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 29 LYS NZ :NH3+ 156:sc= 0.593 (180deg=0) USER MOD Set 1.2: A 33 GLN : amide:sc= 0.521 K(o=1.1,f=-0.33) USER MOD Set 2.1: A 21 ASN : amide:sc= 1.08 K(o=3.1,f=1.9) USER MOD Set 2.2: A 22 GLN : amide:sc= 2.04 K(o=3.1,f=1.9) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.013) USER MOD Single : A 13 TYR OH : rot 16:sc= 0.965 USER MOD Single : A 16 LYS NZ :NH3+ 146:sc= 0.93 (180deg=0.306) USER MOD Single : A 24 SER OG : rot -152:sc= 1.33 USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00988) USER MOD Single : A 34 THR OG1 : rot 78:sc= 1.05 USER MOD Single : A 45 THR OG1 : rot -74:sc= 1.13 USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= 0.0679 (180deg=-0.364) USER MOD Single : A 56 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.041) USER MOD Single : A 62 SER OG : rot -82:sc= 0.379 USER MOD Single : A 67 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.6) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0615) USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= -0.0418 (180deg=-0.341) USER MOD Single : A 74 SER OG : rot -44:sc= 0.674 USER MOD Single : A 75 GLN : amide:sc= 0.741 K(o=0.74,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 3 -12.774 1.949 -5.833 1.00 0.00 N ATOM 37 CA PRO A 3 -11.471 2.220 -5.240 1.00 0.00 C ATOM 38 C PRO A 3 -11.568 2.958 -3.902 1.00 0.00 C ATOM 39 O PRO A 3 -10.618 2.922 -3.125 1.00 0.00 O ATOM 40 CB PRO A 3 -10.695 3.039 -6.276 1.00 0.00 C ATOM 41 CG PRO A 3 -11.326 2.597 -7.593 1.00 0.00 C ATOM 42 CD PRO A 3 -12.795 2.441 -7.202 1.00 0.00 C ATOM 0 HA PRO A 3 -10.963 1.285 -5.004 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.808 4.111 -6.112 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.627 2.823 -6.246 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.189 3.338 -8.380 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.899 1.663 -7.957 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.324 3.391 -7.271 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.307 1.742 -7.864 1.00 0.00 H new ATOM 50 N GLU A 4 -12.704 3.611 -3.612 1.00 0.00 N ATOM 51 CA GLU A 4 -12.951 4.296 -2.353 1.00 0.00 C ATOM 52 C GLU A 4 -12.600 3.378 -1.176 1.00 0.00 C ATOM 53 O GLU A 4 -12.060 3.842 -0.175 1.00 0.00 O ATOM 54 CB GLU A 4 -14.420 4.737 -2.309 1.00 0.00 C ATOM 55 CG GLU A 4 -14.733 5.594 -1.075 1.00 0.00 C ATOM 56 CD GLU A 4 -16.186 6.056 -1.089 1.00 0.00 C ATOM 57 OE1 GLU A 4 -17.029 5.294 -0.568 1.00 0.00 O ATOM 58 OE2 GLU A 4 -16.427 7.153 -1.637 1.00 0.00 O ATOM 0 H GLU A 4 -13.486 3.673 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.319 5.181 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.655 5.303 -3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.062 3.856 -2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.538 5.020 -0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.072 6.460 -1.051 1.00 0.00 H new ATOM 65 N GLU A 5 -12.884 2.075 -1.288 1.00 0.00 N ATOM 66 CA GLU A 5 -12.556 1.127 -0.231 1.00 0.00 C ATOM 67 C GLU A 5 -11.052 1.157 0.036 1.00 0.00 C ATOM 68 O GLU A 5 -10.591 1.330 1.161 1.00 0.00 O ATOM 69 CB GLU A 5 -12.934 -0.301 -0.644 1.00 0.00 C ATOM 70 CG GLU A 5 -14.422 -0.466 -0.931 1.00 0.00 C ATOM 71 CD GLU A 5 -14.742 -1.930 -1.213 1.00 0.00 C ATOM 72 OE1 GLU A 5 -14.273 -2.419 -2.263 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.445 -2.534 -0.374 1.00 0.00 O ATOM 0 H GLU A 5 -13.339 1.659 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.114 1.411 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.366 -0.579 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.644 -0.991 0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.006 -0.116 -0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.706 0.148 -1.786 1.00 0.00 H new ATOM 80 N LEU A 6 -10.291 0.984 -1.042 1.00 0.00 N ATOM 81 CA LEU A 6 -8.841 0.921 -1.016 1.00 0.00 C ATOM 82 C LEU A 6 -8.281 2.259 -0.545 1.00 0.00 C ATOM 83 O LEU A 6 -7.292 2.298 0.176 1.00 0.00 O ATOM 84 CB LEU A 6 -8.307 0.506 -2.393 1.00 0.00 C ATOM 85 CG LEU A 6 -8.838 -0.871 -2.843 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.388 -1.124 -4.282 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.318 -2.011 -1.963 1.00 0.00 C ATOM 0 H LEU A 6 -10.680 0.882 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.510 0.162 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.588 1.258 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.218 0.480 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.925 -0.851 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.757 -2.095 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.787 -0.344 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.299 -1.114 -4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.720 -2.959 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.229 -2.038 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.634 -1.848 -0.933 1.00 0.00 H new ATOM 99 N LYS A 7 -8.922 3.357 -0.938 1.00 0.00 N ATOM 100 CA LYS A 7 -8.553 4.695 -0.516 1.00 0.00 C ATOM 101 C LYS A 7 -8.740 4.821 0.999 1.00 0.00 C ATOM 102 O LYS A 7 -7.856 5.314 1.697 1.00 0.00 O ATOM 103 CB LYS A 7 -9.398 5.706 -1.299 1.00 0.00 C ATOM 104 CG LYS A 7 -8.779 7.108 -1.253 1.00 0.00 C ATOM 105 CD LYS A 7 -9.609 8.082 -2.095 1.00 0.00 C ATOM 106 CE LYS A 7 -8.974 9.475 -2.071 1.00 0.00 C ATOM 107 NZ LYS A 7 -9.763 10.438 -2.858 1.00 0.00 N ATOM 0 H LYS A 7 -9.724 3.336 -1.568 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.503 4.899 -0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.489 5.381 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.406 5.738 -0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.730 7.458 -0.222 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.756 7.074 -1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.675 7.722 -3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.627 8.132 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.895 9.823 -1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.960 9.422 -2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.307 11.372 -2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.818 10.117 -3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.723 10.506 -2.463 1.00 0.00 H new ATOM 121 N GLY A 8 -9.885 4.362 1.507 1.00 0.00 N ATOM 122 CA GLY A 8 -10.202 4.404 2.924 1.00 0.00 C ATOM 123 C GLY A 8 -9.168 3.596 3.698 1.00 0.00 C ATOM 124 O GLY A 8 -8.589 4.079 4.665 1.00 0.00 O ATOM 0 H GLY A 8 -10.621 3.948 0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.211 5.436 3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.199 4.000 3.097 1.00 0.00 H new ATOM 128 N ILE A 9 -8.929 2.361 3.260 1.00 0.00 N ATOM 129 CA ILE A 9 -7.962 1.455 3.863 1.00 0.00 C ATOM 130 C ILE A 9 -6.568 2.097 3.843 1.00 0.00 C ATOM 131 O ILE A 9 -5.889 2.153 4.867 1.00 0.00 O ATOM 132 CB ILE A 9 -8.031 0.110 3.118 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.394 -0.576 3.340 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.863 -0.815 3.479 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.509 -1.346 4.659 1.00 0.00 C ATOM 0 H ILE A 9 -9.414 1.957 2.459 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.191 1.263 4.911 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.936 0.325 2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.178 0.181 3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.579 -1.264 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.956 -1.751 2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.922 -0.332 3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.879 -1.021 4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.499 -1.796 4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.751 -2.129 4.691 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.359 -0.662 5.494 1.00 0.00 H new ATOM 147 N PHE A 10 -6.139 2.592 2.680 1.00 0.00 N ATOM 148 CA PHE A 10 -4.858 3.265 2.516 1.00 0.00 C ATOM 149 C PHE A 10 -4.745 4.369 3.563 1.00 0.00 C