 4.322 1.00 10.00 H new ATOM 0 HG2 PRO B 27 15.540 10.621 2.146 1.00 10.00 H new ATOM 0 HG3 PRO B 27 15.846 9.618 3.551 1.00 10.00 H new ATOM 0 HD2 PRO B 27 13.778 11.388 3.480 1.00 10.00 H new ATOM 0 HD3 PRO B 27 14.602 11.000 4.976 1.00 10.00 H new ATOM 1198 N PRO B 28 18.004 14.020 1.967 1.00 10.00 N ATOM 1199 CA PRO B 28 18.266 14.760 0.708 1.00 10.00 C ATOM 1200 C PRO B 28 18.163 13.824 -0.499 1.00 10.00 C ATOM 1201 O PRO B 28 18.177 14.256 -1.634 1.00 10.00 O ATOM 1202 CB PRO B 28 19.694 15.271 0.883 1.00 10.00 C ATOM 1203 CG PRO B 28 20.316 14.332 1.864 1.00 10.00 C ATOM 1204 CD PRO B 28 19.212 13.882 2.783 1.00 10.00 C ATOM 0 HA PRO B 28 17.551 15.562 0.527 1.00 10.00 H new ATOM 0 HB2 PRO B 28 20.234 15.269 -0.064 1.00 10.00 H new ATOM 0 HB3 PRO B 28 19.705 16.296 1.254 1.00 10.00 H new ATOM 0 HG2 PRO B 28 20.767 13.481 1.354 1.00 10.00 H new ATOM 0 HG3 PRO B 28 21.110 14.826 2.424 1.00 10.00 H new ATOM 0 HD2 PRO B 28 19.358 12.853 3.111 1.00 10.00 H new ATOM 0 HD3 PRO B 28 19.162 14.498 3.681 1.00 10.00 H new ATOM 1212 N ASP B 29 18.061 12.544 -0.264 1.00 10.00 N ATOM 1213 CA ASP B 29 17.958 11.585 -1.402 1.00 10.00 C ATOM 1214 C ASP B 29 17.548 10.201 -0.892 1.00 10.00 C ATOM 1215 O ASP B 29 18.009 9.746 0.137 1.00 10.00 O ATOM 1216 CB ASP B 29 19.362 11.539 -2.008 1.00 10.00 C ATOM 1217 CG ASP B 29 19.433 12.490 -3.204 1.00 10.00 C ATOM 1218 OD1 ASP B 29 18.457 12.569 -3.931 1.00 10.00 O ATOM 1219 OD2 ASP B 29 20.462 13.123 -3.371 1.00 10.00 O ATOM 0 H ASP B 29 18.045 12.121 0.664 1.00 10.00 H new ATOM 0 HA ASP B 29 17.208 11.889 -2.132 1.00 10.00 H new ATOM 0 HB2 ASP B 29 20.102 11.823 -1.260 1.00 10.00 H new ATOM 0 HB3 ASP B 29 19.601 10.523 -2.323 1.00 10.00 H new ATOM 1224 N LEU B 30 16.685 9.527 -1.602 1.00 10.00 N ATOM 1225 CA LEU B 30 16.248 8.174 -1.155 1.00 10.00 C ATOM 1226 C LEU B 30 17.271 7.119 -1.583 1.00 10.00 C ATOM 1227 O LEU B 30 17.887 6.476 -0.759 1.00 10.00 O ATOM 1228 CB LEU B 30 14.909 7.938 -1.853 1.00 10.00 C ATOM 1229 CG LEU B 30 13.986 7.143 -0.928 1.00 10.00 C ATOM 1230 CD1 LEU B 30 12.933 8.077 -0.330 1.00 10.00 C ATOM 1231 CD2 LEU B 30 13.290 6.037 -1.727 1.00 10.00 C ATOM 0 H LEU B 30 16.264 9.854 -2.471 1.00 10.00 H new ATOM 0 HA LEU B 30 16.159 8.107 -0.071 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.449 8.891 -2.112 1.00 10.00 H new ATOM 0 HB3 LEU B 30 15.063 7.395 -2.785 1.00 10.00 H