USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 522 hydrogens (10 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 2 LYS NZ :NH3+ 151:sc= -0.658 (180deg=-2.01!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.00471 X(o=0.0047,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 MET CE :methyl 139:sc= -1.86 (180deg=-4.35!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 SER OG : rot 180:sc=0.000502 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= 0.158 K(o=0.16,f=-1.6) USER MOD Single : B 54 ASN : amide:sc=-0.00367 X(o=-0.0037,f=0.38) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 MET CE :methyl -126:sc= -1.68 (180deg=-7.55!) USER MOD Single : B 67 MET CE :methyl 166:sc= -4.24! (180deg=-5.75!) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 20.877 5.921 -5.332 1.00 0.00 C HETATM 2 O ACE A 1 21.615 6.910 -5.395 1.00 0.00 O HETATM 3 CH3 ACE A 1 20.750 4.924 -6.542 1.00 0.00 C HETATM 0 H1 ACE A 1 21.061 3.928 -6.227 1.00 0.00 H new HETATM 0 H2 ACE A 1 19.714 4.891 -6.879 1.00 0.00 H new HETATM 0 H3 ACE A 1 21.387 5.261 -7.360 1.00 0.00 H new ATOM 7 N LYS A 2 20.102 5.690 -4.258 1.00 0.00 N ATOM 8 CA LYS A 2 20.033 6.611 -3.080 1.00 0.00 C ATOM 9 C LYS A 2 19.826 5.778 -1.763 1.00 0.00 C ATOM 10 O LYS A 2 19.645 4.556 -1.798 1.00 0.00 O ATOM 11 CB LYS A 2 18.932 7.698 -3.293 1.00 0.00 C ATOM 12 CG LYS A 2 19.259 9.129 -2.773 1.00 0.00 C ATOM 13 CD LYS A 2 20.368 9.864 -3.560 1.00 0.00 C ATOM 14 CE LYS A 2 21.358 10.561 -2.609 1.00 0.00 C ATOM 15 NZ LYS A 2 21.812 9.590 -1.576 1.00 0.00 N ATOM 0 H LYS A 2 19.504 4.868 -4.169 1.00 0.00 H new ATOM 0 HA LYS A 2 20.977 7.147 -2.978 1.00 0.00 H new ATOM 0 HB2 LYS A 2 18.719 7.763 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 2 18.018 7.358 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 2 18.350 9.729 -2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.558 9.061 -1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.903 9.153 -4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 2 19.918 10.601 -4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 2 22.213 10.940 -3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.882 11.419 -2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.772 9.840 -1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 21.164 9.619 -0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 21.818 8.632 -1.980 1.00 0.00 H new ATOM 29 N SER A 3 19.887 6.442 -0.596 1.00 0.00 N ATOM 30 CA SER A 3 19.502 5.833 0.717 1.00 0.00 C ATOM 31 C SER A 3 18.048 5.236 0.696 1.00 0.00 C ATOM 32 O SER A 3 17.056 5.950 0.872 1.00 0.00 O ATOM 33 CB SER A 3 19.744 6.919 1.791 1.00 0.00 C ATOM 34 OG SER A 3 20.937 6.692 2.549 1.00 0.00 O ATOM 0 H SER A 3 20.200 7.410 -0.522 1.00 0.00 H new ATOM 0 HA SER A 3 20.113 4.961 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.806 7.894 1.308 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.890 6.952 2.467 1.00 0.00 H new ATOM 0 HG SER A 3 21.044 7.406 3.212 1.00 0.00 H new ATOM 40 N GLU A 4 17.932 3.902 0.545 1.00 0.00 N ATOM 41 CA GLU A 4 16.639 3.219 0.223 1.00 0.00 C ATOM 42 C GLU A 4 16.621 1.725 0.723 1.00 0.00 C ATOM 43 O GLU A 4 15.592 1.233 1.197 1.00 0.00 O ATOM 44 CB GLU A 4 16.194 3.448 -1.252 1.00 0.00 C ATOM 45 CG GLU A 4 16.068 4.886 -1.839 1.00 0.00 C ATOM 46 CD GLU A 4 14.732 5.124 -2.514 1.00 0.00 C ATOM 47 OE1 GLU A 4 13.733 5.432 -1.835 1.00 0.00 O ATOM 48 OE2 GLU A 4 14.700 5.202 -3.760 1.00 0.00 O ATOM 0 H GLU A 4 18.720 3.261 0.640 1.00 0.00 H new ATOM 0 HA GLU A 4 15.850 3.700 0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 4 16.896 2.905 -1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 4 15.222 2.969 -1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.202 5.614 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 4 16.869 5.052 -2.559 1.00 0.00 H new ATOM 55 N GLU A 5 17.774 1.035 0.676 1.00 0.00 N ATOM 56 CA GLU A 5 17.912 -0.456 0.761 1.00 0.00 C ATOM 57 C GLU A 5 16.709 -1.201 1.443 1.00 0.00 C ATOM 58 O GLU A 5 15.992 -1.985 0.809 1.00 0.00 O ATOM 59 CB GLU A 5 19.311 -0.796 1.379 1.00 0.00 C ATOM 60 CG GLU A 5 19.529 -2.197 2.033 1.00 0.00 C ATOM 61 CD GLU A 5 20.975 -2.625 2.254 1.00 0.00 C ATOM 62 OE1 GLU A 5 21.888 -1.984 1.694 1.00 0.00 O ATOM 63 OE2 GLU A 5 21.209 -3.581 3.021 1.00 0.00 O ATOM 0 H GLU A 5 18.675 1.503 0.575 1.00 0.00 H new ATOM 0 HA GLU A 5 17.866 -0.854 -0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 5 20.055 -0.681 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 5 19.529 -0.042 2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 5 19.019 -2.207 2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 5 19.043 -2.945 1.407 1.00 0.00 H new ATOM 70 N GLU A 6 16.443 -0.906 2.729 1.00 0.00 N ATOM 71 CA GLU A 6 15.565 -1.752 3.599 1.00 0.00 C ATOM 72 C GLU A 6 14.055 -1.323 3.589 1.00 0.00 C ATOM 73 O GLU A 6 13.171 -2.077 4.012 1.00 0.00 O ATOM 74 CB GLU A 6 16.201 -1.861 5.024 1.00 0.00 C ATOM 75 CG GLU A 6 17.567 -1.154 5.297 1.00 0.00 C ATOM 76 CD GLU A 6 18.403 -1.713 6.441 1.00 0.00 C ATOM 77 OE1 GLU A 6 18.198 -1.297 7.600 1.00 0.00 O ATOM 78 OE2 GLU A 6 19.274 -2.570 6.188 1.00 0.00 O ATOM 0 H GLU A 6 16.820 -0.085 3.203 1.00 0.00 H new ATOM 0 HA GLU A 6 15.525 -2.756 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 6 15.478 -1.468 5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.327 -2.920 5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 6 18.163 -1.198 4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.372 -0.101 5.499 1.00 0.00 H new ATOM 85 N LEU A 7 13.749 -0.132 3.042 1.00 0.00 N ATOM 86 CA LEU A 7 12.355 0.264 2.665 1.00 0.00 C ATOM 87 C LEU A 7 11.985 -0.220 1.217 1.00 0.00 C ATOM 88 O LEU A 7 10.811 -0.419 0.887 1.00 0.00 O ATOM 89 CB LEU A 7 12.185 1.806 2.832 1.00 0.00 C ATOM 90 CG LEU A 7 12.024 2.369 4.270 1.00 0.00 C ATOM 91 CD1 LEU A 7 12.889 3.627 4.450 1.00 0.00 C ATOM 92 CD2 LEU A 7 10.566 2.711 4.621 1.00 0.00 C ATOM 0 H LEU A 7 14.446 0.586 2.845 1.00 0.00 H new ATOM 0 HA LEU A 7 11.655 -0.232 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.051 2.289 2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.312 2.110 2.254 1.00 0.00 H new ATOM 0 HG LEU A 7 12.352 1.580 4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 7 12.766 4.011 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.936 3.376 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.579 4.388 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.518 3.100 5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.192 3.464 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.954 1.812 4.547 1.00 0.00 H new ATOM 104 N ALA A 8 12.996 -0.429 0.354 1.00 0.00 N ATOM 105 CA ALA A 8 12.844 -1.208 -0.916 1.00 0.00 C ATOM 106 C ALA A 8 12.621 -2.750 -0.718 1.00 0.00 C ATOM 107 O ALA A 8 11.741 -3.356 -1.339 1.00 0.00 O ATOM 108 CB ALA A 8 14.106 -0.891 -1.745 1.00 0.00 C ATOM 0 H ALA A 8 13.939 -0.071 0.504 1.00 0.00 H new ATOM 0 HA ALA A 8 11.931 -0.907 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 8 14.064 -1.429 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 8 14.155 0.181 -1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.992 -1.201 -1.191 1.00 0.00 H new ATOM 114 N ASN A 9 13.397 -3.379 0.183 1.00 0.00 N ATOM 115 CA ASN A 9 13.120 -4.754 0.704 1.00 0.00 C ATOM 116 C ASN A 9 11.755 -4.864 1.473 1.00 0.00 C ATOM 117 O ASN A 9 11.030 -5.858 1.352 1.00 0.00 O ATOM 118 CB ASN A 9 14.332 -5.186 1.588 1.00 0.00 C ATOM 119 CG ASN A 9 15.584 -5.645 0.835 1.00 0.00 C ATOM 120 OD1 ASN A 9 15.525 -6.003 -0.336 1.00 0.00 O ATOM 121 ND2 ASN A 9 16.728 -5.661 1.468 1.00 0.00 N ATOM 0 H ASN A 9 14.238 -2.958 0.578 1.00 0.00 H new ATOM 0 HA ASN A 9 13.010 -5.436 -0.139 1.00 0.00 H new ATOM 0 HB2 ASN A 9 14.605 -4.348 2.229 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.009 -5.996 2.242 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.572 -5.972 0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 9 16.776 -5.363 2.442 1.00 0.00 H new ATOM 128 N ALA A 10 11.404 -3.840 2.270 1.00 0.00 N ATOM 129 CA ALA A 10 10.060 -3.704 2.912 1.00 0.00 C ATOM 130 C ALA A 10 8.858 -3.599 1.905 1.00 0.00 C ATOM 131 O ALA A 10 7.814 -4.235 2.086 1.00 0.00 O ATOM 132 CB ALA A 10 10.169 -2.473 3.837 1.00 0.00 C ATOM 0 H ALA A 10 12.038 -3.074 2.496 1.00 0.00 H new ATOM 0 HA ALA A 10 9.820 -4.612 3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.217 -2.312 4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.949 -2.643 4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.418 -1.593 3.244 1.00 0.00 H new ATOM 138 N PHE A 11 9.024 -2.826 0.816 1.00 0.00 N ATOM 139 CA PHE A 11 7.940 -2.560 -0.181 1.00 0.00 C ATOM 140 C PHE A 11 7.661 -3.806 -1.095 1.00 0.00 C ATOM 141 O PHE A 11 6.511 -4.117 -1.426 1.00 0.00 O ATOM 142 CB PHE A 11 8.322 -1.294 -1.020 1.00 0.00 C ATOM 143 CG PHE A 11 7.349 -0.836 -2.128 1.00 0.00 C ATOM 144 CD1 PHE A 11 6.149 -0.206 -1.779 1.00 0.00 C ATOM 145 CD2 PHE A 11 7.648 -1.030 -3.482 1.00 0.00 C ATOM 146 CE1 PHE A 11 5.265 0.223 -2.764 1.00 0.00 C ATOM 147 CE2 PHE A 11 6.762 -0.597 -4.468 1.00 0.00 C ATOM 148 CZ PHE A 11 5.573 0.031 -4.108 1.00 0.00 C ATOM 0 H PHE A 11 9.905 -2.364 0.592 1.00 0.00 H new ATOM 0 HA PHE A 11 7.008 -2.368 0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.454 -0.463 -0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.291 -1.481 -1.483 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.907 -0.052 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.569 -1.517 -3.764 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.339 0.705 -2.486 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.998 -0.749 -5.511 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.889 0.370 -4.872 1.00 0.00 H new ATOM 158 N ARG A 12 8.720 -4.548 -1.467 1.00 0.00 N ATOM 159 CA ARG A 12 8.610 -5.873 -2.152 1.00 0.00 C ATOM 160 C ARG A 12 8.095 -7.013 -1.202 1.00 0.00 C ATOM 161 O ARG A 12 7.332 -7.895 -1.617 1.00 0.00 O ATOM 162 CB ARG A 12 9.972 -6.224 -2.825 1.00 0.00 C ATOM 163 CG ARG A 12 10.323 -5.357 -4.062 1.00 0.00 C ATOM 164 CD ARG A 12 9.555 -4.027 -4.101 1.00 0.00 C ATOM 165 NE ARG A 12 10.432 -3.012 -4.750 1.00 0.00 N ATOM 166 CZ ARG A 12 10.066 -2.174 -5.709 1.00 0.00 C ATOM 167 NH1 ARG A 12 8.878 -2.172 -6.249 1.00 0.00 N ATOM 168 NH2 ARG A 12 10.934 -1.312 -6.129 1.00 0.00 N ATOM 0 H ARG A 12 9.684 -4.255 -1.306 1.00 0.00 H new ATOM 0 HA ARG A 12 7.849 -5.793 -2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.766 -6.117 -2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.955 -7.272 -3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.394 -5.152 -4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.106 -5.922 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.625 -4.140 -4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.287 -3.711 -3.093 1.00 0.00 H new ATOM 0 HE ARG A 12 11.398 -2.958 -4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.174 -2.840 -5.935 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.653 -1.502 -6.985 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.870 -1.291 -5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.683 -0.653 -6.866 1.00 0.00 H new ATOM 182 N ILE A 13 8.560 -7.033 0.058 1.00 0.00 N ATOM 183 CA ILE A 13 8.249 -8.114 1.046 1.00 0.00 C ATOM 184 C ILE A 13 6.717 -8.111 1.393 1.00 0.00 C ATOM 185 O ILE A 13 6.127 -9.150 1.708 1.00 0.00 O ATOM 186 CB ILE A 13 9.176 -8.009 2.327 1.00 0.00 C ATOM 187 CG1 ILE A 13 10.639 -8.520 2.123 1.00 0.00 C ATOM 188 CG2 ILE A 13 8.576 -8.755 3.555 1.00 0.00 C ATOM 189 CD1 ILE A 13 10.866 -10.026 2.362 1.00 0.00 C ATOM 0 H ILE A 13 9.165 -6.304 0.435 1.00 0.00 H new ATOM 0 HA ILE A 13 8.472 -9.081 0.594 1.00 0.00 H new ATOM 0 HB ILE A 13 9.218 -6.936 2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.947 -8.283 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.294 -7.963 2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.249 -8.653 4.407 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.607 -8.324 3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.452 -9.811 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.915 -10.267 2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.598 -10.276 3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.245 -10.601 1.675 1.00 0.00 H new ATOM 201 N PHE A 14 6.072 -6.933 1.334 1.00 0.00 N ATOM 202 CA PHE A 14 4.593 -6.781 1.508 1.00 0.00 C ATOM 203 C PHE A 14 3.831 -7.425 0.294 1.00 0.00 C ATOM 204 O PHE A 14 2.862 -8.172 0.470 1.00 0.00 O ATOM 205 CB PHE A 14 4.246 -5.267 1.647 1.00 0.00 C ATOM 206 CG PHE A 14 4.356 -4.642 3.052 1.00 0.00 C ATOM 207 CD1 PHE A 14 4.235 -5.448 4.189 1.00 0.00 C ATOM 208 CD2 PHE A 14 4.616 -3.276 3.208 1.00 0.00 C ATOM 209 CE1 PHE A 14 4.371 -4.898 5.461 1.00 0.00 C ATOM 210 CE2 PHE A 14 4.750 -2.725 4.480 1.00 0.00 C ATOM 211 CZ PHE A 14 4.632 -3.536 5.605 1.00 0.00 C ATOM 0 H PHE A 14 6.552 -6.049 1.164 1.00 0.00 H new ATOM 0 HA PHE A 14 4.276 -7.301 2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.900 -4.708 0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.226 -5.121 1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.035 -6.504 4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.713 -2.645 2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.274 -5.525 6.335 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.945 -1.669 4.593 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.743 -3.110 6.591 1.00 0.00 H new ATOM 221 N ASP A 15 4.311 -7.187 -0.939 1.00 0.00 N ATOM 222 CA ASP A 15 3.546 -7.476 -2.194 1.00 0.00 C ATOM 223 C ASP A 15 3.401 -9.013 -2.479 1.00 0.00 C ATOM 224 O ASP A 15 4.360 -9.687 -2.870 1.00 0.00 O ATOM 225 CB ASP A 15 4.221 -6.661 -3.342 1.00 0.00 C ATOM 226 CG ASP A 15 3.580 -6.766 -4.724 1.00 0.00 C ATOM 227 OD1 ASP A 15 2.366 -7.043 -4.797 1.00 0.00 O ATOM 228 OD2 ASP A 15 4.283 -6.609 -5.746 1.00 0.00 O ATOM 0 H ASP A 15 5.235 -6.790 -1.108 1.00 0.00 H new ATOM 0 HA ASP A 15 2.509 -7.154 -2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.234 -5.610 -3.052 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.259 -6.982 -3.423 1.00 0.00 H new ATOM 233 N LYS A 16 2.191 -9.569 -2.287 1.00 0.00 N ATOM 234 CA LYS A 16 1.935 -11.043 -2.366 1.00 0.00 C ATOM 235 C LYS A 16 1.503 -11.441 -3.823 1.00 0.00 C ATOM 236 O LYS A 16 0.950 -12.535 -4.036 1.00 0.00 O ATOM 237 CB LYS A 16 0.890 -11.484 -1.282 1.00 0.00 C ATOM 238 CG LYS A 16 -0.161 -10.434 -0.808 1.00 0.00 C ATOM 239 CD LYS A 16 -1.624 -10.810 -1.118 1.00 0.00 C ATOM 240 CE LYS A 16 -2.104 -12.169 -0.586 1.00 0.00 C ATOM 241 NZ LYS A 16 -3.107 -11.881 0.482 1.00 0.00 N ATOM 0 H LYS A 16 1.357 -9.022 -2.073 1.00 0.00 H new ATOM 0 HA LYS A 16 2.857 -11.581 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.348 -12.346 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.441 -11.824 -0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.055 -10.293 0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.063 -9.477 -1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.271 -10.034 -0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.758 -10.799 -2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.549 -12.762 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.269 -12.746 -0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.463 -12.776 0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.659 -11.325 1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.899 -11.341 0.078 1.00 0.00 H new ATOM 255 N ASN A 17 1.800 -10.613 -4.840 1.00 0.00 N ATOM 256 CA ASN A 17 1.481 -10.918 -6.272 1.00 0.00 C ATOM 257 C ASN A 17 2.538 -10.386 -7.304 1.00 0.00 C ATOM 258 O ASN A 17 2.597 -10.839 -8.453 1.00 0.00 O ATOM 259 CB ASN A 17 0.051 -10.382 -6.595 1.00 0.00 C ATOM 260 CG ASN A 17 -0.154 -8.997 -7.239 1.00 0.00 C ATOM 261 OD1 ASN A 17 -1.061 -8.813 -8.039 1.00 0.00 O ATOM 262 ND2 ASN A 17 0.629 -7.997 -6.927 1.00 0.00 N ATOM 0 H ASN A 17 2.265 -9.715 -4.708 1.00 0.00 H new ATOM 0 HA ASN A 17 1.518 -12.002 -6.384 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.422 -11.112 -7.252 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.509 -10.385 -5.660 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.479 -7.081 -7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.390 -8.133 -6.262 1.00 0.00 H new ATOM 269 N ALA A 18 3.371 -9.413 -6.895 1.00 0.00 N ATOM 270 CA ALA A 18 4.676 -9.103 -7.558 1.00 0.00 C ATOM 271 C ALA A 18 4.556 -8.562 -9.028 1.00 0.00 C ATOM 272 O ALA A 18 5.323 -8.948 -9.917 1.00 0.00 O ATOM 273 CB ALA A 18 5.502 -10.403 -7.469 1.00 0.00 C ATOM 0 H ALA A 18 3.170 -8.812 -6.096 1.00 0.00 H new ATOM 0 HA ALA A 18 5.162 -8.273 -7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.474 -10.249 -7.937 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.642 -10.674 -6.423 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.974 -11.205 -7.985 1.00 0.00 H new ATOM 279 N ASP A 19 3.632 -7.616 -9.268 1.00 0.00 N ATOM 280 CA ASP A 19 3.726 -6.625 -10.386 1.00 0.00 C ATOM 281 C ASP A 19 4.682 -5.424 -10.050 1.00 0.00 C ATOM 282 O ASP A 19 5.189 -4.739 -10.945 1.00 0.00 O ATOM 283 CB ASP A 19 2.271 -6.215 -10.767 1.00 0.00 C ATOM 284 CG ASP A 19 1.257 -7.352 -10.887 1.00 0.00 C ATOM 285 OD1 ASP A 19 1.651 -8.506 -11.162 1.00 0.00 O ATOM 286 OD2 ASP A 19 0.054 -7.101 -10.671 1.00 0.00 O ATOM 0 H ASP A 19 2.793 -7.506 -8.699 1.00 0.00 H new ATOM 0 HA ASP A 19 4.199 -7.071 -11.261 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.907 -5.510 -10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.303 -5.683 -11.718 1.00 0.00 H new ATOM 291 N GLY A 20 4.910 -5.155 -8.752 1.00 0.00 N ATOM 292 CA GLY A 20 5.638 -3.932 -8.282 1.00 0.00 C ATOM 293 C GLY A 20 4.937 -3.136 -7.122 1.00 0.00 C ATOM 294 O GLY A 20 5.557 -2.303 -6.452 1.00 0.00 O ATOM 0 H GLY A 20 4.603 -5.765 -7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.633 -4.227 -7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.773 -3.261 -9.131 1.00 0.00 H new ATOM 298 N TYR A 21 3.623 -3.347 -6.931 1.00 0.00 N ATOM 299 CA TYR A 21 2.714 -2.382 -6.236 1.00 0.00 C ATOM 300 C TYR A 21 2.332 -2.877 -4.794 1.00 0.00 C ATOM 301 O TYR A 21 2.622 -4.018 -4.415 1.00 0.00 O ATOM 302 CB TYR A 21 1.404 -2.155 -7.059 1.00 0.00 C ATOM 303 CG TYR A 21 1.560 -1.542 -8.464 1.00 0.00 C ATOM 304 CD1 TYR A 21 1.978 -2.357 -9.526 1.00 0.00 C ATOM 305 CD2 TYR A 21 1.263 -0.201 -8.701 1.00 0.00 C ATOM 306 CE1 TYR A 21 2.112 -1.818 -10.804 1.00 0.00 C ATOM 307 CE2 TYR A 21 1.404 0.335 -9.983 1.00 0.00 C ATOM 308 CZ TYR A 21 1.837 -0.479 -11.029 1.00 0.00 C ATOM 309 OH TYR A 21 2.011 0.046 -12.283 1.00 0.00 O ATOM 0 H TYR A 21 3.147 -4.191 -7.251 1.00 0.00 H new ATOM 0 HA TYR A 21 3.260 -1.443 -6.152 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.898 -3.115 -7.162 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.746 -1.508 -6.478 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.196 -3.401 -9.354 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.923 0.426 -7.890 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.431 -2.446 -11.622 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.179 1.376 -10.163 1.00 0.00 H new ATOM 0 HH TYR A 21 1.774 0.997 -12.275 1.00 0.00 H new ATOM 319 N ILE A 22 1.733 -2.000 -3.970 1.00 0.00 N ATOM 320 CA ILE A 22 0.916 -2.398 -2.781 1.00 0.00 C ATOM 321 C ILE A 22 -0.616 -2.300 -3.116 1.00 0.00 C ATOM 322 O ILE A 22 -1.107 -1.260 -3.569 1.00 0.00 O ATOM 323 CB ILE A 22 1.314 -1.576 -1.486 1.00 0.00 C ATOM 324 CG1 ILE A 22 2.849 -1.497 -1.205 1.00 0.00 C ATOM 325 CG2 ILE A 22 0.620 -2.121 -0.204 1.00 0.00 C ATOM 326 CD1 ILE A 22 3.346 -2.250 0.045 1.00 0.00 C ATOM 0 H ILE A 22 1.794 -0.990 -4.099 1.00 0.00 H new ATOM 0 HA ILE A 22 1.135 -3.440 -2.547 1.00 0.00 H new ATOM 0 HB ILE A 22 0.963 -0.570 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.378 -1.887 -2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.127 -0.448 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.925 -1.525 0.656 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.462 -2.061 -0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.911 -3.160 -0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.425 -2.126 0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.855 -1.848 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.110 -3.310 -0.051 1.00 0.00 H new ATOM 338 N ASP A 23 -1.383 -3.371 -2.845 1.00 0.00 N ATOM 339 CA ASP A 23 -2.790 -3.537 -3.329 1.00 0.00 C ATOM 340 C ASP A 23 -3.846 -3.450 -2.169 1.00 0.00 C ATOM 341 O ASP A 23 -3.498 -3.322 -0.990 1.00 0.00 O ATOM 342 CB ASP A 23 -2.843 -4.855 -4.160 1.00 0.00 C ATOM 343 CG ASP A 23 -2.447 -6.136 -3.426 1.00 0.00 C ATOM 344 OD1 ASP A 23 -1.243 -6.316 -3.152 1.00 0.00 O ATOM 345 OD2 ASP A 23 -3.321 -6.985 -3.148 1.00 0.00 O ATOM 0 H ASP A 23 -1.055 -4.156 -2.283 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.076 -2.707 -3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.857 -4.979 -4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.189 -4.740 -5.025 1.00 0.00 H new ATOM 350 N ILE A 24 -5.145 -3.537 -2.506 1.00 0.00 N ATOM 351 CA ILE A 24 -6.264 -3.496 -1.514 1.00 0.00 C ATOM 352 C ILE A 24 -6.311 -4.833 -0.690 1.00 0.00 C ATOM 353 O ILE A 24 -6.718 -4.854 0.477 1.00 0.00 O ATOM 354 CB ILE A 24 -7.652 -3.146 -2.196 1.00 0.00 C ATOM 355 CG1 ILE A 24 -8.670 -2.402 -1.272 1.00 0.00 C ATOM 356 CG2 ILE A 24 -8.361 -4.406 -2.771 1.00 0.00 C ATOM 357 CD1 ILE A 24 -8.189 -1.063 -0.679 1.00 0.00 C ATOM 0 H ILE A 24 -5.461 -3.638 -3.470 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.070 -2.685 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.367 -2.464 -2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.581 -2.218 -1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.937 -3.066 -0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.307 -4.115 -3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.723 -4.871 -3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.550 -5.116 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.976 -0.637 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.298 -1.232 -0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.952 -0.371 -1.487 1.00 0.00 H new ATOM 369 N GLU A 25 -5.912 -5.958 -1.309 1.00 0.00 N ATOM 370 CA GLU A 25 -5.904 -7.307 -0.663 1.00 0.00 C ATOM 371 C GLU A 25 -4.702 -7.530 0.325 1.00 0.00 C ATOM 372 O GLU A 25 -4.807 -8.276 1.305 1.00 0.00 O ATOM 373 CB GLU A 25 -6.053 -8.410 -1.762 1.00 0.00 C ATOM 374 CG GLU A 25 -7.214 -9.447 -1.634 1.00 0.00 C ATOM 375 CD GLU A 25 -8.530 -8.926 -1.070 1.00 0.00 C ATOM 376 OE1 GLU A 25 -9.331 -8.349 -1.833 1.00 0.00 O ATOM 377 OE2 GLU A 25 -8.775 -9.098 0.142 1.00 0.00 O ATOM 0 H GLU A 25 -5.583 -5.970 -2.274 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.769 -7.378 -0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.165 -7.906 -2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.116 -8.966 -1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.408 -9.866 -2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.872 -10.266 -1.002 1.00 0.00 H new ATOM 384 N GLU A 26 -3.560 -6.868 0.071 1.00 0.00 N ATOM 385 CA GLU A 26 -2.376 -6.879 0.985 1.00 0.00 C ATOM 386 C GLU A 26 -2.616 -6.103 2.333 1.00 0.00 C ATOM 387 O GLU A 26 -2.314 -6.601 3.422 1.00 0.00 O ATOM 388 CB GLU A 26 -1.106 -6.420 0.197 1.00 0.00 C ATOM 389 CG GLU A 26 -0.716 -4.907 0.217 1.00 0.00 C ATOM 390 CD GLU A 26 -0.336 -4.324 1.573 1.00 0.00 C ATOM 391 OE1 GLU A 26 0.453 -4.961 2.301 1.00 0.00 O ATOM 392 OE2 GLU A 26 -0.854 -3.249 1.938 1.00 0.00 O ATOM 0 H GLU A 26 -3.419 -6.307 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.206 -7.903 