USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 416 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 Set 1.1: A 22 GLN : amide:sc= 0.203 K(o=0.2,f=-1.5) USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 20:sc= 0.404 USER MOD Single : A 7 LYS NZ :NH3+ -173:sc=-0.000442 (180deg=-0.0762) USER MOD Single : A 12 LYS NZ :NH3+ 150:sc= -0.0229 (180deg=-0.16) USER MOD Single : A 13 TYR OH : rot -175:sc= 1.26 USER MOD Single : A 24 SER OG : rot 48:sc= 1.09 USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= 0.345 (180deg=0.161) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc=-0.00728 (180deg=-0.0683) USER MOD Single : A 33 GLN : amide:sc= -0.565 X(o=-0.56,f=-0.12) USER MOD Single : A 34 THR OG1 : rot 78:sc= 1.17 USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= 1.15 (180deg=0.736) USER MOD Single : A 67 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 2 2.698 -0.666 -1.633 1.00 0.00 N ATOM 26 CA SER A 2 2.628 -1.884 -2.419 1.00 0.00 C ATOM 27 C SER A 2 2.113 -1.655 -3.842 1.00 0.00 C ATOM 28 O SER A 2 2.762 -2.131 -4.768 1.00 0.00 O ATOM 29 CB SER A 2 1.868 -2.982 -1.671 1.00 0.00 C ATOM 30 OG SER A 2 2.295 -2.998 -0.323 1.00 0.00 O ATOM 0 HA SER A 2 3.651 -2.238 -2.550 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.795 -2.801 -1.724 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.051 -3.951 -2.136 1.00 0.00 H new ATOM 0 HG SER A 2 2.708 -2.138 -0.100 1.00 0.00 H new ATOM 36 N PRO A 3 1.005 -0.929 -4.072 1.00 0.00 N ATOM 37 CA PRO A 3 0.538 -0.648 -5.422 1.00 0.00 C ATOM 38 C PRO A 3 1.645 -0.057 -6.300 1.00 0.00 C ATOM 39 O PRO A 3 1.870 -0.515 -7.418 1.00 0.00 O ATOM 40 CB PRO A 3 -0.645 0.313 -5.263 1.00 0.00 C ATOM 41 CG PRO A 3 -1.171 -0.017 -3.868 1.00 0.00 C ATOM 42 CD PRO A 3 0.114 -0.314 -3.099 1.00 0.00 C ATOM 0 HA PRO A 3 0.235 -1.562 -5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.332 1.354 -5.340 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.403 0.150 -6.029 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.722 0.817 -3.433 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.845 -0.873 -3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.548 0.598 -2.689 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.075 -0.983 -2.259 1.00 0.00 H new ATOM 50 N GLU A 4 2.352 0.950 -5.781 1.00 0.00 N ATOM 51 CA GLU A 4 3.408 1.641 -6.499 1.00 0.00 C ATOM 52 C GLU A 4 4.575 0.690 -6.762 1.00 0.00 C ATOM 53 O GLU A 4 5.087 0.622 -7.878 1.00 0.00 O ATOM 54 CB GLU A 4 3.867 2.878 -5.709 1.00 0.00 C ATOM 55 CG GLU A 4 2.784 3.964 -5.567 1.00 0.00 C ATOM 56 CD GLU A 4 1.611 3.585 -4.662 1.00 0.00 C ATOM 57 OE1 GLU A 4 1.830 2.776 -3.732 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.505 4.103 -4.923 1.00 0.00 O ATOM 0 H GLU A 4 2.200 1.307 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 4 3.023 1.979 -7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.186 2.565 -4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.738 3.309 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.247 4.870 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.398 4.204 -6.558 1.00 0.00 H new ATOM 65 N GLU A 5 4.993 -0.056 -5.737 1.00 0.00 N ATOM 66 CA GLU A 5 6.075 -1.018 -5.874 1.00 0.00 C ATOM 67 C GLU A 5 5.723 -2.033 -6.964 1.00 0.00 C ATOM 68 O GLU A 5 6.518 -2.302 -7.862 1.00 0.00 O ATOM 69 CB GLU A 5 6.337 -1.692 -4.518 1.00 0.00 C ATOM 70 CG GLU A 5 7.507 -2.688 -4.558 1.00 0.00 C ATOM 71 CD GLU A 5 8.820 -2.032 -4.974 1.00 0.00 C ATOM 72 OE1 GLU A 5 9.281 -1.157 -4.210 1.00 0.00 O ATOM 73 OE2 GLU A 5 9.332 -2.410 -6.051 1.00 0.00 O ATOM 0 H GLU A 5 4.592 -0.007 -4.800 1.00 0.00 H new ATOM 0 HA GLU A 5 6.993 -0.515 -6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.545 -0.925 -3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.435 -2.213 -4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.627 -3.142 -3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.271 -3.493 -5.254 1.00 0.00 H new ATOM 80 N LEU A 6 4.513 -2.587 -6.887 1.00 0.00 N ATOM 81 CA LEU A 6 4.052 -3.606 -7.812 1.00 0.00 C ATOM 82 C LEU A 6 3.872 -3.017 -9.213 1.00 0.00 C ATOM 83 O LEU A 6 4.129 -3.714 -10.191 1.00 0.00 O ATOM 84 CB LEU A 6 2.811 -4.331 -7.280 1.00 0.00 C ATOM 85 CG LEU A 6 3.174 -5.490 -6.329 1.00 0.00 C ATOM 86 CD1 LEU A 6 4.039 -5.119 -5.116 1.00 0.00 C ATOM 87 CD2 LEU A 6 1.885 -6.130 -5.820 1.00 0.00 C ATOM 0 H LEU A 6 3.827 -2.336 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 6 4.818 -4.377 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.174 -3.619 -6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.232 -4.719 -8.118 1.00 0.00 H new ATOM 0 HG LEU A 6 3.783 -6.167 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.231 -6.011 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.986 -4.701 -5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.515 -4.381 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.128 -6.952 -5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.295 -5.385 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.310 -6.511 -6.664 1.00 0.00 H new ATOM 99 N LYS A 7 3.481 -1.744 -9.338 1.00 0.00 N ATOM 100 CA LYS A 7 3.506 -1.049 -10.617 1.00 0.00 C ATOM 101 C LYS A 7 4.933 -1.004 -11.165 1.00 0.00 C ATOM 102 O LYS A 7 5.158 -1.347 -12.323 1.00 0.00 O ATOM 103 CB LYS A 7 2.929 0.367 -10.483 1.00 0.00 C ATOM 104 CG LYS A 7 2.759 1.016 -11.864 1.00 0.00 C ATOM 105 CD LYS A 7 2.161 2.420 -11.728 1.00 0.00 C ATOM 106 CE LYS A 7 1.889 3.044 -13.103 1.00 0.00 C ATOM 107 NZ LYS A 7 3.125 3.228 -13.886 1.00 0.00 N ATOM 0 H LYS A 7 3.143 -1.177 -8.561 1.00 0.00 H new ATOM 0 HA LYS A 7 2.881 -1.599 -11.321 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.966 0.326 -9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.590 0.978 -9.867 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.724 1.073 -12.367 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.112 0.397 -12.486 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.233 2.369 -11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.845 3.056 -11.166 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.200 2.408 -13.659 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.397 4.008 -12.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.910 3.758 -14.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.819 3.757 -13.