new ATOM 0 HG LEU B 30 14.574 6.698 -0.126 1.00 10.00 H new ATOM 0 HD11 LEU B 30 12.276 7.510 0.329 1.00 10.00 H new ATOM 0 HD12 LEU B 30 13.427 8.864 0.240 1.00 10.00 H new ATOM 0 HD13 LEU B 30 12.345 8.524 -1.132 1.00 10.00 H new ATOM 0 HD21 LEU B 30 12.632 5.471 -1.068 1.00 10.00 H new ATOM 0 HD22 LEU B 30 12.703 6.483 -2.530 1.00 10.00 H new ATOM 0 HD23 LEU B 30 14.039 5.369 -2.153 1.00 10.00 H new ATOM 1243 N VAL B 31 17.454 6.939 -2.865 1.00 10.00 N ATOM 1244 CA VAL B 31 18.440 5.924 -3.348 1.00 10.00 C ATOM 1245 C VAL B 31 19.623 5.842 -2.384 1.00 10.00 C ATOM 1246 O VAL B 31 19.872 4.825 -1.767 1.00 10.00 O ATOM 1247 CB VAL B 31 18.914 6.439 -4.707 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.687 5.332 -5.426 1.00 10.00 C ATOM 1249 CG2 VAL B 31 17.705 6.843 -5.555 1.00 10.00 C ATOM 0 H VAL B 31 16.964 7.450 -3.599 1.00 10.00 H new ATOM 0 HA VAL B 31 18.001 4.929 -3.415 1.00 10.00 H new ATOM 0 HB VAL B 31 19.560 7.305 -4.560 1.00 10.00 H new ATOM 0 HG11 VAL B 31 20.026 5.696 -6.396 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.549 5.041 -4.826 1.00 10.00 H new ATOM 0 HG13 VAL B 31 19.037 4.469 -5.570 1.00 10.00 H new ATOM 0 HG21 VAL B 31 18.046 7.210 -6.523 1.00 10.00 H new ATOM 0 HG22 VAL B 31 17.058 5.978 -5.702 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.149 7.629 -5.044 1.00 10.00 H new ATOM 1259 N ASP B 32 20.349 6.915 -2.252 1.00 10.00 N ATOM 1260 CA ASP B 32 21.517 6.923 -1.331 1.00 10.00 C ATOM 1261 C ASP B 32 21.062 6.615 0.098 1.00 10.00 C ATOM 1262 O ASP B 32 21.693 5.860 0.811 1.00 10.00 O ATOM 1263 CB ASP B 32 22.069 8.343 -1.435 1.00 10.00 C ATOM 1264 CG ASP B 32 23.598 8.306 -1.387 1.00 10.00 C ATOM 1265 OD1 ASP B 32 24.139 7.243 -1.131 1.00 10.00 O ATOM 1266 OD2 ASP B 32 24.202 9.343 -1.607 1.00 10.00 O ATOM 0 H ASP B 32 20.182 7.792 -2.746 1.00 10.00 H new ATOM 0 HA ASP B 32 22.265 6.172 -1.586 1.00 10.00 H new ATOM 0 HB2 ASP B 32 21.736 8.806 -2.364 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.684 8.954 -0.618 1.00 10.00 H new ATOM 1271 N PHE B 33 19.965 7.186 0.520 1.00 10.00 N ATOM 1272 CA PHE B 33 19.469 6.914 1.900 1.00 10.00 C ATOM 1273 C PHE B 33 19.093 5.437 2.032 1.00 10.00 C ATOM 1274 O PHE B 33 19.262 4.830 3.071 1.00 10.00 O ATOM 1275 CB PHE B 33 18.234 7.801 2.064 1.00 10.00 C ATOM 1276 CG PHE B 33 17.540 7.464 3.362 1.00 10.00 C ATOM 1277 CD1 PHE B 33 17.989 8.028 4.563 