1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.257 -6.985 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.239 -6.713 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.122 -4.761 -0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.553 -4.333 -0.179 1.00 0.00 H new ATOM 399 N LEU A 27 -3.102 -4.853 2.236 1.00 0.00 N ATOM 400 CA LEU A 27 -3.363 -3.933 3.386 1.00 0.00 C ATOM 401 C LEU A 27 -3.950 -4.692 4.628 1.00 0.00 C ATOM 402 O LEU A 27 -3.434 -4.587 5.747 1.00 0.00 O ATOM 403 CB LEU A 27 -4.293 -2.768 2.907 1.00 0.00 C ATOM 404 CG LEU A 27 -4.777 -1.729 3.952 1.00 0.00 C ATOM 405 CD1 LEU A 27 -6.051 -2.231 4.652 1.00 0.00 C ATOM 406 CD2 LEU A 27 -3.715 -1.408 5.017 1.00 0.00 C ATOM 0 H LEU A 27 -3.334 -4.432 1.337 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.417 -3.510 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.767 -2.227 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.176 -3.215 2.451 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.980 -0.811 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.380 -1.492 5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.837 -2.384 3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.841 -3.173 5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.113 -0.675 5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.451 -2.319 5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.826 -1.002 4.534 1.00 0.00 H new ATOM 418 N GLY A 28 -5.069 -5.416 4.444 1.00 0.00 N ATOM 419 CA GLY A 28 -5.882 -5.971 5.573 1.00 0.00 C ATOM 420 C GLY A 28 -5.375 -7.343 6.148 1.00 0.00 C ATOM 421 O GLY A 28 -5.489 -7.617 7.348 1.00 0.00 O ATOM 0 H GLY A 28 -5.444 -5.639 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.899 -5.240 6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.910 -6.095 5.233 1.00 0.00 H new ATOM 425 N GLU A 29 -4.874 -8.234 5.275 1.00 0.00 N ATOM 426 CA GLU A 29 -4.146 -9.478 5.678 1.00 0.00 C ATOM 427 C GLU A 29 -2.801 -9.208 6.444 1.00 0.00 C ATOM 428 O GLU A 29 -2.485 -9.873 7.437 1.00 0.00 O ATOM 429 CB GLU A 29 -4.010 -10.421 4.437 1.00 0.00 C ATOM 430 CG GLU A 29 -3.801 -11.950 4.674 1.00 0.00 C ATOM 431 CD GLU A 29 -4.600 -12.576 5.810 1.00 0.00 C ATOM 432 OE1 GLU A 29 -4.104 -12.595 6.955 1.00 0.00 O ATOM 433 OE2 GLU A 29 -5.710 -13.090 5.559 1.00 0.00 O ATOM 0 H GLU A 29 -4.956 -8.123 4.264 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.741 -10.000 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.908 -10.301 3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.172 -10.062 3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.049 -12.475 3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.742 -12.124 4.865 1.00 0.00 H new ATOM 440 N ILE A 30 -1.975 -8.273 5.941 1.00 0.00 N ATOM 441 CA ILE A 30 -0.709 -7.844 6.616 1.00 0.00 C ATOM 442 C ILE A 30 -1.028 -7.202 8.014 1.00 0.00 C ATOM 443 O ILE A 30 -0.707 -7.757 9.070 1.00 0.00 O ATOM 444 CB ILE A 30 0.164 -6.898 5.690 1.00 0.00 C ATOM 445 CG1 ILE A 30 0.841 -7.611 4.475 1.00 0.00 C ATOM 446 CG2 ILE A 30 1.273 -6.153 6.487 1.00 0.00 C ATOM 447 CD1 ILE A 30 2.315 -8.021 4.669 1.00 0.00 C ATOM 0 H ILE A 30 -2.153 -7.788 5.061 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.097 -8.728 6.794 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.568 -6.192 5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.264 -8.504 4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.779 -6.950 3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.844 -5.518 5.809 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.814 -5.538 7.261 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.940 -6.881 6.950 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.680 -8.506 3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.915 -7.134 4.873 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.393 -8.713 5.508 1.00 0.00 H new ATOM 459 N LEU A 31 -1.723 -6.045 8.015 1.00 0.00 N ATOM 460 CA LEU A 31 -2.113 -5.330 9.272 1.00 0.00 C ATOM 461 C LEU A 31 -2.793 -6.303 10.302 1.00 0.00 C ATOM 462 O LEU A 31 -2.767 -6.072 11.516 1.00 0.00 O ATOM 463 CB LEU A 31 -3.021 -4.107 8.934 1.00 0.00 C ATOM 464 CG LEU A 31 -4.475 -4.388 8.469 1.00 0.00 C ATOM 465 CD1 LEU A 31 -5.371 -4.694 9.680 1.00 0.00 C ATOM 466 CD2 LEU A 31 -5.088 -3.222 7.675 1.00 0.00 C ATOM 0 H LEU A 31 -2.031 -5.577 7.163 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.209 -4.955 9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.070 -3.472 9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.526 -3.529 8.154 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.423 -5.250 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.388 -4.889 9.340 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.989 -5.570 10.203 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.372 -3.840 10.357 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.105 -3.479 7.378 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.107 -2.328 8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.487 -3.032 6.786 1.00 0.00 H new ATOM 478 N ARG A 32 -3.356 -7.424 9.817 1.00 0.00 N ATOM 479 CA ARG A 32 -3.775 -8.575 10.679 1.00 0.00 C ATOM 480 C ARG A 32 -2.559 -9.529 10.966 1.00 0.00 C ATOM 481 O ARG A 32 -1.909 -9.441 12.013 1.00 0.00 O ATOM 482 CB ARG A 32 -4.985 -9.194 9.919 1.00 0.00 C ATOM 483 CG ARG A 32 -5.782 -10.257 10.706 1.00 0.00 C ATOM 484 CD ARG A 32 -7.221 -10.398 10.174 1.00 0.00 C ATOM 485 NE ARG A 32 -7.956 -9.134 10.459 1.00 0.00 N ATOM 486 CZ ARG A 32 -8.674 -8.884 11.547 1.00 0.00 C ATOM 487 NH1 ARG A 32 -8.836 -9.734 12.522 1.00 0.00 N ATOM 488 NH2 ARG A 32 -9.249 -7.728 11.648 1.00 0.00 N ATOM 0 H ARG A 32 -3.538 -7.570 8.824 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.091 -8.305 11.687 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.664 -8.391 9.635 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.621 -9.645 8.996 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.273 -11.218 10.638 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.809 -9.985 11.761 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.211 -10.597 9.102 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.720 -11.242 10.650 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.903 -8.396 9.757 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.397 -10.654 12.475 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.401 -9.479 13.332 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.143 -7.039 10.903 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.807 -7.506 12.472 1.00 0.00 H new ATOM 502 N ALA A 33 -2.238 -10.427 10.017 1.00 0.00 N ATOM 503 CA ALA A 33 -1.424 -11.654 10.288 1.00 0.00 C ATOM 504 C ALA A 33 0.126 -11.409 10.366 1.00 0.00 C ATOM 505 O ALA A 33 0.587 -10.291 10.619 1.00 0.00 O ATOM 506 CB ALA A 33 -1.813 -12.658 9.183 1.00 0.00 C ATOM 0 H ALA A 33 -2.527 -10.335 9.043 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.648 -12.036 11.284 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.253 -13.583 9.319 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.881 -12.868 9.242 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.580 -12.233 8.207 1.00 0.00 H new ATOM 512 N THR A 34 0.932 -12.469 10.181 1.00 0.00 N ATOM 513 CA THR A 34 2.422 -12.388 10.079 1.00 0.00 C ATOM 514 C THR A 34 2.956 -13.536 9.148 1.00 0.00 C ATOM 515 O THR A 34 2.349 -14.607 9.037 1.00 0.00 O ATOM 516 CB THR A 34 3.068 -12.413 11.504 1.00 0.00 C ATOM 517 OG1 THR A 34 2.715 -13.553 12.282 1.00 0.00 O ATOM 518 CG2 THR A 34 2.610 -11.204 12.336 1.00 0.00 C ATOM 0 H THR A 34 0.576 -13.421 10.096 1.00 0.00 H new ATOM 0 HA THR A 34 2.710 -11.441 9.622 1.00 0.00 H new ATOM 0 HB THR A 34 4.140 -12.415 11.306 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.155 -13.502 13.156 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.073 -11.245 13.322 