ATOM 150 O PHE A 10 -3.777 4.407 4.314 1.00 0.00 O ATOM 151 CB PHE A 10 -4.743 3.852 1.102 1.00 0.00 C ATOM 152 CG PHE A 10 -3.549 4.763 0.898 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.618 6.089 1.369 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.300 4.242 0.510 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.455 6.712 1.840 1.00 0.00 C ATOM 156 CE2 PHE A 10 -1.140 5.001 0.730 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.208 6.157 1.524 1.00 0.00 C ATOM 0 H PHE A 10 -6.681 2.534 1.818 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.047 2.550 2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.686 3.033 0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.653 4.409 0.878 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.558 6.620 1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.235 3.268 0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.519 7.608 2.439 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.201 4.698 0.291 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.302 6.617 1.890 1.00 0.00 H new ATOM 167 N GLU A 11 -5.735 5.267 3.611 1.00 0.00 N ATOM 168 CA GLU A 11 -5.751 6.381 4.545 1.00 0.00 C ATOM 169 C GLU A 11 -5.669 5.866 5.983 1.00 0.00 C ATOM 170 O GLU A 11 -4.881 6.369 6.779 1.00 0.00 O ATOM 171 CB GLU A 11 -7.001 7.236 4.298 1.00 0.00 C ATOM 172 CG GLU A 11 -6.945 8.555 5.077 1.00 0.00 C ATOM 173 CD GLU A 11 -8.160 9.421 4.767 1.00 0.00 C ATOM 174 OE1 GLU A 11 -9.173 9.253 5.481 1.00 0.00 O ATOM 175 OE2 GLU A 11 -8.060 10.224 3.815 1.00 0.00 O ATOM 0 H GLU A 11 -6.549 5.235 2.997 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.879 7.015 4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.094 7.446 3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.889 6.677 4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.904 8.349 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.033 9.095 4.821 1.00 0.00 H new ATOM 182 N LYS A 12 -6.482 4.859 6.313 1.00 0.00 N ATOM 183 CA LYS A 12 -6.521 4.250 7.633 1.00 0.00 C ATOM 184 C LYS A 12 -5.113 3.835 8.054 1.00 0.00 C ATOM 185 O LYS A 12 -4.672 4.199 9.140 1.00 0.00 O ATOM 186 CB LYS A 12 -7.482 3.051 7.646 1.00 0.00 C ATOM 187 CG LYS A 12 -7.751 2.541 9.071 1.00 0.00 C ATOM 188 CD LYS A 12 -8.342 1.122 9.067 1.00 0.00 C ATOM 189 CE LYS A 12 -9.606 0.985 8.210 1.00 0.00 C ATOM 190 NZ LYS A 12 -10.668 1.910 8.642 1.00 0.00 N ATOM 0 H LYS A 12 -7.140 4.441 5.655 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.894 4.980 8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.425 3.338 7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.062 2.244 7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.822 2.546 9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.438 3.220 9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.588 0.425 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.575 0.832 10.092 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.359 1.179 7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.973 -0.040 8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.532 1.727 8.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.863 1.766 9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.359 2.891 8.485 1.00 0.00 H new ATOM 204 N TYR A 13 -4.399 3.079 7.213 1.00 0.00 N ATOM 205 CA TYR A 13 -3.055 2.670 7.579 1.00 0.00 C ATOM 206 C TYR A 13 -2.107 3.867 7.568 1.00 0.00 C ATOM 207 O TYR A 13 -1.364 4.048 8.527 1.00 0.00 O ATOM 208 CB TYR A 13 -2.599 1.459 6.769 1.00 0.00 C ATOM 209 CG TYR A 13 -3.170 0.178 7.347 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.521 -0.136 7.118 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.379 -0.681 8.137 1.00 0.00 C ATOM 212 CE1 TYR A 13 -5.093 -1.272 7.705 1.00 0.00 C ATOM 213 CE2 TYR A 13 -2.985 -1.757 8.807 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.336 -2.065 8.580 1.00 0.00 C ATOM 215 OH TYR A 13 -4.901 -3.138 9.201 1.00 0.00 O ATOM 0 H TYR A 13 -4.723 2.750 6.303 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.047 2.315 8.609 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.917 1.569 5.732 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.510 1.408 6.765 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.121 0.502 6.486 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.316 -0.513 8.226 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.116 -1.537 7.484 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.408 -2.351 9.501 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.740 -3.372 8.751 1.00 0.00 H new ATOM 225 N ALA A 14 -2.127 4.711 6.532 1.00 0.00 N ATOM 226 CA ALA A 14 -1.260 5.884 6.497 1.00 0.00 C ATOM 227 C ALA A 14 -1.361 6.694 7.796 1.00 0.00 C ATOM 228 O ALA A 14 -0.353 7.117 8.353 1.00 0.00 O ATOM 229 CB ALA A 14 -1.618 6.743 5.287 1.00 0.00 C ATOM 0 H ALA A 14 -2.729 4.603 5.716 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.226 5.552 6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.971 7.620 5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.481 6.162 4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.658 7.061 5.362 1.00 0.00 H new ATOM 235 N ALA A 15 -2.580 6.888 8.304 1.00 0.00 N ATOM 236 CA ALA A 15 -2.847 7.655 9.511 1.00 0.00 C ATOM 237 C ALA A 15 -1.971 7.240 10.696 1.00 0.00 C ATOM 238 O ALA A 15 -1.630 8.091 11.513 1.00 0.00 O ATOM 239 CB ALA A 15 -4.331 7.573 9.871 1.00 0.00 C ATOM 0 H ALA A 15 -3.423 6.506 7.875 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.586 8.690 9.292 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.518 8.151 10.776 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.927 7.977 9.053 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.607 6.532 10.041 1.00 0.00 H new ATOM 245 N LYS A 16 -1.583 5.965 10.810 1.00 0.00 N ATOM 246 CA LYS A 16 -0.747 5.506 11.911 1.00 0.00 C ATOM 247 C LYS A 16 0.569 6.295 11.943 1.00 0.00 C ATOM 248 O LYS A 16 1.065 6.643 13.011 1.00 0.00 O ATOM 249 CB LYS A 16 -0.482 4.005 11.761 1.00 0.00 C ATOM 250 CG LYS A 16 -1.112 3.150 12.862 1.00 0.00 C ATOM 251 CD LYS A 16 -2.642 3.024 12.782 1.00 0.00 C ATOM 252 CE LYS A 16 -3.146 2.381 11.482 1.00 0.00 C ATOM 253 NZ LYS A 16 -2.469 1.109 11.171 1.00 0.00 N ATOM 0 H LYS A 16 -1.839 5.234 10.147 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.264 5.677 12.855 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.863 3.674 10.795 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.595 3.835 11.754 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.676 2.152 12.822 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.846 3.575 13.830 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.993 2.433 13.628 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.084 4.015 12.881 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.219 2.206 11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.997 3.077 10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.139 0.464 10.