USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 527 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 21 ASN : amide:sc= 1.12 K(o=3.1,f=1.6) USER MOD Set 1.2: A 22 GLN : amide:sc= 2.03 K(o=3.1,f=1.6) USER MOD Set 2.1: A 12 LYS NZ :NH3+ 161:sc= 0.723 (180deg=0.536) USER MOD Set 2.2: A 13 TYR OH : rot -39:sc= 0.565 USER MOD Set 2.3: A 34 THR OG1 : rot 69:sc= 1.87 USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0523) USER MOD Single : A 16 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.035) USER MOD Single : A 24 SER OG : rot -161:sc= 1.57 USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= 1.1 (180deg=0.774) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.19) USER MOD Single : A 45 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 0.934 (180deg=0.746) USER MOD Single : A 56 ASN : amide:sc= 1.24 K(o=1.2,f=-0.064) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.4) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0306) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0373) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0.683 K(o=0.68,f=-0.00045) USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 3 -12.651 2.103 -5.925 1.00 0.00 N ATOM 37 CA PRO A 3 -11.309 2.435 -5.446 1.00 0.00 C ATOM 38 C PRO A 3 -11.348 3.157 -4.093 1.00 0.00 C ATOM 39 O PRO A 3 -10.418 3.030 -3.302 1.00 0.00 O ATOM 40 CB PRO A 3 -10.668 3.294 -6.536 1.00 0.00 C ATOM 41 CG PRO A 3 -11.355 2.781 -7.798 1.00 0.00 C ATOM 42 CD PRO A 3 -12.783 2.536 -7.308 1.00 0.00 C ATOM 0 HA PRO A 3 -10.723 1.533 -5.269 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.851 4.357 -6.377 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.587 3.159 -6.578 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.321 3.512 -8.606 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.891 1.869 -8.173 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.383 3.443 -7.380 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.280 1.776 -7.911 1.00 0.00 H new ATOM 50 N GLU A 4 -12.439 3.885 -3.819 1.00 0.00 N ATOM 51 CA GLU A 4 -12.708 4.553 -2.552 1.00 0.00 C ATOM 52 C GLU A 4 -12.424 3.601 -1.377 1.00 0.00 C ATOM 53 O GLU A 4 -11.893 4.016 -0.354 1.00 0.00 O ATOM 54 CB GLU A 4 -14.166 5.041 -2.579 1.00 0.00 C ATOM 55 CG GLU A 4 -14.661 5.657 -1.259 1.00 0.00 C ATOM 56 CD GLU A 4 -15.046 4.620 -0.203 1.00 0.00 C ATOM 57 OE1 GLU A 4 -15.601 3.573 -0.606 1.00 0.00 O ATOM 58 OE2 GLU A 4 -14.781 4.895 0.986 1.00 0.00 O ATOM 0 H GLU A 4 -13.182 4.026 -4.503 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.053 5.413 -2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.273 5.781 -3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.811 4.201 -2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.881 6.302 -0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.524 6.290 -1.465 1.00 0.00 H new ATOM 65 N GLU A 5 -12.761 2.318 -1.522 1.00 0.00 N ATOM 66 CA GLU A 5 -12.521 1.308 -0.501 1.00 0.00 C ATOM 67 C GLU A 5 -11.030 1.267 -0.168 1.00 0.00 C ATOM 68 O GLU A 5 -10.607 1.335 0.985 1.00 0.00 O ATOM 69 CB GLU A 5 -12.927 -0.077 -1.024 1.00 0.00 C ATOM 70 CG GLU A 5 -14.419 -0.178 -1.335 1.00 0.00 C ATOM 71 CD GLU A 5 -15.259 -0.552 -0.113 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.144 0.158 0.908 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.993 -1.558 -0.224 1.00 0.00 O ATOM 0 H GLU A 5 -13.212 1.952 -2.361 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.107 1.560 0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.357 -0.302 -1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.663 -0.832 -0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.768 0.776 -1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.572 -0.922 -2.116 1.00 0.00 H new ATOM 80 N LEU A 6 -10.229 1.158 -1.225 1.00 0.00 N ATOM 81 CA LEU A 6 -8.786 1.028 -1.134 1.00 0.00 C ATOM 82 C LEU A 6 -8.190 2.355 -0.683 1.00 0.00 C ATOM 83 O LEU A 6 -7.181 2.371 0.011 1.00 0.00 O ATOM 84 CB LEU A 6 -8.215 0.484 -2.449 1.00 0.00 C ATOM 85 CG LEU A 6 -8.561 -1.012 -2.603 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.525 -1.428 -4.076 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.602 -1.910 -1.809 1.00 0.00 C ATOM 0 H LEU A 6 -10.576 1.158 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.507 0.294 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.620 1.047 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.133 0.618 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.567 -1.142 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.772 -2.486 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.250 -0.840 -4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.527 -1.255 -4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.883 -2.954 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.583 -1.759 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.658 -1.656 -0.751 1.00 0.00 H new ATOM 99 N LYS A 7 -8.822 3.471 -1.046 1.00 0.00 N ATOM 100 CA LYS A 7 -8.421 4.788 -0.586 1.00 0.00 C ATOM 101 C LYS A 7 -8.598 4.841 0.933 1.00 0.00 C ATOM 102 O LYS A 7 -7.703 5.284 1.648 1.00 0.00 O ATOM 103 CB LYS A 7 -9.268 5.846 -1.303 1.00 0.00 C ATOM 104 CG LYS A 7 -8.918 7.299 -0.935 1.00 0.00 C ATOM 105 CD LYS A 7 -7.486 7.705 -1.304 1.00 0.00 C ATOM 106 CE LYS A 7 -7.192 9.163 -0.934 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.175 9.370 0.526 1.00 0.00 N ATOM 0 H LYS A 7 -9.629 3.480 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.375 4.990 -0.817 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.151 5.719 -2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.319 5.669 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.616 7.969 -1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.059 7.436 0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.780 7.051 -0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.333 7.564 -2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.229 9.456 -1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.946 9.810 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.841 10.332 0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.135 9.246 0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.537 8.678 0.967 1.00 0.00 H new ATOM 121 N GLY A 8 -9.750 4.373 1.421 1.00 0.00 N ATOM 122 CA GLY A 8 -10.066 4.342 2.836 1.00 0.00 C ATOM 123 C GLY A 8 -9.030 3.496 3.562 1.00 0.00 C ATOM 124 O GLY A 8 -8.426 3.942 4.530 1.00 0.00 O ATOM 0 H GLY A 8 -10.494 4.002 0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.075 5.354 3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.063 3.928 2.989 1.00 0.00 H new ATOM 128 N ILE A 9 -8.815 2.271 3.082 1.00 0.00 N ATOM 129 CA ILE A 9 -7.845 1.336 3.639 1.00 0.00 C ATOM 130 C ILE A 9 -6.446 1.965 3.657 1.00 0.00 C ATOM 131 O ILE A 9 -5.791 2.003 4.699 1.00 0.00 O ATOM 132 CB ILE A 9 -7.914 0.038 2.818 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.273 -0.666 3.010 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.740 -0.905 3.095 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.364 -1.524 4.277 1.00 0.00 C ATOM 0 H ILE A 9 -9.321 1.896 2.280 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.077 1.098 4.677 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.827 0.323 1.769 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.059 0.088 3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.468 -1.297 2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.844 -1.804 2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.804 -0.404 2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.735 -1.180 4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.351 -1.983 4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.603 -2.303 4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.203 -0.897 5.154 1.00 0.00 H new ATOM 147 N PHE A 10 -5.982 2.465 2.507 1.00 0.00 N ATOM 148 CA PHE A 10 -4.696 3.132 2.367 1.00 0.00 C ATOM 149 C PHE A 10 -4.573 4.212 3.440 1.00 0.00 C ATOM 150 O PHE A 10 -3.609 4.221 4.195 1.00 0.00 O ATOM 151 CB PHE A 10 -4.592 3.762 0.968 1.00 0.00 C ATOM 152 CG PHE A 10 -3.403 4.683 0.781 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.478 