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.906 -10.283 11.834 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.525 -11.226 12.443 1.00 0.00 H new ATOM 526 N GLY A 35 4.111 -13.318 8.493 1.00 0.00 N ATOM 527 CA GLY A 35 4.907 -14.409 7.846 1.00 0.00 C ATOM 528 C GLY A 35 6.307 -13.969 7.283 1.00 0.00 C ATOM 529 O GLY A 35 7.352 -14.225 7.891 1.00 0.00 O ATOM 0 H GLY A 35 4.527 -12.392 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.060 -15.206 8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.320 -14.830 7.029 1.00 0.00 H new HETATM 533 N NH2 A 36 6.322 -13.269 6.134 1.00 0.00 N TER 536 NH2 A 36 HETATM 537 C ACE B 37 -15.391 -9.347 10.593 1.00 0.00 C HETATM 538 O ACE B 37 -15.139 -9.973 9.558 1.00 0.00 O HETATM 539 CH3 ACE B 37 -16.466 -9.868 11.616 1.00 0.00 C HETATM 0 H1 ACE B 37 -15.994 -10.039 12.584 1.00 0.00 H new HETATM 0 H2 ACE B 37 -17.256 -9.125 11.724 1.00 0.00 H new HETATM 0 H3 ACE B 37 -16.893 -10.802 11.251 1.00 0.00 H new ATOM 543 N VAL B 38 -14.809 -8.164 10.859 1.00 0.00 N ATOM 544 CA VAL B 38 -13.914 -7.454 9.892 1.00 0.00 C ATOM 545 C VAL B 38 -14.736 -7.136 8.592 1.00 0.00 C ATOM 546 O VAL B 38 -14.640 -7.842 7.583 1.00 0.00 O ATOM 547 CB VAL B 38 -12.599 -8.275 9.629 1.00 0.00 C ATOM 548 CG1 VAL B 38 -11.335 -7.388 9.498 1.00 0.00 C ATOM 549 CG2 VAL B 38 -12.286 -9.311 10.737 1.00 0.00 C ATOM 0 H VAL B 38 -14.936 -7.666 11.740 1.00 0.00 H new ATOM 0 HA VAL B 38 -13.574 -6.506 10.309 1.00 0.00 H new ATOM 0 HB VAL B 38 -12.813 -8.778 8.686 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -10.465 -8.019 9.318 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -11.461 -6.696 8.665 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -11.189 -6.824 10.419 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -11.366 -9.841 10.490 1.00 0.00 H new ATOM 0 HG22 VAL B 38 -12.165 -8.798 11.691 1.00 0.00 H new ATOM 0 HG23 VAL B 38 -13.107 -10.024 10.810 1.00 0.00 H new ATOM 559 N THR B 39 -15.526 -6.047 8.608 1.00 0.00 N ATOM 560 CA THR B 39 -16.479 -5.707 7.504 1.00 0.00 C ATOM 561 C THR B 39 -15.703 -5.002 6.334 1.00 0.00 C ATOM 562 O THR B 39 -14.632 -4.419 6.534 1.00 0.00 O ATOM 563 CB THR B 39 -17.667 -4.849 8.051 1.00 0.00 C ATOM 564 OG1 THR B 39 -17.897 -3.645 7.325 1.00 0.00 O ATOM 565 CG2 THR B 39 -17.399 -4.397 9.496 1.00 0.00 C ATOM 0 H THR B 39 -15.532 -5.374 9.375 1.00 0.00 H new ATOM 0 HA THR B 39 -16.918 -6.619 7.099 1.00 0.00 H new ATOM 0 HB THR B 39 -18.530 -5.509 7.961 1.00 0.00 H new ATOM 0 HG1 THR B 39 -18.653 -3.163 7.721 1.00 0.00 H new ATOM 0 HG21 THR B 39 -18.240 -3.802 9.853 1.00 0.00 H new ATOM 0 HG22 THR B 39 -17.277 -5.272 10.134 1.00 0.00 H new ATOM 0 HG23 THR B 39 -16.490 -3.796 9.527 1.00 0.00 H new ATOM 573 N GLU B 40 -16.243 -5.066 5.104 1.00 0.00 N ATOM 574 CA GLU B 40 -15.559 -4.571 3.868 1.00 0.00 C ATOM 575 C GLU B 40 -15.601 -3.010 3.700 1.00 0.00 C ATOM 576 O GLU B 40 -14.637 -2.388 3.241 1.00 0.00 O ATOM 577 CB GLU B 40 -16.084 -5.372 2.631 1.00 0.00 C ATOM 578 CG GLU B 40 -15.302 -5.271 1.283 1.00 0.00 C ATOM 579 CD GLU B 40 -16.141 -5.270 0.010 1.00 0.00 C ATOM 580 OE1 GLU B 40 -16.536 -4.179 -0.449 1.00 0.00 O ATOM 581 OE2 GLU B 40 -16.406 -6.357 -0.542 1.00 0.00 O ATOM 0 H GLU B 40 -17.166 -5.461 4.925 1.00 0.00 H new ATOM 0 HA GLU B 40 -14.491 -4.768 3.962 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -16.123 -6.424 2.912 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -17.109 -5.054 2.443 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -14.707 -4.358 1.301 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -14.603 -6.106 1.230 1.00 0.00 H new ATOM 588 N GLU B 41 -16.747 -2.382 4.019 1.00 0.00 N ATOM 589 CA GLU B 41 -16.915 -0.896 3.952 1.00 0.00 C ATOM 590 C GLU B 41 -16.095 -0.113 5.039 1.00 0.00 C ATOM 591 O GLU B 41 -15.731 1.053 4.852 1.00 0.00 O ATOM 592 CB GLU B 41 -18.440 -0.549 3.915 1.00 0.00 C ATOM 593 CG GLU B 41 -19.355 -1.049 5.078 1.00 0.00 C ATOM 594 CD GLU B 41 -20.804 -0.580 5.051 1.00 0.00 C ATOM 595 OE1 GLU B 41 -21.104 0.494 5.612 1.00 0.00 O ATOM 596 OE2 GLU B 41 -21.646 -1.263 4.432 1.00 0.00 O ATOM 0 H GLU B 41 -17.584 -2.875 4.330 1.00 0.00 H new ATOM 0 HA GLU B 41 -16.471 -0.541 3.022 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -18.530 0.536 3.868 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -18.846 -0.944 2.983 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -19.349 -2.139 5.073 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -18.911 -0.732 6.022 1.00 0.00 H new ATOM 603 N ASP B 42 -15.791 -0.764 6.177 1.00 0.00 N ATOM 604 CA ASP B 42 -14.720 -0.310 7.121 1.00 0.00 C ATOM 605 C ASP B 42 -13.354 -0.031 6.396 1.00 0.00 C ATOM 606 O ASP B 42 -12.807 1.077 6.451 1.00 0.00 O ATOM 607 CB ASP B 42 -14.644 -1.355 8.275 1.00 0.00 C ATOM 608 CG ASP B 42 -15.641 -1.176 9.419 1.00 0.00 C ATOM 609 OD1 ASP B 42 -16.374 -0.164 9.448 1.00 0.00 O ATOM 610 OD2 ASP B 42 -15.672 -2.036 10.322 1.00 0.00 O ATOM 0 H ASP B 42 -16.269 -1.614 6.478 1.00 0.00 H new ATOM 0 HA ASP B 42 -14.968 0.661 7.549 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -14.789 -2.347 7.848 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -13.637 -1.331 8.692 1.00 0.00 H new ATOM 615 N ILE B 43 -12.770 -1.062 5.757 1.00 0.00 N ATOM 616 CA ILE B 43 -11.421 -0.980 5.116 1.00 0.00 C ATOM 617 C ILE B 43 -11.464 -0.013 3.878 1.00 0.00 C ATOM 618 O ILE B 43 -10.547 0.785 3.657 1.00 0.00 O ATOM 619 CB ILE B 43 -10.846 -2.414 4.757 1.00 0.00 C ATOM 620 CG1 ILE B 43 -10.266 -3.207 5.972 1.00 0.00 C ATOM 621 CG2 ILE B 43 -9.749 -2.353 3.655 1.00 0.00 C ATOM 622 CD1 ILE B 43 -10.362 -4.743 5.883 1.00 0.00 C ATOM 0 H ILE B 43 -13.209 -1.978 5.664 1.00 0.00 H new ATOM 0 HA ILE B 43 -10.723 -0.557 5.838 1.00 0.00 H new ATOM 0 HB ILE B 43 -11.723 -2.950 4.394 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -9.217 -2.934 6.091 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -10.785 -2.882 6.874 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -9.388 -3.360 3.445 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -10.169 -1.922 2.747 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -8.920 -1.735 4.000 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -9.929 -5.187 6.779 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -11.408 -5.038 5.801 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -9.817 -5.091 5.006 1.00 0.00 H new ATOM 634 N GLU B 44 -12.537 -0.083 3.071 1.00 0.00 N ATOM 635 CA GLU B 44 -12.639 0.625 1.757 1.00 0.00 C ATOM 636 C GLU B 44 -12.909 2.168 1.892 1.00 0.00 C ATOM 637 O GLU B 44 -12.362 2.985 1.144 1.00 0.00 O ATOM 638 CB GLU B 44 -13.651 -0.132 0.836 1.00 0.00 C ATOM 639 CG GLU B 44 -14.866 0.652 0.247 1.00 0.00 C ATOM 640 CD GLU B 44 -14.815 0.964 -1.243 1.00 0.00 C ATOM 641 OE1 GLU B 44 -15.268 0.125 -2.049 1.00 0.00 O ATOM 642 OE2 GLU B 44 -14.311 2.041 -1.621 1.00 0.00 O ATOM 0 H GLU B 44 -13.367 -0.630 3.301 1.00 0.00 H new ATOM 0 HA GLU B 44 -11.664 0.594 1.270 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -13.089 -0.546 -0.001 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -14.046 -0.975 1.403 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -15.771 0.078 0.445 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -14.961 1.593 0.790 1.00 0.00 H new ATOM 649 N ASP B 45 -13.709 2.567 2.898 1.00 0.00 N ATOM 650 CA ASP B 45 -13.831 3.990 3.347 1.00 0.00 C ATOM 651 C ASP B 45 -12.527 4.518 4.046 1.00 0.00 C ATOM 652 O ASP B 45 -12.259 5.724 4.077 1.00 0.00 O ATOM 653 CB ASP B 45 -15.123 4.094 4.213 1.00 0.00 C ATOM 654 CG ASP B 45 -16.445 3.819 3.495 1.00 0.00 C ATOM 655 OD1 ASP B 45 -16.437 3.058 2.507 1.00 0.00 O ATOM 656 OD2 ASP B 45 -17.501 4.329 3.927 1.00 0.00 O ATOM 0 H ASP B 45 -14.294 1.922 3.430 1.00 0.00 H new ATOM 0 HA ASP B 45 -13.932 4.658 2.492 1.00 0.00 H new ATOM 0 HB2 ASP B 45 -15.034 3.396 5.045 1.00 0.00 H new ATOM 0 HB3 ASP B 