USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 542 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= 0 X(o=-0.35,f=0) USER MOD Set 1.2: A 22 GLN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 2 SER OG : rot -21:sc= 0.745 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -174:sc= 1.21 (180deg=1.09) USER MOD Single : A 13 TYR OH : rot -10:sc= 1.31 USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 1.81 (180deg=1.7) USER MOD Single : A 24 SER OG : rot 100:sc= 0.645 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -0.0704 (180deg=-0.328) USER MOD Single : A 33 GLN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 34 THR OG1 : rot 71:sc= 1.12 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -28:sc= 0.0779 USER MOD Single : A 45 THR OG1 : rot 160:sc= -0.268 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.815 K(o=0.82,f=-1.5!) USER MOD Single : A 62 SER OG : rot -66:sc= 0.514 USER MOD Single : A 67 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.7) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= 1.29 (180deg=1.03) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.867 K(o=-0.87,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 2 -13.134 3.887 1.625 1.00 0.00 N ATOM 24 CA SER A 2 -13.367 3.382 2.971 1.00 0.00 C ATOM 25 C SER A 2 -12.422 2.205 3.272 1.00 0.00 C ATOM 26 O SER A 2 -11.967 1.528 2.346 1.00 0.00 O ATOM 27 CB SER A 2 -14.855 3.021 3.103 1.00 0.00 C ATOM 28 OG SER A 2 -15.444 2.738 1.838 1.00 0.00 O ATOM 0 HA SER A 2 -13.141 4.142 3.719 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.962 2.155 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.389 3.845 3.576 1.00 0.00 H new ATOM 0 HG SER A 2 -14.902 3.140 1.127 1.00 0.00 H new ATOM 34 N PRO A 3 -12.118 1.937 4.554 1.00 0.00 N ATOM 35 CA PRO A 3 -11.092 0.983 4.953 1.00 0.00 C ATOM 36 C PRO A 3 -11.278 -0.392 4.315 1.00 0.00 C ATOM 37 O PRO A 3 -10.322 -0.963 3.801 1.00 0.00 O ATOM 38 CB PRO A 3 -11.122 0.933 6.485 1.00 0.00 C ATOM 39 CG PRO A 3 -12.470 1.558 6.858 1.00 0.00 C ATOM 40 CD PRO A 3 -12.701 2.561 5.727 1.00 0.00 C ATOM 0 HA PRO A 3 -10.113 1.305 4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.043 -0.091 6.851 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.292 1.491 6.918 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.263 0.812 6.905 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.434 2.047 7.832 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.763 2.758 5.584 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.226 3.518 5.944 1.00 0.00 H new ATOM 48 N GLU A 4 -12.494 -0.938 4.318 1.00 0.00 N ATOM 49 CA GLU A 4 -12.776 -2.234 3.759 1.00 0.00 C ATOM 50 C GLU A 4 -12.659 -2.264 2.223 1.00 0.00 C ATOM 51 O GLU A 4 -12.358 -3.314 1.651 1.00 0.00 O ATOM 52 CB GLU A 4 -14.141 -2.676 4.288 1.00 0.00 C ATOM 53 CG GLU A 4 -15.236 -1.600 4.325 1.00 0.00 C ATOM 54 CD GLU A 4 -16.594 -2.266 4.344 1.00 0.00 C ATOM 55 OE1 GLU A 4 -16.951 -2.843 3.291 1.00 0.00 O ATOM 56 OE2 GLU A 4 -17.289 -2.206 5.393 1.00 0.00 O ATOM 0 H GLU A 4 -13.312 -0.477 4.717 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.022 -2.953 4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.495 -3.504 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.008 -3.064 5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.114 -0.972 5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.150 -0.948 3.456 1.00 0.00 H new ATOM 63 N GLU A 5 -12.860 -1.131 1.537 1.00 0.00 N ATOM 64 CA GLU A 5 -12.560 -1.058 0.109 1.00 0.00 C ATOM 65 C GLU A 5 -11.052 -1.213 -0.051 1.00 0.00 C ATOM 66 O GLU A 5 -10.552 -2.037 -0.814 1.00 0.00 O ATOM 67 CB GLU A 5 -13.003 0.289 -0.478 1.00 0.00 C ATOM 68 CG GLU A 5 -14.518 0.462 -0.386 1.00 0.00 C ATOM 69 CD GLU A 5 -15.238 -0.398 -1.406 1.00 0.00 C ATOM 70 OE1 GLU A 5 -14.887 -0.268 -2.607 1.00 0.00 O ATOM 71 OE2 GLU A 5 -16.127 -1.181 -0.986 1.00 0.00 O ATOM 0 H GLU A 5 -13.223 -0.268 1.943 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.096 -1.845 -0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.509 1.101 0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.690 0.355 -1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.855 0.199 0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.776 1.509 -0.544 1.00 0.00 H new ATOM 78 N LEU A 6 -10.328 -0.408 0.719 1.00 0.00 N ATOM 79 CA LEU A 6 -8.878 -0.371 0.691 1.00 0.00 C ATOM 80 C LEU A 6 -8.287 -1.730 1.083 1.00 0.00 C ATOM 81 O LEU A 6 -7.245 -2.116 0.562 1.00 0.00 O ATOM 82 CB LEU A 6 -8.375 0.805 1.540 1.00 0.00 C ATOM 83 CG LEU A 6 -8.693 2.162 0.877 1.00 0.00 C ATOM 84 CD1 LEU A 6 -8.648 3.282 1.922 1.00 0.00 C ATOM 85 CD2 LEU A 6 -7.698 2.483 -0.244 1.00 0.00 C ATOM 0 H LEU A 6 -10.741 0.243 1.387 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.527 -0.192 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.836 0.765 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.299 0.714 1.687 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.692 2.093 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.874 4.235 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.385 3.083 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.654 3.325 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.950 3.445 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.689 2.527 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.746 1.706 -1.007 1.00 0.00 H new ATOM 97 N LYS A 7 -8.968 -2.490 1.948 1.00 0.00 N ATOM 98 CA LYS A 7 -8.658 -3.880 2.234 1.00 0.00 C ATOM 99 C LYS A 7 -8.717 -4.738 0.966 1.00 0.00 C ATOM 100 O LYS A 7 -7.811 -5.527 0.702 1.00 0.00 O ATOM 101 CB LYS A 7 -9.656 -4.362 3.290 1.00 0.00 C ATOM 102 CG LYS A 7 -9.171 -5.584 4.071 1.00 0.00 C ATOM 103 CD LYS A 7 -10.013 -5.753 5.342 1.00 0.00 C ATOM 104 CE LYS A 7 -11.430 -6.305 5.108 1.00 0.00 C ATOM 105 NZ LYS A 7 -11.438 -7.745 4.779 1.00 0.00 N ATOM 0 H LYS A 7 -9.767 -2.140 2.477 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.640 -3.972 2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.855 -3.549 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.601 -4.603 2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.247 -6.477 3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.119 -5.466 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.486 -6.420 6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.092 -4.787 5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.032 -6.138 6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.902 -5.749 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.418 -8.062 4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.888 -7.906 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.014 -8.282 5.562 1.00 0.00 H new ATOM 119 N GLY A 8 -9.773 -4.576 0.168 1.00 0.00 N ATOM 120 CA GLY A 8 -9.927 -5.301 -1.083 1.00 0.00 C ATOM 121 C GLY A 8 -8.764 -4.981 -2.016 1.00 0.00 C ATOM 122 O GLY A 8 -8.122 -5.889 -2.554 1.00 0.00 O ATOM 0 H GLY A 8 -10.542 -3.938 0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.965 -6.373 -0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.870 -5.029 -1.557 1.00 0.00 H new ATOM 126 N ILE A 9 -8.493 -3.684 -2.186 1.00 0.00 N ATOM 127 CA ILE A 9 -7.391 -3.198 -3.007 1.00 0.00 C ATOM 128 C ILE A 9 -6.070 -3.813 -2.520 1.00 0.00 C ATOM 129 O ILE A 9 -5.353 -4.451 -3.290 1.00 0.00 O ATOM 130 CB ILE A 9 -7.375 -1.658 -2.977 1.00 0.00 C ATOM 131 CG1 ILE A 9 -8.664 -1.047 -3.566 1.00 0.00 C ATOM 132 CG2 ILE A 9 -6.132 -1.084 -3.670 1.00 0.00 C ATOM 133 CD1 ILE A 9 -8.745 -1.090 -5.096 1.00 0.00 C ATOM 0 H ILE A 9 -9.039 -2.939 -1.753 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.523 -3.505 -4.045 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.331 -1.375 -1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.523 -1.576 -3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.742 -0.010 -3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.161 0.005 -3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.235 -1.444 -3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.116 -1.405 -4.712 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.682 -0.640 -5.424 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.908 -0.535 -5.520 