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.665 1.290 10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.124 0.675 12.051 1.00 0.00 H new ATOM 267 N GLU A 17 1.128 6.589 10.767 1.00 0.00 N ATOM 268 CA GLU A 17 2.354 7.365 10.624 1.00 0.00 C ATOM 269 C GLU A 17 2.141 8.858 10.909 1.00 0.00 C ATOM 270 O GLU A 17 3.089 9.640 10.906 1.00 0.00 O ATOM 271 CB GLU A 17 2.839 7.229 9.182 1.00 0.00 C ATOM 272 CG GLU A 17 3.491 5.869 8.909 1.00 0.00 C ATOM 273 CD GLU A 17 4.817 5.689 9.644 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.559 6.689 9.750 1.00 0.00 O ATOM 275 OE2 GLU A 17 5.095 4.537 10.039 1.00 0.00 O ATOM 0 H GLU A 17 0.733 6.288 9.876 1.00 0.00 H new ATOM 0 HA GLU A 17 3.076 6.981 11.344 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.997 7.367 8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.555 8.022 8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.805 5.076 9.208 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.657 5.760 7.837 1.00 0.00 H new ATOM 282 N GLY A 18 0.900 9.274 11.114 1.00 0.00 N ATOM 283 CA GLY A 18 0.518 10.649 11.370 1.00 0.00 C ATOM 284 C GLY A 18 0.165 11.267 10.028 1.00 0.00 C ATOM 285 O GLY A 18 -0.947 11.745 9.832 1.00 0.00 O ATOM 0 H GLY A 18 0.104 8.637 11.106 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.332 10.693 12.051 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.334 11.195 11.843 1.00 0.00 H new ATOM 289 N ASP A 19 1.115 11.236 9.092 1.00 0.00 N ATOM 290 CA ASP A 19 0.911 11.730 7.738 1.00 0.00 C ATOM 291 C ASP A 19 -0.169 10.854 7.081 1.00 0.00 C ATOM 292 O ASP A 19 0.070 9.667 6.889 1.00 0.00 O ATOM 293 CB ASP A 19 2.237 11.654 6.969 1.00 0.00 C ATOM 294 CG ASP A 19 2.108 12.226 5.562 1.00 0.00 C ATOM 295 OD1 ASP A 19 1.306 11.657 4.789 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.804 13.226 5.284 1.00 0.00 O ATOM 0 H ASP A 19 2.051 10.865 9.257 1.00 0.00 H new ATOM 0 HA ASP A 19 0.584 12.770 7.736 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.006 12.201 7.515 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.565 10.616 6.911 1.00 0.00 H new ATOM 301 N PRO A 20 -1.350 11.389 6.733 1.00 0.00 N ATOM 302 CA PRO A 20 -2.433 10.589 6.177 1.00 0.00 C ATOM 303 C PRO A 20 -2.238 10.255 4.694 1.00 0.00 C ATOM 304 O PRO A 20 -2.992 9.450 4.154 1.00 0.00 O ATOM 305 CB PRO A 20 -3.682 11.450 6.370 1.00 0.00 C ATOM 306 CG PRO A 20 -3.139 12.870 6.215 1.00 0.00 C ATOM 307 CD PRO A 20 -1.766 12.777 6.880 1.00 0.00 C ATOM 0 HA PRO A 20 -2.491 9.621 6.675 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.447 11.226 5.627 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.134 11.294 7.350 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.063 13.163 5.168 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.778 13.604 6.706 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.054 13.452 6.404 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.820 13.060 7.931 1.00 0.00 H new ATOM 315 N ASN A 21 -1.258 10.863 4.019 1.00 0.00 N ATOM 316 CA ASN A 21 -1.022 10.665 2.601 1.00 0.00 C ATOM 317 C ASN A 21 0.003 9.566 2.326 1.00 0.00 C ATOM 318 O ASN A 21 -0.079 8.946 1.269 1.00 0.00 O ATOM 319 CB ASN A 21 -0.583 11.995 1.982 1.00 0.00 C ATOM 320 CG ASN A 21 -0.166 11.809 0.530 1.00 0.00 C ATOM 321 OD1 ASN A 21 -0.987 11.605 -0.353 1.00 0.00 O ATOM 322 ND2 ASN A 21 1.125 11.873 0.252 1.00 0.00 N ATOM 0 H ASN A 21 -0.603 11.513 4.454 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.952 10.331 2.141 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.400 12.715 2.040 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.248 12.409 2.553 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.447 11.752 -0.708 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.799 12.044 0.998 1.00 0.00 H new ATOM 329 N GLN A 22 0.960 9.322 3.233 1.00 0.00 N ATOM 330 CA GLN A 22 1.999 8.315 3.028 1.00 0.00 C ATOM 331 C GLN A 22 1.894 7.050 3.892 1.00 0.00 C ATOM 332 O GLN A 22 1.575 7.106 5.074 1.00 0.00 O ATOM 333 CB GLN A 22 3.402 8.891 3.256 1.00 0.00 C ATOM 334 CG GLN A 22 3.945 9.832 2.172 1.00 0.00 C ATOM 335 CD GLN A 22 3.914 11.267 2.668 1.00 0.00 C ATOM 336 OE1 GLN A 22 3.075 12.061 2.264 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.831 11.623 3.553 1.00 0.00 N ATOM 0 H GLN A 22 1.032 9.816 4.122 1.00 0.00 H new ATOM 0 HA GLN A 22 1.834 8.022 1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.399 9.429 4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.098 8.059 3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.965 9.550 1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.348 9.739 1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.520 10.943 3.875 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.849 12.577 3.913 1.00 0.00 H new ATOM 346 N LEU A 23 2.232 5.911 3.280 1.00 0.00 N ATOM 347 CA LEU A 23 2.344 4.588 3.887 1.00 0.00 C ATOM 348 C LEU A 23 3.834 4.277 4.038 1.00 0.00 C ATOM 349 O LEU A 23 4.493 4.005 3.040 1.00 0.00 O ATOM 350 CB LEU A 23 1.784 3.533 2.925 1.00 0.00 C ATOM 351 CG LEU A 23 0.297 3.228 3.052 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.074 2.211 1.963 1.00 0.00 C ATOM 353 CD2 LEU A 23 -0.125 2.627 4.389 1.00 0.00 C ATOM 0 H LEU A 23 2.448 5.891 2.283 1.00 0.00 H new ATOM 0 HA LEU A 23 1.809 4.573 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.980 3.862 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.338 2.606 3.073 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.215 4.186 2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.136 1.975 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.141 2.634 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.510 1.301 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.200 2.445 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.401 1.686 4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.121 3.320 5.193 1.00 0.00 H new ATOM 365 N SER A 24 4.401 4.291 5.241 1.00 0.00 N ATOM 366 CA SER A 24 5.819 3.963 5.391 1.00 0.00 C ATOM 367 C SER A 24 6.035 2.489 5.036 1.00 0.00 C ATOM 368 O SER A 24 5.075 1.734 4.931 1.00 0.00 O ATOM 369 CB SER A 24 6.287 4.241 6.822 1.00 0.00 C ATOM 370 OG SER A 24 5.691 3.309 7.707 1.00 0.00 O ATOM 0 H SER A 24 3.916 4.520 6.109 1.00 0.00 H new ATOM 0 HA SER A 24 6.405 4.588 4.717 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.373 4.170 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.018 5.257 7.112 1.00 0.00 H new ATOM 0 HG SER A 24 5.607 3.710 8.597 1.00 0.00 H new ATOM 376 N LYS A 25 7.285 2.055 4.867 1.00 0.00 N ATOM 377 CA LYS A 25 7.593 0.649 4.624 1.00 0.00 C ATOM 378 C LYS A 25 6.966 -0.188 5.742 1.00 0.00 C ATOM 379 O LYS A 25 6.188 -1.114 5.505 1.00 0.00 O ATOM 380 CB LYS A 25 9.120 0.506 4.514 1.00 0.00 C ATOM 381 CG LYS A 25 9.641 -0.882 4.901 1.00 0.00 C ATOM 382 CD LYS A 25 11.121 -1.049 4.543 1.00 0.00 C ATOM 383 CE LYS A 25 12.051 0.003 5.162 1.00 0.00 C ATOM 384 NZ LYS A 25 11.916 0.069 6.627 1.00 0.00 N ATOM 0 H LYS A 25 8.104 2.663 4.895 1.00 0.00 H new ATOM 0 HA LYS A 25 7.171 0.282 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.423 0.725 3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.592 1.252 5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.505 -1.037 5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.054 -1.646 4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.449 -2.038 4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.225 -1.014 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.084 -0.230 4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.828 0.980 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.609 0.743 7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.956 0.383 6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.088 -0.872 7.034 1.00 0.00 H new ATOM 398 N GLU A 26 7.309 0.175 6.975 1.00 0.00 N ATOM 399 CA GLU A 26 6.767 -0.442 8.174 1.00 0.00 C ATOM 400 C GLU A 26 5.232 -0.459 8.110 1.00 0.00 C ATOM 401 O GLU A 26 4.612 -1.489 8.360 1.00 0.00 O ATOM 402 CB GLU A 26 7.280 0.317 9.406 1.00 0.00 C ATOM 403 CG GLU A 26 6.871 -0.373 10.714 1.00 0.00 C ATOM 404 CD GLU A 26 7.469 0.339 11.923 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.693 0.181 12.122 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.697 1.037 12.616 1.00 0.00 O ATOM 0 H GLU A 26 7.981 0.917 7.168 1.00 0.00 H new ATOM 0 HA GLU A 26 7.100 -1.477 8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.366 0.392 9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.889 1.334 9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.784 -0.386 10.797 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.202 -1.411 10.700 1.00 0.00 H new ATOM 413 N GLU A 27 4.606 0.671 7.776 1.00 0.00 N ATOM 414 CA GLU A 27 3.155 0.747 7.702 1.00 0.00 C ATOM 415 C GLU A 27 2.585 -0.184 6.635 1.00 0.00 C ATOM 416 O GLU A 27 1.584 -0.864 6.867 1.00 0.00 O ATOM 417 CB GLU A 27 2.718 2.199 7.470 1.00 0.00 C ATOM 418 CG GLU A 27 1.229 2.408 7.757 1.00 0.00 C ATOM 419 CD GLU A 27 0.864 2.066 9.198 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.684 2.390 10.084 