45 -15.168 5.095 4.641 1.00 0.00 H new ATOM 661 N LEU B 46 -11.734 3.612 4.646 1.00 0.00 N ATOM 662 CA LEU B 46 -10.384 3.937 5.205 1.00 0.00 C ATOM 663 C LEU B 46 -9.278 4.131 4.108 1.00 0.00 C ATOM 664 O LEU B 46 -8.465 5.060 4.167 1.00 0.00 O ATOM 665 CB LEU B 46 -9.994 2.832 6.247 1.00 0.00 C ATOM 666 CG LEU B 46 -8.674 2.980 7.042 1.00 0.00 C ATOM 667 CD1 LEU B 46 -8.707 4.238 7.922 1.00 0.00 C ATOM 668 CD2 LEU B 46 -8.361 1.756 7.917 1.00 0.00 C ATOM 0 H LEU B 46 -11.998 2.634 4.763 1.00 0.00 H new ATOM 0 HA LEU B 46 -10.446 4.906 5.700 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -10.807 2.760 6.970 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -9.954 1.880 5.717 1.00 0.00 H new ATOM 0 HG LEU B 46 -7.881 3.066 6.299 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -7.770 4.322 8.472 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -8.839 5.118 7.293 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -9.536 4.168 8.627 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -7.424 1.919 8.449 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -9.166 1.608 8.637 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -8.270 0.872 7.286 1.00 0.00 H new ATOM 680 N MET B 47 -9.213 3.212 3.125 1.00 0.00 N ATOM 681 CA MET B 47 -8.374 3.387 1.897 1.00 0.00 C ATOM 682 C MET B 47 -8.932 4.517 0.957 1.00 0.00 C ATOM 683 O MET B 47 -8.313 4.876 -0.050 1.00 0.00 O ATOM 684 CB MET B 47 -8.271 2.031 1.148 1.00 0.00 C ATOM 685 CG MET B 47 -6.926 1.777 0.443 1.00 0.00 C ATOM 686 SD MET B 47 -7.066 2.160 -1.309 1.00 0.00 S ATOM 687 CE MET B 47 -5.334 1.977 -1.758 1.00 0.00 C ATOM 0 H MET B 47 -9.730 2.333 3.147 1.00 0.00 H new ATOM 0 HA MET B 47 -7.377 3.706 2.203 1.00 0.00 H new ATOM 0 HB2 MET B 47 -8.448 1.225 1.860 1.00 0.00 H new ATOM 0 HB3 MET B 47 -9.068 1.982 0.406 1.00 0.00 H new ATOM 0 HG2 MET B 47 -6.147 2.390 0.896 1.00 0.00 H new ATOM 0 HG3 MET B 47 -6.629 0.736 0.573 1.00 0.00 H new ATOM 0 HE1 MET B 47 -5.259 1.466 -2.718 1.00 0.00 H new ATOM 0 HE2 MET B 47 -4.872 2.961 -1.834 1.00 0.00 H new ATOM 0 HE3 MET B 47 -4.820 1.392 -0.995 1.00 0.00 H new ATOM 697 N LYS B 48 -10.139 5.030 1.255 1.00 0.00 N ATOM 698 CA LYS B 48 -10.690 6.271 0.623 1.00 0.00 C ATOM 699 C LYS B 48 -10.313 7.533 1.482 1.00 0.00 C ATOM 700 O LYS B 48 -10.250 8.656 0.965 1.00 0.00 O ATOM 701 CB LYS B 48 -12.225 6.049 0.414 1.00 0.00 C ATOM 702 CG LYS B 48 -13.085 7.298 0.060 1.00 0.00 C ATOM 703 CD LYS B 48 -13.878 7.915 1.249 1.00 0.00 C ATOM 704 CE LYS B 48 -15.119 8.753 0.869 1.00 0.00 C ATOM 705 NZ LYS B 48 -15.927 9.062 2.083 1.00 0.00 N ATOM 0 H LYS B 48 -10.769 4.607 1.937 1.00 0.00 H new ATOM 0 HA LYS B 48 -10.252 6.468 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -12.355 5.314 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.629 5.608 1.325 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -12.430 8.064 -0.356 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -13.791 7.023 -0.723 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -14.197 7.106 1.907 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -13.200 8.545 1.825 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -14.807 9.679 0.386 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -15.728 8.207 0.148 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -16.758 9.626 1.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -16.240 8.175 2.527 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -15.348 9.601 2.758 1.00 0.00 H new ATOM 719 N ASP B 49 -10.125 7.364 2.808 1.00 0.00 N ATOM 720 CA ASP B 49 -9.594 8.455 3.690 1.00 0.00 C ATOM 721 C ASP B 49 -8.099 8.815 3.363 1.00 0.00 C ATOM 722 O ASP B 49 -7.765 9.966 3.060 1.00 0.00 O ATOM 723 CB ASP B 49 -9.853 8.049 5.173 1.00 0.00 C ATOM 724 CG ASP B 49 -9.276 8.979 6.239 1.00 0.00 C ATOM 725 OD1 ASP B 49 -8.561 9.945 5.896 1.00 0.00 O ATOM 726 OD2 ASP B 49 -9.524 8.735 7.437 1.00 0.00 O ATOM 0 H ASP B 49 -10.328 6.494 3.300 1.00 0.00 H new ATOM 0 HA ASP B 49 -10.124 9.388 3.499 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -10.930 7.980 5.326 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -9.444 7.051 5.331 1.00 0.00 H new ATOM 731 N SER B 50 -7.192 7.825 3.441 1.00 0.00 N ATOM 732 CA SER B 50 -5.729 8.028 3.195 1.00 0.00 C ATOM 733 C SER B 50 -5.403 8.373 1.698 1.00 0.00 C ATOM 734 O SER B 50 -4.559 9.227 1.406 1.00 0.00 O ATOM 735 CB SER B 50 -4.974 6.739 3.645 1.00 0.00 C ATOM 736 OG SER B 50 -5.483 6.210 4.876 1.00 0.00 O ATOM 0 H SER B 50 -7.437 6.863 3.674 1.00 0.00 H new ATOM 0 HA SER B 50 -5.398 8.889 3.776 1.00 0.00 H new ATOM 0 HB2 SER B 50 -5.057 5.982 2.865 1.00 0.00 H new ATOM 0 HB3 SER B 50 -3.914 6.964 3.760 1.00 0.00 H new ATOM 0 HG SER B 50 -4.982 5.403 5.117 1.00 0.00 H new ATOM 742 N ASP B 51 -6.109 7.736 0.745 1.00 0.00 N ATOM 743 CA ASP B 51 -5.846 7.899 -0.720 1.00 0.00 C ATOM 744 C ASP B 51 -6.275 9.311 -1.259 1.00 0.00 C ATOM 745 O ASP B 51 -7.180 9.956 -0.716 1.00 0.00 O ATOM 746 CB ASP B 51 -6.512 6.693 -1.449 1.00 0.00 C ATOM 747 CG ASP B 51 -6.050 6.428 -2.882 1.00 0.00 C ATOM 748 OD1 ASP B 51 -4.868 6.084 -3.097 1.00 0.00 O ATOM 749 OD2 ASP B 51 -6.869 6.587 -3.809 1.00 0.00 O ATOM 0 H ASP B 51 -6.875 7.096 0.954 1.00 0.00 H new ATOM 0 HA ASP B 51 -4.776 7.879 -0.925 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -6.330 5.794 -0.859 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -7.590 6.854 -1.461 1.00 0.00 H new ATOM 754 N LYS B 52 -5.580 9.822 -2.291 1.00 0.00 N ATOM 755 CA LYS B 52 -6.109 10.896 -3.192 1.00 0.00 C ATOM 756 C LYS B 52 -7.090 10.275 -4.252 1.00 0.00 C ATOM 757 O LYS B 52 -8.215 9.877 -3.920 1.00 0.00 O ATOM 758 CB LYS B 52 -4.881 11.661 -3.789 1.00 0.00 C ATOM 759 CG LYS B 52 -4.182 12.712 -2.877 1.00 0.00 C ATOM 760 CD LYS B 52 -4.086 12.324 -1.374 1.00 0.00 C ATOM 761 CE LYS B 52 -3.063 13.123 -0.535 1.00 0.00 C ATOM 762 NZ LYS B 52 -3.631 13.443 0.806 1.00 0.00 N ATOM 0 H LYS B 52 -4.639 9.513 -2.534 1.00 0.00 H new ATOM 0 HA LYS B 52 -6.713 11.629 -2.657 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -4.136 10.923 -4.086 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -5.208 12.167 -4.697 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -3.175 12.886 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -4.721 13.656 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -5.071 12.446 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -3.834 11.266 -1.307 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -2.146 12.545 -0.421 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -2.797 14.044 -1.054 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -2.933 13.980 1.359 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -4.494 14.012 0.