6.001 1.274 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.149 4.162 0.417 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.329 6.597 1.808 1.00 0.00 C ATOM 156 CE2 PHE A 10 -0.991 4.913 0.684 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.075 6.048 1.507 1.00 0.00 C ATOM 0 H PHE A 10 -6.505 2.413 1.633 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.889 2.409 2.489 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.538 2.964 0.227 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.505 4.322 0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.410 6.545 1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.076 3.197 -0.062 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.408 7.467 2.443 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.043 4.619 0.259 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.177 6.496 1.906 1.00 0.00 H new ATOM 167 N GLU A 11 -5.552 5.118 3.500 1.00 0.00 N ATOM 168 CA GLU A 11 -5.567 6.220 4.447 1.00 0.00 C ATOM 169 C GLU A 11 -5.514 5.692 5.881 1.00 0.00 C ATOM 170 O GLU A 11 -4.744 6.187 6.699 1.00 0.00 O ATOM 171 CB GLU A 11 -6.804 7.091 4.187 1.00 0.00 C ATOM 172 CG GLU A 11 -6.737 8.418 4.952 1.00 0.00 C ATOM 173 CD GLU A 11 -7.932 9.306 4.619 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.022 9.718 3.442 1.00 0.00 O ATOM 175 OE2 GLU A 11 -8.737 9.550 5.543 1.00 0.00 O ATOM 0 H GLU A 11 -6.363 5.101 2.882 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.683 6.843 4.311 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.890 7.291 3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.701 6.546 4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.713 8.222 6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.813 8.939 4.702 1.00 0.00 H new ATOM 182 N LYS A 12 -6.330 4.681 6.185 1.00 0.00 N ATOM 183 CA LYS A 12 -6.393 4.061 7.497 1.00 0.00 C ATOM 184 C LYS A 12 -4.999 3.604 7.909 1.00 0.00 C ATOM 185 O LYS A 12 -4.532 3.965 8.986 1.00 0.00 O ATOM 186 CB LYS A 12 -7.405 2.905 7.495 1.00 0.00 C ATOM 187 CG LYS A 12 -7.655 2.334 8.902 1.00 0.00 C ATOM 188 CD LYS A 12 -7.112 0.909 9.092 1.00 0.00 C ATOM 189 CE LYS A 12 -7.887 -0.123 8.259 1.00 0.00 C ATOM 190 NZ LYS A 12 -7.625 -1.500 8.719 1.00 0.00 N ATOM 0 H LYS A 12 -6.974 4.268 5.510 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.740 4.786 8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.349 3.254 7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.042 2.110 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.194 2.991 9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.727 2.335 9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.059 0.883 8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.168 0.638 10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.955 0.085 8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.606 -0.030 7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.377 -2.130 8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.708 -1.821 8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.605 -1.521 9.759 1.00 0.00 H new ATOM 204 N TYR A 13 -4.315 2.825 7.067 1.00 0.00 N ATOM 205 CA TYR A 13 -2.978 2.383 7.420 1.00 0.00 C ATOM 206 C TYR A 13 -2.026 3.563 7.465 1.00 0.00 C ATOM 207 O TYR A 13 -1.284 3.679 8.428 1.00 0.00 O ATOM 208 CB TYR A 13 -2.488 1.261 6.514 1.00 0.00 C ATOM 209 CG TYR A 13 -2.997 -0.074 6.991 1.00 0.00 C ATOM 210 CD1 TYR A 13 -2.363 -0.739 8.060 1.00 0.00 C ATOM 211 CD2 TYR A 13 -4.223 -0.546 6.501 1.00 0.00 C ATOM 212 CE1 TYR A 13 -3.032 -1.785 8.715 1.00 0.00 C ATOM 213 CE2 TYR A 13 -4.788 -1.705 7.036 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.227 -2.295 8.180 1.00 0.00 C ATOM 215 OH TYR A 13 -4.880 -3.316 8.796 1.00 0.00 O ATOM 0 H TYR A 13 -4.658 2.499 6.163 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.013 1.955 8.422 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.824 1.439 5.493 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.398 1.254 6.494 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.371 -0.446 8.372 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.730 -0.013 5.710 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.629 -2.197 9.628 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.656 -2.148 6.570 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.228 -3.962 9.140 1.00 0.00 H new ATOM 225 N ALA A 14 -2.030 4.455 6.476 1.00 0.00 N ATOM 226 CA ALA A 14 -1.145 5.616 6.518 1.00 0.00 C ATOM 227 C ALA A 14 -1.268 6.340 7.873 1.00 0.00 C ATOM 228 O ALA A 14 -0.282 6.728 8.501 1.00 0.00 O ATOM 229 CB ALA A 14 -1.491 6.520 5.337 1.00 0.00 C ATOM 0 H ALA A 14 -2.625 4.398 5.650 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.102 5.311 6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.842 7.396 5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.348 5.973 4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.531 6.838 5.415 1.00 0.00 H new ATOM 235 N ALA A 15 -2.506 6.490 8.347 1.00 0.00 N ATOM 236 CA ALA A 15 -2.819 7.156 9.595 1.00 0.00 C ATOM 237 C ALA A 15 -2.347 6.390 10.837 1.00 0.00 C ATOM 238 O ALA A 15 -2.270 6.998 11.900 1.00 0.00 O ATOM 239 CB ALA A 15 -4.325 7.422 9.665 1.00 0.00 C ATOM 0 H ALA A 15 -3.330 6.142 7.858 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.268 8.097 9.602 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.563 7.923 10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.622 8.056 8.830 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.864 6.476 9.612 1.00 0.00 H new ATOM 245 N LYS A 16 -2.040 5.085 10.750 1.00 0.00 N ATOM 246 CA LYS A 16 -1.606 4.303 11.907 1.00 0.00 C ATOM 247 C LYS A 16 -0.422 4.980 12.605 1.00 0.00 C ATOM 248 O LYS A 16 -0.500 5.325 13.780 1.00 0.00 O ATOM 249 CB LYS A 16 -1.239 2.865 11.525 1.00 0.00 C ATOM 250 CG LYS A 16 -1.866 1.858 12.488 1.00 0.00 C ATOM 251 CD LYS A 16 -3.211 1.360 11.956 1.00 0.00 C ATOM 252 CE LYS A 16 -4.337 2.386 11.848 1.00 0.00 C ATOM 253 NZ LYS A 16 -4.784 2.863 13.169 1.00 0.00 N ATOM 0 H LYS A 16 -2.087 4.552 9.882 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.449 4.258 12.596 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.576 2.659 10.509 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.155 2.750 11.530 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.191 1.014 12.629 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.005 2.321 13.465 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.047 0.932 10.967 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.552 0.550 12.601 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.998 3.234 11.253 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.181 1.943 11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.823 2.844 13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.396 2.246 13.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.449 3.836 13.318 1.00 0.00 H new ATOM 267 N GLU A 17 0.681 5.151 11.870 1.00 0.00 N ATOM 268 CA GLU A 17 1.887 5.779 12.386 1.00 0.00 C ATOM 269 C GLU A 17 1.705 7.295 12.483 1.00 0.00 C ATOM 270 O GLU A 17 2.179 7.896 13.443 1.00 0.00 O ATOM 271 CB GLU A 17 3.098 5.383 11.531 1.00 0.00 C ATOM 272 CG GLU A 17 3.486 3.920 11.814 1.00 0.00 C ATOM 273 CD GLU A 17 4.441 3.356 10.768 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.355 4.106 10.355 1.00 0.00 O ATOM 275 OE2 GLU A 17 4.242 2.184 10.382 1.00 0.00 O ATOM 0 H GLU A 17 0.756 4.854 10.897 1.00 0.00 H new ATOM 0 HA GLU A 17 2.077 5.420 13.398 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.864 5.508 10.474 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.939 6.040 11.751 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.950 3.855 12.798 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.585 3.308 11.846 1.00 0.00 H new ATOM 282 N GLY A 18 1.029 7.928 11.518 1.00 0.00 N ATOM 283 CA GLY A 18 0.813 9.365 11.603 1.00 0.00 C ATOM 284 C GLY A 18 0.318 9.988 10.304 1.00 0.00 C ATOM 285 O GLY A 18 -0.873 10.240 10.155 1.00 0.00 O ATOM 0 H GLY A 18 0.634 7.478 10.693 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.089 9.569 12.392 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.746 