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.214 1.463 9.388 1.00 0.00 O ATOM 0 H GLU A 27 5.086 1.543 7.553 1.00 0.00 H new ATOM 0 HA GLU A 27 2.751 0.408 8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.305 2.860 8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.930 2.480 6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.964 3.446 7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.640 1.790 7.079 1.00 0.00 H new ATOM 428 N LEU A 28 3.214 -0.222 5.460 1.00 0.00 N ATOM 429 CA LEU A 28 2.773 -1.085 4.383 1.00 0.00 C ATOM 430 C LEU A 28 2.739 -2.518 4.900 1.00 0.00 C ATOM 431 O LEU A 28 1.769 -3.223 4.654 1.00 0.00 O ATOM 432 CB LEU A 28 3.709 -0.963 3.171 1.00 0.00 C ATOM 433 CG LEU A 28 3.211 -1.786 1.970 1.00 0.00 C ATOM 434 CD1 LEU A 28 1.988 -1.140 1.306 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.323 -1.986 0.940 1.00 0.00 C ATOM 0 H LEU A 28 4.035 0.341 5.237 1.00 0.00 H new ATOM 0 HA LEU A 28 1.777 -0.788 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.793 0.085 2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.708 -1.298 3.450 1.00 0.00 H new ATOM 0 HG LEU A 28 2.911 -2.761 2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.667 -1.751 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.177 -1.066 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.250 -0.143 0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.942 -2.571 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.664 -1.015 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.157 -2.515 1.402 1.00 0.00 H new ATOM 447 N LYS A 29 3.783 -2.944 5.619 1.00 0.00 N ATOM 448 CA LYS A 29 3.866 -4.309 6.127 1.00 0.00 C ATOM 449 C LYS A 29 2.566 -4.720 6.815 1.00 0.00 C ATOM 450 O LYS A 29 1.865 -5.602 6.323 1.00 0.00 O ATOM 451 CB LYS A 29 5.071 -4.481 7.057 1.00 0.00 C ATOM 452 CG LYS A 29 5.138 -5.886 7.665 1.00 0.00 C ATOM 453 CD LYS A 29 5.380 -6.951 6.587 1.00 0.00 C ATOM 454 CE LYS A 29 5.769 -8.287 7.220 1.00 0.00 C ATOM 455 NZ LYS A 29 5.806 -9.369 6.220 1.00 0.00 N ATOM 0 H LYS A 29 4.582 -2.358 5.860 1.00 0.00 H new ATOM 0 HA LYS A 29 4.012 -4.974 5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.988 -4.284 6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.018 -3.743 7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.938 -5.926 8.405 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.207 -6.102 8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.480 -7.077 5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.170 -6.619 5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.746 -8.195 7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.056 -8.540 8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.435 -10.127 6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.848 -9.749 6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.161 -8.995 5.317 1.00 0.00 H new ATOM 469 N LEU A 30 2.247 -4.096 7.951 1.00 0.00 N ATOM 470 CA LEU A 30 1.018 -4.377 8.686 1.00 0.00 C ATOM 471 C LEU A 30 -0.197 -4.392 7.750 1.00 0.00 C ATOM 472 O LEU A 30 -1.036 -5.289 7.842 1.00 0.00 O ATOM 473 CB LEU A 30 0.783 -3.428 9.876 1.00 0.00 C ATOM 474 CG LEU A 30 1.711 -2.220 10.069 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.009 -1.182 10.953 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.019 -2.621 10.756 1.00 0.00 C ATOM 0 H LEU A 30 2.834 -3.383 8.384 1.00 0.00 H new ATOM 0 HA LEU A 30 1.146 -5.372 9.111 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.236 -3.049 9.796 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.830 -4.026 10.786 1.00 0.00 H new ATOM 0 HG LEU A 30 1.939 -1.813 9.084 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.663 -0.322 11.094 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.085 -0.860 10.473 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.779 -1.625 11.922 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.651 -1.741 10.876 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.800 -3.047 11.735 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.538 -3.360 10.146 1.00 0.00 H new ATOM 488 N LEU A 31 -0.285 -3.408 6.849 1.00 0.00 N ATOM 489 CA LEU A 31 -1.363 -3.313 5.870 1.00 0.00 C ATOM 490 C LEU A 31 -1.496 -4.630 5.106 1.00 0.00 C ATOM 491 O LEU A 31 -2.561 -5.245 5.063 1.00 0.00 O ATOM 492 CB LEU A 31 -1.073 -2.172 4.877 1.00 0.00 C ATOM 493 CG LEU A 31 -2.321 -1.439 4.370 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.966 -0.501 3.218 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.431 -2.356 3.886 1.00 0.00 C ATOM 0 H LEU A 31 0.396 -2.652 6.781 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.295 -3.107 6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.412 -1.450 5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.534 -2.580 4.022 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.690 -0.892 5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.866 0.009 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.239 0.236 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.539 -1.078 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.275 -1.757 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.064 -2.968 3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.751 -3.002 4.703 1.00 0.00 H new ATOM 507 N LEU A 32 -0.397 -5.066 4.490 1.00 0.00 N ATOM 508 CA LEU A 32 -0.393 -6.288 3.706 1.00 0.00 C ATOM 509 C LEU A 32 -0.733 -7.476 4.591 1.00 0.00 C ATOM 510 O LEU A 32 -1.603 -8.268 4.254 1.00 0.00 O ATOM 511 CB LEU A 32 0.951 -6.539 3.011 1.00 0.00 C ATOM 512 CG LEU A 32 1.455 -5.383 2.142 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.660 -5.850 1.325 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.384 -4.782 1.221 1.00 0.00 C ATOM 0 H LEU A 32 0.502 -4.585 4.523 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.148 -6.168 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.701 -6.756 3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.861 -7.429 2.389 1.00 0.00 H new ATOM 0 HG LEU A 32 1.741 -4.581 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.020 -5.028 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.454 -6.172 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.366 -6.683 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.819 -3.970 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.010 -5.552 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.439 -4.397 1.823 1.00 0.00 H new ATOM 526 N GLN A 33 -0.056 -7.602 5.727 1.00 0.00 N ATOM 527 CA GLN A 33 -0.226 -8.706 6.636 1.00 0.00 C ATOM 528 C GLN A 33 -1.690 -8.865 7.048 1.00 0.00 C ATOM 529 O GLN A 33 -2.199 -9.980 7.107 1.00 0.00 O ATOM 530 CB GLN A 33 0.661 -8.405 7.839 1.00 0.00 C ATOM 531 CG GLN A 33 2.160 -8.492 7.530 1.00 0.00 C ATOM 532 CD GLN A 33 2.651 -9.921 7.349 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.992 -10.343 6.254 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.718 -10.689 8.424 1.00 0.00 N ATOM 0 H GLN A 33 0.637 -6.921 6.039 1.00 0.00 H new ATOM 0 HA GLN A 33 0.056 -9.649 6.168 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.432 -7.406 8.209 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.422 -9.104 8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.372 -7.924 6.624 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.719 -8.022 8.339 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.430 -10.323 9.331 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.058 -11.648 8.346 1.00 0.00 H new ATOM 543 N THR A 34 -2.352 -7.749 7.343 1.00 0.00 N ATOM 544 CA THR A 34 -3.728 -7.747 7.807 1.00 0.00 C ATOM 545 C THR A 34 -4.749 -7.872 6.667 1.00 0.00 C ATOM 546 O THR A 34 -5.605 -8.751 6.718 1.00 0.00 O ATOM 547 CB THR A 34 -3.951 -6.508 8.688 1.00 0.00 C ATOM 548 OG1 THR A 34 -2.883 -6.375 9.605 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.258 -6.604 9.479 1.00 0.00 C ATOM 0 H THR A 34 -1.943 -6.818 7.265 1.00 0.00 H new ATOM 0 HA THR A 34 -3.898 -8.639 8.410 1.00 0.00 H new ATOM 0 HB THR A 34 -4.003 -5.643 8.027 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.105 -5.992 9.148 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.380 -5.710 10.090 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.096 -6.689 8.788 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.229 -7.482 10.124 1.00 0.00 H new ATOM 557 N GLU A 35 -4.699 -7.001 5.651 1.00 0.00 N ATOM 558 CA GLU A 35 -5.688 -6.985 4.572 1.00 0.00 C ATOM 559 C GLU A 35 -5.296 -7.742 3.298 1.00 0.00 C ATOM 560 O GLU A 35 -6.194 -8.161 2.572 1.00 0.00 O ATOM 561 CB GLU A 35 -6.054 -5.536 4.209 1.00 0.00 C ATOM 562 CG GLU A 35 -6.928 -4.835 5.263 1.00 0.00 C ATOM 563 CD GLU A 35 -6.177 -4.408 6.520 1.00 0.00 C ATOM 564 OE1 GLU A 35 -4.957 -4.181 6.413 1.00 0.00 O ATOM 565 OE2 GLU A 35 -6.835 -4.276 7.576 1.00 0.00 O ATOM 0 H GLU A 35 -3.973 -6.291 5.556 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.543 -7.524 4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.137 -4.963 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.579 -5.532 3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.386 -3.955 4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.739 -5.505 5.549 1.00 0.00 H new ATOM 572 N PHE A 36 -4.008 -7.917 2.991 1.00 0.00 N ATOM 573 CA PHE A 36 -3.584 -8.562 1.746 1.00 0.00 C ATOM 574 C PHE A 36 -2.467 -9.591 1.949 1.00 0.00 C ATOM 575 O PHE A 36 -1.415 -9.445 1.335 1.00 0.00 O ATOM 576 CB PHE A 36 -3.108 -7.488 0.748 1.00 0.00 C ATOM 577 CG PHE A 36 -4.051 -6.333 0.479 1.00 0.00 C ATOM 578 CD1 PHE A 36 -4.012 -5.198 1.310 1.00 0.00 C ATOM 579 CD2 PHE A 36 -4.824 -6.305 -0.698 1.00 0.00 C ATOM 580 CE1 PHE A 36 -4.725 -4.041 0.958 1.00 0.00 C ATOM 581 CE2 PHE A 36 -5.517 -5.140 -1.063 1.00 0.00 C ATOM 582 CZ PHE A 36 -5.447 -3.999 -0.244 1.00 0.00 C ATOM 0 H PHE A 36 -3.238 -7.620 3.590 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.449 -9.100 1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.167 -7.078 1.114 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.894 -7.979 -0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.432 -5.217 2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.884 -7.184 -1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.718 -3.182 1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.102 -5.120 -1.970 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.949 -3.090 -0.541 1.00 0.00 H new ATOM 592 N PRO A 37 -2.644 -10.631 2.776 1.00 0.00 N ATOM 593 CA PRO A 37 -1.593 -11.611 2.991 1.00 0.00 C ATOM 594 C PRO A 37 -1.343 -12.454 1.734 1.00 0.00 C ATOM 595 O PRO A 37 -0.241 -12.468 1.193 1.00 0.00 O ATOM 596 CB PRO A 37 -2.064 -12.443 4.190 1.00 0.00 C ATOM 597 CG PRO A 37 -3.589 -12.300 4.186 1.00 0.00 C ATOM 598 CD PRO A 37 -3.818 -10.912 3.586 1.00 0.00 C ATOM 0 HA PRO A 37 -0.629 -11.147 3.197 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.764 -13.486 4.091 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.634 -12.075 5.121 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.063 -13.078 3.588 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.001 -12.375 5.192 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.724 -10.893 2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.941 -10.163 4.369 1.00 0.00 H new ATOM 702 N THR A 45 10.239 -9.905 -2.026 1.00 0.00 N ATOM 703 CA THR A 45 10.450 -9.592 -0.621 1.00 0.00 C ATOM 704 C THR A 45 9.793 -8.251 -0.293 1.00 0.00 C ATOM 705 O THR A 45 9.478 -7.466 -1.189 1.00 0.00 O ATOM 706 CB THR A 45 11.951 -9.544 -0.298 1.00 0.00 C ATOM 707 OG1 THR A 45 12.579 -8.539 -1.064 1.00 0.00 O ATOM 708 CG2 THR A 45 12.634 -10.892 -0.550 1.00 0.00 C ATOM 0 HA THR A 45 9.996 -10.373 -0.011 1.00 0.00 H new ATOM 0 HB THR A 45 12.051 -9.314 0.763 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.657 -8.837 -1.994 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.694 -10.813 -0.309 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.175 -11.656 0.078 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.520 -11.167 -1.598 1.00 0.00 H new ATOM 716 N LEU A 46 9.604 -7.983 1.002 1.00 0.00 N ATOM 717 CA LEU A 46 9.031 -6.737 1.496 1.00 0.00 C ATOM 718 C LEU A 46 9.760 -5.542 0.888 1.00 0.00 C ATOM 719 O LEU A 46 9.128 -4.584 0.464 1.00 0.00 O ATOM 720 CB LEU A 46 9.150 -6.688 3.025 1.00 0.00 C ATOM 721 CG LEU A 46 8.630 -5.379 3.653 1.00 0.00 C ATOM 722 CD1 LEU A 46 7.137 -5.159 3.372 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.888 -5.413 5.163 1.00 0.00 C ATOM 0 H LEU A 46 9.850 -8.638 1.744 1.00 0.00 H new ATOM 0 HA LEU A 46 7.980 -6.693 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.598 -7.527 3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.196 -6.822 3.302 1.00 0.00 H new ATOM 0 HG LEU A 46 9.165 -4.545 3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.814 -4.226 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.973 -5.108 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.563 -5.987 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.523 -4.491 5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.367 -6.264 5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.958 -5.509 5.347 1.00 0.00 H new ATOM 735 N ASP A 47 11.091 -5.608 0.855 1.00 0.00 N ATOM 736 CA ASP A 47 11.951 -4.561 0.347 1.00 0.00 C ATOM 737 C ASP A 47 11.653 -4.339 -1.123 1.00 0.00 C ATOM 738 O ASP A 47 11.295 -3.236 -1.495 1.00 0.00 O ATOM 739 CB ASP A 47 13.423 -4.917 0.569 1.00 0.00 C ATOM 740 CG ASP A 47 14.325 -3.861 -0.061 1.00 0.00 C ATOM 741 OD1 ASP A 47 14.449 -2.782 0.557 1.00 0.00 O ATOM 742 OD2 ASP A 47 14.858 -4.148 -1.154 1.00 0.00 O ATOM 0 H ASP A 47 11.608 -6.420 1.193 1.00 0.00 H new ATOM 0 HA ASP A 47 11.756 -3.635 0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.629 -4.991 1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.637 -5.894 0.135 1.00 0.00 H new ATOM 747 N GLU A 48 11.787 -5.371 -1.957 1.00 0.00 N ATOM 748 CA GLU A 48 11.522 -5.253 -3.386 1.00 0.00 C ATOM 749 C GLU A 48 10.128 -4.667 -3.624 1.00 0.00 C ATOM 750 O GLU A 48 9.948 -3.739 -4.411 1.00 0.00 O ATOM 751 CB GLU A 48 11.633 -6.633 -4.039 1.00 0.00 C ATOM 752 CG GLU A 48 13.067 -7.173 -3.985 1.00 0.00 C ATOM 753 CD GLU A 48 13.108 -8.639 -4.402 1.00 0.00 C ATOM 754 OE1 GLU A 48 12.502 -9.441 -3.656 1.00 0.00 O ATOM 755 OE2 GLU A 48 13.733 -8.930 -5.443 1.00 0.00 O ATOM 0 H GLU A 48 12.080 -6.303 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 48 12.257 -4.582 -3.831 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.963 -7.329 -3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.306 -6.572 -5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.707 -6.585 -4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.463 -7.066 -2.975 1.00 0.00 H new ATOM 762 N LEU A 49 9.138 -5.221 -2.929 1.00 0.00 N ATOM 763 CA LEU A 49 7.753 -4.816 -3.044 1.00 0.00 C ATOM 764 C LEU A 49 7.567 -3.344 -2.676 1.00 0.00 C ATOM 765 O LEU A 49 7.138 -2.543 -3.503 1.00 0.00 O ATOM 766 CB LEU A 49 6.917 -5.774 -2.188 1.00 0.00 C ATOM 767 CG LEU A 49 5.447 -5.374 -2.083 1.00 0.00 C ATOM 768 CD1 LEU A 49 4.783 -5.238 -3.456 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.703 -6.449 -1.286 1.00 0.00 C ATOM 0 H LEU A 49 9.286 -5.977 -2.260 1.00 0.00 H new ATOM 0 HA LEU A 49 7.412 -4.884 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.983 -6.777 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.345 -5.821 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 49 5.399 -4.403 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.739 -4.952 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.300 -4.474 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.837 -6.191 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.651 -6.177 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.791 -7.407 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.137 -6.529 -0.289 1.00 0.00 H new ATOM 781 N PHE A 50 7.897 -2.976 -1.438 1.00 0.00 N ATOM 782 CA PHE A 50 7.800 -1.617 -0.955 1.00 0.00 C ATOM 783 C PHE A 50 8.634 -0.709 -1.855 1.00 0.00 C ATOM 784 O PHE A 50 8.236 0.420 -2.090 1.00 0.00 O ATOM 785 CB