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.702 -2.125 -5.434 1.00 0.00 H new ATOM 145 N PHE A 10 -5.757 -3.641 -1.234 1.00 0.00 N ATOM 146 CA PHE A 10 -4.598 -4.241 -0.587 1.00 0.00 C ATOM 147 C PHE A 10 -4.472 -5.719 -0.974 1.00 0.00 C ATOM 148 O PHE A 10 -3.443 -6.113 -1.519 1.00 0.00 O ATOM 149 CB PHE A 10 -4.695 -4.058 0.935 1.00 0.00 C ATOM 150 CG PHE A 10 -3.568 -4.714 1.701 1.00 0.00 C ATOM 151 CD1 PHE A 10 -2.306 -4.090 1.764 1.00 0.00 C ATOM 152 CD2 PHE A 10 -3.667 -6.082 2.002 1.00 0.00 C ATOM 153 CE1 PHE A 10 -1.160 -4.865 1.986 1.00 0.00 C ATOM 154 CE2 PHE A 10 -2.514 -6.878 1.930 1.00 0.00 C ATOM 155 CZ PHE A 10 -1.257 -6.265 1.917 1.00 0.00 C ATOM 0 H PHE A 10 -6.317 -3.067 -0.603 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.694 -3.737 -0.929 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.705 -2.992 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.644 -4.468 1.281 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.223 -3.020 1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.616 -6.514 2.284 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.214 -4.392 2.207 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.596 -7.954 1.885 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.362 -6.867 1.854 1.00 0.00 H new ATOM 165 N GLU A 11 -5.514 -6.523 -0.717 1.00 0.00 N ATOM 166 CA GLU A 11 -5.504 -7.948 -1.043 1.00 0.00 C ATOM 167 C GLU A 11 -5.136 -8.164 -2.516 1.00 0.00 C ATOM 168 O GLU A 11 -4.238 -8.945 -2.830 1.00 0.00 O ATOM 169 CB GLU A 11 -6.862 -8.587 -0.693 1.00 0.00 C ATOM 170 CG GLU A 11 -6.869 -10.100 -0.977 1.00 0.00 C ATOM 171 CD GLU A 11 -8.063 -10.802 -0.356 1.00 0.00 C ATOM 172 OE1 GLU A 11 -7.943 -11.221 0.818 1.00 0.00 O ATOM 173 OE2 GLU A 11 -9.109 -10.935 -1.042 1.00 0.00 O ATOM 0 H GLU A 11 -6.379 -6.203 -0.281 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.741 -8.442 -0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.086 -8.413 0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.651 -8.105 -1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.875 -10.264 -2.055 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.950 -10.543 -0.592 1.00 0.00 H new ATOM 180 N LYS A 12 -5.835 -7.467 -3.414 1.00 0.00 N ATOM 181 CA LYS A 12 -5.640 -7.573 -4.852 1.00 0.00 C ATOM 182 C LYS A 12 -4.161 -7.419 -5.209 1.00 0.00 C ATOM 183 O LYS A 12 -3.600 -8.283 -5.882 1.00 0.00 O ATOM 184 CB LYS A 12 -6.519 -6.535 -5.569 1.00 0.00 C ATOM 185 CG LYS A 12 -6.549 -6.723 -7.094 1.00 0.00 C ATOM 186 CD LYS A 12 -7.512 -5.731 -7.772 1.00 0.00 C ATOM 187 CE LYS A 12 -7.009 -4.275 -7.720 1.00 0.00 C ATOM 188 NZ LYS A 12 -8.012 -3.318 -8.225 1.00 0.00 N ATOM 0 H LYS A 12 -6.564 -6.803 -3.153 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.945 -8.564 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.536 -6.598 -5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.151 -5.535 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.545 -6.589 -7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.853 -7.743 -7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.654 -6.024 -8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.487 -5.791 -7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.750 -4.019 -6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.097 -4.187 -8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.594 -2.367 -8.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.316 -3.604 -9.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.834 -3.308 -7.588 1.00 0.00 H new ATOM 202 N TYR A 13 -3.519 -6.326 -4.778 1.00 0.00 N ATOM 203 CA TYR A 13 -2.114 -6.140 -5.118 1.00 0.00 C ATOM 204 C TYR A 13 -1.213 -7.111 -4.348 1.00 0.00 C ATOM 205 O TYR A 13 -0.349 -7.735 -4.962 1.00 0.00 O ATOM 206 CB TYR A 13 -1.697 -4.672 -5.022 1.00 0.00 C ATOM 207 CG TYR A 13 -2.288 -3.830 -6.137 1.00 0.00 C ATOM 208 CD1 TYR A 13 -3.589 -3.328 -5.983 1.00 0.00 C ATOM 209 CD2 TYR A 13 -1.542 -3.490 -7.286 1.00 0.00 C ATOM 210 CE1 TYR A 13 -4.191 -2.597 -7.012 1.00 0.00 C ATOM 211 CE2 TYR A 13 -2.191 -2.864 -8.367 1.00 0.00 C ATOM 212 CZ TYR A 13 -3.521 -2.422 -8.229 1.00 0.00 C ATOM 213 OH TYR A 13 -4.164 -1.811 -9.261 1.00 0.00 O ATOM 0 H TYR A 13 -3.936 -5.585 -4.214 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.978 -6.401 -6.168 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.013 -4.269 -4.060 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.610 -4.603 -5.055 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.129 -3.507 -5.065 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.485 -3.708 -7.335 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.172 -2.168 -6.868 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.669 -2.723 -9.302 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.113 -1.707 -9.039 1.00 0.00 H new ATOM 223 N ALA A 14 -1.421 -7.291 -3.037 1.00 0.00 N ATOM 224 CA ALA A 14 -0.598 -8.159 -2.200 1.00 0.00 C ATOM 225 C ALA A 14 -0.347 -9.556 -2.773 1.00 0.00 C ATOM 226 O ALA A 14 0.663 -10.172 -2.425 1.00 0.00 O ATOM 227 CB ALA A 14 -1.252 -8.278 -0.829 1.00 0.00 C ATOM 0 H ALA A 14 -2.175 -6.831 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 14 0.384 -7.690 -2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.648 -8.924 -0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.328 -7.290 -0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.249 -8.705 -0.937 1.00 0.00 H new ATOM 233 N ALA A 15 -1.276 -10.072 -3.585 1.00 0.00 N ATOM 234 CA ALA A 15 -1.208 -11.412 -4.148 1.00 0.00 C ATOM 235 C ALA A 15 -0.528 -11.513 -5.522 1.00 0.00 C ATOM 236 O ALA A 15 -0.375 -12.631 -6.038 1.00 0.00 O ATOM 237 CB ALA A 15 -2.618 -12.005 -4.158 1.00 0.00 C ATOM 0 H ALA A 15 -2.108 -9.556 -3.870 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.550 -11.997 -3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.587 -13.011 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.002 -12.049 -3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.272 -11.379 -4.765 1.00 0.00 H new ATOM 243 N LYS A 16 -0.173 -10.396 -6.176 1.00 0.00 N ATOM 244 CA LYS A 16 0.434 -10.461 -7.514 1.00 0.00 C ATOM 245 C LYS A 16 1.728 -11.285 -7.515 1.00 0.00 C ATOM 246 O LYS A 16 1.916 -12.171 -8.355 1.00 0.00 O ATOM 247 CB LYS A 16 0.744 -9.054 -8.040 1.00 0.00 C ATOM 248 CG LYS A 16 0.275 -8.827 -9.479 1.00 0.00 C ATOM 249 CD LYS A 16 -1.250 -8.693 -9.631 1.00 0.00 C ATOM 250 CE LYS A 16 -1.848 -7.625 -8.697 1.00 0.00 C ATOM 251 NZ LYS A 16 -1.194 -6.303 -8.854 1.00 0.00 N ATOM 0 H LYS A 16 -0.293 -9.452 -5.808 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.293 -10.948 -8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.269 -8.318 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.819 -8.882 -7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.748 -7.924 -9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.619 -9.657 -10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.487 -8.440 -10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.718 -9.655 -9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.914 -7.526 -8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.750 -7.955 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.707 -5.593 -8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.210 -6.361 -8.