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.449 6.587 3.365 1.00 10.00 C ATOM 1279 CE1 PHE B 33 17.345 7.715 5.767 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.806 6.273 4.569 1.00 10.00 C ATOM 1281 CZ PHE B 33 16.254 6.837 5.770 1.00 10.00 C ATOM 0 H PHE B 33 19.393 7.827 -0.030 1.00 10.00 H new ATOM 0 HA PHE B 33 20.219 7.125 2.662 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.524 8.852 2.057 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.553 7.653 1.226 1.00 10.00 H new ATOM 0 HD1 PHE B 33 18.831 8.704 4.561 1.00 10.00 H new ATOM 0 HD2 PHE B 33 16.103 6.152 2.439 1.00 10.00 H new ATOM 0 HE1 PHE B 33 17.690 8.151 6.693 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.965 5.596 4.571 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.758 6.595 6.698 1.00 10.00 H new ATOM 1291 N ALA B 34 18.591 4.854 0.978 1.00 10.00 N ATOM 1292 CA ALA B 34 18.210 3.415 1.029 1.00 10.00 C ATOM 1293 C ALA B 34 19.464 2.553 1.165 1.00 10.00 C ATOM 1294 O ALA B 34 19.484 1.570 1.876 1.00 10.00 O ATOM 1295 CB ALA B 34 17.520 3.139 -0.309 1.00 10.00 C ATOM 0 H ALA B 34 18.428 5.314 0.082 1.00 10.00 H new ATOM 0 HA ALA B 34 17.563 3.186 1.876 1.00 10.00 H new ATOM 0 HB1 ALA B 34 17.208 2.095 -0.349 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.646 3.783 -0.407 1.00 10.00 H new ATOM 0 HB3 ALA B 34 18.214 3.342 -1.125 1.00 10.00 H new ATOM 1301 N VAL B 35 20.513 2.919 0.485 1.00 10.00 N ATOM 1302 CA VAL B 35 21.766 2.138 0.560 1.00 10.00 C ATOM 1303 C VAL B 35 22.426 2.333 1.928 1.00 10.00 C ATOM 1304 O VAL B 35 22.912 1.399 2.532 1.00 10.00 O ATOM 1305 CB VAL B 35 22.621 2.729 -0.556 1.00 10.00 C ATOM 1306 CG1 VAL B 35 24.089 2.427 -0.294 1.00 10.00 C ATOM 1307 CG2 VAL B 35 22.200 2.119 -1.892 1.00 10.00 C ATOM 0 H VAL B 35 20.551 3.736 -0.125 1.00 10.00 H new ATOM 0 HA VAL B 35 21.618 1.064 0.446 1.00 10.00 H new ATOM 0 HB VAL B 35 22.480 3.809 -0.588 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.696 2.851 -1.094 1.00 10.00 H new ATOM 0 HG12 VAL B 35 24.386 2.865 0.659 1.00 10.00 H new ATOM 0 HG13 VAL B 35 24.238 1.348 -0.259 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.809 2.539 -2.692 1.00 10.00 H new ATOM 0 HG22 VAL B 35 22.340 1.039 -1.859 1.00 10.00 H new ATOM 0 HG23 VAL B 35 21.150 2.343 -2.080 1.00 10.00 H new ATOM 1317 N GLU B 36 22.446 3.540 2.420 1.00 10.00 N ATOM 1318 CA GLU B 36 