PHE A 50 8.278 -1.563 0.499 1.00 0.00 C ATOM 786 CG PHE A 50 8.697 -0.182 0.933 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.744 0.784 1.297 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.040 0.183 0.758 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.165 2.091 1.604 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.454 1.499 1.021 1.00 0.00 C ATOM 791 CZ PHE A 50 9.518 2.446 1.473 1.00 0.00 C ATOM 0 H PHE A 50 8.244 -3.632 -0.738 1.00 0.00 H new ATOM 0 HA PHE A 50 6.767 -1.271 -0.984 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.479 -1.915 1.151 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.117 -2.247 0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.696 0.525 1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.758 -0.550 0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.446 2.823 1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.486 1.782 0.877 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.839 3.447 1.720 1.00 0.00 H new ATOM 801 N GLU A 51 9.773 -1.177 -2.367 1.00 0.00 N ATOM 802 CA GLU A 51 10.595 -0.350 -3.246 1.00 0.00 C ATOM 803 C GLU A 51 9.870 -0.088 -4.563 1.00 0.00 C ATOM 804 O GLU A 51 9.887 1.042 -5.042 1.00 0.00 O ATOM 805 CB GLU A 51 11.982 -0.963 -3.483 1.00 0.00 C ATOM 806 CG GLU A 51 12.922 -0.772 -2.283 1.00 0.00 C ATOM 807 CD GLU A 51 13.394 0.674 -2.148 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.223 1.079 -2.991 1.00 0.00 O ATOM 809 OE2 GLU A 51 12.918 1.346 -1.209 1.00 0.00 O ATOM 0 H GLU A 51 10.142 -2.111 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 51 10.757 0.605 -2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.875 -2.028 -3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.430 -0.510 -4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.409 -1.072 -1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.787 -1.427 -2.393 1.00 0.00 H new ATOM 816 N GLU A 52 9.221 -1.099 -5.149 1.00 0.00 N ATOM 817 CA GLU A 52 8.472 -0.891 -6.383 1.00 0.00 C ATOM 818 C GLU A 52 7.391 0.141 -6.084 1.00 0.00 C ATOM 819 O GLU A 52 7.179 1.093 -6.827 1.00 0.00 O ATOM 820 CB GLU A 52 7.845 -2.215 -6.849 1.00 0.00 C ATOM 821 CG GLU A 52 6.717 -2.017 -7.879 1.00 0.00 C ATOM 822 CD GLU A 52 7.157 -1.248 -9.125 1.00 0.00 C ATOM 823 OE1 GLU A 52 8.289 -1.511 -9.588 1.00 0.00 O ATOM 824 OE2 GLU A 52 6.348 -0.421 -9.601 1.00 0.00 O ATOM 0 H GLU A 52 9.201 -2.054 -4.792 1.00 0.00 H new ATOM 0 HA GLU A 52 9.124 -0.538 -7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.621 -2.845 -7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.450 -2.748 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.335 -2.993 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.893 -1.484 -7.405 1.00 0.00 H new ATOM 831 N LEU A 53 6.702 -0.086 -4.973 1.00 0.00 N ATOM 832 CA LEU A 53 5.633 0.758 -4.497 1.00 0.00 C ATOM 833 C LEU A 53 6.101 2.191 -4.224 1.00 0.00 C ATOM 834 O LEU A 53 5.397 3.134 -4.569 1.00 0.00 O ATOM 835 CB LEU A 53 5.071 0.111 -3.231 1.00 0.00 C ATOM 836 CG LEU A 53 3.945 -0.875 -3.550 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.773 -1.787 -2.342 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.635 -0.128 -3.815 1.00 0.00 C ATOM 0 H LEU A 53 6.883 -0.886 -4.367 1.00 0.00 H new ATOM 0 HA LEU A 53 4.863 0.841 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.870 -0.408 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.697 0.886 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 53 4.196 -1.449 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.975 -2.504 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.704 -2.322 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.516 -1.189 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.846 -0.846 -4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.360 0.449 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.765 0.546 -4.662 1.00 0.00 H new ATOM 850 N ASP A 54 7.268 2.383 -3.607 1.00 0.00 N ATOM 851 CA ASP A 54 7.785 3.701 -3.276 1.00 0.00 C ATOM 852 C ASP A 54 8.410 4.308 -4.532 1.00 0.00 C ATOM 853 O ASP A 54 9.613 4.546 -4.587 1.00 0.00 O ATOM 854 CB ASP A 54 8.765 3.633 -2.086 1.00 0.00 C ATOM 855 CG ASP A 54 9.200 5.027 -1.615 1.00 0.00 C ATOM 856 OD1 ASP A 54 8.750 6.012 -2.238 1.00 0.00 O ATOM 857 OD2 ASP A 54 9.989 5.106 -0.646 1.00 0.00 O ATOM 0 H ASP A 54 7.881 1.619 -3.323 1.00 0.00 H new ATOM 0 HA ASP A 54 6.975 4.352 -2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.294 3.102 -1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.645 3.057 -2.374 1.00 0.00 H new ATOM 862 N LYS A 55 7.576 4.589 -5.535 1.00 0.00 N ATOM 863 CA LYS A 55 8.006 5.190 -6.793 1.00 0.00 C ATOM 864 C LYS A 55 8.588 6.583 -6.524 1.00 0.00 C ATOM 865 O LYS A 55 9.409 7.079 -7.290 1.00 0.00 O ATOM 866 CB LYS A 55 6.841 5.236 -7.793 1.00 0.00 C ATOM 867 CG LYS A 55 6.253 3.832 -7.998 1.00 0.00 C ATOM 868 CD LYS A 55 5.239 3.752 -9.147 1.00 0.00 C ATOM 869 CE LYS A 55 5.902 3.688 -10.529 1.00 0.00 C ATOM 870 NZ LYS A 55 6.724 2.473 -10.689 1.00 0.00 N ATOM 0 H LYS A 55 6.574 4.403 -5.494 1.00 0.00 H new ATOM 0 HA LYS A 55 8.789 4.578 -7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.067 5.911 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.188 5.634 -8.746 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.065 3.132 -8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.770 3.511 -7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.612 2.871 -9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.582 4.621 -9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.134 3.711 -11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.526 4.570 -10.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.817 2.248 -11.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.667 2.636 -10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.268 1.678 -10.198 1.00 0.00 H new ATOM 884 N ASN A 56 8.170 7.200 -5.418 1.00 0.00 N ATOM 885 CA ASN A 56 8.646 8.497 -4.970 1.00 0.00 C ATOM 886 C ASN A 56 10.099 8.382 -4.486 1.00 0.00 C ATOM 887 O ASN A 56 10.858 9.335 -4.608 1.00 0.00 O ATOM 888 CB ASN A 56 7.723 8.979 -3.845 1.00 0.00 C ATOM 889 CG ASN A 56 8.135 10.335 -3.290 1.00 0.00 C ATOM 890 OD1 ASN A 56 8.316 11.300 -4.018 1.00 0.00 O ATOM 891 ND2 ASN A 56 8.277 10.440 -1.980 1.00 0.00 N ATOM 0 H ASN A 56 7.471 6.794 -4.796 1.00 0.00 H new ATOM 0 HA ASN A 56 8.628 9.218 -5.787 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.701 9.039 -4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.725 8.245 -3.039 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.541 11.334 -1.566 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.123 9.627 -1.384 1.00 0.00 H new ATOM 898 N GLY A 57 10.489 7.219 -3.949 1.00 0.00 N ATOM 899 CA GLY A 57 11.834 6.928 -3.481 1.00 0.00 C ATOM 900 C GLY A 57 12.260 7.893 -2.381 1.00 0.00 C ATOM 901 O GLY A 57 13.096 8.761 -2.619 1.00 0.00 O ATOM 0 H GLY A 57 9.849 6.434 -3.828 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.878 5.905 -3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.533 6.993 -4.315 1.00 0.00 H new ATOM 905 N ASP A 58 11.701 7.748 -1.175 1.00 0.00 N ATOM 906 CA ASP A 58 12.034 8.655 -0.075 1.00 0.00 C ATOM 907 C ASP A 58 11.998 7.976 1.287 1.00 0.00 C ATOM 908 O ASP A 58 12.800 8.297 2.159 1.00 0.00 O ATOM 909 CB ASP A 58 11.107 9.883 -0.082 1.00 0.00 C ATOM 910 CG ASP A 58 9.740 9.625 0.556 1.00 0.00 C ATOM 911 OD1 ASP A 58 9.094 8.628 0.160 1.00 0.00 O ATOM 912 OD2 ASP A 58 9.355 10.434 1.424 1.00 0.00 O ATOM 0 H ASP A 58 11.025 7.021 -0.939 1.00 0.00 H new ATOM 0 HA ASP A 58 13.062 8.977 -0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.597 10.700 0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.962 10.212 -1.111 1.00 0.00 H new ATOM 917 N GLY A 59 11.061 7.053 1.479 1.00 0.00 N ATOM 918 CA GLY A 59 10.878 6.388 2.752 1.00 0.00 C ATOM 919 C GLY A 59 9.457 5.860 2.873 1.00 0.00 C ATOM 920 O GLY A 59 9.234 4.911 3.625 1.00 0.00 O ATOM 0 H GLY A 59 10.411 6.750 0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.588 