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.206 -6.027 -9.857 1.00 0.00 H new ATOM 265 N GLU A 17 2.656 -10.901 -6.641 1.00 0.00 N ATOM 266 CA GLU A 17 4.021 -11.372 -6.534 1.00 0.00 C ATOM 267 C GLU A 17 4.088 -12.548 -5.549 1.00 0.00 C ATOM 268 O GLU A 17 3.067 -13.179 -5.250 1.00 0.00 O ATOM 269 CB GLU A 17 4.937 -10.171 -6.182 1.00 0.00 C ATOM 270 CG GLU A 17 4.293 -9.010 -5.392 1.00 0.00 C ATOM 271 CD GLU A 17 3.653 -9.421 -4.076 1.00 0.00 C ATOM 272 OE1 GLU A 17 2.833 -10.344 -4.059 1.00 0.00 O ATOM 273 OE2 GLU A 17 3.961 -8.881 -2.987 1.00 0.00 O ATOM 0 H GLU A 17 2.448 -10.195 -5.935 1.00 0.00 H new ATOM 0 HA GLU A 17 4.388 -11.769 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.782 -10.546 -5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.339 -9.767 -7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.055 -8.257 -5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.536 -8.538 -6.018 1.00 0.00 H new ATOM 280 N GLY A 18 5.295 -12.875 -5.059 1.00 0.00 N ATOM 281 CA GLY A 18 5.467 -13.876 -4.014 1.00 0.00 C ATOM 282 C GLY A 18 4.536 -13.571 -2.838 1.00 0.00 C ATOM 283 O GLY A 18 4.318 -12.405 -2.512 1.00 0.00 O ATOM 0 H GLY A 18 6.167 -12.453 -5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.252 -14.868 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.503 -13.886 -3.675 1.00 0.00 H new ATOM 287 N ASP A 19 3.975 -14.599 -2.197 1.00 0.00 N ATOM 288 CA ASP A 19 3.091 -14.513 -1.046 1.00 0.00 C ATOM 289 C ASP A 19 1.739 -13.810 -1.310 1.00 0.00 C ATOM 290 O ASP A 19 1.705 -12.772 -1.974 1.00 0.00 O ATOM 291 CB ASP A 19 3.852 -13.892 0.130 1.00 0.00 C ATOM 292 CG ASP A 19 3.001 -12.861 0.838 1.00 0.00 C ATOM 293 OD1 ASP A 19 2.927 -11.734 0.286 1.00 0.00 O ATOM 294 OD2 ASP A 19 2.320 -13.224 1.817 1.00 0.00 O ATOM 0 H ASP A 19 4.138 -15.563 -2.487 1.00 0.00 H new ATOM 0 HA ASP A 19 2.797 -15.533 -0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.144 -14.673 0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.770 -13.427 -0.230 1.00 0.00 H new ATOM 299 N PRO A 20 0.646 -14.296 -0.696 1.00 0.00 N ATOM 300 CA PRO A 20 -0.674 -13.684 -0.772 1.00 0.00 C ATOM 301 C PRO A 20 -0.858 -12.481 0.167 1.00 0.00 C ATOM 302 O PRO A 20 -1.665 -11.601 -0.134 1.00 0.00 O ATOM 303 CB PRO A 20 -1.649 -14.801 -0.392 1.00 0.00 C ATOM 304 CG PRO A 20 -0.849 -15.621 0.617 1.00 0.00 C ATOM 305 CD PRO A 20 0.573 -15.533 0.070 1.00 0.00 C ATOM 0 HA PRO A 20 -0.838 -13.281 -1.772 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.566 -14.406 0.045 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.939 -15.396 -1.258 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.922 -15.208 1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.199 -16.652 0.670 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.301 -15.530 0.881 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.800 -16.393 -0.560 1.00 0.00 H new ATOM 313 N ASN A 21 -0.217 -12.462 1.344 1.00 0.00 N ATOM 314 CA ASN A 21 -0.597 -11.577 2.431 1.00 0.00 C ATOM 315 C ASN A 21 0.077 -10.215 2.321 1.00 0.00 C ATOM 316 O ASN A 21 -0.532 -9.219 2.702 1.00 0.00 O ATOM 317 CB ASN A 21 -0.244 -12.239 3.765 1.00 0.00 C ATOM 318 CG ASN A 21 -0.483 -11.298 4.942 1.00 0.00 C ATOM 319 OD1 ASN A 21 -1.569 -10.744 5.119 1.00 0.00 O ATOM 320 ND2 ASN A 21 0.534 -11.108 5.773 1.00 0.00 N ATOM 0 H ASN A 21 0.578 -13.063 1.560 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.672 -11.407 2.372 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.842 -13.141 3.893 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.801 -12.548 3.753 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.426 -10.492 6.579 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.424 -11.578 5.606 1.00 0.00 H new ATOM 327 N GLN A 22 1.330 -10.166 1.852 1.00 0.00 N ATOM 328 CA GLN A 22 2.137 -8.956 1.895 1.00 0.00 C ATOM 329 C GLN A 22 2.255 -8.267 0.536 1.00 0.00 C ATOM 330 O GLN A 22 2.240 -8.927 -0.497 1.00 0.00 O ATOM 331 CB GLN A 22 3.528 -9.267 2.468 1.00 0.00 C ATOM 332 CG GLN A 22 3.502 -9.436 3.984 1.00 0.00 C ATOM 333 CD GLN A 22 4.531 -10.421 4.508 1.00 0.00 C ATOM 334 OE1 GLN A 22 4.181 -11.369 5.204 1.00 0.00 O ATOM 335 NE2 GLN A 22 5.802 -10.243 4.176 1.00 0.00 N ATOM 0 H GLN A 22 1.805 -10.966 1.434 1.00 0.00 H new ATOM 0 HA GLN A 22 1.622 -8.255 2.551 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.913 -10.178 2.009 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.215 -8.463 2.205 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.670 -8.466 4.451 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.509 -9.767 4.286 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.071 -9.448 3.596 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.511 -10.901 4.500 1.00 0.00 H new ATOM 344 N LEU A 23 2.384 -6.940 0.550 1.00 0.00 N ATOM 345 CA LEU A 23 2.718 -6.083 -0.577 1.00 0.00 C ATOM 346 C LEU A 23 4.231 -5.913 -0.681 1.00 0.00 C ATOM 347 O LEU A 23 4.827 -5.304 0.217 1.00 0.00 O ATOM 348 CB LEU A 23 2.107 -4.699 -0.310 1.00 0.00 C ATOM 349 CG LEU A 23 0.713 -4.481 -0.886 1.00 0.00 C ATOM 350 CD1 LEU A 23 0.240 -3.078 -0.478 1.00 0.00 C ATOM 351 CD2 LEU A 23 0.721 -4.521 -2.417 1.00 0.00 C ATOM 0 H LEU A 23 2.248 -6.405 1.408 1.00 0.00 H new ATOM 0 HA LEU A 23 2.337 -6.525 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.066 -4.540 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.774 -3.940 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 23 0.064 -5.271 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.757 -2.899 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.212 -3.005 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.930 -2.332 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.291 -4.362 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.376 -3.738 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.083 -5.492 -2.754 1.00 0.00 H new ATOM 363 N SER A 24 4.848 -6.358 -1.785 1.00 0.00 N ATOM 364 CA SER A 24 6.266 -6.106 -1.985 1.00 0.00 C ATOM 365 C SER A 24 6.532 -4.622 -2.243 1.00 0.00 C ATOM 366 O SER A 24 5.623 -3.833 -2.532 1.00 0.00 O ATOM 367 CB SER A 24 6.843 -6.985 -3.099 1.00 0.00 C ATOM 368 OG SER A 24 6.676 -6.385 -4.376 1.00 0.00 O ATOM 0 H SER A 24 4.393 -6.882 -2.533 1.00 0.00 H new ATOM 0 HA SER A 24 6.782 -6.377 -1.064 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.903 -7.160 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.353 -7.958 -3.086 1.00 0.00 H new ATOM 0 HG SER A 24 7.514 -5.956 -4.648 1.00 0.00 H new ATOM 374 N LYS A 25 7.805 -4.247 -2.143 1.00 0.00 N ATOM 375 CA LYS A 25 8.267 -2.887 -2.347 1.00 0.00 C ATOM 376 C LYS A 25 7.937 -2.418 -3.756 1.00 0.00 C ATOM 377 O LYS A 25 7.278 -1.400 -3.941 1.00 0.00 O ATOM 378 CB LYS A 25 9.755 -2.846 -1.986 1.00 0.00 C ATOM 379 CG LYS A 25 10.394 -1.460 -2.154 1.00 0.00 C ATOM 380 CD LYS A 25 11.839 -1.413 -1.626 1.00 0.00 C ATOM 381 CE LYS A 25 11.928 -1.809 -0.145 1.00 0.00 C ATOM 382 NZ LYS A 25 13.238 -1.502 0.452 1.00 0.00 N ATOM 0 H LYS A 25 8.556 -4.898 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 25 7.753 -2.177 -1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.878 -3.170 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.291 -3.561 -2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.386 -1.185 -3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.793 -0.719 -1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.462 -2.083 -2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.239 -0.408 -1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.149 -1.289 0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.731 -2.877 -0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.240 -1.790 1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.982 -2.018 -0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.419 -0.480 0.386 1.00 0.00 H new ATOM 396 N GLU A 26 8.343 -3.182 -4.764 1.00 0.00 N ATOM 397 CA GLU A 26 7.994 -2.889 -6.124 1.00 0.00 C ATOM 398 C GLU A 26 6.489 -3.089 -6.372 1.00 0.00 C ATOM 399 O GLU A 26 5.934 -2.355 -7.181 1.00 0.00 O ATOM 400 CB GLU A 26 8.896 -3.739 -7.011 1.00 0.00 C ATOM 401 CG GLU A 26 10.347 -3.215 -7.020 1.00 0.00 C ATOM 402 CD GLU A 26 10.588 -1.985 -7.894 1.00 0.00 C ATOM 403 OE1 GLU A 26 9.981 -1.872 -8.983 1.00 0.00 O ATOM 404 OE2 GLU A 26 11.461 -1.167 -7.515 1.00 0.00 O ATOM 0 H GLU A 26 8.920 -4.015 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 26 8.162 -1.839 -6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.884 -4.771 -6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.505 -3.744 -8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.637 -2.976 -5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.004 -4.016 -7.359 1.00 0.00 H new ATOM 411 N GLU A 27 5.784 -4.022 -5.700 1.00 0.00 N ATOM 412 CA GLU A 27 4.331 -4.091 -5.900 1.00 0.00 C ATOM 413 C GLU A 27 3.666 -2.770 -5.491 1.00 0.00 C ATOM 414 O GLU A 27 2.733 -2.322 -6.162 1.00 0.00 O ATOM 415 CB GLU A 27 3.698 -5.295 -5.185 1.00 0.00 C ATOM 416 CG GLU A 27 2.347 -5.716 -5.804 1.00 0.00 C ATOM 417 CD GLU A 27 2.347 -6.129 -7.284 1.00 0.00 C ATOM 418 OE1 GLU A 27 3.406 -6.555 -7.815 1.00 0.00 O ATOM 419 OE2 GLU A 27 1.251 -6.020 -7.884 1.00 0.00 O ATOM 0 H GLU