9.847 11.894 1.00 0.00 H new ATOM 289 N ASP A 19 1.236 10.265 9.374 1.00 0.00 N ATOM 290 CA ASP A 19 0.931 10.918 8.105 1.00 0.00 C ATOM 291 C ASP A 19 -0.165 10.154 7.348 1.00 0.00 C ATOM 292 O ASP A 19 0.099 9.048 6.893 1.00 0.00 O ATOM 293 CB ASP A 19 2.213 11.026 7.268 1.00 0.00 C ATOM 294 CG ASP A 19 1.984 11.858 6.010 1.00 0.00 C ATOM 295 OD1 ASP A 19 1.168 11.411 5.175 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.618 12.930 5.910 1.00 0.00 O ATOM 0 H ASP A 19 2.224 10.038 9.486 1.00 0.00 H new ATOM 0 HA ASP A 19 0.552 11.921 8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.004 11.478 7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.554 10.029 6.990 1.00 0.00 H new ATOM 301 N PRO A 20 -1.381 10.701 7.182 1.00 0.00 N ATOM 302 CA PRO A 20 -2.475 9.985 6.539 1.00 0.00 C ATOM 303 C PRO A 20 -2.320 9.849 5.018 1.00 0.00 C ATOM 304 O PRO A 20 -3.111 9.145 4.395 1.00 0.00 O ATOM 305 CB PRO A 20 -3.732 10.781 6.900 1.00 0.00 C ATOM 306 CG PRO A 20 -3.210 12.212 7.020 1.00 0.00 C ATOM 307 CD PRO A 20 -1.824 12.013 7.633 1.00 0.00 C ATOM 0 HA PRO A 20 -2.509 8.954 6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.499 10.694 6.131 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.176 10.434 7.833 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.157 12.706 6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.850 12.825 7.655 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.136 12.793 7.307 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.866 12.060 8.721 1.00 0.00 H new ATOM 315 N ASN A 21 -1.335 10.506 4.395 1.00 0.00 N ATOM 316 CA ASN A 21 -1.119 10.459 2.958 1.00 0.00 C ATOM 317 C ASN A 21 -0.036 9.447 2.576 1.00 0.00 C ATOM 318 O ASN A 21 -0.062 8.945 1.454 1.00 0.00 O ATOM 319 CB ASN A 21 -0.774 11.864 2.460 1.00 0.00 C ATOM 320 CG ASN A 21 -0.413 11.842 0.983 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.267 11.709 0.117 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.862 11.966 0.662 1.00 0.00 N ATOM 0 H ASN A 21 -0.660 11.091 4.888 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.036 10.121 2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.622 12.530 2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.060 12.264 3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.145 11.952 -0.318 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.564 12.076 1.394 1.00 0.00 H new ATOM 329 N GLN A 22 0.911 9.143 3.476 1.00 0.00 N ATOM 330 CA GLN A 22 1.993 8.204 3.198 1.00 0.00 C ATOM 331 C GLN A 22 1.931 6.904 4.006 1.00 0.00 C ATOM 332 O GLN A 22 1.690 6.909 5.207 1.00 0.00 O ATOM 333 CB GLN A 22 3.370 8.814 3.481 1.00 0.00 C ATOM 334 CG GLN A 22 3.904 9.841 2.475 1.00 0.00 C ATOM 335 CD GLN A 22 3.734 11.244 3.031 1.00 0.00 C ATOM 336 OE1 GLN A 22 2.949 12.040 2.534 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.466 11.568 4.084 1.00 0.00 N ATOM 0 H GLN A 22 0.943 9.544 4.413 1.00 0.00 H new ATOM 0 HA GLN A 22 1.856 7.978 2.140 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.333 9.289 4.461 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.092 8.000 3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.956 9.647 2.268 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.371 9.748 1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.114 10.889 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.382 12.497 4.497 1.00 0.00 H new ATOM 346 N LEU A 23 2.217 5.792 3.331 1.00 0.00 N ATOM 347 CA LEU A 23 2.353 4.462 3.903 1.00 0.00 C ATOM 348 C LEU A 23 3.846 4.216 4.100 1.00 0.00 C ATOM 349 O LEU A 23 4.549 3.971 3.126 1.00 0.00 O ATOM 350 CB LEU A 23 1.870 3.416 2.897 1.00 0.00 C ATOM 351 CG LEU A 23 0.400 3.029 2.986 1.00 0.00 C ATOM 352 CD1 LEU A 23 0.114 2.060 1.829 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.040 2.334 4.298 1.00 0.00 C ATOM 0 H LEU A 23 2.367 5.799 2.322 1.00 0.00 H new ATOM 0 HA LEU A 23 1.782 4.392 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.066 3.790 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.470 2.515 3.024 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.196 3.940 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.933 1.758 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.323 2.554 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.749 1.179 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.021 2.084 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.627 1.421 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.256 3.000 5.134 1.00 0.00 H new ATOM 365 N SER A 24 4.364 4.260 5.320 1.00 0.00 N ATOM 366 CA SER A 24 5.786 3.997 5.513 1.00 0.00 C ATOM 367 C SER A 24 6.102 2.550 5.116 1.00 0.00 C ATOM 368 O SER A 24 5.202 1.718 5.002 1.00 0.00 O ATOM 369 CB SER A 24 6.209 4.291 6.957 1.00 0.00 C ATOM 370 OG SER A 24 5.806 3.243 7.813 1.00 0.00 O ATOM 0 H SER A 24 3.840 4.469 6.170 1.00 0.00 H new ATOM 0 HA SER A 24 6.361 4.664 4.871 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.291 4.414 7.007 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.766 5.230 7.288 1.00 0.00 H new ATOM 0 HG SER A 24 5.795 3.563 8.739 1.00 0.00 H new ATOM 376 N LYS A 25 7.381 2.231 4.916 1.00 0.00 N ATOM 377 CA LYS A 25 7.808 0.868 4.617 1.00 0.00 C ATOM 378 C LYS A 25 7.248 -0.080 5.677 1.00 0.00 C ATOM 379 O LYS A 25 6.665 -1.119 5.374 1.00 0.00 O ATOM 380 CB LYS A 25 9.338 0.861 4.491 1.00 0.00 C ATOM 381 CG LYS A 25 10.013 -0.486 4.758 1.00 0.00 C ATOM 382 CD LYS A 25 11.488 -0.377 4.356 1.00 0.00 C ATOM 383 CE LYS A 25 12.136 -1.761 4.311 1.00 0.00 C ATOM 384 NZ LYS A 25 13.558 -1.664 3.938 1.00 0.00 N ATOM 0 H LYS A 25 8.144 2.907 4.957 1.00 0.00 H new ATOM 0 HA LYS A 25 7.415 0.508 3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.604 1.189 3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.746 1.596 5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.926 -0.751 5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.522 -1.275 4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.570 0.101 3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.019 0.256 5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.043 -2.242 5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.610 -2.390 3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.884 -2.581 3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.676 -0.936 3.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.120 -1.407 4.775 1.00 0.00 H new ATOM 398 N GLU A 26 7.415 0.324 6.932 1.00 0.00 N ATOM 399 CA GLU A 26 6.880 -0.388 8.082 1.00 0.00 C ATOM 400 C GLU A 26 5.355 -0.512 7.939 1.00 0.00 C ATOM 401 O GLU A 26 4.798 -1.599 8.059 1.00 0.00 O ATOM 402 CB GLU A 26 7.279 0.358 9.364 1.00 0.00 C ATOM 403 CG GLU A 26 6.774 -0.341 10.632 1.00 0.00 C ATOM 404 CD GLU A 26 7.264 0.378 11.885 1.00 0.00 C ATOM 405 OE1 GLU A 26 6.550 1.302 12.330 1.00 0.00 O ATOM 406 OE2 GLU A 26 8.354 -0.003 12.365 1.00 0.00 O ATOM 0 H GLU A 26 7.933 1.167 7.180 1.00 0.00 H new ATOM 0 HA GLU A 26 7.291 -1.396 8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.365 0.443 9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.881 1.372 9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.684 -0.368 10.627 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.119 -1.375 10.643 1.00 0.00 H new ATOM 413 N GLU A 27 4.674 0.605 7.682 1.00 0.00 N ATOM 414 CA GLU A 27 3.225 0.654 7.547 1.00 0.00 C ATOM 415 C GLU A 27 2.693 -0.310 6.484 1.00 0.00 C ATOM 416 O GLU A 27 1.701 -1.009 6.705 1.00 0.00 O ATOM 417 CB GLU A 27 2.807 2.095 7.229 1.00 0.00 C ATOM 418 CG GLU A 27 1.352 2.386 7.572 1.00 0.00 C ATOM 419 CD GLU A 27 1.147 2.461 9.075 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.368 3.565 9.620 1.00 0.00 O ATOM 421 OE2 GLU A 27 0.772 1.416 9.645 1.00 0.00 O ATOM 0 H GLU A 27 5.124 1.512 7.561 1.00 0.00 H new ATOM 0 HA GLU A 27 2.787 0.332 8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.448 2.783 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.969 2.288 6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.049 3.327 7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.714 1.607 7.154 1.00 0.00 H new ATOM 428 N LEU A 28 3.340 -0.348 5.315 1.00 