5.566 2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.085 7.083 3.566 1.00 0.00 H new ATOM 924 N GLU A 60 8.488 6.448 2.153 1.00 0.00 N ATOM 925 CA GLU A 60 7.127 5.973 2.199 1.00 0.00 C ATOM 926 C GLU A 60 6.496 5.928 0.807 1.00 0.00 C ATOM 927 O GLU A 60 6.956 6.567 -0.131 1.00 0.00 O ATOM 928 CB GLU A 60 6.295 6.894 3.088 1.00 0.00 C ATOM 929 CG GLU A 60 6.924 7.374 4.405 1.00 0.00 C ATOM 930 CD GLU A 60 7.618 8.723 4.237 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.875 9.726 4.129 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.867 8.723 4.214 1.00 0.00 O ATOM 0 H GLU A 60 8.637 7.249 1.539 1.00 0.00 H new ATOM 0 HA GLU A 60 7.143 4.961 2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.029 7.774 2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.365 6.378 3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.152 7.454 5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.644 6.635 4.756 1.00 0.00 H new ATOM 939 N VAL A 61 5.403 5.182 0.728 1.00 0.00 N ATOM 940 CA VAL A 61 4.521 4.979 -0.405 1.00 0.00 C ATOM 941 C VAL A 61 3.398 5.998 -0.183 1.00 0.00 C ATOM 942 O VAL A 61 3.366 6.652 0.853 1.00 0.00 O ATOM 943 CB VAL A 61 3.987 3.526 -0.355 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.086 3.154 -1.537 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.146 2.526 -0.309 1.00 0.00 C ATOM 0 H VAL A 61 5.083 4.652 1.539 1.00 0.00 H new ATOM 0 HA VAL A 61 4.997 5.114 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 61 3.385 3.476 0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.753 2.122 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.220 3.815 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.644 3.260 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.750 1.511 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.764 2.644 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.750 2.710 0.579 1.00 0.00 H new ATOM 955 N SER A 62 2.450 6.137 -1.103 1.00 0.00 N ATOM 956 CA SER A 62 1.292 7.004 -0.961 1.00 0.00 C ATOM 957 C SER A 62 0.195 6.403 -1.825 1.00 0.00 C ATOM 958 O SER A 62 0.489 5.542 -2.656 1.00 0.00 O ATOM 959 CB SER A 62 1.591 8.459 -1.340 1.00 0.00 C ATOM 960 OG SER A 62 1.920 8.557 -2.707 1.00 0.00 O ATOM 0 H SER A 62 2.469 5.635 -1.991 1.00 0.00 H new ATOM 0 HA SER A 62 0.983 7.053 0.083 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.724 9.083 -1.123 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.415 8.837 -0.734 1.00 0.00 H new ATOM 0 HG SER A 62 2.862 8.320 -2.834 1.00 0.00 H new ATOM 966 N PHE A 63 -1.054 6.830 -1.641 1.00 0.00 N ATOM 967 CA PHE A 63 -2.173 6.320 -2.425 1.00 0.00 C ATOM 968 C PHE A 63 -1.833 6.376 -3.912 1.00 0.00 C ATOM 969 O PHE A 63 -2.020 5.394 -4.627 1.00 0.00 O ATOM 970 CB PHE A 63 -3.451 7.061 -2.056 1.00 0.00 C ATOM 971 CG PHE A 63 -4.661 6.672 -2.877 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.412 5.544 -2.502 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.978 7.360 -4.063 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.531 5.158 -3.261 1.00 0.00 C ATOM 975 CE2 PHE A 63 -6.069 6.944 -4.846 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.881 5.879 -4.414 1.00 0.00 C ATOM 0 H PHE A 63 -1.315 7.533 -0.950 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.354 5.271 -2.192 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.669 6.881 -1.003 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.280 8.132 -2.168 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.129 4.973 -1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.383 8.207 -4.372 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.122 4.306 -2.957 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.284 7.442 -5.780 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.771 5.617 -4.968 1.00 0.00 H new ATOM 986 N GLU A 64 -1.302 7.525 -4.333 1.00 0.00 N ATOM 987 CA GLU A 64 -0.863 7.837 -5.683 1.00 0.00 C ATOM 988 C GLU A 64 -0.176 6.645 -6.354 1.00 0.00 C ATOM 989 O GLU A 64 -0.626 6.113 -7.364 1.00 0.00 O ATOM 990 CB GLU A 64 0.129 9.019 -5.589 1.00 0.00 C ATOM 991 CG GLU A 64 0.334 9.678 -6.957 1.00 0.00 C ATOM 992 CD GLU A 64 1.371 10.794 -6.878 1.00 0.00 C ATOM 993 OE1 GLU A 64 2.568 10.445 -6.796 1.00 0.00 O ATOM 994 OE2 GLU A 64 0.947 11.969 -6.889 1.00 0.00 O ATOM 0 H GLU A 64 -1.161 8.308 -3.695 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.732 8.089 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.246 9.757 -4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.086 8.665 -5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.656 8.929 -7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.613 10.082 -7.315 1.00 0.00 H new ATOM 1001 N GLU A 65 0.945 6.250 -5.758 1.00 0.00 N ATOM 1002 CA GLU A 65 1.827 5.193 -6.225 1.00 0.00 C ATOM 1003 C GLU A 65 1.163 3.852 -5.954 1.00 0.00 C ATOM 1004 O GLU A 65 1.227 2.944 -6.777 1.00 0.00 O ATOM 1005 CB GLU A 65 3.220 5.279 -5.557 1.00 0.00 C ATOM 1006 CG GLU A 65 3.326 6.439 -4.563 1.00 0.00 C ATOM 1007 CD GLU A 65 4.679 6.688 -3.914 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.699 6.242 -4.474 1.00 0.00 O ATOM 1009 OE2 GLU A 65 4.650 7.363 -2.863 1.00 0.00 O ATOM 0 H GLU A 65 1.276 6.681 -4.895 1.00 0.00 H new ATOM 0 HA GLU A 65 1.992 5.307 -7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.429 4.342 -5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.982 5.395 -6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.028 7.352 -5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.599 6.269 -3.769 1.00 0.00 H new ATOM 1016 N PHE A 66 0.508 3.732 -4.796 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.180 2.505 -4.417 1.00 0.00 C ATOM 1018 C PHE A 66 -1.154 2.072 -5.514 1.00 0.00 C ATOM 1019 O PHE A 66 -1.284 0.874 -5.754 1.00 0.00 O ATOM 1020 CB PHE A 66 -0.816 2.682 -3.033 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.830 1.640 -2.608 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.477 0.280 -2.575 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.125 2.034 -2.220 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.445 -0.690 -2.268 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.075 1.069 -1.848 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.739 -0.296 -1.886 1.00 0.00 C ATOM 0 H PHE A 66 0.442 4.478 -4.104 1.00 0.00 H new ATOM 0 HA PHE A 66 0.528 1.681 -4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.017 2.700 -2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.300 3.658 -3.004 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.461 -0.019 -2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.388 3.081 -2.208 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.195 -1.739 -2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.062 1.375 -1.533 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.475 -1.041 -1.622 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.811 3.005 -6.216 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.700 2.620 -7.312 1.00 0.00 C ATOM 1038 C GLN A 67 -1.999 1.740 -8.356 1.00 0.00 C ATOM 1039 O GLN A 67 -2.627 0.864 -8.951 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.466 3.803 -7.931 1.00 0.00 C ATOM 1041 CG GLN A 67 -4.190 4.690 -6.912 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.896 3.849 -5.857 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.986 3.334 -6.067 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.274 3.688 -4.703 1.00 0.00 N ATOM 0 H GLN A 67 -1.745 4.009 -6.048 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.471 1.997 -6.859 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.766 4.417 -8.497 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.196 3.416 -8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.474 5.356 -6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.916 5.320 -7.425 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.366 4.126 -4.548 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.702 3.126 -3.967 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.692 