23.077 3.793 3.746 1.00 10.00 C ATOM 1319 C GLU B 36 22.244 3.161 4.866 1.00 10.00 C ATOM 1320 O GLU B 36 22.741 2.385 5.658 1.00 10.00 O ATOM 1321 CB GLU B 36 23.098 5.315 3.887 1.00 10.00 C ATOM 1322 CG GLU B 36 23.801 5.930 2.675 1.00 10.00 C ATOM 1323 CD GLU B 36 25.307 5.991 2.935 1.00 10.00 C ATOM 1324 OE1 GLU B 36 25.720 6.837 3.710 1.00 10.00 O ATOM 1325 OE2 GLU B 36 26.020 5.190 2.354 1.00 10.00 O ATOM 0 H GLU B 36 22.053 4.362 1.962 1.00 10.00 H new ATOM 0 HA GLU B 36 24.075 3.360 3.816 1.00 10.00 H new ATOM 0 HB2 GLU B 36 22.080 5.698 3.964 1.00 10.00 H new ATOM 0 HB3 GLU B 36 23.615 5.599 4.804 1.00 10.00 H new ATOM 0 HG2 GLU B 36 23.599 5.336 1.784 1.00 10.00 H new ATOM 0 HG3 GLU B 36 23.413 6.931 2.485 1.00 10.00 H new ATOM 1332 N TYR B 37 20.984 3.490 4.942 1.00 10.00 N ATOM 1333 CA TYR B 37 20.126 2.912 6.017 1.00 10.00 C ATOM 1334 C TYR B 37 20.170 1.382 5.980 1.00 10.00 C ATOM 1335 O TYR B 37 20.391 0.734 6.984 1.00 10.00 O ATOM 1336 CB TYR B 37 18.714 3.414 5.711 1.00 10.00 C ATOM 1337 CG TYR B 37 17.711 2.600 6.494 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.479 2.886 7.845 1.00 10.00 C ATOM 1339 CD2 TYR B 37 17.015 1.558 5.869 1.00 10.00 C ATOM 1340 CE1 TYR B 37 16.550 2.130 8.571 1.00 10.00 C ATOM 1341 CE2 TYR B 37 16.087 0.802 6.595 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.854 1.088 7.946 1.00 10.00 C ATOM 1343 OH TYR B 37 14.939 0.342 8.661 1.00 10.00 O ATOM 0 H TYR B 37 20.511 4.133 4.307 1.00 10.00 H new ATOM 0 HA TYR B 37 20.462 3.210 7.010 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.626 4.469 5.973 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.511 3.333 4.643 1.00 10.00 H new ATOM 0 HD1 TYR B 37 18.016 3.689 8.327 1.00 10.00 H new ATOM 0 HD2 TYR B 37 17.194 1.338 4.827 1.00 10.00 H new ATOM 0 HE1 TYR B 37 16.370 2.351 9.613 1.00 10.00 H new ATOM 0 HE2 TYR B 37 15.551 -0.002 6.113 1.00 10.00 H new ATOM 0 HH TYR B 37 14.225 0.927 8.989 1.00 10.00 H new ATOM 1353 N PHE B 38 19.954 0.797 4.834 1.00 10.00 N ATOM 1354 CA PHE B 38 19.976 -0.692 4.744 1.00 10.00 C ATOM 1355 C PHE B 38 21.402 -1.222 4.931 1.00 10.00 C ATOM 1356 O PHE B 38 21.645 -2.093 5.742 1.00 10.00 O ATOM 1357 CB PHE B 38 19.454 -1.014 3.344 1.00 10.00 C ATOM 1358 CG PHE B 38 17.947 -0.915 3.336 1.00 10.00 C ATOM 1359 CD1 PHE B 38 17.198 -1.576 4.317 1.00 10.00 C ATOM 1360 CD2 PHE B 38 17.298 -0.162 2.350 