0.00 N ATOM 429 CA LEU A 28 2.926 -1.223 4.235 1.00 0.00 C ATOM 430 C LEU A 28 2.834 -2.664 4.734 1.00 0.00 C ATOM 431 O LEU A 28 1.893 -3.374 4.393 1.00 0.00 O ATOM 432 CB LEU A 28 3.939 -1.117 3.090 1.00 0.00 C ATOM 433 CG LEU A 28 3.542 -1.950 1.859 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.311 -1.372 1.150 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.720 -2.017 0.886 1.00 0.00 C ATOM 0 H LEU A 28 4.157 0.224 5.100 1.00 0.00 H new ATOM 0 HA LEU A 28 1.942 -0.922 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.041 -0.072 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.916 -1.445 3.445 1.00 0.00 H new ATOM 0 HG LEU A 28 3.283 -2.952 2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.065 -1.990 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.467 -1.359 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.525 -0.356 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.438 -2.607 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.989 -1.009 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.573 -2.483 1.379 1.00 0.00 H new ATOM 447 N LYS A 29 3.804 -3.093 5.543 1.00 0.00 N ATOM 448 CA LYS A 29 3.837 -4.453 6.058 1.00 0.00 C ATOM 449 C LYS A 29 2.496 -4.817 6.695 1.00 0.00 C ATOM 450 O LYS A 29 1.785 -5.688 6.201 1.00 0.00 O ATOM 451 CB LYS A 29 4.996 -4.622 7.052 1.00 0.00 C ATOM 452 CG LYS A 29 5.135 -6.071 7.526 1.00 0.00 C ATOM 453 CD LYS A 29 5.877 -6.894 6.473 1.00 0.00 C ATOM 454 CE LYS A 29 5.802 -8.394 6.761 1.00 0.00 C ATOM 455 NZ LYS A 29 6.693 -9.159 5.870 1.00 0.00 N ATOM 0 H LYS A 29 4.580 -2.509 5.855 1.00 0.00 H new ATOM 0 HA LYS A 29 4.007 -5.139 5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.926 -4.303 6.582 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.834 -3.973 7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.675 -6.103 8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.149 -6.500 7.707 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.452 -6.692 5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.921 -6.583 6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.076 -8.581 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.776 -8.739 6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.618 -10.172 6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.415 -8.999 4.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.675 -8.846 6.009 1.00 0.00 H new ATOM 469 N LEU A 30 2.160 -4.152 7.801 1.00 0.00 N ATOM 470 CA LEU A 30 0.908 -4.373 8.511 1.00 0.00 C ATOM 471 C LEU A 30 -0.288 -4.319 7.557 1.00 0.00 C ATOM 472 O LEU A 30 -1.162 -5.183 7.618 1.00 0.00 O ATOM 473 CB LEU A 30 0.704 -3.432 9.713 1.00 0.00 C ATOM 474 CG LEU A 30 1.697 -2.289 9.964 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.065 -1.310 10.960 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.008 -2.783 10.584 1.00 0.00 C ATOM 0 H LEU A 30 2.755 -3.442 8.228 1.00 0.00 H new ATOM 0 HA LEU A 30 0.976 -5.378 8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.286 -2.987 9.613 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.686 -4.050 10.611 1.00 0.00 H new ATOM 0 HG LEU A 30 1.917 -1.826 9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.756 -0.489 11.152 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.139 -0.914 10.543 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.850 -1.829 11.894 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.677 -1.937 10.742 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.800 -3.265 11.539 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.481 -3.499 9.912 1.00 0.00 H new ATOM 488 N LEU A 31 -0.328 -3.316 6.678 1.00 0.00 N ATOM 489 CA LEU A 31 -1.403 -3.157 5.708 1.00 0.00 C ATOM 490 C LEU A 31 -1.607 -4.455 4.931 1.00 0.00 C ATOM 491 O LEU A 31 -2.655 -5.098 5.018 1.00 0.00 O ATOM 492 CB LEU A 31 -1.057 -2.007 4.749 1.00 0.00 C ATOM 493 CG LEU A 31 -2.221 -1.438 3.921 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.673 -0.826 2.643 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.342 -2.407 3.548 1.00 0.00 C ATOM 0 H LEU A 31 0.388 -2.592 6.622 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.330 -2.921 6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.622 -1.195 5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.286 -2.355 4.062 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.687 -0.709 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.495 -0.421 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.976 -0.026 2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.154 -1.592 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.099 -1.881 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.933 -3.226 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.795 -2.806 4.456 1.00 0.00 H new ATOM 507 N LEU A 32 -0.588 -4.836 4.164 1.00 0.00 N ATOM 508 CA LEU A 32 -0.656 -6.012 3.317 1.00 0.00 C ATOM 509 C LEU A 32 -0.941 -7.253 4.148 1.00 0.00 C ATOM 510 O LEU A 32 -1.731 -8.096 3.741 1.00 0.00 O ATOM 511 CB LEU A 32 0.621 -6.195 2.497 1.00 0.00 C ATOM 512 CG LEU A 32 0.993 -4.988 1.629 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.283 -5.287 0.861 1.00 0.00 C ATOM 514 CD2 LEU A 32 -0.100 -4.612 0.626 1.00 0.00 C ATOM 0 H LEU A 32 0.301 -4.338 4.116 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.477 -5.864 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.447 -6.408 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.504 -7.067 1.854 1.00 0.00 H new ATOM 0 HG LEU A 32 1.124 -4.144 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.547 -4.428 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.089 -5.487 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.134 -6.159 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.223 -3.751 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.287 -5.454 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.016 -4.364 1.162 1.00 0.00 H new ATOM 526 N GLN A 33 -0.313 -7.373 5.315 1.00 0.00 N ATOM 527 CA GLN A 33 -0.516 -8.500 6.188 1.00 0.00 C ATOM 528 C GLN A 33 -1.987 -8.615 6.595 1.00 0.00 C ATOM 529 O GLN A 33 -2.518 -9.719 6.645 1.00 0.00 O ATOM 530 CB GLN A 33 0.388 -8.318 7.404 1.00 0.00 C ATOM 531 CG GLN A 33 1.814 -8.822 7.148 1.00 0.00 C ATOM 532 CD GLN A 33 2.652 -8.885 8.423 1.00 0.00 C ATOM 533 OE1 GLN A 33 3.443 -9.797 8.613 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.514 -7.926 9.326 1.00 0.00 N ATOM 0 H GLN A 33 0.350 -6.685 5.672 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.260 -9.428 5.676 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.421 -7.263 7.675 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.037 -8.852 8.254 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.770 -9.814 6.697 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.303 -8.166 6.428 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.853 -7.166 9.166 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.068 -7.948 10.182 1.00 0.00 H new ATOM 543 N THR A 34 -2.647 -7.491 6.886 1.00 0.00 N ATOM 544 CA THR A 34 -4.046 -7.520 7.285 1.00 0.00 C ATOM 545 C THR A 34 -4.965 -7.806 6.092 1.00 0.00 C ATOM 546 O THR A 34 -5.873 -8.624 6.190 1.00 0.00 O ATOM 547 CB THR A 34 -4.473 -6.191 7.938 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.536 -5.725 8.895 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.823 -6.369 8.647 1.00 0.00 C ATOM 0 H THR A 34 -2.234 -6.559 6.852 1.00 0.00 H new ATOM 0 HA THR A 34 -4.144 -8.325 8.013 1.00 0.00 H new ATOM 0 HB THR A 34 -4.539 -5.458 7.134 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.717 -5.440 8.439 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.120 -5.426 9.107 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.578 -6.672 7.921 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.731 -7.135 9.417 1.00 0.00 H new ATOM 557 N GLU A 35 -4.754 -7.098 4.981 1.00 0.00 N ATOM 558 CA GLU A 35 -5.647 -7.150 3.831 1.00 0.00 C ATOM 559 C GLU A 35 -5.397 -8.289 2.848 1.00 0.00 C ATOM 560 O GLU A 35 -6.356 -8.888 2.365 1.00 0.00 O ATOM 561 CB GLU A 35 -5.615 -5.800 3.106 1.00 0.00 C ATOM 562 CG GLU A 35 -5.925 -4.625 4.046 1.00 0.00 C ATOM 563 CD GLU A 35 -7.268 -4.757 