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.519 2.299 -14.137 1.00 0.00 H new ATOM 121 N GLY A 8 5.893 -0.572 -10.342 1.00 0.00 N ATOM 122 CA GLY A 8 7.294 -0.506 -10.731 1.00 0.00 C ATOM 123 C GLY A 8 7.769 -1.861 -11.252 1.00 0.00 C ATOM 124 O GLY A 8 8.225 -1.969 -12.388 1.00 0.00 O ATOM 0 H GLY A 8 5.715 -0.259 -9.388 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.428 0.254 -11.501 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.901 -0.205 -9.877 1.00 0.00 H new ATOM 128 N ILE A 9 7.625 -2.892 -10.414 1.00 0.00 N ATOM 129 CA ILE A 9 7.852 -4.298 -10.742 1.00 0.00 C ATOM 130 C ILE A 9 7.228 -4.626 -12.098 1.00 0.00 C ATOM 131 O ILE A 9 7.945 -4.938 -13.050 1.00 0.00 O ATOM 132 CB ILE A 9 7.306 -5.151 -9.577 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.332 -5.166 -8.431 1.00 0.00 C ATOM 134 CG2 ILE A 9 6.867 -6.575 -9.935 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.790 -5.859 -7.179 1.00 0.00 C ATOM 0 H ILE A 9 7.334 -2.761 -9.445 1.00 0.00 H new ATOM 0 HA ILE A 9 8.913 -4.523 -10.848 1.00 0.00 H new ATOM 0 HB ILE A 9 6.380 -4.664 -9.270 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.237 -5.675 -8.763 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.614 -4.142 -8.184 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.502 -7.079 -9.040 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.071 -6.534 -10.679 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.715 -7.126 -10.341 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.550 -5.845 -6.398 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.900 -5.335 -6.830 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.533 -6.891 -7.417 1.00 0.00 H new ATOM 147 N PHE A 10 5.898 -4.539 -12.173 1.00 0.00 N ATOM 148 CA PHE A 10 5.116 -4.813 -13.370 1.00 0.00 C ATOM 149 C PHE A 10 5.798 -4.186 -14.584 1.00 0.00 C ATOM 150 O PHE A 10 6.090 -4.875 -15.557 1.00 0.00 O ATOM 151 CB PHE A 10 3.681 -4.292 -13.185 1.00 0.00 C ATOM 152 CG PHE A 10 2.865 -4.261 -14.459 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.123 -5.388 -14.845 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.992 -3.175 -15.346 1.00 0.00 C ATOM 155 CE1 PHE A 10 1.553 -5.453 -16.124 1.00 0.00 C ATOM 156 CE2 PHE A 10 2.515 -3.285 -16.660 1.00 0.00 C ATOM 157 CZ PHE A 10 1.791 -4.425 -17.047 1.00 0.00 C ATOM 0 H PHE A 10 5.323 -4.267 -11.376 1.00 0.00 H new ATOM 0 HA PHE A 10 5.058 -5.888 -13.539 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.170 -4.919 -12.454 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.722 -3.286 -12.768 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.991 -6.208 -14.154 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.456 -2.258 -15.015 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.932 -6.293 -16.398 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.704 -2.496 -17.372 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.417 -4.510 -18.057 1.00 0.00 H new ATOM 167 N GLU A 11 6.068 -2.884 -14.503 1.00 0.00 N ATOM 168 CA GLU A 11 6.660 -2.114 -15.576 1.00 0.00 C ATOM 169 C GLU A 11 8.026 -2.674 -15.979 1.00 0.00 C ATOM 170 O GLU A 11 8.246 -2.948 -17.158 1.00 0.00 O ATOM 171 CB GLU A 11 6.709 -0.636 -15.167 1.00 0.00 C ATOM 172 CG GLU A 11 7.018 0.286 -16.351 1.00 0.00 C ATOM 173 CD GLU A 11 6.935 1.751 -15.934 1.00 0.00 C ATOM 174 OE1 GLU A 11 5.801 2.195 -15.648 1.00 0.00 O ATOM 175 OE2 GLU A 11 8.004 2.396 -15.893 1.00 0.00 O ATOM 0 H GLU A 11 5.874 -2.331 -13.668 1.00 0.00 H new ATOM 0 HA GLU A 11 6.041 -2.192 -16.470 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.753 -0.351 -14.728 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.467 -0.500 -14.396 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.014 0.069 -16.736 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.314 0.093 -17.161 1.00 0.00 H new ATOM 182 N LYS A 12 8.953 -2.846 -15.030 1.00 0.00 N ATOM 183 CA LYS A 12 10.286 -3.319 -15.391 1.00 0.00 C ATOM 184 C LYS A 12 10.254 -4.731 -15.981 1.00 0.00 C ATOM 185 O LYS A 12 11.060 -5.035 -16.856 1.00 0.00 O ATOM 186 CB LYS A 12 11.310 -3.163 -14.258 1.00 0.00 C ATOM 187 CG LYS A 12 10.967 -3.903 -12.962 1.00 0.00 C ATOM 188 CD LYS A 12 12.191 -3.890 -12.034 1.00 0.00 C ATOM 189 CE LYS A 12 11.852 -4.339 -10.608 1.00 0.00 C ATOM 190 NZ LYS A 12 11.129 -3.291 -9.864 1.00 0.00 N ATOM 0 H LYS A 12 8.809 -2.670 -14.036 1.00 0.00 H new ATOM 0 HA LYS A 12 10.639 -2.661 -16.185 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.278 -3.516 -14.614 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.420 -2.102 -14.033 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.118 -3.427 -12.471 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.673 -4.929 -13.182 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.961 -4.544 -12.444 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.610 -2.884 -12.005 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.245 -5.243 -10.646 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.770 -4.594 -10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.496 -3.734 -9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.812 -2.681 -9.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.569 -2.718 -10.527 1.00 0.00 H new ATOM 204 N TYR A 13 9.339 -5.596 -15.534 1.00 0.00 N ATOM 205 CA TYR A 13 9.130 -6.885 -16.187 1.00 0.00 C ATOM 206 C TYR A 13 8.578 -6.699 -17.602 1.00 0.00 C ATOM 207 O TYR A 13 9.198 -7.105 -18.585 1.00 0.00 O ATOM 208 CB TYR A 13 8.221 -7.759 -15.321 1.00 0.00 C ATOM 209 CG TYR A 13 8.977 -8.440 -14.202 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.773 -9.559 -14.493 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.847 -8.008 -12.871 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.432 -10.238 -13.457 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.602 -8.615 -11.857 1.00 0.00 C ATOM 214 CZ TYR A 13 10.396 -9.734 -12.148 1.00 0.00 C ATOM 215 OH TYR A 13 11.042 -10.393 -11.148 1.00 0.00 O ATOM 0 H TYR A 13 8.737 -5.426 -14.728 1.00 0.00 H new ATOM 0 HA TYR A 13 10.087 -7.396 -16.292 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.426 -7.145 -14.898 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.743 -8.514 -15.946 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.878 -9.897 -15.513 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.164 -7.207 -12.629 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.969 -11.151 -13.668 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.572 -8.221 -10.852 1.00 0.00 H new ATOM 0 HH TYR A 13 10.848 -9.959 -10.291 1.00 0.00 H new ATOM 225 N ALA A 14 7.405 -6.079 -17.699 1.00 0.00 N ATOM 226 CA ALA A 14 6.717 -5.758 -18.939 1.00 0.00 C ATOM 227 C ALA A 14 7.651 -5.188 -20.001 1.00 0.00 C ATOM 228 O ALA A 14 7.545 -5.559 -21.162 1.00 0.00 O ATOM 229 CB ALA A 14 5.595 -4.774 -18.634 1.00 0.00 C ATOM 0 H ALA A 14 6.887 -5.774 -16.875 1.00 0.00 H new ATOM 0 HA ALA A 14 6.313 -6.682 -19.352 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.070 -4.524 -19.556 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.897 -5.226 -17.929 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.015 -3.867 -18.198 1.00 0.00 H new ATOM 235 N ALA A 15 8.577 -4.316 -19.613 1.00 0.00 N ATOM 236 CA ALA A 15 9.613 -3.770 -20.484 1.00 0.00 C ATOM 237 C ALA A 15 10.268 -4.808 -21.412 1.00 0.00 C ATOM 238 O ALA A 15 10.613 -4.467 -22.540 1.00 0.00 O ATOM 239 CB ALA A 15 10.675 -3.057 -19.645 1.00 0.00 C ATOM 0 H ALA A 15 8.629 -3.960 -18.659 1.00 0.00 H new ATOM 0 HA ALA A 15 9.114 -3.061 -21.144 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.445 -2.652 -20.301 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.211 -2.245 -19.085 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.126 -3.766 -18.950 1.00 0.00 H new ATOM 329 N GLN A 22 3.148 -4.449 -20.850 1.00 0.00 N ATOM 330 CA GLN A 22 2.259 -5.599 -20.830 1.00 0.00 C ATOM 331 C GLN A 22 3.043 -6.867 -20.487 1.00 0.00 C ATOM 332 O GLN A 22 4.227 -6.944 -20.797 1.00 0.00 O ATOM 333 CB GLN A 22 1.563 -5.682 -22.195 1.00 0.00 C ATOM 334 CG GLN A 22 0.053 -5.832 -22.014 1.00 0.00 C ATOM 335 CD GLN A 22 -0.711 -5.656 -23.328 1.00 0.00 C ATOM 336 OE1 GLN A 22 -0.209 -5.053 -24.271 1.00 0.00 O ATOM 337 NE2 GLN A 22 -1.923 -6.191 -23.423 1.00 0.00 N ATOM 0 HA GLN A 22 1.497 -5.495 -20.058 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.779 -4.785 -22.776 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.954 -6.529 -22.759 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.165 -6.816 -21.599 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.299 -5.096 -21.291 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.324 -6.689 -22.628 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.452 -6.104 -24.291 1.00 0.00 H new ATOM 346 N LEU A 23 2.404 -7.850 -19.839 1.00 0.00 N ATOM 347 CA LEU A 23 3.031 -9.111 -19.449 1.00 0.00 C ATOM 348 C LEU A 23 2.365 -10.278 -20.190 1.00 0.00 C ATOM 349 O LEU A 23 1.238 -10.633 -19.850 1.00 0.00 O ATOM 350 CB LEU A 23 2.869 -9.346 -17.934 1.00 0.00 C ATOM 351 CG LEU A 23 3.394 -8.247 -17.004 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.927 -8.548 -15.582 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.910 -8.179 -16.955 1.00 0.00 C ATOM 0 H LEU A 23 1.422 -7.786 -19.569 1.00 0.00 H new ATOM 0 HA LEU A 23 4.089 -9.056 -19.704 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.809 -9.491 -17.724 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.375 -10.277 -17.679 1.00 0.00 H new ATOM 0 HG LEU A 23 3.014 -7.302 -17.392 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.293 -7.774 -14.907 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.838 -8.569 -15.554 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.317 -9.516 -15.268 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.217 -7.381 -16.279 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.305 -9.130 -16.597 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.298 -7.978 -17.954 1.00 0.00 H new ATOM 365 N SER A 24 3.018 -10.909 -21.175 1.00 0.00 N ATOM 366 CA SER A 24 2.470 -12.164 -21.703 1.00 0.00 C ATOM 367 C SER A 24 2.674 -13.282 -20.687 1.00 0.00 C ATOM 368 O SER A 24 3.458 -13.108 -19.763 1.00 0.00 O ATOM 369 CB SER A 24 3.030 -12.543 -23.078 1.00 0.00 C ATOM 370 OG SER A 24 2.161 -13.486 -23.684 1.00 0.00 O ATOM 0 H SER A 24 3.886 -10.590 -21.606 1.00 0.00 H new ATOM 0 HA SER A 24 1.402 -12.010 -21.861 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.121 -11.656 -23.706 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.030 -12.964 -22.975 1.00 0.00 H new ATOM 0 HG SER A 24 1.235 -13.173 -23.609 1.00 0.00 H new ATOM 376 N LYS A 25 2.000 -14.424 -20.860 1.00 0.00 N ATOM 377 CA LYS A 25 2.093 -15.605 -20.010 1.00 0.00 C ATOM 378 C LYS A 25 3.522 -15.866 -19.541 1.00 0.00 C ATOM 379 O LYS A 25 3.735 -16.120 -18.363 1.00 0.00 O ATOM 380 CB LYS A 25 1.577 -16.836 -20.759 1.00 0.00 C ATOM 381 CG LYS A 25 0.073 -16.799 -21.046 1.00 0.00 C ATOM 382 CD LYS A 25 -0.362 -18.089 -21.753 1.00 0.00 C ATOM 383 CE LYS A 25 -1.882 -18.151 -21.949 1.00 0.00 C ATOM 384 NZ LYS A 25 -2.372 -17.070 -22.823 1.00 0.00 N ATOM 0 H LYS A 25 1.346 -14.551 -21.633 1.00 0.00 H new ATOM 0 HA LYS A 25 1.478 -15.415 -19.131 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.115 -16.928 -21.702 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.804 -17.727 -20.174 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.480 -16.682 -20.114 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.165 -15.936 -21.668 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.132 -18.156 -22.722 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.036 -18.950 -21.170 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.153 -19.115 -22.379 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.375 -18.085 -20.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.290 -17.341 -23.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.483 -16.198 -22.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.689 -16.907 -23.590 1.00 0.00 H new ATOM 398 N GLU A 26 4.503 -15.791 -20.444 1.00 0.00 N ATOM 399 CA GLU A 26 5.899 -15.974 -20.081 1.00 0.00 C ATOM 400 C GLU A 26 6.346 -14.942 -19.038 1.00 0.00 C ATOM 401 O GLU A 26 6.956 -15.297 -18.030 1.00 0.00 O ATOM 402 CB GLU A 26 6.767 -15.926 -21.346 1.00 0.00 C ATOM 403 CG GLU A 26 8.230 -16.281 -21.047 1.00 0.00 C ATOM 404 CD GLU A 26 9.059 -16.314 -22.326 1.00 0.00 C ATOM 405 OE1 GLU A 26 9.351 -15.212 -22.840 1.00 0.00 O ATOM 406 OE2 GLU A 26 9.372 -17.438 -22.772 1.00 0.00 O ATOM 0 H GLU A 26 4.349 -15.604 -21.435 1.00 0.00 H new ATOM 0 HA GLU A 26 6.021 -16.953 -19.617 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.369 -16.619 -22.087 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.717 -14.929 -21.784 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.651 -15.551 -20.356 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.278 -17.252 -20.553 1.00 0.00 H new ATOM 413 N GLU A 27 6.047 -13.664 -19.274 1.00 0.00 N ATOM 414 CA GLU A 27 6.474 -12.594 -18.386 1.00 0.00 C ATOM 415 C GLU A 27 5.693 -12.696 -17.069 1.00 0.00 C ATOM 416 O GLU A 27 6.259 -12.535 -15.988 1.00 0.00 O ATOM 417 CB GLU A 27 6.281 -11.240 -19.090 1.00 0.00 C ATOM 418 CG GLU A 27 7.215 -10.144 -18.546 1.00 0.00 C ATOM 419 CD GLU A 27 8.674 -10.350 -18.945 1.00 0.00 C ATOM 420 OE1 GLU A 27 8.905 -10.662 -20.132 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.533 -10.187 -18.051 1.00 0.00 O ATOM 0 H GLU A 27 5.507 -13.348 -20.080 1.00 0.00 H new ATOM 0 HA GLU A 27 7.534 -12.683 -18.146 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.457 -11.363 -20.159 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.246 -10.919 -18.973 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.878 -9.174 -18.911 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.142 -10.119 -17.459 1.00 0.00 H new ATOM 428 N LEU A 28 4.391 -12.993 -17.165 1.00 0.00 N ATOM 429 CA LEU A 28 3.499 -13.154 -16.033 1.00 0.00 C ATOM 430 C LEU A 28 4.013 -14.296 -15.152 1.00 0.00 C ATOM 431 O LEU A 28 4.155 -14.155 -13.940 1.00 0.00 O ATOM 432 CB LEU A 28 2.063 -13.335 -16.561 1.00 0.00 C ATOM 433 CG LEU A 28 0.928 -13.385 -15.519 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.757 -14.794 -14.937 1.00 0.00 C ATOM 435 CD2 LEU A 28 1.077 -12.321 -14.434 1.00 0.00 C ATOM 0 H LEU A 28 3.926 -13.130 -18.062 1.00 0.00 H new ATOM 0 HA LEU A 28 3.477 -12.273 -15.391 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.852 -12.518 -17.251 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.030 -14.258 -17.140 1.00 0.00 H new ATOM 0 HG LEU A 28 0.006 -13.143 -16.048 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.052 -14.790 -14.206 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.518 -15.492 -15.739 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.683 -15.102 -14.451 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.251 -12.403 -13.728 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.020 -12.468 -13.907 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.067 -11.331 -14.891 1.00 0.00 H new ATOM 447 N LYS A 29 4.351 -15.431 -15.756 1.00 0.00 N ATOM 448 CA LYS A 29 4.975 -16.531 -15.055 1.00 0.00 C ATOM 449 C LYS A 29 6.295 -16.088 -14.428 1.00 0.00 C ATOM 450 O LYS A 29 6.543 -16.364 -13.253 1.00 0.00 O ATOM 451 CB LYS A 29 5.155 -17.674 -16.062 1.00 0.00 C ATOM 452 CG LYS A 29 5.608 -18.989 -15.429 1.00 0.00 C ATOM 453 CD LYS A 29 5.316 -20.160 -16.373 1.00 0.00 C ATOM 454 CE LYS A 29 6.032 -20.057 -17.727 1.00 0.00 C ATOM 455 NZ LYS A 29 7.492 -19.926 -17.576 1.00 0.00 N ATOM 0 H LYS A 29 4.196 -15.607 -16.749 1.00 0.00 H new ATOM 0 HA LYS A 29 4.353 -16.877 -14.229 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.212 -17.838 -16.583 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.885 -17.372 -16.813 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.675 -18.947 -15.210 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.093 -19.140 -14.480 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.611 -21.089 -15.886 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.241 -20.217 -16.544 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.808 -20.942 -18.323 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.647 -19.198 -18.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.942 -19.962 -18.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.714 -19.018 -17.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.852 -20.705 -16.989 1.00 0.00 H new ATOM 469 N LEU A 30 7.160 -15.418 -15.195 1.00 0.00 N ATOM 470 CA LEU A 30 8.451 -14.964 -14.699 1.00 0.00 C ATOM 471 C LEU A 30 8.289 -14.161 -13.405 1.00 0.00 C ATOM 472 O LEU A 30 8.848 -14.537 -12.371 1.00 0.00 O ATOM 473 CB LEU A 30 9.210 -14.184 -15.784 1.00 0.00 C ATOM 474 CG LEU A 30 10.643 -13.808 -15.368 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.537 -15.039 -15.174 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.259 -12.907 -16.442 1.00 0.00 C ATOM 0 H LEU A 30 6.982 -15.179 -16.170 1.00 0.00 H new ATOM 0 HA LEU A 30 9.056 -15.837 -14.454 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.248 -14.783 -16.694 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.657 -13.275 -16.023 1.00 0.00 H new ATOM 0 HG LEU A 30 10.582 -13.289 -14.411 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.537 -14.720 -14.881 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.116 -15.675 -14.395 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.594 -15.598 -16.108 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.275 -12.638 -16.152 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.282 -13.438 -17.393 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.659 -12.003 -16.546 1.00 0.00 H new ATOM 488 N LEU A 31 7.522 -13.063 -13.435 1.00 0.00 N ATOM 489 CA LEU A 31 7.434 -12.229 -12.246 1.00 0.00 C ATOM 490 C LEU A 31 6.626 -12.893 -11.138 1.00 0.00 C ATOM 491 O LEU A 31 6.968 -12.714 -9.974 1.00 0.00 O ATOM 492 CB LEU A 31 7.050 -10.769 -12.529 1.00 0.00 C ATOM 493 CG LEU A 31 5.571 -10.384 -12.514 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.436 -8.867 -12.650 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.869 -11.025 -13.692 1.00 0.00 C ATOM 0 H LEU A 31 6.977 -12.747 -14.237 1.00 0.00 H new ATOM 0 HA LEU A 31 8.450 -12.147 -11.859 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.562 -10.145 -11.797 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.450 -10.505 -13.508 1.00 0.00 H new ATOM 0 HG LEU A 31 5.127 -10.722 -11.578 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.381 -8.593 -12.639 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.946 -8.380 -11.818 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.885 -8.545 -13.589 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.814 -10.750 -13.681 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.324 -10.678 -14.620 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.962 -12.109 -13.625 1.00 0.00 H new ATOM 507 N LEU A 32 5.588 -13.679 -11.442 1.00 0.00 N ATOM 508 CA LEU A 32 4.867 -14.351 -10.366 1.00 0.00 C ATOM 509 C LEU A 32 5.773 -15.359 -9.671 1.00 0.00 C ATOM 510 O LEU A 32 5.808 -15.369 -8.448 1.00 0.00 O ATOM 511 CB LEU A 32 3.510 -14.917 -10.816 1.00 0.00 C ATOM 512 CG LEU A 32 2.392 -13.884 -10.621 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.793 -12.512 -11.164 1.00 0.00 C ATOM 514 CD2 LEU A 32 1.148 -14.368 -11.356 1.00 0.00 C ATOM 0 H LEU A 32 5.242 -13.859 -12.384 1.00 0.00 H new ATOM 0 HA LEU A 32 4.597 -13.607 -9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.563 -15.207 -11.865 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.281 -15.818 -10.247 1.00 0.00 H new ATOM 0 HG LEU A 32 2.199 -13.781 -9.553 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.977 -11.806 -11.009 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.682 -12.159 -10.641 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.006 -12.591 -12.230 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.344 -13.644 -11.226 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.371 -14.476 -12.417 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.837 -15.331 -10.951 1.00 0.00 H new ATOM 526 N GLN A 33 6.567 -16.143 -10.403 1.00 0.00 N ATOM 527 CA GLN A 33 7.578 -16.971 -9.757 1.00 0.00 C ATOM 528 C GLN A 33 8.514 -16.114 -8.904 1.00 0.00 C ATOM 529 O GLN A 33 8.718 -16.406 -7.731 1.00 0.00 O ATOM 530 CB