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.801 -1.485 4.311 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.901 -0.071 2.344 1.00 10.00 C ATOM 1363 CZ PHE B 38 15.152 -0.732 3.325 1.00 10.00 C ATOM 0 H PHE B 38 19.764 1.283 3.958 1.00 10.00 H new ATOM 0 HA PHE B 38 19.369 -1.159 5.520 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.879 -0.322 2.617 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.765 -2.016 3.049 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.698 -2.156 5.078 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.875 0.349 1.594 1.00 10.00 H new ATOM 0 HE1 PHE B 38 15.224 -1.996 5.067 1.00 10.00 H new ATOM 0 HE2 PHE B 38 15.401 0.509 1.583 1.00 10.00 H new ATOM 0 HZ PHE B 38 14.074 -0.661 3.321 1.00 10.00 H new ATOM 1373 N THR B 39 22.350 -0.707 4.193 1.00 10.00 N ATOM 1374 CA THR B 39 23.752 -1.197 4.348 1.00 10.00 C ATOM 1375 C THR B 39 24.099 -1.307 5.834 1.00 10.00 C ATOM 1376 O THR B 39 24.804 -2.204 6.253 1.00 10.00 O ATOM 1377 CB THR B 39 24.632 -0.143 3.666 1.00 10.00 C ATOM 1378 OG1 THR B 39 24.469 -0.225 2.257 1.00 10.00 O ATOM 1379 CG2 THR B 39 26.099 -0.391 4.020 1.00 10.00 C ATOM 0 H THR B 39 22.217 0.025 3.495 1.00 10.00 H new ATOM 0 HA THR B 39 23.896 -2.183 3.906 1.00 10.00 H new ATOM 0 HB THR B 39 24.337 0.848 4.010 1.00 10.00 H new ATOM 0 HG1 THR B 39 23.773 0.403 1.971 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.722 0.359 3.534 1.00 10.00 H new ATOM 0 HG22 THR B 39 26.229 -0.326 5.100 1.00 10.00 H new ATOM 0 HG23 THR B 39 26.393 -1.383 3.678 1.00 10.00 H new ATOM 1387 N ARG B 40 23.608 -0.401 6.635 1.00 10.00 N ATOM 1388 CA ARG B 40 23.906 -0.453 8.093 1.00 10.00 C ATOM 1389 C ARG B 40 23.004 -1.481 8.782 1.00 10.00 C ATOM 1390 O ARG B 40 23.425 -2.188 9.676 1.00 10.00 O ATOM 1391 CB ARG B 40 23.609 0.956 8.609 1.00 10.00 C ATOM 1392 CG ARG B 40 24.758 1.892 8.229 1.00 10.00 C ATOM 1393 CD ARG B 40 24.212 3.302 7.988 1.00 10.00 C ATOM 1394 NE ARG B 40 25.321 4.215 8.377 1.00 10.00 N ATOM 1395 CZ ARG B 40 25.235 5.492 8.119 1.00 10.00 C ATOM 1396 NH1 ARG B 40 24.476 5.912 7.144 1.00 10.00 N ATOM 1397 NH2 ARG B 40 25.907 6.349 8.838 1.00 10.00 N ATOM 0 H ARG B 40 23.013 0.374 6.341 1.00 10.00 H new ATOM 0 HA ARG B 40 24.935 -0.751 8.294 1.00 10.00 H new ATOM 0 HB2 ARG B 40 22.674 1.320 8.184 1.00 10.00 H new ATOM 0 HB3 ARG B 40 23.483 0.939 9.692 1.00 10.00 H new ATOM 0 