4.756 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.265 -5.013 4.045 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.274 -4.587 5.994 1.00 0.00 O ATOM 0 H GLU A 35 -3.957 -6.473 4.857 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.636 -7.360 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.632 -5.654 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.339 -5.811 2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.134 -4.547 4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.915 -3.698 3.473 1.00 0.00 H new ATOM 572 N PHE A 36 -4.143 -8.593 2.513 1.00 0.00 N ATOM 573 CA PHE A 36 -3.862 -9.616 1.521 1.00 0.00 C ATOM 574 C PHE A 36 -2.437 -10.138 1.753 1.00 0.00 C ATOM 575 O PHE A 36 -1.514 -9.761 1.026 1.00 0.00 O ATOM 576 CB PHE A 36 -4.062 -9.064 0.091 1.00 0.00 C ATOM 577 CG PHE A 36 -4.321 -7.571 -0.050 1.00 0.00 C ATOM 578 CD1 PHE A 36 -3.220 -6.696 -0.073 1.00 0.00 C ATOM 579 CD2 PHE A 36 -5.612 -7.071 -0.317 1.00 0.00 C ATOM 580 CE1 PHE A 36 -3.393 -5.356 -0.451 1.00 0.00 C ATOM 581 CE2 PHE A 36 -5.790 -5.712 -0.636 1.00 0.00 C ATOM 582 CZ PHE A 36 -4.678 -4.859 -0.723 1.00 0.00 C ATOM 0 H PHE A 36 -3.317 -8.147 2.913 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.559 -10.447 1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.175 -9.309 -0.493 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.899 -9.596 -0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.239 -7.056 0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.465 -7.732 -0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.535 -4.705 -0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.782 -5.325 -0.814 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.811 -3.823 -0.998 1.00 0.00 H new ATOM 592 N PRO A 37 -2.231 -11.019 2.751 1.00 0.00 N ATOM 593 CA PRO A 37 -0.928 -11.602 3.050 1.00 0.00 C ATOM 594 C PRO A 37 -0.327 -12.392 1.874 1.00 0.00 C ATOM 595 O PRO A 37 0.831 -12.796 1.926 1.00 0.00 O ATOM 596 CB PRO A 37 -1.132 -12.471 4.296 1.00 0.00 C ATOM 597 CG PRO A 37 -2.627 -12.785 4.279 1.00 0.00 C ATOM 598 CD PRO A 37 -3.229 -11.513 3.687 1.00 0.00 C ATOM 0 HA PRO A 37 -0.194 -10.817 3.230 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.532 -13.380 4.253 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.844 -11.942 5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.850 -13.661 3.669 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.010 -12.987 5.279 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.173 -11.722 3.183 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.438 -10.778 4.464 1.00 0.00 H new ATOM 702 N THR A 45 10.620 -9.952 -1.317 1.00 0.00 N ATOM 703 CA THR A 45 10.960 -9.296 -0.062 1.00 0.00 C ATOM 704 C THR A 45 10.274 -7.936 0.059 1.00 0.00 C ATOM 705 O THR A 45 9.976 -7.274 -0.937 1.00 0.00 O ATOM 706 CB THR A 45 12.481 -9.207 0.155 1.00 0.00 C ATOM 707 OG1 THR A 45 13.183 -10.120 -0.662 1.00 0.00 O ATOM 708 CG2 THR A 45 12.872 -9.483 1.610 1.00 0.00 C ATOM 0 HA THR A 45 10.576 -9.921 0.744 1.00 0.00 H new ATOM 0 HB THR A 45 12.753 -8.186 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.386 -9.699 -1.523 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.954 -9.409 1.716 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.393 -8.751 2.261 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.547 -10.485 1.890 1.00 0.00 H new ATOM 716 N LEU A 46 10.038 -7.532 1.310 1.00 0.00 N ATOM 717 CA LEU A 46 9.387 -6.279 1.665 1.00 0.00 C ATOM 718 C LEU A 46 10.084 -5.127 0.960 1.00 0.00 C ATOM 719 O LEU A 46 9.434 -4.314 0.327 1.00 0.00 O ATOM 720 CB LEU A 46 9.425 -6.081 3.191 1.00 0.00 C ATOM 721 CG LEU A 46 8.862 -4.721 3.653 1.00 0.00 C ATOM 722 CD1 LEU A 46 7.357 -4.604 3.381 1.00 0.00 C ATOM 723 CD2 LEU A 46 9.137 -4.534 5.148 1.00 0.00 C ATOM 0 H LEU A 46 10.304 -8.087 2.123 1.00 0.00 H new ATOM 0 HA LEU A 46 8.345 -6.308 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.857 -6.880 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.455 -6.174 3.535 1.00 0.00 H new ATOM 0 HG LEU A 46 9.362 -3.939 3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.000 -3.632 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.172 -4.705 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.828 -5.392 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.739 -3.573 5.474 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.656 -5.335 5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.212 -4.561 5.326 1.00 0.00 H new ATOM 735 N ASP A 47 11.409 -5.069 1.084 1.00 0.00 N ATOM 736 CA ASP A 47 12.283 -4.058 0.529 1.00 0.00 C ATOM 737 C ASP A 47 11.981 -3.889 -0.952 1.00 0.00 C ATOM 738 O ASP A 47 11.654 -2.799 -1.387 1.00 0.00 O ATOM 739 CB ASP A 47 13.750 -4.458 0.751 1.00 0.00 C ATOM 740 CG ASP A 47 14.048 -4.834 2.200 1.00 0.00 C ATOM 741 OD1 ASP A 47 13.564 -5.916 2.603 1.00 0.00 O ATOM 742 OD2 ASP A 47 14.731 -4.037 2.878 1.00 0.00 O ATOM 0 H ASP A 47 11.925 -5.775 1.609 1.00 0.00 H new ATOM 0 HA ASP A 47 12.112 -3.105 1.030 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.994 -5.301 0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.396 -3.632 0.455 1.00 0.00 H new ATOM 747 N GLU A 48 12.073 -4.975 -1.715 1.00 0.00 N ATOM 748 CA GLU A 48 11.819 -4.982 -3.146 1.00 0.00 C ATOM 749 C GLU A 48 10.429 -4.419 -3.454 1.00 0.00 C ATOM 750 O GLU A 48 10.280 -3.489 -4.244 1.00 0.00 O ATOM 751 CB GLU A 48 11.949 -6.421 -3.659 1.00 0.00 C ATOM 752 CG GLU A 48 13.383 -6.947 -3.529 1.00 0.00 C ATOM 753 CD GLU A 48 13.479 -8.375 -4.050 1.00 0.00 C ATOM 754 OE1 GLU A 48 13.254 -9.287 -3.226 1.00 0.00 O ATOM 755 OE2 GLU A 48 13.766 -8.528 -5.257 1.00 0.00 O ATOM 0 H GLU A 48 12.331 -5.890 -1.345 1.00 0.00 H new ATOM 0 HA GLU A 48 12.547 -4.346 -3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.273 -7.068 -3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.640 -6.463 -4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.064 -6.304 -4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.695 -6.913 -2.485 1.00 0.00 H new ATOM 762 N LEU A 49 9.406 -4.993 -2.824 1.00 0.00 N ATOM 763 CA LEU A 49 8.027 -4.590 -3.042 1.00 0.00 C ATOM 764 C LEU A 49 7.817 -3.111 -2.708 1.00 0.00 C ATOM 765 O LEU A 49 7.409 -2.319 -3.554 1.00 0.00 O ATOM 766 CB LEU A 49 7.119 -5.530 -2.241 1.00 0.00 C ATOM 767 CG LEU A 49 5.654 -5.090 -2.219 1.00 0.00 C ATOM 768 CD1 LEU A 49 5.073 -4.896 -3.626 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.833 -6.153 -1.488 1.00 0.00 C ATOM 0 H LEU A 49 9.514 -5.750 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 49 7.767 -4.680 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.183 -6.532 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.487 -5.593 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 49 5.607 -4.128 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.031 -4.584 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.643 -4.131 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.131 -5.835 -4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.786 -5.852 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.925 -7.106 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.202 -6.260 -0.468 1.00 0.00 H new ATOM 781 N PHE A 50 8.110 -2.731 -1.470 1.00 0.00 N ATOM 782 CA PHE A 50 8.008 -1.377 -0.984 1.00 0.00 C ATOM 783 C PHE A 50 8.842 -0.467 -1.879 1.00 0.00 C ATOM 784 O PHE A 50 8.429 0.654 -2.116 1.00 0.00 O ATOM 785 CB PHE A 50 8.509 -1.339 0.463 1.00 0.00 C ATOM 786 CG PHE A 50 8.909 0.040 0.909 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.934 0.991 1.245 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.243 0.432 0.714 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.322 2.316 1.503 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.622 1.768 0.921 1.00 0.00 C ATOM 791 CZ PHE A 50 9.664 2.702 1.351 1.00 0.00 C ATOM 0 H PHE A 50 8.436 -3.386 -0.759 1.00 0.00 H new ATOM 0 HA PHE A 50 6.975 -1.030 -1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.727 -1.716 1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.362 -2.010 0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.894 0.707 1.305 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.979 -0.295 0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.586 3.040 1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.643 2.076 0.751 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.960 3.718 1.565 1.00 0.00 H new ATOM 801 N GLU A 51 9.996 -0.912 -2.380 1.00 0.00 N ATOM 802 CA GLU A 51 10.793 -0.063 -3.265 1.00 0.00 C ATOM 803 C GLU A 51 10.074 0.162 -4.592 1.00 0.00 C ATOM 804 O GLU A 51 10.039 1.290 -5.073 1.00 0.00 O ATOM 805 CB GLU A 51 12.202 -0.629 -3.481 1.00 0.00 C ATOM 806 CG GLU A 51 13.110 -0.328 -2.280 1.00 0.00 C ATOM 807 CD GLU A 51 14.355 -1.208 -2.276 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.914 -1.417 -3.374 1.00 0.00 O ATOM 809 OE2 GLU A 51 14.729 -1.657 -1.171 1.00 0.00 O ATOM 0 H GLU A 51 10.392 -1.833 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 51 10.910 0.904 -2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.144 -1.706 -3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.635 -0.200 -4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.406 0.721 -2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.553 -0.482 -1.356 1.00 0.00 H new ATOM 816 N GLU A 52 9.486 -0.884 -5.184 1.00 0.00 N ATOM 817 CA GLU A 52 8.736 -0.733 -6.427 1.00 0.00 C ATOM 818 C GLU A 52 7.634 0.298 -6.186 1.00 0.00 C ATOM 819 O GLU A 52 7.403 1.205 -6.981 1.00 0.00 O ATOM 820 CB GLU A 52 8.149 -2.098 -6.831 1.00 0.00 C ATOM 821 CG GLU A 52 6.950 -2.014 -7.794 1.00 0.00 C ATOM 822 CD GLU A 52 7.263 -1.315 -9.115 1.00 0.00 C ATOM 823 OE1 GLU A 52 8.435 -1.385 -9.544 1.00 0.00 O ATOM 824 OE2 GLU A 52 6.313 -0.732 -9.681 1.00 0.00 O ATOM 0 H GLU A 52 9.517 -1.837 -4.822 1.00 0.00 H new ATOM 0 HA GLU A 52 9.376 -0.390 -7.240 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.934 -2.694 -7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.840 -2.628 -5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.594 -3.023 -8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.136 -1.485 -7.299 1.00 0.00 H new ATOM 831 N LEU A 53 6.955 0.116 -5.058 1.00 0.00 N ATOM 832 CA LEU A 53 5.865 0.948 -4.604 1.00 0.00 C ATOM 833 C LEU A 53 6.309 2.389 -4.329 1.00 0.00 C ATOM 834 O LEU A 53 5.639 3.324 -4.757 1.00 0.00 O ATOM 835 CB LEU A 53 5.277 0.280 -3.357 1.00 0.00 C ATOM 836 CG LEU A 53 4.248 -0.793 -3.732 1.00 0.00 C ATOM 837 CD1 LEU A 53 4.048 -1.689 -2.514 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.902 -0.189 -4.152 1.00 0.00 C ATOM 0 H LEU A 53 7.164 -0.648 -4.415 1.00 0.00 H new ATOM 0 HA LEU A 53 5.107 1.030 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.078 -0.171 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.806 1.034 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 53 4.623 -1.355 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.319 -2.465 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.997 -2.152 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.685 -1.091 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.208 -0.990 -4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.493 0.397 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.047 0.456 -5.019 1.00 0.00 H new ATOM 850 N ASP A 54 7.426 2.605 -3.634 1.00 0.00 N ATOM 851 CA ASP A 54 7.939 3.926 -3.299 1.00 0.00 C ATOM 852 C ASP A 54 8.696 4.422 -4.524 1.00 0.00 C ATOM 853 O ASP A 54 9.895 4.687 -4.470 1.00 0.00 O ATOM 854 CB ASP A 54 8.824 3.867 -2.037 1.00 0.00 C ATOM 855 CG ASP A 54 9.334 5.247 -1.600 1.00 0.00 C ATOM 856 OD1 ASP A 54 8.938 6.252 -2.228 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.142 5.294 -0.643 1.00 0.00 O ATOM 0 H ASP A 54 8.010 1.846 -3.282 1.00 0.00 H new ATOM 0 HA ASP A 54 7.134 4.620 -3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.255 3.420 -1.221 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.676 3.214 -2.227 1.00 0.00 H new ATOM 862 N LYS A 55 7.979 4.552 -5.640 1.00 0.00 N ATOM 863 CA LYS A 55 8.526 4.967 -6.916 1.00 0.00 C ATOM 864 C LYS A 55 9.148 6.358 -6.798 1.00 0.00 C ATOM 865 O LYS A 55 10.113 6.681 -7.484 1.00 0.00 O ATOM 866 CB LYS A 55 7.390 4.884 -7.936 1.00 0.00 C ATOM 867 CG LYS A 55 7.905 4.816 -9.372 1.00 0.00 C ATOM 868 CD LYS A 55 6.743 4.506 -10.324 1.00 0.00 C ATOM 869 CE LYS A 55 6.075 3.137 -10.106 1.00 0.00 C ATOM 870 NZ LYS A 55 7.054 2.050 -9.917 1.00 0.00 N ATOM 0 H LYS A 55 6.977 4.365 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 55 9.338 4.319 -7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.782 4.004 -7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.741 5.753 -7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.370 5.763 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.673 4.047 -9.457 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.987 5.284 -10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.109 4.556 -11.349 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.424 3.190 -9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.442 2.906 -10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.594 1.134 -10.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.845 2.175 -10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.414 2.073 -8.942 1.00 0.00 H new ATOM 884 N ASN A 56 8.591 7.178 -5.905 1.00 0.00 N ATOM 885 CA ASN A 56 9.071 8.518 -5.618 1.00 0.00 C ATOM 886 C ASN A 56 10.393 8.473 -4.839 1.00 0.00 C ATOM 887 O ASN A 56 11.166 9.422 -4.904 1.00 0.00 O ATOM 888 CB ASN A 56 7.993 9.256 -4.821 1.00 0.00 C ATOM 889 CG ASN A 56 8.355 10.719 -4.587 1.00 0.00 C ATOM 890 OD1 ASN A 56 8.722 11.441 -5.502 1.00 0.00 O ATOM 891 ND2 ASN A 56 8.242 11.195 -3.358 1.00 0.00 N ATOM 0 H ASN A 56 7.775 6.916 -5.352 1.00 0.00 H new ATOM 0 HA ASN A 56 9.266 9.046 -6.551 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.044 9.198 -5.355 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.849 8.760 -3.861 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.462 12.173 -3.167 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.935 10.584 -2.601 1.00 0.00 H new ATOM 898 N GLY A 57 10.665 7.386 -4.106 1.00 0.00 N ATOM 899 CA GLY A 57 11.884 7.213 -3.333 1.00 0.00 C ATOM 900 C GLY A 57 11.969 8.266 -2.236 1.00 0.00 C ATOM 901 O GLY A 57 12.840 9.130 -2.285 1.00 0.00 O ATOM 0 H GLY A 57 10.028 6.593 -4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.905 6.216 -2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.752 7.290 -3.988 1.00 0.00 H new ATOM 905 N ASP A 58 11.069 8.203 -1.246 1.00 0.00 N ATOM 906 CA ASP A 58 11.033 9.196 -0.170 1.00 0.00 C ATOM 907 C ASP A 58 11.029 8.573 1.222 1.00 0.00 C ATOM 908 O ASP A 58 11.051 9.303 2.208 1.00 0.00 O ATOM 909 CB ASP A 58 9.845 10.149 -0.359 1.00 0.00 C ATOM 910 CG ASP A 58 8.485 9.467 -0.221 1.00 0.00 C ATOM 911 OD1 ASP A 58 8.199 8.976 0.893 1.00 0.00 O ATOM 912 OD2 ASP A 58 7.747 9.475 -1.229 1.00 0.00 O ATOM 0 H ASP A 58 10.358 7.475 -1.170 1.00 0.00 H new ATOM 0 HA ASP A 58 11.958 9.769 -0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.915 10.953 0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.913 10.609 -1.345 1.00 0.00 H new ATOM 917 N GLY A 59 10.989 7.245 1.316 1.00 0.00 N ATOM 918 CA GLY A 59 10.961 6.560 2.598 1.00 0.00 C ATOM 919 C GLY A 59 9.578 5.973 2.844 1.00 0.00 C ATOM 920 O GLY A 59 9.452 5.025 3.619 1.00 0.00 O ATOM 0 H GLY A 59 10.975 6.621 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.709 5.768 2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.217 7.256 3.397 1.00 0.00 H new ATOM 924 N GLU A 60 8.537 6.507 2.193 1.00 0.00 N ATOM 925 CA GLU A 60 7.200 5.987 2.300 1.00 0.00 C ATOM 926 C GLU A 60 6.575 5.887 0.905 1.00 0.00 C ATOM 927 O GLU A 60 7.071 6.458 -0.058 1.00 0.00 O ATOM 928 CB GLU A 60 6.381 6.935 3.171 1.00 0.00 C ATOM 929 CG GLU A 60 7.102 7.438 4.428 1.00 0.00 C ATOM 930 CD GLU A 60 6.157 8.239 5.315 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.052 9.465 5.081 1.00 0.00 O ATOM 932 OE2 GLU A 60 5.535 7.606 6.194 1.00 0.00 O ATOM 0 H GLU A 60 8.616 7.317 1.578 1.00 0.00 H new ATOM 0 HA GLU A 60 7.217 4.994 2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.086 7.795 2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.465 6.428 3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.501 