GLN A 33 8.392 -17.744 -10.793 1.00 0.00 C ATOM 531 CG GLN A 33 7.573 -18.830 -11.501 1.00 0.00 C ATOM 532 CD GLN A 33 8.293 -19.276 -12.766 1.00 0.00 C ATOM 533 OE1 GLN A 33 8.658 -20.435 -12.924 1.00 0.00 O ATOM 534 NE2 GLN A 33 8.504 -18.334 -13.677 1.00 0.00 N ATOM 0 H GLN A 33 6.530 -16.220 -11.419 1.00 0.00 H new ATOM 0 HA GLN A 33 7.062 -17.683 -9.113 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.782 -17.048 -11.535 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.251 -18.204 -10.304 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.427 -19.681 -10.835 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.583 -18.447 -11.750 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.184 -17.380 -13.508 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.986 -18.564 -14.546 1.00 0.00 H new ATOM 543 N THR A 34 9.111 -15.079 -9.498 1.00 0.00 N ATOM 544 CA THR A 34 10.168 -14.335 -8.827 1.00 0.00 C ATOM 545 C THR A 34 9.643 -13.624 -7.572 1.00 0.00 C ATOM 546 O THR A 34 10.226 -13.743 -6.497 1.00 0.00 O ATOM 547 CB THR A 34 10.838 -13.368 -9.815 1.00 0.00 C ATOM 548 OG1 THR A 34 11.207 -14.062 -10.991 1.00 0.00 O ATOM 549 CG2 THR A 34 12.106 -12.758 -9.211 1.00 0.00 C ATOM 0 H THR A 34 8.881 -14.743 -10.433 1.00 0.00 H new ATOM 0 HA THR A 34 10.929 -15.036 -8.482 1.00 0.00 H new ATOM 0 HB THR A 34 10.123 -12.577 -10.041 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.415 -14.202 -11.550 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.561 -12.077 -9.931 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.850 -12.209 -8.305 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.811 -13.552 -8.967 1.00 0.00 H new ATOM 557 N GLU A 35 8.556 -12.864 -7.715 1.00 0.00 N ATOM 558 CA GLU A 35 7.988 -12.046 -6.658 1.00 0.00 C ATOM 559 C GLU A 35 7.112 -12.878 -5.711 1.00 0.00 C ATOM 560 O GLU A 35 7.135 -12.652 -4.504 1.00 0.00 O ATOM 561 CB GLU A 35 7.200 -10.879 -7.282 1.00 0.00 C ATOM 562 CG GLU A 35 7.988 -10.080 -8.337 1.00 0.00 C ATOM 563 CD GLU A 35 9.336 -9.565 -7.842 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.370 -9.035 -6.711 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.306 -9.694 -8.622 1.00 0.00 O ATOM 0 H GLU A 35 8.039 -12.803 -8.592 1.00 0.00 H new ATOM 0 HA GLU A 35 8.798 -11.639 -6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.293 -11.272 -7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.886 -10.201 -6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.150 -10.711 -9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.384 -9.233 -8.663 1.00 0.00 H new ATOM 572 N PHE A 36 6.321 -13.817 -6.246 1.00 0.00 N ATOM 573 CA PHE A 36 5.293 -14.547 -5.504 1.00 0.00 C ATOM 574 C PHE A 36 5.417 -16.066 -5.709 1.00 0.00 C ATOM 575 O PHE A 36 4.502 -16.671 -6.271 1.00 0.00 O ATOM 576 CB PHE A 36 3.918 -14.045 -5.974 1.00 0.00 C ATOM 577 CG PHE A 36 3.728 -12.534 -5.976 1.00 0.00 C ATOM 578 CD1 PHE A 36 4.097 -11.762 -4.857 1.00 0.00 C ATOM 579 CD2 PHE A 36 3.210 -11.892 -7.117 1.00 0.00 C ATOM 580 CE1 PHE A 36 4.003 -10.361 -4.903 1.00 0.00 C ATOM 581 CE2 PHE A 36 3.090 -10.493 -7.154 1.00 0.00 C ATOM 582 CZ PHE A 36 3.508 -9.726 -6.054 1.00 0.00 C ATOM 0 H PHE A 36 6.381 -14.094 -7.226 1.00 0.00 H new ATOM 0 HA PHE A 36 5.418 -14.364 -4.437 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.743 -14.415 -6.984 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.153 -14.487 -5.336 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.453 -12.249 -3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.903 -12.479 -7.970 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.312 -9.772 -4.052 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.677 -10.008 -8.026 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.449 -8.648 -6.093 1.00 0.00 H new ATOM 726 N LEU A 46 -1.363 -21.617 -14.315 1.00 0.00 N ATOM 727 CA LEU A 46 -1.030 -20.308 -14.857 1.00 0.00 C ATOM 728 C LEU A 46 -1.883 -20.039 -16.085 1.00 0.00 C ATOM 729 O LEU A 46 -2.367 -18.928 -16.245 1.00 0.00 O ATOM 730 CB LEU A 46 0.461 -20.159 -15.174 1.00 0.00 C ATOM 731 CG LEU A 46 0.779 -18.742 -15.707 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.961 -18.177 -14.926 1.00 0.00 C ATOM 733 CD2 LEU A 46 1.086 -18.756 -17.209 1.00 0.00 C ATOM 0 HA LEU A 46 -1.248 -19.564 -14.091 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.048 -20.353 -14.276 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.755 -20.903 -15.914 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.098 -18.110 -15.567 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.195 -17.178 -15.293 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.706 -18.125 -13.868 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.828 -18.824 -15.059 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.304 -17.742 -17.545 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.949 -19.395 -17.398 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.224 -19.141 -17.753 1.00 0.00 H new ATOM 745 N ASP A 47 -2.094 -21.034 -16.946 1.00 0.00 N ATOM 746 CA ASP A 47 -2.961 -20.850 -18.097 1.00 0.00 C ATOM 747 C ASP A 47 -4.361 -20.407 -17.658 1.00 0.00 C ATOM 748 O ASP A 47 -4.881 -19.411 -18.161 1.00 0.00 O ATOM 749 CB ASP A 47 -3.006 -22.131 -18.929 1.00 0.00 C ATOM 750 CG ASP A 47 -3.705 -21.875 -20.258 1.00 0.00 C ATOM 751 OD1 ASP A 47 -3.017 -21.358 -21.166 1.00 0.00 O ATOM 752 OD2 ASP A 47 -4.912 -22.184 -20.338 1.00 0.00 O ATOM 0 H ASP A 47 -1.680 -21.963 -16.866 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.555 -20.057 -18.724 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.993 -22.493 -19.107 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.531 -22.912 -18.379 1.00 0.00 H new ATOM 757 N GLU A 48 -4.955 -21.122 -16.694 1.00 0.00 N ATOM 758 CA GLU A 48 -6.302 -20.812 -16.226 1.00 0.00 C ATOM 759 C GLU A 48 -6.330 -19.415 -15.600 1.00 0.00 C ATOM 760 O GLU A 48 -7.097 -18.546 -16.010 1.00 0.00 O ATOM 761 CB GLU A 48 -6.787 -21.874 -15.226 1.00 0.00 C ATOM 762 CG GLU A 48 -6.689 -23.311 -15.761 1.00 0.00 C ATOM 763 CD GLU A 48 -7.379 -23.488 -17.111 1.00 0.00 C ATOM 764 OE1 GLU A 48 -8.597 -23.214 -17.163 1.00 0.00 O ATOM 765 OE2 GLU A 48 -6.676 -23.898 -18.059 1.00 0.00 O ATOM 0 H GLU A 48 -4.520 -21.917 -16.226 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.982 -20.823 -17.078 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.200 -21.795 -14.311 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.823 -21.664 -14.959 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.639 -23.588 -15.856 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.135 -23.994 -15.038 1.00 0.00 H new ATOM 772 N LEU A 49 -5.454 -19.202 -14.616 1.00 0.00 