A 27 6.175 -4.703 -5.048 1.00 0.00 H new ATOM 0 HA GLU A 27 4.154 -4.244 -6.965 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.388 -6.138 -5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.550 -5.051 -4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.954 -6.549 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.649 -4.887 -5.685 1.00 0.00 H new ATOM 426 N LEU A 28 4.164 -2.123 -4.425 1.00 0.00 N ATOM 427 CA LEU A 28 3.673 -0.796 -4.075 1.00 0.00 C ATOM 428 C LEU A 28 3.687 0.141 -5.293 1.00 0.00 C ATOM 429 O LEU A 28 2.723 0.869 -5.516 1.00 0.00 O ATOM 430 CB LEU A 28 4.505 -0.217 -2.927 1.00 0.00 C ATOM 431 CG LEU A 28 3.889 1.018 -2.251 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.521 0.720 -1.617 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.849 1.505 -1.160 1.00 0.00 C ATOM 0 H LEU A 28 4.888 -2.492 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 28 2.638 -0.886 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.651 -0.992 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.491 0.047 -3.308 1.00 0.00 H new ATOM 0 HG LEU A 28 3.736 1.778 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.130 1.626 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.829 0.379 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.632 -0.056 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.427 2.382 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.996 0.714 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.807 1.766 -1.609 1.00 0.00 H new ATOM 445 N LYS A 29 4.760 0.116 -6.094 1.00 0.00 N ATOM 446 CA LYS A 29 4.896 0.963 -7.278 1.00 0.00 C ATOM 447 C LYS A 29 3.642 0.890 -8.155 1.00 0.00 C ATOM 448 O LYS A 29 2.948 1.890 -8.350 1.00 0.00 O ATOM 449 CB LYS A 29 6.139 0.543 -8.075 1.00 0.00 C ATOM 450 CG LYS A 29 6.491 1.512 -9.206 1.00 0.00 C ATOM 451 CD LYS A 29 7.248 2.717 -8.638 1.00 0.00 C ATOM 452 CE LYS A 29 7.863 3.643 -9.698 1.00 0.00 C ATOM 453 NZ LYS A 29 8.743 2.906 -10.620 1.00 0.00 N ATOM 0 H LYS A 29 5.560 -0.496 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 29 5.013 1.997 -6.954 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.988 0.465 -7.396 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.974 -0.449 -8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.102 1.006 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.583 1.845 -9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.566 3.299 -8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.043 2.356 -7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.067 4.128 -10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.431 4.433 -9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.307 3.581 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.379 2.290 -10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.166 2.326 -11.262 1.00 0.00 H new ATOM 467 N LEU A 30 3.375 -0.294 -8.706 1.00 0.00 N ATOM 468 CA LEU A 30 2.226 -0.493 -9.579 1.00 0.00 C ATOM 469 C LEU A 30 0.922 -0.118 -8.878 1.00 0.00 C ATOM 470 O LEU A 30 0.076 0.531 -9.488 1.00 0.00 O ATOM 471 CB LEU A 30 2.102 -1.887 -10.208 1.00 0.00 C ATOM 472 CG LEU A 30 2.800 -3.115 -9.615 1.00 0.00 C ATOM 473 CD1 LEU A 30 2.123 -4.337 -10.252 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.288 -3.193 -9.973 1.00 0.00 C ATOM 0 H LEU A 30 3.942 -1.129 -8.561 1.00 0.00 H new ATOM 0 HA LEU A 30 2.414 0.184 -10.413 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.038 -2.120 -10.247 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.447 -1.798 -11.238 1.00 0.00 H new ATOM 0 HG LEU A 30 2.722 -3.068 -8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.580 -5.248 -9.866 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.061 -4.333 -10.008 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.247 -4.299 -11.334 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.724 -4.085 -9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.400 -3.242 -11.056 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.800 -2.308 -9.595 1.00 0.00 H new ATOM 486 N LEU A 31 0.743 -0.542 -7.624 1.00 0.00 N ATOM 487 CA LEU A 31 -0.414 -0.174 -6.808 1.00 0.00 C ATOM 488 C LEU A 31 -0.682 1.323 -6.939 1.00 0.00 C ATOM 489 O LEU A 31 -1.756 1.743 -7.384 1.00 0.00 O ATOM 490 CB LEU A 31 -0.178 -0.554 -5.334 1.00 0.00 C ATOM 491 CG LEU A 31 -1.444 -0.846 -4.509 1.00 0.00 C ATOM 492 CD1 LEU A 31 -1.135 -0.738 -3.014 1.00 0.00 C ATOM 493 CD2 LEU A 31 -2.659 0.026 -4.834 1.00 0.00 C ATOM 0 H LEU A 31 1.403 -1.155 -7.144 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.287 -0.722 -7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.464 -1.434 -5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.369 0.257 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.726 -1.861 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.038 -0.947 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.362 -1.459 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.785 0.269 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.495 -0.262 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.413 1.073 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.936 -0.111 -5.879 1.00 0.00 H new ATOM 505 N LEU A 32 0.334 2.114 -6.580 1.00 0.00 N ATOM 506 CA LEU A 32 0.252 3.563 -6.635 1.00 0.00 C ATOM 507 C LEU A 32 -0.100 4.004 -8.052 1.00 0.00 C ATOM 508 O LEU A 32 -1.052 4.751 -8.264 1.00 0.00 O ATOM 509 CB LEU A 32 1.570 4.217 -6.193 1.00 0.00 C ATOM 510 CG LEU A 32 1.947 3.938 -4.734 1.00 0.00 C ATOM 511 CD1 LEU A 32 3.402 4.359 -4.498 1.00 0.00 C ATOM 512 CD2 LEU A 32 1.045 4.681 -3.744 1.00 0.00 C ATOM 0 H LEU A 32 1.231 1.762 -6.245 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.528 3.886 -5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.374 3.863 -6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.495 5.295 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 32 1.817 2.869 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.674 4.162 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.057 3.791 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.511 5.423 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.354 4.449 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.127 5.755 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.011 4.369 -3.889 1.00 0.00 H new ATOM 524 N GLN A 33 0.689 3.540 -9.018 1.00 0.00 N ATOM 525 CA GLN A 33 0.616 3.981 -10.389 1.00 0.00 C ATOM 526 C GLN A 33 -0.717 3.629 -11.054 1.00 0.00 C ATOM 527 O GLN A 33 -1.126 4.320 -11.993 1.00 0.00 O ATOM 528 CB GLN A 33 1.801 3.376 -11.138 1.00 0.00 C ATOM 529 CG GLN A 33 3.086 4.184 -10.927 1.00 0.00 C ATOM 530 CD GLN A 33 4.170 3.864 -11.950 1.00 0.00 C ATOM 531 OE1 GLN A 33 4.577 4.719 -12.736 1.00 0.00 O ATOM 532 NE2 GLN A 33 4.647 2.633 -12.004 1.00 0.00 N ATOM 0 H GLN A 33 1.407 2.834 -8.856 1.00 0.00 H new ATOM 0 HA GLN A 33 0.668 5.069 -10.419 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.958 2.351 -10.801 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.572 3.330 -12.203 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.851 5.247 -10.976 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.471 3.988 -9.926 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.308 1.926 -11.352 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.354 2.390 -12.698 1.00 0.00 H new ATOM 541 N THR A 34 -1.374 2.564 -10.589 1.00 0.00 N ATOM 542 CA THR A 34 -2.685 2.171 -11.077 1.00 0.00 C ATOM 543 C THR A 34 -3.767 2.962 -10.331 1.00 0.00 C ATOM 544 O THR A 34 -4.523 3.705 -10.955 1.00 0.00 O ATOM 545 CB THR A 34 -2.879 0.646 -10.957 1.00 0.00 C ATOM 546 OG1 THR A 34 -1.760 -0.062 -11.467 1.00 0.00 O ATOM 547 CG2 THR A 34 -4.123 0.215 -11.742 1.00 0.00 C ATOM 0 H THR A 34 -1.005 1.952 -9.861 1.00 0.00 H new ATOM 0 HA THR A 34 -2.769 2.410 -12.137 1.00 0.00 H new ATOM 0 HB THR A 34 -2.994 0.413 -9.898 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.998 0.051 -10.862 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.254 -0.863 -11.653 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.000 0.722 -11.340 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.000 0.480 -12.792 1.00 0.00 H new ATOM 555 N GLU A 35 -3.894 2.778 -9.011 1.00 0.00 N ATOM 556 CA GLU