HG2 ARG B 40 25.504 1.911 9.024 1.00 10.00 H new ATOM 0 HG3 ARG B 40 25.257 1.526 7.332 1.00 10.00 H new ATOM 0 HD2 ARG B 40 23.932 3.444 6.944 1.00 10.00 H new ATOM 0 HD3 ARG B 40 23.320 3.487 8.586 1.00 10.00 H new ATOM 0 HE ARG B 40 26.148 3.843 8.845 1.00 10.00 H new ATOM 0 HH11 ARG B 40 23.949 5.242 6.583 1.00 10.00 H new ATOM 0 HH12 ARG B 40 24.409 6.910 6.943 1.00 10.00 H new ATOM 0 HH21 ARG B 40 26.499 6.021 9.601 1.00 10.00 H new ATOM 0 HH22 ARG B 40 25.840 7.347 8.637 1.00 10.00 H new ATOM 1411 N LEU B 41 21.767 -1.571 8.373 1.00 10.00 N ATOM 1412 CA LEU B 41 20.843 -2.556 9.007 1.00 10.00 C ATOM 1413 C LEU B 41 21.524 -3.922 9.113 1.00 10.00 C ATOM 1414 O LEU B 41 21.290 -4.673 10.039 1.00 10.00 O ATOM 1415 CB LEU B 41 19.635 -2.630 8.072 1.00 10.00 C ATOM 1416 CG LEU B 41 18.691 -3.736 8.547 1.00 10.00 C ATOM 1417 CD1 LEU B 41 18.317 -3.495 10.011 1.00 10.00 C ATOM 1418 CD2 LEU B 41 17.423 -3.728 7.691 1.00 10.00 C ATOM 0 H LEU B 41 21.357 -1.007 7.629 1.00 10.00 H new ATOM 0 HA LEU B 41 20.556 -2.263 10.017 1.00 10.00 H new ATOM 0 HB2 LEU B 41 19.113 -1.673 8.058 1.00 10.00 H new ATOM 0 HB3 LEU B 41 19.963 -2.830 7.052 1.00 10.00 H new ATOM 0 HG LEU B 41 19.188 -4.701 8.452 1.00 10.00 H new ATOM 0 HD11 LEU B 41 17.644 -4.283 10.349 1.00 10.00 H new ATOM 0 HD12 LEU B 41 19.219 -3.501 10.623 1.00 10.00 H new ATOM 0 HD13 LEU B 41 17.821 -2.529 10.105 1.00 10.00 H new ATOM 0 HD21 LEU B 41 16.750 -4.516 8.030 1.00 10.00 H new ATOM 0 HD22 LEU B 41 16.927 -2.762 7.785 1.00 10.00 H new ATOM 0 HD23 LEU B 41 17.687 -3.900 6.648 1.00 10.00 H new ATOM 1430 N ARG B 42 22.367 -4.249 8.172 1.00 10.00 N ATOM 1431 CA ARG B 42 23.065 -5.565 8.220 1.00 10.00 C ATOM 1432 C ARG B 42 23.897 -5.672 9.500 1.00 10.00 C ATOM 1433 O ARG B 42 24.058 -6.737 10.062 1.00 10.00 O ATOM 1434 CB ARG B 42 23.971 -5.577 6.988 1.00 10.00 C ATOM 1435 CG ARG B 42 23.453 -6.606 5.982 1.00 10.00 C ATOM 1436 CD ARG B 42 22.986 -5.888 4.714 1.00 10.00 C ATOM 1437 NE ARG B 42 24.171 -5.890 3.811 1.00 10.00 N ATOM 1438 CZ ARG B 42 25.149 -5.050 4.014 1.00 10.00 C ATOM 1439 NH1 ARG B 42 25.986 -5.247 4.996 1.00 10.00 N ATOM 1440 NH2 ARG B 42 25.290 -4.012 3.236 1.00 10.00 N ATOM 0 H ARG B 42 22.603 -3.662 7.372 1.00 10.00 H new ATOM 0 HA ARG B 42 22.369 -6.404 8.221 1.00 10.00 H new ATOM 0 HB2 ARG B 42 23.995 -4.587 6.532 1.00 10.00 H new ATOM 0 HB3 ARG B 42 24.993 -5.819 