N ATOM 773 CA LEU A 49 -5.286 -17.935 -13.927 1.00 0.00 C ATOM 774 C LEU A 49 -5.158 -16.816 -14.952 1.00 0.00 C ATOM 775 O LEU A 49 -5.909 -15.852 -14.898 1.00 0.00 O ATOM 776 CB LEU A 49 -4.057 -18.009 -13.007 1.00 0.00 C ATOM 777 CG LEU A 49 -3.712 -16.684 -12.303 1.00 0.00 C ATOM 778 CD1 LEU A 49 -4.860 -16.187 -11.416 1.00 0.00 C ATOM 779 CD2 LEU A 49 -2.455 -16.880 -11.448 1.00 0.00 C ATOM 0 H LEU A 49 -4.828 -19.930 -14.272 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.156 -17.724 -13.305 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.230 -18.775 -12.251 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.197 -18.330 -13.595 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.539 -15.931 -13.072 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.572 -15.250 -10.939 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.748 -16.026 -12.027 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.077 -16.932 -10.650 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.206 -15.944 -10.947 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.639 -17.653 -10.702 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.624 -17.182 -12.086 1.00 0.00 H new ATOM 791 N PHE A 50 -4.233 -16.953 -15.901 1.00 0.00 N ATOM 792 CA PHE A 50 -3.988 -15.973 -16.945 1.00 0.00 C ATOM 793 C PHE A 50 -5.264 -15.695 -17.732 1.00 0.00 C ATOM 794 O PHE A 50 -5.600 -14.537 -17.950 1.00 0.00 O ATOM 795 CB PHE A 50 -2.860 -16.437 -17.867 1.00 0.00 C ATOM 796 CG PHE A 50 -2.309 -15.343 -18.756 1.00 0.00 C ATOM 797 CD1 PHE A 50 -2.879 -15.077 -20.015 1.00 0.00 C ATOM 798 CD2 PHE A 50 -1.160 -14.644 -18.350 1.00 0.00 C ATOM 799 CE1 PHE A 50 -2.274 -14.141 -20.873 1.00 0.00 C ATOM 800 CE2 PHE A 50 -0.565 -13.704 -19.202 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.121 -13.451 -20.461 1.00 0.00 C ATOM 0 H PHE A 50 -3.623 -17.768 -15.962 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.674 -15.041 -16.476 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.050 -16.841 -17.260 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.226 -17.251 -18.493 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.779 -15.590 -20.321 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.733 -14.832 -17.376 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.696 -13.952 -21.849 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.322 -13.175 -18.887 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.664 -12.725 -21.117 1.00 0.00 H new ATOM 811 N GLU A 51 -5.988 -16.739 -18.148 1.00 0.00 N ATOM 812 CA GLU A 51 -7.254 -16.566 -18.849 1.00 0.00 C ATOM 813 C GLU A 51 -8.228 -15.718 -18.020 1.00 0.00 C ATOM 814 O GLU A 51 -8.871 -14.809 -18.540 1.00 0.00 O ATOM 815 CB GLU A 51 -7.839 -17.941 -19.207 1.00 0.00 C ATOM 816 CG GLU A 51 -9.024 -17.821 -20.171 1.00 0.00 C ATOM 817 CD GLU A 51 -9.597 -19.193 -20.508 1.00 0.00 C ATOM 818 OE1 GLU A 51 -10.450 -19.659 -19.722 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.170 -19.753 -21.541 1.00 0.00 O ATOM 0 H GLU A 51 -5.714 -17.712 -18.009 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.081 -16.023 -19.778 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.064 -18.559 -19.659 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.160 -18.448 -18.297 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.799 -17.199 -19.724 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.704 -17.322 -21.086 1.00 0.00 H new ATOM 826 N GLU A 52 -8.330 -16.014 -16.724 1.00 0.00 N ATOM 827 CA GLU A 52 -9.237 -15.318 -15.814 1.00 0.00 C ATOM 828 C GLU A 52 -8.786 -13.867 -15.597 1.00 0.00 C ATOM 829 O GLU A 52 -9.600 -12.952 -15.510 1.00 0.00 O ATOM 830 CB GLU A 52 -9.287 -16.067 -14.476 1.00 0.00 C ATOM 831 CG GLU A 52 -9.893 -17.471 -14.609 1.00 0.00 C ATOM 832 CD GLU A 52 -9.594 -18.314 -13.373 1.00 0.00 C ATOM 833 OE1 GLU A 52 -10.023 -17.882 -12.281 1.00 0.00 O ATOM 834 OE2 GLU A 52 -8.930 -19.360 -13.535 1.00 0.00 O ATOM 0 H GLU A 52 -7.782 -16.748 -16.275 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.233 -15.296 -16.255 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.278 -16.147 -14.071 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.873 -15.489 -13.761 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.971 -17.394 -14.749 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.491 -17.962 -15.495 1.00 0.00 H new ATOM 841 N LEU A 53 -7.478 -13.683 -15.447 1.00 0.00 N ATOM 842 CA LEU A 53 -6.796 -12.442 -15.120 1.00 0.00 C ATOM 843 C LEU A 53 -6.890 -11.480 -16.305 1.00 0.00 C ATOM 844 O LEU A 53 -7.360 -10.349 -16.181 1.00 0.00 O ATOM 845 CB LEU A 53 -5.340 -12.836 -14.805 1.00 0.00 C ATOM 846 CG LEU A 53 -4.403 -11.823 -14.139 1.00 0.00 C ATOM 847 CD1 LEU A 53 -2.999 -12.456 -14.130 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.364 -10.458 -14.827 1.00 0.00 C ATOM 0 H LEU A 53 -6.822 -14.456 -15.560 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.240 -11.927 -14.268 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.373 -13.718 -14.165 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.876 -13.140 -15.743 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.775 -11.618 -13.135 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.293 -11.769 -13.663 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.024 -13.389 -13.567 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.685 -12.659 -15.154 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.678 -9.801 -14.293 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.025 -10.579 -15.856 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.362 -10.020 -14.823 1.00 0.00 H new ATOM 860 N ASP A 54 -6.418 -11.931 -17.467 1.00 0.00 N ATOM 861 CA ASP A 54 -6.196 -11.131 -18.659 1.00 0.00 C ATOM 862 C ASP A 54 -7.494 -10.901 -19.441 1.00 0.00 C ATOM 863 O ASP A 54 -7.550 -11.139 -20.646 1.00 0.00 O ATOM 864 CB ASP A 54 -5.152 -11.853 -19.521 1.00 0.00 C ATOM 865 CG ASP A 54 -4.518 -10.943 -20.566 1.00 0.00 C ATOM 866 OD1 ASP A 54 -4.899 -9.756 -20.617 1.00 0.00 O ATOM 867 OD2 ASP A 54 -3.654 -11.453 -21.308 1.00 0.00 O ATOM 0 H ASP A 54 -6.170 -12.911 -17.603 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.834 -10.143 -18.374 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.372 -12.257 -18.876 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.623 -12.700 -20.021 1.00 0.00 H new ATOM 872 N LYS A 55 -8.535 -10.440 -18.747 1.00 0.00 N ATOM 873 CA LYS A 55 -9.900 -10.361 -19.255 1.00 0.00 C ATOM 874 C LYS A 55 -9.993 -9.672 -20.621 1.00 0.00 C ATOM 875 O LYS A 55 -10.708 -10.141 -21.502 1.00 0.00 O ATOM 876 CB LYS A 55 -10.793 -9.641 -18.235 1.00 0.00 C ATOM 877 CG LYS A 55 -10.942 -10.445 -16.938 1.00 0.00 C ATOM 878 CD LYS A 55 -11.876 -9.715 -15.964 1.00 0.00 C ATOM 879 CE LYS A 55 -12.201 -10.576 -14.737 1.00 0.00 C ATOM 880 NZ LYS A 55 -10.986 -10.988 -14.012 1.00 0.00 N ATOM 0 H LYS A 55 -8.447 -10.102 -17.789 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.247 -11.384 -19.399 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.370 -8.662 -18.009 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.777 -9.470 -18.671 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.339 -11.436 -17.160 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.965 -10.589 -16.477 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.410 -8.784 -15.642 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.800 -9.448 -16.477 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.852 -10.017 -14.065 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.753 -11.462 -15.