A 35 -5.079 3.225 -8.285 1.00 0.00 C ATOM 557 C GLU A 35 -4.965 4.680 -7.799 1.00 0.00 C ATOM 558 O GLU A 35 -6.000 5.312 -7.577 1.00 0.00 O ATOM 559 CB GLU A 35 -5.383 2.286 -7.102 1.00 0.00 C ATOM 560 CG GLU A 35 -5.434 0.780 -7.417 1.00 0.00 C ATOM 561 CD GLU A 35 -6.642 0.264 -8.201 1.00 0.00 C ATOM 562 OE1 GLU A 35 -7.637 1.016 -8.415 1.00 0.00 O ATOM 563 OE2 GLU A 35 -6.600 -0.914 -8.602 1.00 0.00 O ATOM 0 H GLU A 35 -3.190 2.323 -8.429 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.908 3.189 -8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.627 2.449 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.341 2.578 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.535 0.523 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.388 0.237 -6.473 1.00 0.00 H new ATOM 570 N PHE A 36 -3.749 5.212 -7.600 1.00 0.00 N ATOM 571 CA PHE A 36 -3.531 6.456 -6.855 1.00 0.00 C ATOM 572 C PHE A 36 -2.624 7.465 -7.589 1.00 0.00 C ATOM 573 O PHE A 36 -1.697 7.992 -6.971 1.00 0.00 O ATOM 574 CB PHE A 36 -2.912 6.081 -5.495 1.00 0.00 C ATOM 575 CG PHE A 36 -3.737 5.167 -4.601 1.00 0.00 C ATOM 576 CD1 PHE A 36 -4.940 5.636 -4.042 1.00 0.00 C ATOM 577 CD2 PHE A 36 -3.200 3.946 -4.148 1.00 0.00 C ATOM 578 CE1 PHE A 36 -5.558 4.937 -2.995 1.00 0.00 C ATOM 579 CE2 PHE A 36 -3.831 3.231 -3.116 1.00 0.00 C ATOM 580 CZ PHE A 36 -5.002 3.734 -2.530 1.00 0.00 C ATOM 0 H PHE A 36 -2.890 4.789 -7.953 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.492 6.956 -6.739 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.951 5.601 -5.679 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.709 7.001 -4.947 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.391 6.541 -4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.298 3.557 -4.597 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.461 5.324 -2.546 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.415 2.295 -2.774 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.476 3.197 -1.722 1.00 0.00 H new ATOM 590 N PRO A 37 -2.873 7.791 -8.869 1.00 0.00 N ATOM 591 CA PRO A 37 -1.969 8.588 -9.701 1.00 0.00 C ATOM 592 C PRO A 37 -1.653 9.996 -9.167 1.00 0.00 C ATOM 593 O PRO A 37 -0.545 10.497 -9.381 1.00 0.00 O ATOM 594 CB PRO A 37 -2.626 8.645 -11.085 1.00 0.00 C ATOM 595 CG PRO A 37 -4.105 8.379 -10.802 1.00 0.00 C ATOM 596 CD PRO A 37 -4.040 7.392 -9.637 1.00 0.00 C ATOM 0 HA PRO A 37 -0.989 8.112 -9.715 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.478 9.616 -11.558 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.207 7.896 -11.757 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.638 9.291 -10.533 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.615 7.955 -11.667 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.945 7.437 -9.031 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.946 6.366 -9.994 1.00 0.00 H new ATOM 604 N SER A 38 -2.606 10.649 -8.497 1.00 0.00 N ATOM 605 CA SER A 38 -2.420 11.960 -7.877 1.00 0.00 C ATOM 606 C SER A 38 -2.244 11.831 -6.362 1.00 0.00 C ATOM 607 O SER A 38 -1.494 12.591 -5.746 1.00 0.00 O ATOM 608 CB SER A 38 -3.558 12.908 -8.279 1.00 0.00 C ATOM 609 OG SER A 38 -4.848 12.375 -8.017 1.00 0.00 O ATOM 0 H SER A 38 -3.545 10.273 -8.369 1.00 0.00 H new ATOM 0 HA SER A 38 -1.497 12.405 -8.249 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.445 13.850 -7.742 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.475 13.135 -9.342 1.00 0.00 H new ATOM 0 HG SER A 38 -5.531 13.022 -8.291 1.00 0.00 H new ATOM 689 N SER A 44 7.034 10.556 -0.632 1.00 0.00 N ATOM 690 CA SER A 44 8.183 11.333 -1.071 1.00 0.00 C ATOM 691 C SER A 44 9.167 10.537 -1.944 1.00 0.00 C ATOM 692 O SER A 44 9.399 10.935 -3.086 1.00 0.00 O ATOM 693 CB SER A 44 8.805 12.022 0.143 1.00 0.00 C ATOM 694 OG SER A 44 9.201 11.097 1.140 1.00 0.00 O ATOM 0 HA SER A 44 7.849 12.112 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.671 12.603 -0.175 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.088 12.725 0.567 1.00 0.00 H new ATOM 0 HG SER A 44 8.636 10.298 1.088 1.00 0.00 H new ATOM 700 N THR A 45 9.703 9.407 -1.465 1.00 0.00 N ATOM 701 CA THR A 45 10.273 8.384 -2.345 1.00 0.00 C ATOM 702 C THR A 45 9.666 7.030 -1.973 1.00 0.00 C ATOM 703 O THR A 45 9.224 6.844 -0.841 1.00 0.00 O ATOM 704 CB THR A 45 11.811 8.365 -2.289 1.00 0.00 C ATOM 705 OG1 THR A 45 12.259 7.792 -1.078 1.00 0.00 O ATOM 706 CG2 THR A 45 12.419 9.759 -2.477 1.00 0.00 C ATOM 0 H THR A 45 9.753 9.180 -0.472 1.00 0.00 H new ATOM 0 HA THR A 45 10.022 8.618 -3.380 1.00 0.00 H new ATOM 0 HB THR A 45 12.151 7.749 -3.122 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.187 7.494 -1.181 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.506 9.691 -2.429 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.122 10.157 -3.447 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.062 10.421 -1.688 1.00 0.00 H new ATOM 714 N LEU A 46 9.637 6.078 -2.912 1.00 0.00 N ATOM 715 CA LEU A 46 9.038 4.759 -2.716 1.00 0.00 C ATOM 716 C LEU A 46 9.666 4.031 -1.525 1.00 0.00 C ATOM 717 O LEU A 46 8.984 3.360 -0.750 1.00 0.00 O ATOM 718 CB LEU A 46 9.243 3.935 -3.997 1.00 0.00 C ATOM 719 CG LEU A 46 8.439 2.622 -4.014 1.00 0.00 C ATOM 720 CD1 LEU A 46 6.968 2.882 -4.364 1.00 0.00 C ATOM 721 CD2 LEU A 46 9.053 1.663 -5.041 1.00 0.00 C ATOM 0 H LEU A 46 10.036 6.207 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 46 7.976 4.881 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.957 4.539 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.303 3.705 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 46 8.480 2.177 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.423 1.938 -4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.530 3.550 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.905 3.343 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.485 0.733 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.023 2.121 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.088 1.453 -4.770 1.00 0.00 H new ATOM 733 N ASP A 47 10.986 4.152 -1.412 1.00 0.00 N ATOM 734 CA ASP A 47 11.817 3.435 -0.476 1.00 0.00 C ATOM 735 C ASP A 47 11.522 3.977 0.915 1.00 0.00 C ATOM 736 O ASP A 47 11.263 3.204 1.835 1.00 0.00 O ATOM 737 CB ASP A 47 13.295 3.621 -0.858 1.00 0.00 C ATOM 738 CG ASP A 47 13.631 2.976 -2.195 1.00 0.00 C ATOM 739 OD1 ASP A 47 13.360 1.762 -2.339 1.00 0.00 O ATOM 740 OD2 ASP A 47 14.164 3.683 -3.075 1.00 0.00 O ATOM 0 H ASP A 47 11.522 4.786 -2.004 1.00 0.00 H new ATOM 0 HA ASP A 47 11.607 2.366 -0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.525 4.685 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.926 3.190 -0.080 1.00 0.00 H new ATOM 745 N GLU A 48 11.570 5.303 1.041 1.00 0.00 N ATOM 746 CA GLU A 48 11.298 6.026 2.271 1.00 0.00 C ATOM 747 C GLU A 48 9.841 5.827 2.693 1.00 0.00 C ATOM 748 O GLU A 48 9.562 5.669 3.883 1.00 0.00 O ATOM 749 CB GLU A 48 11.667 7.503 2.065 1.00 0.00 C ATOM 750 CG GLU A 48 13.186 7.595 1.864 1.00 0.00 C ATOM 751 CD GLU A 48 13.661 8.900 1.269 1.00 0.00 C ATOM 752 OE1 GLU A 48 13.337 9.974 1.847 1.00 0.00 O ATOM 753 OE2 GLU A 48 14.399 8.834 0.267 1.00 0.00 O ATOM 0 H GLU A 48 11.807 5.918 0.262 1.00 0.00 H new ATOM 0 HA GLU A 48 11.907 5.639 3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.144 7.908 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.361 8.095 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.677 7.449 2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.504 6.778 1.217 1.00 0.00 H new ATOM 760 N LEU A 49 8.929 5.812 1.718 1.00 0.00 N ATOM 761 CA LEU A 49 7.523 5.518 1.929 1.00 0.00 C ATOM 762 C LEU A 49 7.379 4.125 2.537 1.00 0.00 C ATOM 763 O LEU A 49 6.937 4.016 3.679 1.00 0.00 O ATOM 764 CB LEU A 49 6.747 5.692 0.614 1.00 0.00 C ATOM 765 CG LEU A 49 5.288 5.224 0.694 1.00 0.00 C ATOM 766 CD1 LEU A 49 4.482 6.022 1.725 1.00 0.00 C ATOM 767 CD2 LEU A 49 4.627 5.314 -0.686 1.00 0.00 C ATOM 0 H LEU A 49 9.159 6.009 0.744 1.00 0.00 H new ATOM 0 HA LEU A 49 7.088 6.221 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.767 6.743 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.255 5.136 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 49 5.295 4.185 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.456 