6.591 4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.951 8.059 4.141 1.00 0.00 H new ATOM 939 N VAL A 61 5.462 5.172 0.833 1.00 0.00 N ATOM 940 CA VAL A 61 4.606 4.975 -0.326 1.00 0.00 C ATOM 941 C VAL A 61 3.466 5.976 -0.113 1.00 0.00 C ATOM 942 O VAL A 61 3.368 6.566 0.958 1.00 0.00 O ATOM 943 CB VAL A 61 4.092 3.514 -0.357 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.220 3.198 -1.581 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.264 2.531 -0.343 1.00 0.00 C ATOM 0 H VAL A 61 5.106 4.675 1.650 1.00 0.00 H new ATOM 0 HA VAL A 61 5.112 5.135 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 61 3.476 3.404 0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.895 2.158 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.347 3.851 -1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.798 3.360 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.883 1.510 -0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.893 2.702 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.852 2.679 0.563 1.00 0.00 H new ATOM 955 N SER A 62 2.575 6.181 -1.076 1.00 0.00 N ATOM 956 CA SER A 62 1.418 7.053 -0.928 1.00 0.00 C ATOM 957 C SER A 62 0.340 6.502 -1.847 1.00 0.00 C ATOM 958 O SER A 62 0.663 5.712 -2.737 1.00 0.00 O ATOM 959 CB SER A 62 1.750 8.514 -1.242 1.00 0.00 C ATOM 960 OG SER A 62 2.115 8.644 -2.597 1.00 0.00 O ATOM 0 H SER A 62 2.638 5.740 -1.994 1.00 0.00 H new ATOM 0 HA SER A 62 1.075 7.061 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.888 9.146 -1.027 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.564 8.856 -0.603 1.00 0.00 H new ATOM 0 HG SER A 62 2.324 9.582 -2.791 1.00 0.00 H new ATOM 966 N PHE A 63 -0.920 6.899 -1.643 1.00 0.00 N ATOM 967 CA PHE A 63 -2.029 6.430 -2.468 1.00 0.00 C ATOM 968 C PHE A 63 -1.667 6.517 -3.952 1.00 0.00 C ATOM 969 O PHE A 63 -1.933 5.590 -4.710 1.00 0.00 O ATOM 970 CB PHE A 63 -3.332 7.136 -2.107 1.00 0.00 C ATOM 971 CG PHE A 63 -4.517 6.699 -2.948 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.246 5.558 -2.569 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.782 7.311 -4.188 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.359 5.148 -3.327 1.00 0.00 C ATOM 975 CE2 PHE A 63 -5.809 6.813 -5.011 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.667 5.808 -4.528 1.00 0.00 C ATOM 0 H PHE A 63 -1.195 7.549 -0.907 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.207 5.376 -2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.556 6.951 -1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.195 8.212 -2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.952 4.995 -1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.198 8.162 -4.507 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.974 4.328 -2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.938 7.201 -6.011 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.558 5.545 -5.078 1.00 0.00 H new ATOM 986 N GLU A 64 -1.030 7.626 -4.337 1.00 0.00 N ATOM 987 CA GLU A 64 -0.552 7.916 -5.680 1.00 0.00 C ATOM 988 C GLU A 64 0.088 6.687 -6.337 1.00 0.00 C ATOM 989 O GLU A 64 -0.339 6.223 -7.390 1.00 0.00 O ATOM 990 CB GLU A 64 0.489 9.051 -5.578 1.00 0.00 C ATOM 991 CG GLU A 64 0.810 9.667 -6.946 1.00 0.00 C ATOM 992 CD GLU A 64 -0.396 10.377 -7.553 1.00 0.00 C ATOM 993 OE1 GLU A 64 -0.837 11.370 -6.935 1.00 0.00 O ATOM 994 OE2 GLU A 64 -0.862 9.907 -8.614 1.00 0.00 O ATOM 0 H GLU A 64 -0.826 8.381 -3.682 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.398 8.210 -6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.114 9.827 -4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.405 8.663 -5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.632 10.375 -6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.149 8.885 -7.625 1.00 0.00 H new ATOM 1001 N GLU A 65 1.133 6.171 -5.694 1.00 0.00 N ATOM 1002 CA GLU A 65 1.926 5.048 -6.177 1.00 0.00 C ATOM 1003 C GLU A 65 1.191 3.750 -5.878 1.00 0.00 C ATOM 1004 O GLU A 65 1.240 2.795 -6.649 1.00 0.00 O ATOM 1005 CB GLU A 65 3.331 5.032 -5.544 1.00 0.00 C ATOM 1006 CG GLU A 65 3.654 6.284 -4.723 1.00 0.00 C ATOM 1007 CD GLU A 65 5.132 6.477 -4.412 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.931 6.479 -5.371 1.00 0.00 O ATOM 1009 OE2 GLU A 65 5.430 6.670 -3.216 1.00 0.00 O ATOM 0 H GLU A 65 1.459 6.534 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 65 2.059 5.155 -7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.420 4.155 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.074 4.926 -6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.293 7.159 -5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.102 6.239 -3.784 1.00 0.00 H new ATOM 1016 N PHE A 66 0.497 3.730 -4.740 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.284 2.582 -4.294 1.00 0.00 C ATOM 1018 C PHE A 66 -1.256 2.099 -5.375 1.00 0.00 C ATOM 1019 O PHE A 66 -1.651 0.937 -5.361 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.020 2.929 -3.003 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.757 1.780 -2.362 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.071 0.878 -1.531 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.133 1.609 -2.606 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -1.760 -0.192 -0.939 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -3.804 0.502 -2.062 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.124 -0.388 -1.212 1.00 0.00 C ATOM 0 H PHE A 66 0.463 4.521 -4.096 1.00 0.00 H new ATOM 0 HA PHE A 66 0.402 1.757 -4.099 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.300 3.324 -2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.733 3.727 -3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.015 1.008 -1.348 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.670 2.326 -3.209 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.241 -0.865 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.845 0.334 -2.297 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.650 -1.221 -0.770 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.638 2.953 -6.334 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.498 2.519 -7.428 1.00 0.00 C ATOM 1038 C GLN A 67 -1.897 1.323 -8.177 1.00 0.00 C ATOM 1039 O GLN A 67 -2.630 0.519 -8.750 1.00 0.00 O ATOM 1040 CB GLN A 67 -2.983 3.684 -8.307 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.563 4.826 -7.474 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.606 4.292 -6.510 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.738 4.013 -6.880 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.234 4.131 -5.254 1.00 0.00 N ATOM 0 H GLN A 67 -1.366 3.935 -6.370 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.424 2.136 -6.998 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.152 4.057 -8.905 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.740 3.322 -9.003 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.766 5.324 -6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.011 5.573 -8.129 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.284 4.371 -4.969 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.896 3.767 -4.569 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.571 1.157 -8.137 1.00 0.00 N ATOM 1054 CA VAL A 68 0.073 -0.022 -8.696 1.00 0.00 C ATOM 1055 C VAL A 68 -0.512 -1.246 -7.973 1.00 0.00 C ATOM 1056 O VAL A 68 -0.878 -2.229 -8.611 1.00 0.00 O ATOM 1057 CB VAL A 68 1.601 0.085 -8.532 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.305 -1.219 -8.930 1.00 0.00 C ATOM 1059 CG2 VAL A 68 2.157 1.222 -9.401 1.00 0.00 C ATOM 0 H VAL A 68 0.073 1.830 -7.721 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.115 -0.115 -9.766 1.00 0.00 H new ATOM 0 HB VAL A 68 1.794 0.287 -7.478 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.381 -1.105 -8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.948 -2.033 -8.299 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.087 -1.447 -9.973 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.238 1.283 -9.273 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.927 1.026 -10.448 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.702 2.166 -9.100 