7.278 1.00 10.00 H new ATOM 0 HG2 ARG B 42 24.239 -7.321 5.739 1.00 10.00 H new ATOM 0 HG3 ARG B 42 22.629 -7.173 6.416 1.00 10.00 H new ATOM 0 HD2 ARG B 42 22.141 -6.403 4.257 1.00 10.00 H new ATOM 0 HD3 ARG B 42 22.659 -4.872 4.934 1.00 10.00 H new ATOM 0 HE ARG B 42 24.218 -6.548 3.033 1.00 10.00 H new ATOM 0 HH11 ARG B 42 25.876 -6.058 5.605 1.00 10.00 H new ATOM 0 HH12 ARG B 42 26.750 -4.590 5.154 1.00 10.00 H new ATOM 0 HH21 ARG B 42 24.636 -3.857 2.469 1.00 10.00 H new ATOM 0 HH22 ARG B 42 26.054 -3.356 3.395 1.00 10.00 H new ATOM 1454 N GLU B 43 24.429 -4.574 9.965 1.00 10.00 N ATOM 1455 CA GLU B 43 25.251 -4.611 11.208 1.00 10.00 C ATOM 1456 C GLU B 43 24.445 -4.071 12.392 1.00 10.00 C ATOM 1457 O GLU B 43 24.972 -3.849 13.463 1.00 10.00 O ATOM 1458 CB GLU B 43 26.449 -3.705 10.918 1.00 10.00 C ATOM 1459 CG GLU B 43 27.458 -4.453 10.044 1.00 10.00 C ATOM 1460 CD GLU B 43 27.626 -3.716 8.714 1.00 10.00 C ATOM 1461 OE1 GLU B 43 28.011 -2.559 8.745 1.00 10.00 O ATOM 1462 OE2 GLU B 43 27.368 -4.322 7.686 1.00 10.00 O ATOM 0 H GLU B 43 24.330 -3.653 9.538 1.00 10.00 H new ATOM 0 HA GLU B 43 25.559 -5.624 11.469 1.00 10.00 H new ATOM 0 HB2 GLU B 43 26.118 -2.797 10.413 1.00 10.00 H new ATOM 0 HB3 GLU B 43 26.919 -3.397 11.852 1.00 10.00 H new ATOM 0 HG2 GLU B 43 28.417 -4.523 10.557 1.00 10.00 H new ATOM 0 HG3 GLU B 43 27.116 -5.473 9.866 1.00 10.00 H new ATOM 1469 N ALA B 44 23.170 -3.860 12.208 1.00 10.00 N ATOM 1470 CA ALA B 44 22.330 -3.335 13.325 1.00 10.00 C ATOM 1471 C ALA B 44 22.740 -3.969 14.646 1.00 10.00 C ATOM 1472 O ALA B 44 23.269 -3.321 15.527 1.00 10.00 O ATOM 1473 CB ALA B 44 20.906 -3.770 12.999 1.00 10.00 C ATOM 0 H ALA B 44 22.673 -4.028 11.333 1.00 10.00 H new ATOM 0 HA ALA B 44 22.435 -2.254 13.421 1.00 10.00 H new ATOM 0 HB1 ALA B 44 20.231 -3.418 13.779 1.00 10.00 H new ATOM 0 HB2 ALA B 44 20.606 -3.345 12.041 1.00 10.00 H new ATOM 0 HB3 ALA B 44 20.861 -4.858 12.944 1.00 10.00 H new ATOM 1479 N ARG B 45 22.467 -5.235 14.788 1.00 10.00 N ATOM 1480 CA ARG B 45 22.799 -5.942 16.050 1.00 10.00 C ATOM 1481 C ARG B 45 24.069 -5.366 16.680 1.00 10.00 C ATOM 1482 O ARG B 45 24.188 -5.266 17.885 1.00 10.00 O ATOM 1483 CB ARG B 45 23.014 -7.400 15.644 1.00 10.00 C ATOM 1484 CG ARG B 45 23.201 -8.259 16.897 1.00 10.00 C ATOM 1485 CD ARG B 45 22.098 -9.319 16.958 1.00 10.00 C ATOM 1486 NE ARG B 45 22.818 -10.624 16.998 1.00 