5.656 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.931 5.901 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.485 7.077 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.592 4.979 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.652 6.346 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.167 4.680 -1.390 1.00 0.00 H new ATOM 779 N PHE A 50 7.772 3.066 1.814 1.00 0.00 N ATOM 780 CA PHE A 50 7.845 1.715 2.327 1.00 0.00 C ATOM 781 C PHE A 50 8.505 1.687 3.707 1.00 0.00 C ATOM 782 O PHE A 50 8.088 0.910 4.559 1.00 0.00 O ATOM 783 CB PHE A 50 8.622 0.884 1.304 1.00 0.00 C ATOM 784 CG PHE A 50 8.589 -0.605 1.560 1.00 0.00 C ATOM 785 CD1 PHE A 50 9.555 -1.193 2.395 1.00 0.00 C ATOM 786 CD2 PHE A 50 7.697 -1.415 0.837 1.00 0.00 C ATOM 787 CE1 PHE A 50 9.772 -2.585 2.350 1.00 0.00 C ATOM 788 CE2 PHE A 50 7.837 -2.814 0.899 1.00 0.00 C ATOM 789 CZ PHE A 50 8.958 -3.378 1.526 1.00 0.00 C ATOM 0 H PHE A 50 8.051 3.140 0.836 1.00 0.00 H new ATOM 0 HA PHE A 50 6.847 1.297 2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.217 1.079 0.311 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.660 1.217 1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.131 -0.578 3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.914 -0.970 0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.555 -3.036 2.942 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.082 -3.453 0.464 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.194 -4.421 1.375 1.00 0.00 H new ATOM 799 N GLU A 51 9.516 2.524 3.964 1.00 0.00 N ATOM 800 CA GLU A 51 10.122 2.535 5.299 1.00 0.00 C ATOM 801 C GLU A 51 9.279 3.184 6.404 1.00 0.00 C ATOM 802 O GLU A 51 9.359 2.767 7.569 1.00 0.00 O ATOM 803 CB GLU A 51 11.532 3.134 5.241 1.00 0.00 C ATOM 804 CG GLU A 51 12.494 2.154 4.562 1.00 0.00 C ATOM 805 CD GLU A 51 13.736 2.818 3.984 1.00 0.00 C ATOM 806 OE1 GLU A 51 14.043 3.987 4.337 1.00 0.00 O ATOM 807 OE2 GLU A 51 14.426 2.118 3.215 1.00 0.00 O ATOM 0 H GLU A 51 9.919 3.179 3.294 1.00 0.00 H new ATOM 0 HA GLU A 51 10.178 1.488 5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.513 4.076 4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.881 3.359 6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.800 1.399 5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.965 1.634 3.763 1.00 0.00 H new ATOM 814 N GLU A 52 8.451 4.183 6.099 1.00 0.00 N ATOM 815 CA GLU A 52 7.461 4.592 7.084 1.00 0.00 C ATOM 816 C GLU A 52 6.465 3.445 7.264 1.00 0.00 C ATOM 817 O GLU A 52 6.166 3.006 8.376 1.00 0.00 O ATOM 818 CB GLU A 52 6.766 5.880 6.630 1.00 0.00 C ATOM 819 CG GLU A 52 5.636 6.202 7.626 1.00 0.00 C ATOM 820 CD GLU A 52 5.116 7.631 7.579 1.00 0.00 C ATOM 821 OE1 GLU A 52 5.555 8.400 6.691 1.00 0.00 O ATOM 822 OE2 GLU A 52 4.295 7.960 8.467 1.00 0.00 O ATOM 0 H GLU A 52 8.445 4.701 5.220 1.00 0.00 H new ATOM 0 HA GLU A 52 7.936 4.805 8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.481 6.702 6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.362 5.759 5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.804 5.524 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.993 5.996 8.635 1.00 0.00 H new ATOM 829 N LEU A 53 5.991 2.953 6.126 1.00 0.00 N ATOM 830 CA LEU A 53 4.899 2.014 6.021 1.00 0.00 C ATOM 831 C LEU A 53 5.191 0.703 6.730 1.00 0.00 C ATOM 832 O LEU A 53 4.346 0.224 7.487 1.00 0.00 O ATOM 833 CB LEU A 53 4.653 1.743 4.535 1.00 0.00 C ATOM 834 CG LEU A 53 3.870 2.847 3.820 1.00 0.00 C ATOM 835 CD1 LEU A 53 3.761 2.435 2.350 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.471 3.065 4.400 1.00 0.00 C ATOM 0 H LEU A 53 6.378 3.213 5.219 1.00 0.00 H new ATOM 0 HA LEU A 53 4.022 2.448 6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.614 1.612 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.111 0.803 4.433 1.00 0.00 H new ATOM 0 HG LEU A 53 4.398 3.792 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.208 3.196 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.760 2.334 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.237 1.482 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.969 3.860 3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.894 2.144 4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.552 3.346 5.450 1.00 0.00 H new ATOM 848 N ASP A 54 6.353 0.097 6.480 1.00 0.00 N ATOM 849 CA ASP A 54 6.581 -1.268 6.867 1.00 0.00 C ATOM 850 C ASP A 54 7.152 -1.276 8.267 1.00 0.00 C ATOM 851 O ASP A 54 8.081 -0.524 8.574 1.00 0.00 O ATOM 852 CB ASP A 54 7.524 -1.992 5.916 1.00 0.00 C ATOM 853 CG ASP A 54 7.332 -3.459 6.215 1.00 0.00 C ATOM 854 OD1 ASP A 54 7.775 -3.980 7.260 1.00 0.00 O ATOM 855 OD2 ASP A 54 6.525 -4.100 5.529 1.00 0.00 O ATOM 0 H ASP A 54 7.141 0.542 6.011 1.00 0.00 H new ATOM 0 HA ASP A 54 5.630 -1.800 6.831 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.285 -1.767 4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.558 -1.688 6.079 1.00 0.00 H new ATOM 860 N LYS A 55 6.576 -2.093 9.128 1.00 0.00 N ATOM 861 CA LYS A 55 7.068 -2.266 10.485 1.00 0.00 C ATOM 862 C LYS A 55 8.546 -2.693 10.567 1.00 0.00 C ATOM 863 O LYS A 55 9.188 -2.362 11.565 1.00 0.00 O ATOM 864 CB LYS A 55 6.143 -3.198 11.276 1.00 0.00 C ATOM 865 CG LYS A 55 4.780 -2.543 11.570 1.00 0.00 C ATOM 866 CD LYS A 55 4.686 -1.943 12.988 1.00 0.00 C ATOM 867 CE LYS A 55 5.643 -0.773 13.274 1.00 0.00 C ATOM 868 NZ LYS A 55 5.281 0.460 12.546 1.00 0.00 N ATOM 0 H LYS A 55 5.754 -2.656 8.908 1.00 0.00 H new ATOM 0 HA LYS A 55 7.046 -1.282 10.953 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.989 -4.119 10.714 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.623 -3.474 12.215 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.597 -1.757 10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.993 -3.286 11.444 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.664 -1.603 13.153 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.880 -2.734 13.712 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.648 -0.568 14.345 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.657 -1.065 13.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.960 1.212 12.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.302 0.278 11.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.325 0.759 12.824 1.00 0.00 H new ATOM 882 N ASN A 56 9.108 -3.378 9.559 1.00 0.00 N ATOM 883 CA ASN A 56 10.552 -3.650 9.486 1.00 0.00 C ATOM 884 C ASN A 56 11.136 -3.390 8.093 1.00 0.00 C ATOM 885 O ASN A 56 12.216 -2.807 7.988 1.00 0.00 O ATOM 886 CB ASN A 56 10.913 -5.063 9.969 1.00 0.00 C ATOM 887 CG ASN A 56 10.642 -6.143 8.953 1.00 0.00 C ATOM 888 OD1 ASN A 56 9.518 -6.324 8.499 1.00 0.00 O ATOM 889 ND2 ASN A 56 11.682 -6.874 8.587 1.00 0.00 N ATOM 0 H ASN A 56 8.577 -3.757 8.775 1.00 0.00 H new ATOM 0 HA ASN A 56 11.012 -2.939 10.172 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.969 -5.086 10.237 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.350 -5.281 10.876 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.565 -7.621 7.903 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.601 -6.691 8.989 1.00 0.00 H new ATOM 896 N GLY A 57 10.431 -3.793 7.034 1.00 0.00 N ATOM 897 CA GLY A 57 10.867 -3.582 5.664 1.00 0.00 C ATOM 898 C GLY A 57 11.956 -4.583 5.280 1.00 0.00 C ATOM 899 O GLY A 57 13.093 -4.187 5.023 1.00 0.00 O ATOM 0 H GLY A 57 9.537 -4.277 7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.018 -3.684 4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.245 -2.566 5.550 1.00 0.00 H new ATOM 903 N ASP A 58 11.567 -5.861 5.225 1.00 0.00 N ATOM 904 CA ASP A 58 12.344 -7.037 4.811 1.00 0.00 C ATOM 905 C ASP A 58 11.481 -8.151 5.424 1.00 0.00 C ATOM 906 O ASP A 58 11.774 -8.742 6.460 1.00 0.00 O ATOM 907 CB ASP A 58 13.820 -7.033 5.286 1.00 0.00 C ATOM 908 CG ASP A 58 14.372 -8.359 5.817 1.00 0.00 C ATOM 909 OD1 ASP A 58 14.485 -9.278 4.974 1.00 0.00 O ATOM 910 OD2 ASP A 58 14.756 -8.444 7.008 1.00 0.00 O ATOM 0 H ASP A 58 10.618 -6.123 5.492 1.00 0.00 H new ATOM 0 HA ASP A 58 12.495 -7.122 3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.445 -6.713 4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.924 -6.282 6.069 1.00 0.00 H new ATOM 915 N GLY A 59 10.270 -8.250 4.892 1.00 0.00 N