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -3.863 12.560 1.304 1.00 0.00 H new ATOM 776 N ASN B 53 -6.688 10.218 -5.535 1.00 0.00 N ATOM 777 CA ASN B 53 -7.638 10.191 -6.692 1.00 0.00 C ATOM 778 C ASN B 53 -8.406 8.828 -6.838 1.00 0.00 C ATOM 779 O ASN B 53 -9.430 8.741 -7.526 1.00 0.00 O ATOM 780 CB ASN B 53 -6.837 10.556 -7.981 1.00 0.00 C ATOM 781 CG ASN B 53 -5.577 9.727 -8.249 1.00 0.00 C ATOM 782 OD1 ASN B 53 -4.555 9.896 -7.594 1.00 0.00 O ATOM 783 ND2 ASN B 53 -5.608 8.826 -9.196 1.00 0.00 N ATOM 0 H ASN B 53 -5.706 10.189 -5.811 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.424 10.926 -6.518 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.503 10.456 -8.838 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -6.551 11.606 -7.921 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -4.781 8.262 -9.391 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -6.460 8.687 -9.740 1.00 0.00 H new ATOM 790 N ASN B 54 -7.872 7.747 -6.244 1.00 0.00 N ATOM 791 CA ASN B 54 -8.476 6.380 -6.308 1.00 0.00 C ATOM 792 C ASN B 54 -8.517 5.787 -7.762 1.00 0.00 C ATOM 793 O ASN B 54 -9.577 5.705 -8.393 1.00 0.00 O ATOM 794 CB ASN B 54 -9.895 6.449 -5.659 1.00 0.00 C ATOM 795 CG ASN B 54 -9.934 6.465 -4.128 1.00 0.00 C ATOM 796 OD1 ASN B 54 -9.767 7.504 -3.500 1.00 0.00 O ATOM 797 ND2 ASN B 54 -10.112 5.336 -3.493 1.00 0.00 N ATOM 0 H ASN B 54 -7.008 7.783 -5.702 1.00 0.00 H new ATOM 0 HA ASN B 54 -7.844 5.688 -5.751 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -10.397 7.345 -6.025 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.474 5.594 -6.008 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -10.112 5.319 -2.473 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -10.251 4.472 -4.017 1.00 0.00 H new ATOM 804 N ASP B 55 -7.350 5.393 -8.304 1.00 0.00 N ATOM 805 CA ASP B 55 -7.252 4.399 -9.419 1.00 0.00 C ATOM 806 C ASP B 55 -7.087 2.923 -8.909 1.00 0.00 C ATOM 807 O ASP B 55 -6.901 1.993 -9.711 1.00 0.00 O ATOM 808 CB ASP B 55 -6.121 4.887 -10.375 1.00 0.00 C ATOM 809 CG ASP B 55 -6.570 5.630 -11.633 1.00 0.00 C ATOM 810 OD1 ASP B 55 -7.548 6.400 -11.552 1.00 0.00 O ATOM 811 OD2 ASP B 55 -5.934 5.480 -12.699 1.00 0.00 O ATOM 0 H ASP B 55 -6.445 5.746 -7.992 1.00 0.00 H new ATOM 0 HA ASP B 55 -8.187 4.354 -9.977 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -5.455 5.540 -9.811 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -5.534 4.021 -10.681 1.00 0.00 H new ATOM 816 N GLY B 56 -7.217 2.675 -7.593 1.00 0.00 N ATOM 817 CA GLY B 56 -7.450 1.301 -7.039 1.00 0.00 C ATOM 818 C GLY B 56 -6.184 0.596 -6.432 1.00 0.00 C ATOM 819 O GLY B 56 -6.285 -0.456 -5.788 1.00 0.00 O ATOM 0 H GLY B 56 -7.166 3.402 -6.880 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -8.215 1.364 -6.266 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -7.850 0.671 -7.833 1.00 0.00 H new ATOM 823 N ARG B 57 -4.995 1.209 -6.578 1.00 0.00 N ATOM 824 CA ARG B 57 -3.680 0.531 -6.355 1.00 0.00 C ATOM 825 C ARG B 57 -2.503 1.519 -6.031 1.00 0.00 C ATOM 826 O ARG B 57 -2.410 2.613 -6.598 1.00 0.00 O ATOM 827 CB ARG B 57 -3.384 -0.347 -7.605 1.00 0.00 C ATOM 828 CG ARG B 57 -4.229 -1.640 -7.684 1.00 0.00 C ATOM 829 CD ARG B 57 -3.685 -2.654 -8.702 1.00 0.00 C ATOM 830 NE ARG B 57 -4.301 -2.325 -10.018 1.00 0.00 N ATOM 831 CZ ARG B 57 -4.846 -3.160 -10.885 1.00 0.00 C ATOM 832 NH1 ARG B 57 -4.837 -4.450 -10.739 1.00 0.00 N ATOM 833 NH2 ARG B 57 -5.420 -2.671 -11.932 1.00 0.00 N ATOM 0 H ARG B 57 -4.906 2.187 -6.853 1.00 0.00 H new ATOM 0 HA ARG B 57 -3.753 -0.089 -5.462 1.00 0.00 H new ATOM 0 HB2 ARG B 57 -3.562 0.246 -8.502 1.00 0.00 H new ATOM 0 HB3 ARG B 57 -2.328 -0.616 -7.605 1.00 0.00 H new ATOM 0 HG2 ARG B 57 -4.263 -2.106 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG B 57 -5.254 -1.381 -7.950 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -2.598 -2.597 -8.760 1.00 0.00 H new ATOM 0 HD3 ARG B 57 -3.935 -3.672 -8.403 1.00 0.00 H new ATOM 0 HE ARG B 57 -4.302 -1.339 -10.281 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -4.393 -4.868 -9.921 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -5.274 -5.046 -11.442 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -5.445 -1.661 -12.075 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -5.848 -3.294 -12.617 1.00 0.00 H new ATOM 847 N ILE B 58 -1.599 1.132 -5.114 1.00 0.00 N ATOM 848 CA ILE B 58 -0.638 2.067 -4.445 1.00 0.00 C ATOM 849 C ILE B 58 0.818 1.817 -4.974 1.00 0.00 C ATOM 850 O ILE B 58 1.343 0.699 -4.905 1.00 0.00 O ATOM 851 CB ILE B 58 -0.747 1.987 -2.864 1.00 0.00 C ATOM 852 CG1 ILE B 58 -2.090 2.546 -2.291 1.00 0.00 C ATOM 853 CG2 ILE B 58 0.428 2.713 -2.147 1.00 0.00 C ATOM 854 CD1 ILE B 58 -2.286 2.411 -0.768 1.00 0.00 C ATOM 0 H ILE B 58 -1.503 0.164 -4.806 1.00 0.00 H new ATOM 0 HA ILE B 58 -0.906 3.091 -4.706 1.00 0.00 H new ATOM 0 HB ILE B 58 -0.704 0.918 -2.657 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -2.162 3.601 -2.554 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -2.914 2.036 -2.790 1.00 0.00 H new ATOM 0 HG21 ILE B 58 0.304 2.628 -1.067 1.00 0.00 H new ATOM 0 HG22 ILE B 58 1.372 2.255 -2.441 1.00 0.00 H new ATOM 0 HG23 ILE B 58 0.432 3.766 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -3.251 2.832 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -2.255 1.358 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -1.491 2.947 -0.250 1.00 0.00 H new ATOM 866 N ASP B 59 1.496 2.874 -5.456 1.00 0.00 N ATOM 867 CA ASP B 59 2.929 2.824 -5.885 1.00 0.00 C ATOM 868 C ASP B 59 3.912 3.358 -4.783 1.00 0.00 C ATOM 869 O ASP B 59 3.488 3.868 -3.738 1.00 0.00 O ATOM 870 CB ASP B 59 3.030 3.559 -7.256 1.00 0.00 C ATOM 871 CG ASP B 59 2.714 5.054 -7.246 1.00 0.00 C ATOM 872 OD1 ASP B 59 2.522 5.639 -6.158 1.00 0.00 O ATOM 873 OD2 ASP B 59 2.664 5.659 -8.336 1.00 0.00 O ATOM 0 H ASP B 59 1.075 3.797 -5.564 1.00 0.00 H new ATOM 0 HA ASP B 59 3.255 1.792 -6.018 1.00 0.00 H new ATOM 0 HB2 ASP B 59 4.040 3.425 -7.643 1.00 0.00 H new ATOM 0 HB3 ASP B 59 2.353 3.071 -7.957 1.00 0.00 H new ATOM 878 N PHE B 60 5.232 3.298 -5.039 1.00 0.00 N ATOM 879 CA PHE B 60 6.282 3.387 -3.976 1.00 0.00 C ATOM 880 C PHE B 60 6.292 4.792 -3.274 1.00 0.00 C ATOM 881 O PHE B 60 6.507 4.912 -2.063 1.00 0.00 O ATOM 882 CB PHE B 60 7.679 3.051 -4.593 1.00 0.00 C ATOM 883 CG PHE B 60 8.882 2.946 -3.629 1.00 0.00 C ATOM 884 CD1 PHE B 60 9.151 1.762 -2.933 1.00 0.00 C ATOM 885 CD2 PHE B 60 9.718 4.053 -3.442 1.00 0.00 C ATOM 886 CE1 PHE B 60 10.265 1.673 -2.098 1.00 0.00 C ATOM 887 CE2 PHE B 60 10.841 3.956 -2.623 1.00 0.00 C ATOM 888 CZ PHE B 60 11.116 2.766 -1.957 1.00 0.00 C ATOM 0 H PHE B 60 5.612 3.187 -5.979 1.00 0.00 H new ATOM 0 HA PHE B 60 6.049 2.657 -3.201 1.00 0.00 H new ATOM 0 HB2 PHE B 60 7.592 2.104 -5.125 1.00 0.00 H new ATOM 0 HB3 PHE B 60 7.910 3.814 -5.336 1.00 0.00 H new ATOM 0 HD1 PHE B 60 8.493 0.913 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE B 60 9.491 4.987 -3.935 1.00 0.00 H new ATOM 0 HE1 PHE B 60 10.467 0.758 -1.562 1.00 0.00 H new ATOM 0 HE2 PHE B 60 11.498 4.805 -2.505 1.00 0.00 H new ATOM 0 HZ PHE B 60 11.991 2.690 -1.329 1.00 0.00 H new ATOM 898 N ASP B 61 5.983 5.865 -4.026 1.00 0.00 N ATOM 899 CA ASP B 61 5.515 7.159 -3.461 1.00 0.00 C ATOM 900 C ASP B 61 4.490 6.995 -2.285 1.00 0.00 C ATOM 901 O ASP B 61 4.798 7.168 -1.103 1.00 0.00 O ATOM 902 CB ASP B 61 4.925 7.944 -4.700 1.00 0.00 C ATOM 903 CG ASP B 61 5.496 7.632 -6.105 1.00 0.00 C ATOM 904 OD1 ASP B 61 6.670 7.966 -6.369 1.00 0.00 O ATOM 905 OD2 ASP B 61 4.772 7.028 -6.920 1.00 0.00 O ATOM 0 H ASP B 61 6.049 5.866 -5.044 1.00 0.00 H new ATOM 0 HA ASP B 61 6.330 7.706 -2.987 1.00 0.00 H new ATOM 0 HB2 ASP B 61 3.851 7.761 -4.729 1.00 0.00 H new ATOM 0 HB3 ASP B 61 5.062 9.009 -4.514 1.00 0.00 H new ATOM 910 N GLU B 62 3.212 6.717 -2.648 1.00 0.00 N ATOM 911 CA GLU B 62 2.115 6.398 -1.682 1.00 0.00 C ATOM 912 C GLU B 62 2.502 5.392 -0.536 1.00 0.00 C ATOM 913 O GLU B 62 1.791 5.331 0.493 1.00 0.00 O ATOM 914 CB GLU B 62 0.828 5.996 -2.480 1.00 0.00 C ATOM 915 CG GLU B 62 0.360 6.917 -3.651 1.00 0.00 C ATOM 916 CD GLU B 62 -0.991 6.592 -4.277 1.00 0.00 C ATOM 917 OE1 GLU B 62 -2.017 7.114 -3.796 1.00 0.00 O ATOM 918 OE2 GLU B 62 -1.031 5.848 -5.279 1.00 0.00 O ATOM 0 H GLU B 62 2.906 6.706 -3.621 1.00 0.00 H new ATOM 0 HA GLU B 62 1.905 7.305 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU B 62 0.989 4.998 -2.887 1.00 0.00 H new ATOM 0 HB3 GLU B 62 0.006 5.921 -1.768 1.00 0.00 H new ATOM 0 HG2 GLU B 62 0.328 7.943 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU B 62 1.116 6.882 -4.435 1.00 0.00 H new ATOM 925 N PHE B 63 3.558 4.571 -0.666 1.00 0.00 N ATOM 926 CA PHE B 63 4.184 3.860 0.499 1.00 0.00 C ATOM 927 C PHE B 63 4.800 4.862 1.538 1.00 0.00 C ATOM 928 O PHE B 63 4.408 4.896 2.710 1.00 0.00 O ATOM 929 CB PHE B 63 5.255 2.849 -0.025 1.00 0.00 C ATOM 930 CG PHE B 63 5.819 1.797 0.961 1.00 0.00 C ATOM 931 CD1 PHE B 63 5.018 1.175 1.925 1.00 0.00 C ATOM 932 CD2 PHE B 63 7.179 1.458 0.884 1.00 0.00 C ATOM 933 CE1 PHE B 63 5.579 