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.242 -11.294 -13.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.531 -11.775 -14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.327 -10.186 -13.955 1.00 0.00 H new ATOM 923 N GLY A 59 -3.909 -12.487 -23.858 1.00 0.00 N ATOM 924 CA GLY A 59 -2.670 -12.664 -24.596 1.00 0.00 C ATOM 925 C GLY A 59 -1.530 -11.986 -23.845 1.00 0.00 C ATOM 926 O GLY A 59 -0.497 -12.608 -23.588 1.00 0.00 O ATOM 0 HA2 GLY A 59 -2.457 -13.726 -24.721 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.765 -12.239 -25.595 1.00 0.00 H new ATOM 930 N GLU A 60 -1.730 -10.715 -23.473 1.00 0.00 N ATOM 931 CA GLU A 60 -0.801 -9.949 -22.656 1.00 0.00 C ATOM 932 C GLU A 60 -1.565 -9.139 -21.600 1.00 0.00 C ATOM 933 O GLU A 60 -2.519 -8.439 -21.927 1.00 0.00 O ATOM 934 CB GLU A 60 0.072 -9.040 -23.534 1.00 0.00 C ATOM 935 CG GLU A 60 0.810 -9.752 -24.678 1.00 0.00 C ATOM 936 CD GLU A 60 -0.056 -9.962 -25.922 1.00 0.00 C ATOM 937 OE1 GLU A 60 -0.630 -8.958 -26.393 1.00 0.00 O ATOM 938 OE2 GLU A 60 -0.120 -11.122 -26.381 1.00 0.00 O ATOM 0 H GLU A 60 -2.561 -10.187 -23.741 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.138 -10.641 -22.137 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.558 -8.259 -23.959 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.808 -8.546 -22.899 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.690 -9.169 -24.951 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.166 -10.720 -24.324 1.00 0.00 H new ATOM 945 N VAL A 61 -1.115 -9.203 -20.345 1.00 0.00 N ATOM 946 CA VAL A 61 -1.751 -8.597 -19.182 1.00 0.00 C ATOM 947 C VAL A 61 -1.246 -7.164 -19.024 1.00 0.00 C ATOM 948 O VAL A 61 -0.063 -6.958 -18.754 1.00 0.00 O ATOM 949 CB VAL A 61 -1.397 -9.445 -17.943 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.795 -8.786 -16.616 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.086 -10.807 -18.021 1.00 0.00 C ATOM 0 H VAL A 61 -0.258 -9.702 -20.105 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.834 -8.567 -19.300 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.312 -9.547 -17.955 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.516 -9.438 -15.788 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.280 -7.831 -16.515 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.872 -8.621 -16.601 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.828 -11.396 -17.141 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.166 -10.667 -18.060 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.756 -11.331 -18.918 1.00 0.00 H new ATOM 961 N SER A 62 -2.131 -6.179 -19.190 1.00 0.00 N ATOM 962 CA SER A 62 -1.833 -4.770 -18.951 1.00 0.00 C ATOM 963 C SER A 62 -1.881 -4.451 -17.460 1.00 0.00 C ATOM 964 O SER A 62 -2.516 -5.176 -16.696 1.00 0.00 O ATOM 965 CB SER A 62 -2.819 -3.909 -19.746 1.00 0.00 C ATOM 966 OG SER A 62 -2.907 -4.406 -21.066 1.00 0.00 O ATOM 0 H SER A 62 -3.089 -6.343 -19.499 1.00 0.00 H new ATOM 0 HA SER A 62 -0.821 -4.547 -19.290 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.800 -3.926 -19.272 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.488 -2.871 -19.756 1.00 0.00 H new ATOM 0 HG SER A 62 -3.538 -3.860 -21.580 1.00 0.00 H new ATOM 972 N PHE A 63 -1.248 -3.351 -17.036 1.00 0.00 N ATOM 973 CA PHE A 63 -1.209 -2.952 -15.631 1.00 0.00 C ATOM 974 C PHE A 63 -2.615 -2.878 -15.025 1.00 0.00 C ATOM 975 O PHE A 63 -2.826 -3.184 -13.852 1.00 0.00 O ATOM 976 CB PHE A 63 -0.478 -1.611 -15.471 1.00 0.00 C ATOM 977 CG PHE A 63 -0.343 -1.156 -14.027 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.234 -2.014 -13.070 1.00 0.00 C ATOM 979 CD2 PHE A 63 -0.889 0.074 -13.619 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.179 -1.687 -11.704 1.00 0.00 C ATOM 981 CE2 PHE A 63 -0.907 0.420 -12.255 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.402 -0.475 -11.296 1.00 0.00 C ATOM 0 H PHE A 63 -0.750 -2.715 -17.659 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.657 -3.717 -15.086 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.516 -1.695 -15.911 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.013 -0.847 -16.035 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.720 -2.925 -13.387 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.295 0.754 -14.353 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.583 -2.367 -10.969 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.309 1.373 -11.945 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.461 -0.231 -10.246 1.00 0.00 H new ATOM 992 N GLU A 64 -3.597 -2.485 -15.836 1.00 0.00 N ATOM 993 CA GLU A 64 -5.002 -2.458 -15.459 1.00 0.00 C ATOM 994 C GLU A 64 -5.448 -3.844 -14.988 1.00 0.00 C ATOM 995 O GLU A 64 -6.079 -3.985 -13.945 1.00 0.00 O ATOM 996 CB GLU A 64 -5.857 -1.975 -16.642 1.00 0.00 C ATOM 997 CG GLU A 64 -5.609 -0.503 -17.021 1.00 0.00 C ATOM 998 CD GLU A 64 -4.218 -0.221 -17.587 1.00 0.00 C ATOM 999 OE1 GLU A 64 -3.670 -1.137 -18.244 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -3.708 0.889 -17.324 1.00 0.00 O ATOM 0 H GLU A 64 -3.430 -2.171 -16.792 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.137 -1.759 -14.633 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.652 -2.604 -17.508 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.911 -2.105 -16.395 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.355 -0.199 -17.756 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.761 0.117 -16.138 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.101 -4.873 -15.759 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.473 -6.246 -15.459 1.00 0.00 C ATOM 1009 C GLU A 65 -4.594 -6.767 -14.321 1.00 0.00 C ATOM 1010 O GLU A 65 -5.053 -7.495 -13.442 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.333 -7.075 -16.739 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.297 -6.562 -17.818 1.00 0.00 C ATOM 1013 CD GLU A 65 -5.973 -7.153 -19.179 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -4.854 -6.873 -19.663 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -6.857 -7.857 -19.713 1.00 0.00 O ATOM 0 H GLU A 65 -4.551 -4.773 -16.612 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.508 -6.316 -15.124 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.307 -7.022 -17.104 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.541 -8.123 -16.525 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.321 -6.817 -17.544 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.242 -5.475 -17.870 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.326 -6.357 -14.297 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.433 -6.714 -13.211 1.00 0.00 C ATOM 1024 C PHE A 66 -2.996 -6.224 -11.878 1.00 0.00 C ATOM 1025 O PHE A 66 -2.996 -6.955 -10.901 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.029 -6.172 -13.459 1.00 0.00 C ATOM 1027 CG PHE A 66 0.006 -6.816 -12.564 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.544 -8.073 -12.900 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.433 -6.164 -11.395 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.589 -8.617 -12.136 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.472 -6.714 -10.627 1.00 0.00 C ATOM 1032 CZ PHE A 66 2.069 -7.925 -11.011 1.00 0.00 C ATOM 0 H PHE A 66 -2.900 -5.778 -15.020 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.358 -7.800 -13.165 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.758 -6.338 -14.501 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.025 -5.094 -13.297 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.153 -8.619 -13.746 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.037 -5.241 -11.088 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.023 -9.566 -12.413 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.813 -6.204 -9.738 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.896 -8.324 -10.443 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.535 -5.008 -11.815 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.224 -4.557 -10.612 1.00 0.00 C ATOM 1044 C GLN A 67 -5.379 -5.494 -10.228 1.00 0.00 C ATOM 1045 O GLN A 67 -5.613 -5.704 -9.040 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.682 -3.109 -10.782 1.00 0.00 C ATOM 1047 CG GLN A 67 -3.477 -2.163 -10.702 1.00 0.00 C ATOM 1048 CD GLN A 67 -3.808 -0.811 -11.315 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -4.045 0.167 -10.614 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -3.829 -0.759 -12.640 1.00 0.00 N ATOM 0 H GLN A 67 -3.508 -4.326 -12.573 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.522 -4.591 -9.779 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.186 -2.989 -11.741 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.406 -2.855 -10.008 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.180 -2.032 -9.661 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.627 -2.605 -11.223 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.626 -1.596 -13.187 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.048 0.118 -13.113 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.081 -6.102 -11.193 1.00 0.00 N ATOM 1060 CA VAL A 68 -7.059 -7.139 -10.870 1.00 0.00 C ATOM 1061 C VAL A 68 -6.344 -8.333 -10.227 1.00 0.00 C ATOM 1062 O VAL A 68 -6.788 -8.819 -9.188 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.927 -7.535 -12.080 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -9.023 -8.518 -11.650 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.602 -6.305 -12.701 1.00 0.00 C ATOM 0 H VAL A 68 -5.990 -5.896 -12.188 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.766 -6.736 -10.145 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.270 -8.000 -12.815 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.628 -8.789 -12.515 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.564 -9.415 -11.233 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.656 -8.050 -10.896 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.208 -6.614 -13.553 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.238 -5.825 -11.958 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.840 -5.601 -13.035 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.214 -8.782 -10.792 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.371 -9.777 -10.125 1.00 0.00 C ATOM 1077 C LEU A 69 -4.058 -9.337 -8.688 1.00 0.00 C ATOM 1078 O LEU A 69 -4.178 -10.142 -7.767 1.00 0.00 O ATOM 1079 CB LEU A 69 -3.088 -10.082 -10.926 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.173 -11.126 -10.261 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -2.730 -12.550 -10.335 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -0.764 -11.054 -10.846 1.00 0.00 C ATOM 0 H LEU A 69 -4.868 -8.474 -11.701 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.930 -10.711 -10.078 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.366 -10.436 -11.919 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.528 -9.157 -11.063 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.129 -10.875 -9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.038 -13.237 -9.848 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.695 -12.590 -9.831 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.854 -12.838 -11.379 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.131 -11.799 -10.364 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.804 -11.251 -11.917 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.349 -10.061 -10.675 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.688 -8.071 -8.467 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.393 -7.570 -7.129 1.00 0.00 C ATOM 1096 C VAL A 70 -4.578 -7.793 -6.178 1.00 0.00 C ATOM 1097 O VAL A 70 -4.372 -8.164 -5.025 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.889 -6.112 -7.137 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.606 -5.615 -5.713 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.581 -5.985 -7.930 1.00 0.00 C ATOM 0 H VAL A 70 -3.587 -7.374 -9.205 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.561 -8.157 -6.739 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.676 -5.515 -7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.252 -4.585 -5.751 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.521 -5.663 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.844 -6.244 -5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.248 -4.947 -7.919 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.817 -6.616 -7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.747 -6.302 -8.959 1.00 0.00 H new