ATOM 916 CA GLY A 59 9.114 -8.531 5.728 1.00 0.00 C ATOM 917 C GLY A 59 8.117 -7.465 5.357 1.00 0.00 C ATOM 918 O GLY A 59 7.881 -6.538 6.120 1.00 0.00 O ATOM 0 H GLY A 59 10.065 -8.141 3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.719 -9.529 5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.369 -8.486 6.787 1.00 0.00 H new ATOM 922 N GLU A 60 7.618 -7.555 4.131 1.00 0.00 N ATOM 923 CA GLU A 60 7.125 -6.439 3.348 1.00 0.00 C ATOM 924 C GLU A 60 5.724 -6.034 3.828 1.00 0.00 C ATOM 925 O GLU A 60 5.319 -6.458 4.914 1.00 0.00 O ATOM 926 CB GLU A 60 7.229 -6.834 1.872 1.00 0.00 C ATOM 927 CG GLU A 60 8.675 -7.220 1.491 1.00 0.00 C ATOM 928 CD GLU A 60 9.057 -8.686 1.661 1.00 0.00 C ATOM 929 OE1 GLU A 60 8.281 -9.447 2.286 1.00 0.00 O ATOM 930 OE2 GLU A 60 10.124 -9.080 1.133 1.00 0.00 O ATOM 0 H GLU A 60 7.545 -8.445 3.639 1.00 0.00 H new ATOM 0 HA GLU A 60 7.721 -5.536 3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.562 -7.672 1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.896 -6.005 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.838 -6.944 0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.358 -6.618 2.091 1.00 0.00 H new ATOM 937 N VAL A 61 5.010 -5.143 3.135 1.00 0.00 N ATOM 938 CA VAL A 61 3.898 -4.443 3.783 1.00 0.00 C ATOM 939 C VAL A 61 2.751 -5.435 3.899 1.00 0.00 C ATOM 940 O VAL A 61 2.747 -6.421 3.184 1.00 0.00 O ATOM 941 CB VAL A 61 3.552 -3.145 3.027 1.00 0.00 C ATOM 942 CG1 VAL A 61 2.316 -2.433 3.585 1.00 0.00 C ATOM 943 CG2 VAL A 61 4.736 -2.169 3.118 1.00 0.00 C ATOM 0 H VAL A 61 5.173 -4.895 2.159 1.00 0.00 H new ATOM 0 HA VAL A 61 4.155 -4.105 4.787 1.00 0.00 H new ATOM 0 HB VAL A 61 3.341 -3.435 1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.127 -1.527 3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.453 -3.095 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.488 -2.170 4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.492 -1.251 2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.937 -1.938 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.619 -2.626 2.671 1.00 0.00 H new ATOM 953 N SER A 62 1.774 -5.226 4.771 1.00 0.00 N ATOM 954 CA SER A 62 0.555 -6.023 4.836 1.00 0.00 C ATOM 955 C SER A 62 -0.568 -5.071 5.242 1.00 0.00 C ATOM 956 O SER A 62 -0.260 -3.924 5.572 1.00 0.00 O ATOM 957 CB SER A 62 0.709 -7.226 5.771 1.00 0.00 C ATOM 958 OG SER A 62 1.005 -6.828 7.095 1.00 0.00 O ATOM 0 H SER A 62 1.807 -4.482 5.468 1.00 0.00 H new ATOM 0 HA SER A 62 0.321 -6.470 3.870 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.210 -7.811 5.764 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.503 -7.875 5.401 1.00 0.00 H new ATOM 0 HG SER A 62 1.892 -6.412 7.121 1.00 0.00 H new ATOM 964 N PHE A 63 -1.839 -5.487 5.224 1.00 0.00 N ATOM 965 CA PHE A 63 -2.937 -4.574 5.535 1.00 0.00 C ATOM 966 C PHE A 63 -2.697 -3.842 6.857 1.00 0.00 C ATOM 967 O PHE A 63 -2.887 -2.629 6.926 1.00 0.00 O ATOM 968 CB PHE A 63 -4.272 -5.308 5.502 1.00 0.00 C ATOM 969 CG PHE A 63 -5.460 -4.444 5.892 1.00 0.00 C ATOM 970 CD1 PHE A 63 -6.079 -3.646 4.913 1.00 0.00 C ATOM 971 CD2 PHE A 63 -5.816 -4.280 7.246 1.00 0.00 C ATOM 972 CE1 PHE A 63 -7.187 -2.849 5.253 1.00 0.00 C ATOM 973 CE2 PHE A 63 -6.808 -3.348 7.601 1.00 0.00 C ATOM 974 CZ PHE A 63 -7.578 -2.732 6.597 1.00 0.00 C ATOM 0 H PHE A 63 -2.128 -6.439 5.000 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.976 -3.805 4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.435 -5.701 4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.221 -6.164 6.175 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.704 -3.645 3.900 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.328 -4.869 8.009 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.736 -2.328 4.482 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.978 -3.106 8.640 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.464 -2.173 6.858 1.00 0.00 H new ATOM 984 N GLU A 64 -2.230 -4.590 7.859 1.00 0.00 N ATOM 985 CA GLU A 64 -1.875 -4.126 9.189 1.00 0.00 C ATOM 986 C GLU A 64 -1.129 -2.791 9.172 1.00 0.00 C ATOM 987 O GLU A 64 -1.487 -1.838 9.862 1.00 0.00 O ATOM 988 CB GLU A 64 -0.970 -5.194 9.829 1.00 0.00 C ATOM 989 CG GLU A 64 -0.856 -5.021 11.357 1.00 0.00 C ATOM 990 CD GLU A 64 -2.191 -5.042 12.099 1.00 0.00 C ATOM 991 OE1 GLU A 64 -2.755 -6.160 12.266 1.00 0.00 O ATOM 992 OE2 GLU A 64 -2.614 -3.944 12.545 1.00 0.00 O ATOM 0 H GLU A 64 -2.083 -5.594 7.751 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.794 -3.971 9.754 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.366 -6.185 9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.023 -5.140 9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.222 -5.814 11.753 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.353 -4.077 11.566 1.00 0.00 H new ATOM 999 N GLU A 65 -0.055 -2.755 8.393 1.00 0.00 N ATOM 1000 CA GLU A 65 0.930 -1.682 8.338 1.00 0.00 C ATOM 1001 C GLU A 65 0.475 -0.692 7.271 1.00 0.00 C ATOM 1002 O GLU A 65 0.627 0.518 7.415 1.00 0.00 O ATOM 1003 CB GLU A 65 2.346 -2.225 8.028 1.00 0.00 C ATOM 1004 CG GLU A 65 2.347 -3.752 7.964 1.00 0.00 C ATOM 1005 CD GLU A 65 3.685 -4.402 7.731 1.00 0.00 C ATOM 1006 OE1 GLU A 65 4.766 -3.878 8.068 1.00 0.00 O ATOM 1007 OE2 GLU A 65 3.688 -5.511 7.165 1.00 0.00 O ATOM 0 H GLU A 65 0.164 -3.514 7.748 1.00 0.00 H new ATOM 0 HA GLU A 65 0.997 -1.189 9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.696 -1.818 7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.044 -1.889 8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.937 -4.135 8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.671 -4.063 7.168 1.00 0.00 H new ATOM 1014 N PHE A 66 -0.149 -1.222 6.217 1.00 0.00 N ATOM 1015 CA PHE A 66 -0.792 -0.436 5.175 1.00 0.00 C ATOM 1016 C PHE A 66 -1.829 0.536 5.754 1.00 0.00 C ATOM 1017 O PHE A 66 -2.127 1.544 5.120 1.00 0.00 O ATOM 1018 CB PHE A 66 -1.420 -1.379 4.153 1.00 0.00 C ATOM 1019 CG PHE A 66 -2.101 -0.703 2.991 1.00 0.00 C ATOM 1020 CD1 PHE A 66 -1.383 -0.418 1.816 1.00 0.00 C ATOM 1021 CD2 PHE A 66 -3.468 -0.389 3.077 1.00 0.00 C ATOM 1022 CE1 PHE A 66 -2.047 0.130 0.705 1.00 0.00 C ATOM 1023 CE2 PHE A 66 -4.108 0.237 1.995 1.00 0.00 C ATOM 1024 CZ PHE A 66 -3.409 0.466 0.797 1.00 0.00 C ATOM 0 H PHE A 66 -0.220 -2.228 6.066 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.038 0.177 4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.643 -2.038 3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.148 -2.010 4.663 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.323 -0.620 1.767 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.024 -0.628 3.971 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.511 0.293 -0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.140 0.543 2.083 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.918 0.899 -0.051 1.00 0.00 H new ATOM 1034 N GLN A 67 -2.358 0.304 6.961 1.00 0.00 N ATOM 1035 CA GLN A 67 -3.154 1.326 7.640 1.00 0.00 C ATOM 1036 C GLN A 67 -2.419 2.672 7.729 1.00 0.00 C ATOM 1037 O GLN A 67 -3.044 3.726 7.631 1.00 0.00 O ATOM 1038 CB GLN A 67 -3.697 0.844 8.997 1.00 0.00 C ATOM 1039 CG GLN A 67 -4.384 -0.517 8.935 1.00 0.00 C ATOM 1040 CD GLN A 67 -5.480 -0.507 7.889 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -6.610 -0.108 8.171 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -5.141 -0.931 6.678 1.00 0.00 N ATOM 0 H GLN A 67 -2.251 -0.568 7.479 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.031 1.504 7.018 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.874 0.794 9.710 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.404 1.581 9.378 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.653 -1.290 8.698 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.805 -0.764 9.910 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.190 -1.251 6.498 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.832 -0.936 5.928 1.00 0.00 H new ATOM 1051 N VAL A 68 -1.089 2.660 7.840 1.00 0.00 N ATOM 1052 CA VAL A 68 -0.279 3.868 7.751 1.00 0.00 C ATOM 1053 C VAL A 68 -0.405 4.510 6.357 1.00 0.00 C ATOM 1054 O VAL A 68 -0.365 5.731 6.243 1.00 0.00 O ATOM 1055 CB VAL A 68 1.176 3.572 8.160 1.00 0.00 C ATOM 1056 CG1 VAL A 68 2.025 4.850 8.169 1.00 