10.00 N ATOM 1487 CZ ARG B 45 22.721 -11.463 16.000 1.00 10.00 C ATOM 1488 NH1 ARG B 45 21.702 -11.403 15.186 1.00 10.00 N ATOM 1489 NH2 ARG B 45 23.645 -12.368 15.820 1.00 10.00 N ATOM 0 H ARG B 45 22.023 -5.814 14.075 1.00 10.00 H new ATOM 0 HA ARG B 45 22.010 -5.835 16.794 1.00 10.00 H new ATOM 0 HB2 ARG B 45 22.160 -7.758 15.069 1.00 10.00 H new ATOM 0 HB3 ARG B 45 23.889 -7.483 15.000 1.00 10.00 H new ATOM 0 HG2 ARG B 45 24.180 -8.738 16.880 1.00 10.00 H new ATOM 0 HG3 ARG B 45 23.168 -7.633 17.789 1.00 10.00 H new ATOM 0 HD2 ARG B 45 21.472 -9.187 17.840 1.00 10.00 H new ATOM 0 HD3 ARG B 45 21.442 -9.257 16.090 1.00 10.00 H new ATOM 0 HE ARG B 45 23.389 -10.863 17.808 1.00 10.00 H new ATOM 0 HH11 ARG B 45 20.977 -10.699 15.327 1.00 10.00 H new ATOM 0 HH12 ARG B 45 21.631 -12.060 14.409 1.00 10.00 H new ATOM 0 HH21 ARG B 45 24.440 -12.419 16.457 1.00 10.00 H new ATOM 0 HH22 ARG B 45 23.572 -13.024 15.042 1.00 10.00 H new ATOM 1503 N ARG B 46 25.018 -4.987 15.873 1.00 10.00 N ATOM 1504 CA ARG B 46 26.282 -4.417 16.422 1.00 10.00 C ATOM 1505 C ARG B 46 25.967 -3.309 17.431 1.00 10.00 C ATOM 1506 O ARG B 46 26.119 -3.554 18.616 1.00 10.00 O ATOM 1507 CB ARG B 46 27.018 -3.847 15.210 1.00 10.00 C ATOM 1508 CG ARG B 46 28.340 -3.223 15.661 1.00 10.00 C ATOM 1509 CD ARG B 46 29.002 -2.518 14.476 1.00 10.00 C ATOM 1510 NE ARG B 46 30.344 -2.107 14.973 1.00 10.00 N ATOM 1511 CZ ARG B 46 30.778 -0.896 14.754 1.00 10.00 C ATOM 1512 NH1 ARG B 46 30.674 -0.372 13.563 1.00 10.00 N ATOM 1513 NH2 ARG B 46 31.315 -0.209 15.725 1.00 10.00 N ATOM 1514 OXT ARG B 46 25.579 -2.236 17.000 1.00 10.00 O ATOM 0 H ARG B 46 24.975 -5.047 14.856 1.00 10.00 H new ATOM 0 HA ARG B 46 26.879 -5.163 16.947 1.00 10.00 H new ATOM 0 HB2 ARG B 46 27.206 -4.636 14.482 1.00 10.00 H new ATOM 0 HB3 ARG B 46 26.400 -3.097 14.716 1.00 10.00 H new ATOM 0 HG2 ARG B 46 28.162 -2.512 16.468 1.00 10.00 H new ATOM 0 HG3 ARG B 46 29.002 -3.994 16.056 1.00 10.00 H new ATOM 0 HD2 ARG B 46 29.086 -3.184 13.617 1.00 10.00 H new ATOM 0 HD3 ARG B 46 28.419 -1.655 14.154 1.00 10.00 H new ATOM 0 HE ARG B 46 30.924 -2.772 15.485 1.00 10.00 H new ATOM 0 HH11 ARG B 46 30.254 -0.909 12.804 1.00 10.00 H new ATOM 0 HH12 ARG B 46 31.013 0.575 13.391 1.00 10.00 H new ATOM 0 HH21 ARG B 46 31.396 -0.619 16.656 1.00 10.00 H new ATOM 0 HH22 ARG B 46 31.654 0.738 15.553 1.00 10.00 H new TER 1528 ARG B 46