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.640 -1.189 -6.644 1.00 0.00 N ATOM 1070 CA LEU A 69 -1.204 -2.265 -5.844 1.00 0.00 C ATOM 1071 C LEU A 69 -2.680 -2.415 -6.233 1.00 0.00 C ATOM 1072 O LEU A 69 -3.152 -3.526 -6.467 1.00 0.00 O ATOM 1073 CB LEU A 69 -1.006 -1.948 -4.351 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.882 -3.172 -3.425 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -2.022 -4.178 -3.595 1.00 0.00 C ATOM 1076 CD2 LEU A 69 0.459 -3.892 -3.605 1.00 0.00 C ATOM 0 H LEU A 69 -0.349 -0.382 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.704 -3.215 -6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.108 -1.340 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.845 -1.341 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.942 -2.767 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.873 -5.015 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.972 -3.693 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.034 -4.544 -4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.505 -4.749 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.553 -4.234 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.274 -3.206 -3.374 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.407 -1.290 -6.333 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.808 -1.294 -6.767 1.00 0.00 C ATOM 1090 C VAL A 70 -4.942 -2.040 -8.102 1.00 0.00 C ATOM 1091 O VAL A 70 -5.958 -2.679 -8.352 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.413 0.121 -6.819 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.884 0.095 -7.258 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.329 0.784 -5.439 1.00 0.00 C ATOM 0 H VAL A 70 -3.042 -0.362 -6.117 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.393 -1.830 -6.019 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.837 0.689 -7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.275 1.112 -7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.959 -0.346 -8.252 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.464 -0.500 -6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.760 1.784 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.882 0.186 -4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.286 0.854 -5.132 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.925 -1.989 -8.966 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.942 -2.771 -10.189 1.00 0.00 C ATOM 1106 C LYS A 71 -3.624 -4.236 -9.847 1.00 0.00 C ATOM 1107 O LYS A 71 -4.370 -5.137 -10.233 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.961 -2.192 -11.220 1.00 0.00 C ATOM 1109 CG LYS A 71 -3.066 -2.932 -12.561 1.00 0.00 C ATOM 1110 CD LYS A 71 -2.079 -2.342 -13.577 1.00 0.00 C ATOM 1111 CE LYS A 71 -2.051 -3.160 -14.875 1.00 0.00 C ATOM 1112 NZ LYS A 71 -3.357 -3.155 -15.559 1.00 0.00 N ATOM 0 H LYS A 71 -3.090 -1.418 -8.837 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.932 -2.728 -10.644 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.169 -1.132 -11.369 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.942 -2.267 -10.839 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.858 -3.992 -12.416 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.083 -2.857 -12.946 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.358 -1.312 -13.801 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.080 -2.314 -13.142 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.291 -2.755 -15.543 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.763 -4.187 -14.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.273 -3.647 -16.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.061 -3.641 -14.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.660 -2.173 -15.721 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.520 -4.498 -9.136 1.00 0.00 N ATOM 1127 CA LYS A 72 -2.075 -5.833 -8.835 1.00 0.00 C ATOM 1128 C LYS A 72 -3.083 -6.718 -8.101 1.00 0.00 C ATOM 1129 O LYS A 72 -3.036 -7.937 -8.251 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.709 -5.851 -8.174 1.00 0.00 C ATOM 1131 CG LYS A 72 0.389 -5.044 -8.883 1.00 0.00 C ATOM 1132 CD LYS A 72 1.702 -5.841 -8.897 1.00 0.00 C ATOM 1133 CE LYS A 72 2.878 -5.011 -9.426 1.00 0.00 C ATOM 1134 NZ LYS A 72 2.646 -4.531 -10.800 1.00 0.00 N ATOM 0 H LYS A 72 -1.915 -3.770 -8.757 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.980 -6.301 -9.815 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.813 -5.471 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.378 -6.887 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.082 -4.816 -9.904 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.538 -4.092 -8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.927 -6.185 -7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.579 -6.730 -9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.044 -4.158 -8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.786 -5.614 -9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.510 -4.078 -11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.396 -5.335 -11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.868 -3.841 -10.800 1.00 0.00 H new ATOM 1148 N ILE A 73 -4.007 -6.144 -7.328 1.00 0.00 N ATOM 1149 CA ILE A 73 -5.030 -6.960 -6.671 1.00 0.00 C ATOM 1150 C ILE A 73 -5.858 -7.711 -7.724 1.00 0.00 C ATOM 1151 O ILE A 73 -6.399 -8.772 -7.433 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.967 -6.110 -5.801 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -6.387 -4.848 -6.549 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -5.328 -5.725 -4.460 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.786 -4.394 -6.167 1.00 0.00 C ATOM 0 H ILE A 73 -4.069 -5.143 -7.144 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.516 -7.670 -6.023 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.844 -6.722 -5.588 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.677 -4.049 -6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.347 -5.034 -7.622 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.030 -5.125 -3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.078 -6.628 -3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.421 -5.148 -4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.041 -3.493 -6.725 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.501 -5.182 -6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.820 -4.181 -5.098 1.00 0.00 H new ATOM 1167 N SER A 74 -5.935 -7.183 -8.951 1.00 0.00 N ATOM 1168 CA SER A 74 -6.630 -7.800 -10.067 1.00 0.00 C ATOM 1169 C SER A 74 -5.559 -8.360 -11.002 1.00 0.00 C ATOM 1170 O SER A 74 -5.683 -8.279 -12.221 1.00 0.00 O ATOM 1171 CB SER A 74 -7.489 -6.743 -10.770 1.00 0.00 C ATOM 1172 OG SER A 74 -8.389 -6.162 -9.846 1.00 0.00 O ATOM 0 H SER A 74 -5.502 -6.292 -9.193 1.00 0.00 H new ATOM 0 HA SER A 74 -7.294 -8.602 -9.743 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.851 -5.973 -11.203 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.041 -7.199 -11.592 1.00 0.00 H new ATOM 0 HG SER A 74 -8.934 -5.486 -10.301 1.00 0.00 H new ATOM 1178 N GLN A 75 -4.481 -8.906 -10.435 1.00 0.00 N ATOM 1179 CA GLN A 75 -3.344 -9.448 -11.159 1.00 0.00 C ATOM 1180 C GLN A 75 -2.780 -10.653 -10.406 1.00 0.00 C ATOM 1181 O GLN A 75 -3.359 -11.107 -9.420 1.00 0.00 O ATOM 1182 CB GLN A 75 -2.296 -8.331 -11.302 1.00 0.00 C ATOM 1183 CG GLN A 75 -1.527 -8.395 -12.629 1.00 0.00 C ATOM 1184 CD GLN A 75 -2.195 -7.595 -13.753 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -1.527 -7.124 -14.662 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -3.506 -7.398 -13.734 1.00 0.00 N ATOM 0 H GLN A 75 -4.379 -8.982 -9.423 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.639 -9.791 -12.150 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.791 -7.363 -11.222 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.589 -8.396 -10.475 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.516 -8.018 -12.474 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.435 -9.436 -12.938 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.069 -7.788 -12.979 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.951 -6.856 -14.475 1.00 0.00 H new