0.00 C ATOM 1057 CG2 VAL A 68 1.235 2.961 9.569 1.00 0.00 C ATOM 0 H VAL A 68 -0.547 1.810 7.994 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.655 4.607 8.459 1.00 0.00 H new ATOM 0 HB VAL A 68 1.571 2.870 7.425 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.046 4.606 8.462 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.029 5.291 7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.604 5.562 8.879 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.273 2.761 9.836 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.804 3.659 10.287 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.670 2.029 9.585 1.00 0.00 H new ATOM 1067 N LEU A 69 -0.615 3.737 5.286 1.00 0.00 N ATOM 1068 CA LEU A 69 -0.952 4.319 3.995 1.00 0.00 C ATOM 1069 C LEU A 69 -2.395 4.813 3.979 1.00 0.00 C ATOM 1070 O LEU A 69 -2.650 5.900 3.472 1.00 0.00 O ATOM 1071 CB LEU A 69 -0.738 3.370 2.816 1.00 0.00 C ATOM 1072 CG LEU A 69 -0.756 4.225 1.531 1.00 0.00 C ATOM 1073 CD1 LEU A 69 0.590 4.163 0.816 1.00 0.00 C ATOM 1074 CD2 LEU A 69 -1.924 3.834 0.632 1.00 0.00 C ATOM 0 H LEU A 69 -0.557 2.719 5.292 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.263 5.154 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.211 2.843 2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.521 2.613 2.785 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.913 5.268 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.551 4.774 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.371 4.541 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.811 3.130 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.914 4.451 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.832 2.784 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.862 3.987 1.167 1.00 0.00 H new ATOM 1086 N VAL A 70 -3.346 4.046 4.527 1.00 0.00 N ATOM 1087 CA VAL A 70 -4.719 4.537 4.680 1.00 0.00 C ATOM 1088 C VAL A 70 -4.708 5.899 5.391 1.00 0.00 C ATOM 1089 O VAL A 70 -5.520 6.777 5.094 1.00 0.00 O ATOM 1090 CB VAL A 70 -5.625 3.513 5.390 1.00 0.00 C ATOM 1091 CG1 VAL A 70 -7.064 4.037 5.479 1.00 0.00 C ATOM 1092 CG2 VAL A 70 -5.642 2.176 4.642 1.00 0.00 C ATOM 0 H VAL A 70 -3.193 3.097 4.867 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.150 4.674 3.688 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.220 3.363 6.391 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.689 3.300 5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.077 4.970 6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.450 4.213 4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.290 1.474 5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.018 2.330 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.631 1.772 4.596 1.00 0.00 H new ATOM 1102 N LYS A 71 -3.763 6.086 6.315 1.00 0.00 N ATOM 1103 CA LYS A 71 -3.407 7.387 6.851 1.00 0.00 C ATOM 1104 C LYS A 71 -2.895 8.296 5.720 1.00 0.00 C ATOM 1105 O LYS A 71 -3.493 9.328 5.416 1.00 0.00 O ATOM 1106 CB LYS A 71 -2.353 7.202 7.960 1.00 0.00 C ATOM 1107 CG LYS A 71 -2.537 8.155 9.138 1.00 0.00 C ATOM 1108 CD LYS A 71 -3.408 7.606 10.284 1.00 0.00 C ATOM 1109 CE LYS A 71 -2.914 6.245 10.817 1.00 0.00 C ATOM 1110 NZ LYS A 71 -3.184 6.054 12.259 1.00 0.00 N ATOM 0 H LYS A 71 -3.219 5.321 6.714 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.282 7.870 7.287 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.395 6.175 8.323 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.360 7.349 7.535 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.555 8.411 9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.983 9.080 8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.421 8.327 11.101 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.435 7.502 9.935 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.395 5.445 10.254 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.842 6.160 10.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.830 5.123 12.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.704 6.799 12.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.208 6.106 12.430 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.758 7.930 5.120 1.00 0.00 N ATOM 1125 CA LYS A 72 -0.889 8.776 4.301 1.00 0.00 C ATOM 1126 C LYS A 72 -1.424 9.169 2.930 1.00 0.00 C ATOM 1127 O LYS A 72 -0.963 10.154 2.347 1.00 0.00 O ATOM 1128 CB LYS A 72 0.540 8.256 4.364 1.00 0.00 C ATOM 1129 CG LYS A 72 1.581 9.194 3.743 1.00 0.00 C ATOM 1130 CD LYS A 72 2.827 9.258 4.635 1.00 0.00 C ATOM 1131 CE LYS A 72 4.012 9.743 3.783 1.00 0.00 C ATOM 1132 NZ LYS A 72 5.233 9.948 4.583 1.00 0.00 N ATOM 0 H LYS A 72 -1.400 6.978 5.199 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.880 9.769 4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.804 8.079 5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.587 7.293 3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.853 8.841 2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.158 10.191 3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.659 9.936 5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.041 8.276 5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.214 9.014 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.743 10.677 3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.052 10.041 3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.135 10.814 5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.375 9.134 5.214 1.00 0.00 H new ATOM 1146 N ILE A 73 -2.474 8.493 2.472 1.00 0.00 N ATOM 1147 CA ILE A 73 -3.255 9.013 1.356 1.00 0.00 C ATOM 1148 C ILE A 73 -3.786 10.402 1.734 1.00 0.00 C ATOM 1149 O ILE A 73 -3.806 11.290 0.883 1.00 0.00 O ATOM 1150 CB ILE A 73 -4.410 8.078 0.957 1.00 0.00 C ATOM 1151 CG1 ILE A 73 -5.246 7.617 2.159 1.00 0.00 C ATOM 1152 CG2 ILE A 73 -3.857 6.874 0.185 1.00 0.00 C ATOM 1153 CD1 ILE A 73 -6.667 7.215 1.764 1.00 0.00 C ATOM 0 H ILE A 73 -2.798 7.602 2.848 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.605 9.081 0.484 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.084 8.646 0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.752 6.771 2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.290 8.419 2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.678 6.214 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.347 7.221 -0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.153 6.330 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.215 6.897 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.173 8.067 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.627 6.394 1.049 1.00 0.00 H new ATOM 1165 N SER A 74 -4.127 10.624 3.011 1.00 0.00 N ATOM 1166 CA SER A 74 -4.367 11.957 3.518 1.00 0.00 C ATOM 1167 C SER A 74 -3.009 12.480 3.990 1.00 0.00 C ATOM 1168 O SER A 74 -2.454 13.379 3.362 1.00 0.00 O ATOM 1169 CB SER A 74 -5.451 11.915 4.602 1.00 0.00 C ATOM 1170 OG SER A 74 -6.543 11.145 4.130 1.00 0.00 O ATOM 0 H SER A 74 -4.240 9.885 3.705 1.00 0.00 H new ATOM 0 HA SER A 74 -4.759 12.643 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.051 11.480 5.518 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.780 12.925 4.846 1.00 0.00 H new ATOM 0 HG SER A 74 -7.241 11.111 4.817 1.00 0.00 H new ATOM 1176 N GLN A 75 -2.427 11.853 5.020 1.00 0.00 N ATOM 1177 CA GLN A 75 -1.206 12.290 5.703 1.00 0.00 C ATOM 1178 C GLN A 75 -0.127 12.715 4.704 1.00 0.00 C ATOM 1179 O GLN A 75 1.073 12.505 4.892 1.00 0.00 O ATOM 1180 CB GLN A 75 -0.732 11.200 6.694 1.00 0.00 C ATOM 1181 CG GLN A 75 -0.575 11.715 8.123 1.00 0.00 C ATOM 1182 CD GLN A 75 -1.888 11.618 8.913 1.00 0.00 C ATOM 1183 OE1 GLN A 75 -1.879 11.203 10.073 1.00 0.00 O ATOM 1184 NE2 GLN A 75 -3.031 11.926 8.294 1.00 0.00 N ATOM 0 H GLN A 75 -2.810 10.994 5.415 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.425 13.181 6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.446 10.377 6.688 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.222 10.797 6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.199 11.141 8.633 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.240 12.752 8.101 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.015 12.268 7.333 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.920 11.819 8.782 1.00 0.00 H new