0.280 2.837 1.00 0.00 C ATOM 934 CE2 PHE B 63 7.738 0.571 1.800 1.00 0.00 C ATOM 935 CZ PHE B 63 6.936 -0.022 2.772 1.00 0.00 C ATOM 0 H PHE B 63 4.007 4.373 -1.560 1.00 0.00 H new ATOM 0 HA PHE B 63 3.405 3.311 1.028 1.00 0.00 H new ATOM 0 HB2 PHE B 63 4.821 2.313 -0.869 1.00 0.00 H new ATOM 0 HB3 PHE B 63 6.095 3.426 -0.411 1.00 0.00 H new ATOM 0 HD1 PHE B 63 3.960 1.389 1.963 1.00 0.00 H new ATOM 0 HD2 PHE B 63 7.796 1.888 0.109 1.00 0.00 H new ATOM 0 HE1 PHE B 63 4.960 -0.179 3.594 1.00 0.00 H new ATOM 0 HE2 PHE B 63 8.793 0.343 1.757 1.00 0.00 H new ATOM 0 HZ PHE B 63 7.368 -0.717 3.477 1.00 0.00 H new ATOM 945 N LEU B 64 5.743 5.712 1.093 1.00 0.00 N ATOM 946 CA LEU B 64 6.502 6.651 1.977 1.00 0.00 C ATOM 947 C LEU B 64 5.542 7.618 2.757 1.00 0.00 C ATOM 948 O LEU B 64 5.883 8.139 3.825 1.00 0.00 O ATOM 949 CB LEU B 64 7.560 7.424 1.129 1.00 0.00 C ATOM 950 CG LEU B 64 8.809 6.641 0.641 1.00 0.00 C ATOM 951 CD1 LEU B 64 9.631 7.502 -0.332 1.00 0.00 C ATOM 952 CD2 LEU B 64 9.719 6.183 1.793 1.00 0.00 C ATOM 0 H LEU B 64 6.010 5.777 0.111 1.00 0.00 H new ATOM 0 HA LEU B 64 7.028 6.074 2.737 1.00 0.00 H new ATOM 0 HB2 LEU B 64 7.055 7.829 0.252 1.00 0.00 H new ATOM 0 HB3 LEU B 64 7.906 8.273 1.718 1.00 0.00 H new ATOM 0 HG LEU B 64 8.434 5.749 0.140 1.00 0.00 H new ATOM 0 HD11 LEU B 64 10.504 6.941 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU B 64 9.017 7.765 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU B 64 9.956 8.412 0.173 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.574 5.642 1.388 1.00 0.00 H new ATOM 0 HD22 LEU B 64 10.070 7.053 2.347 1.00 0.00 H new ATOM 0 HD23 LEU B 64 9.159 5.529 2.461 1.00 0.00 H new ATOM 964 N LYS B 65 4.322 7.836 2.234 1.00 0.00 N ATOM 965 CA LYS B 65 3.248 8.606 2.938 1.00 0.00 C ATOM 966 C LYS B 65 2.348 7.616 3.762 1.00 0.00 C ATOM 967 O LYS B 65 1.848 7.953 4.842 1.00 0.00 O ATOM 968 CB LYS B 65 2.563 9.403 1.782 1.00 0.00 C ATOM 969 CG LYS B 65 3.445 10.267 0.847 1.00 0.00 C ATOM 970 CD LYS B 65 2.598 11.413 0.237 1.00 0.00 C ATOM 971 CE LYS B 65 2.001 11.167 -1.157 1.00 0.00 C ATOM 972 NZ LYS B 65 1.290 12.413 -1.595 1.00 0.00 N ATOM 0 H LYS B 65 4.041 7.490 1.316 1.00 0.00 H new ATOM 0 HA LYS B 65 3.575 9.312 3.701 1.00 0.00 H new ATOM 0 HB2 LYS B 65 2.026 8.687 1.160 1.00 0.00 H new ATOM 0 HB3 LYS B 65 1.816 10.059 2.230 1.00 0.00 H new ATOM 0 HG2 LYS B 65 4.285 10.681 1.405 1.00 0.00 H new ATOM 0 HG3 LYS B 65 3.863 9.649 0.053 1.00 0.00 H new ATOM 0 HD2 LYS B 65 1.780 11.633 0.923 1.00 0.00 H new ATOM 0 HD3 LYS B 65 3.221 12.306 0.187 1.00 0.00 H new ATOM 0 HE2 LYS B 65 2.788 10.910 -1.866 1.00 0.00 H new ATOM 0 HE3 LYS B 65 1.309 10.325 -1.130 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 0.879 12.265 -2.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 0.532 12.636 -0.918 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 1.965 13.203 -1.632 1.00 0.00 H new ATOM 986 N MET B 66 2.122 6.396 3.242 1.00 0.00 N ATOM 987 CA MET B 66 1.480 5.283 4.012 1.00 0.00 C ATOM 988 C MET B 66 2.259 4.858 5.309 1.00 0.00 C ATOM 989 O MET B 66 1.727 4.155 6.175 1.00 0.00 O ATOM 990 CB MET B 66 1.305 4.072 3.047 1.00 0.00 C ATOM 991 CG MET B 66 1.150 2.689 3.721 1.00 0.00 C ATOM 992 SD MET B 66 0.685 1.450 2.501 1.00 0.00 S ATOM 993 CE MET B 66 1.984 0.250 2.835 1.00 0.00 C ATOM 0 H MET B 66 2.372 6.142 2.286 1.00 0.00 H new ATOM 0 HA MET B 66 0.518 5.644 4.377 1.00 0.00 H new ATOM 0 HB2 MET B 66 0.428 4.252 2.425 1.00 0.00 H new ATOM 0 HB3 MET B 66 2.167 4.036 2.381 1.00 0.00 H new ATOM 0 HG2 MET B 66 2.086 2.404 4.201 1.00 0.00 H new ATOM 0 HG3 MET B 66 0.393 2.741 4.504 1.00 0.00 H new ATOM 0 HE1 MET B 66 2.511 0.018 1.910 1.00 0.00 H new ATOM 0 HE2 MET B 66 2.686 0.665 3.558 1.00 0.00 H new ATOM 0 HE3 MET B 66 1.543 -0.661 3.239 1.00 0.00 H new ATOM 1003 N MET B 67 3.512 5.322 5.459 1.00 0.00 N ATOM 1004 CA MET B 67 4.186 5.498 6.783 1.00 0.00 C ATOM 1005 C MET B 67 3.866 6.915 7.381 1.00 0.00 C ATOM 1006 O MET B 67 3.340 7.039 8.492 1.00 0.00 O ATOM 1007 CB MET B 67 5.723 5.312 6.630 1.00 0.00 C ATOM 1008 CG MET B 67 6.183 3.909 6.179 1.00 0.00 C ATOM 1009 SD MET B 67 7.580 3.379 7.185 1.00 0.00 S ATOM 1010 CE MET B 67 8.146 1.986 6.195 1.00 0.00 C ATOM 0 H MET B 67 4.099 5.590 4.669 1.00 0.00 H new ATOM 0 HA MET B 67 3.806 4.741 7.469 1.00 0.00 H new ATOM 0 HB2 MET B 67 6.090 6.044 5.910 1.00 0.00 H new ATOM 0 HB3 MET B 67 6.196 5.540 7.585 1.00 0.00 H new ATOM 0 HG2 MET B 67 5.362 3.198 6.275 1.00 0.00 H new ATOM 0 HG3 MET B 67 6.466 3.929 5.127 1.00 0.00 H new ATOM 0 HE1 MET B 67 9.142 1.687 6.523 1.00 0.00 H new ATOM 0 HE2 MET B 67 7.458 1.150 6.317 1.00 0.00 H new ATOM 0 HE3 MET B 67 8.182 2.276 5.145 1.00 0.00 H new ATOM 1020 N GLU B 68 4.140 7.988 6.616 1.00 0.00 N ATOM 1021 CA GLU B 68 4.385 9.355 7.173 1.00 0.00 C ATOM 1022 C GLU B 68 3.073 10.174 7.450 1.00 0.00 C ATOM 1023 O GLU B 68 3.099 11.230 8.090 1.00 0.00 O ATOM 1024 CB GLU B 68 5.438 10.095 6.283 1.00 0.00 C ATOM 1025 CG GLU B 68 6.946 9.719 6.432 1.00 0.00 C ATOM 1026 CD GLU B 68 7.954 10.754 5.946 1.00 0.00 C ATOM 1027 OE1 GLU B 68 7.586 11.619 5.125 1.00 0.00 O ATOM 1028 OE2 GLU B 68 9.129 10.689 6.360 1.00 0.00 O ATOM 0 H GLU B 68 4.200 7.945 5.599 1.00 0.00 H new ATOM 0 HA GLU B 68 4.810 9.250 8.171 1.00 0.00 H new ATOM 0 HB2 GLU B 68 5.160 9.936 5.241 1.00 0.00 H new ATOM 0 HB3 GLU B 68 5.343 11.163 6.479 1.00 0.00 H new ATOM 0 HG2 GLU B 68 7.145 9.516 7.484 1.00 0.00 H new ATOM 0 HG3 GLU B 68 7.122 8.790 5.889 1.00 0.00 H new ATOM 1035 N GLY B 69 1.927 9.704 6.925 1.00 0.00 N ATOM 1036 CA GLY B 69 0.658 10.500 6.882 1.00 0.00 C ATOM 1037 C GLY B 69 0.058 10.876 8.284 1.00 0.00 C ATOM 1038 O GLY B 69 0.473 11.852 8.918 1.00 0.00 O ATOM 0 H GLY B 69 1.840 8.772 6.519 1.00 0.00 H new ATOM 0 HA2 GLY B 69 0.843 11.419 6.325 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -0.089 9.934 6.325 1.00 0.00 H new ATOM 1042 N VAL B 70 -0.904 10.079 8.783 1.00 0.00 N ATOM 1043 CA VAL B 70 -1.881 10.508 9.831 1.00 0.00 C ATOM 1044 C VAL B 70 -1.117 10.656 11.195 1.00 0.00 C ATOM 1045 O VAL B 70 -0.751 9.665 11.836 1.00 0.00 O ATOM 1046 CB VAL B 70 -3.112 9.531 9.893 1.00 0.00 C ATOM 1047 CG1 VAL B 70 -4.165 9.935 10.956 1.00 0.00 C ATOM 1048 CG2 VAL B 70 -3.875 9.412 8.551 1.00 0.00 C ATOM 0 H VAL B 70 -1.036 9.115 8.478 1.00 0.00 H new ATOM 0 HA VAL B 70 -2.308 11.480 9.583 1.00 0.00 H new ATOM 0 HB VAL B 70 -2.651 8.578 10.154 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -4.987 9.219 10.945 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -3.702 9.941 11.943 1.00 0.00 H new ATOM 0 HG13 VAL B 70 -4.548 10.930 10.729 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -4.711 8.722 8.668 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -4.251 10.392 8.258 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -3.201 9.038 7.781 1.00 0.00 H new ATOM 1058 N GLN B 71 -0.825 11.902 11.611 1.00 0.00 N ATOM 1059 CA GLN B 71 0.190 12.207 12.666 1.00 0.00 C ATOM 1060 C GLN B 71 -0.160 13.517 13.461 1.00 0.00 C ATOM 1061 O GLN B 71 -0.921 13.492 14.435 1.00 0.00 O ATOM 1062 CB GLN B 71 1.587 12.215 11.985 1.00 0.00 C ATOM 1063 CG GLN B 71 2.713 12.864 12.843 1.00 0.00 C ATOM 1064 CD GLN B 71 4.076 12.170 12.813 1.00 0.00 C ATOM 1065 OE1 GLN B 71 4.604 11.714 13.819 1.00 0.00 O ATOM 1066 NE2 GLN B 71 4.694 12.066 11.665 1.00 0.00 N ATOM 0 H GLN B 71 -1.279 12.733 11.233 1.00 0.00 H new ATOM 0 HA GLN B 71 0.193 11.438 13.439 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.870 11.189 11.751 1.00 0.00 H new ATOM 0 HB3 GLN B 71 1.514 12.750 11.038 1.00 0.00 H new ATOM 0 HG2 GLN B 71 2.846 13.893 12.510 1.00 0.00 H new ATOM 0 HG3 GLN B 71 2.373 12.905 13.878 1.00 0.00 H new ATOM 0 HE21 GLN B 71 4.265 12.442 10.819 1.00 0.00 H new ATOM 0 HE22 GLN B 71 5.605 11.609 11.616 1.00 0.00 H new HETATM 1075 N NH2 B 72 0.346 14.676 13.002 1.00 0.00 N TER 1078 NH2 B 72