1.937 -8.560 1.00 0.00 N ATOM 1054 CA VAL A 68 0.073 1.123 -9.492 1.00 0.00 C ATOM 1055 C VAL A 68 0.053 -0.330 -9.011 1.00 0.00 C ATOM 1056 O VAL A 68 0.013 -1.246 -9.829 1.00 0.00 O ATOM 1057 CB VAL A 68 1.501 1.671 -9.676 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.286 0.846 -10.706 1.00 0.00 C ATOM 1059 CG2 VAL A 68 1.464 3.132 -10.149 1.00 0.00 C ATOM 0 H VAL A 68 -0.146 2.657 -8.087 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.386 1.163 -10.480 1.00 0.00 H new ATOM 0 HB VAL A 68 1.997 1.606 -8.707 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.290 1.258 -10.813 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.352 -0.189 -10.369 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.774 0.882 -11.668 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.482 3.500 -10.273 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.938 3.193 -11.102 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.946 3.741 -9.409 1.00 0.00 H new ATOM 1069 N LEU A 69 0.057 -0.556 -7.693 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.025 -1.907 -7.163 1.00 0.00 C ATOM 1071 C LEU A 69 -1.482 -2.354 -7.184 1.00 0.00 C ATOM 1072 O LEU A 69 -1.738 -3.491 -7.557 1.00 0.00 O ATOM 1073 CB LEU A 69 0.561 -1.993 -5.761 1.00 0.00 C ATOM 1074 CG LEU A 69 0.522 -3.439 -5.230 1.00 0.00 C ATOM 1075 CD1 LEU A 69 1.922 -4.049 -5.200 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -0.181 -3.479 -3.879 1.00 0.00 C ATOM 0 H LEU A 69 0.116 0.176 -6.985 1.00 0.00 H new ATOM 0 HA LEU A 69 0.568 -2.575 -7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.590 -1.634 -5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.002 -1.341 -5.090 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.060 -4.060 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.866 -5.070 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.337 -4.058 -6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.564 -3.455 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.204 -4.505 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.358 -2.851 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.201 -3.110 -3.988 1.00 0.00 H new ATOM 1088 N VAL A 70 -2.438 -1.494 -6.804 1.00 0.00 N ATOM 1089 CA VAL A 70 -3.863 -1.838 -6.829 1.00 0.00 C ATOM 1090 C VAL A 70 -4.193 -2.502 -8.167 1.00 0.00 C ATOM 1091 O VAL A 70 -4.817 -3.561 -8.211 1.00 0.00 O ATOM 1092 CB VAL A 70 -4.754 -0.605 -6.604 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.230 -0.919 -6.881 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -4.612 -0.091 -5.165 1.00 0.00 C ATOM 0 H VAL A 70 -2.245 -0.548 -6.474 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.066 -2.530 -6.012 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.422 0.163 -7.303 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.830 -0.025 -6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.345 -1.243 -7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.565 -1.712 -6.213 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.250 0.782 -5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.911 -0.874 -4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.574 0.185 -4.978 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.740 -1.878 -9.255 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.927 -2.371 -10.606 1.00 0.00 C ATOM 1106 C LYS A 71 -3.497 -3.837 -10.752 1.00 0.00 C ATOM 1107 O LYS A 71 -4.104 -4.578 -11.526 1.00 0.00 O ATOM 1108 CB LYS A 71 -3.147 -1.461 -11.566 1.00 0.00 C ATOM 1109 CG LYS A 71 -3.242 -1.933 -13.020 1.00 0.00 C ATOM 1110 CD LYS A 71 -2.552 -0.929 -13.953 1.00 0.00 C ATOM 1111 CE LYS A 71 -2.719 -1.315 -15.428 1.00 0.00 C ATOM 1112 NZ LYS A 71 -2.124 -2.630 -15.730 1.00 0.00 N ATOM 0 H LYS A 71 -3.224 -0.999 -9.213 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.989 -2.345 -10.851 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.531 -0.443 -11.491 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.100 -1.430 -11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.777 -2.913 -13.122 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.288 -2.045 -13.305 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.967 0.065 -13.788 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.491 -0.876 -13.709 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.779 -1.331 -15.680 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.254 -0.555 -16.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.154 -2.797 -16.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.136 -2.647 -15.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.661 -3.375 -15.242 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.458 -4.279 -10.035 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.938 -5.607 -10.133 1.00 0.00 C ATOM 1128 C LYS A 72 -2.441 -6.499 -9.001 1.00 0.00 C ATOM 1129 O LYS A 72 -2.360 -7.720 -9.074 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.431 -5.534 -10.139 1.00 0.00 C ATOM 1131 CG LYS A 72 0.075 -4.551 -11.202 1.00 0.00 C ATOM 1132 CD LYS A 72 1.409 -5.028 -11.780 1.00 0.00 C ATOM 1133 CE LYS A 72 2.022 -3.970 -12.705 1.00 0.00 C ATOM 1134 NZ LYS A 72 2.373 -2.735 -11.976 1.00 0.00 N ATOM 0 H LYS A 72 -1.960 -3.696 -9.363 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.290 -6.059 -11.060 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.076 -5.225 -9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.018 -6.524 -10.330 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.662 -4.458 -12.000 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.195 -3.561 -10.762 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.101 -5.250 -10.968 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.258 -5.955 -12.333 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.915 -4.377 -13.180 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.317 -3.733 -13.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.044 -2.177 -12.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.513 -2.175 -11.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.809 -2.982 -11.065 1.00 0.00 H new ATOM 1148 N ILE A 73 -2.955 -5.895 -7.934 1.00 0.00 N ATOM 1149 CA ILE A 73 -3.402 -6.603 -6.752 1.00 0.00 C ATOM 1150 C ILE A 73 -4.497 -7.607 -7.106 1.00 0.00 C ATOM 1151 O ILE A 73 -4.570 -8.691 -6.542 1.00 0.00 O ATOM 1152 CB ILE A 73 -3.835 -5.564 -5.695 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -3.084 -5.742 -4.381 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -5.344 -5.431 -5.459 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -3.148 -7.165 -3.839 1.00 0.00 C ATOM 0 H ILE A 73 -3.072 -4.884 -7.871 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.593 -7.195 -6.325 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.549 -4.613 -6.144 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.041 -5.462 -4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.497 -5.059 -3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.528 -4.673 -4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.833 -5.138 -6.388 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.746 -6.387 -5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.594 -7.223 -2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.188 -7.441 -3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.709 -7.850 -4.564 1.00 0.00 H new ATOM 1167 N SER A 74 -5.336 -7.237 -8.071 1.00 0.00 N ATOM 1168 CA SER A 74 -6.401 -8.082 -8.593 1.00 0.00 C ATOM 1169 C SER A 74 -6.000 -8.596 -9.982 1.00 0.00 C ATOM 1170 O SER A 74 -6.858 -8.746 -10.850 1.00 0.00 O ATOM 1171 CB SER A 74 -7.704 -7.272 -8.614 1.00 0.00 C ATOM 1172 OG SER A 74 -8.781 -8.067 -9.064 1.00 0.00 O ATOM 0 H SER A 74 -5.291 -6.322 -8.519 1.00 0.00 H new ATOM 0 HA SER A 74 -6.563 -8.955 -7.960 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.918 -6.893 -7.615 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.589 -6.406 -9.265 1.00 0.00 H new ATOM 0 HG SER A 74 -8.500 -8.586 -9.846 1.00 0.00 H new ATOM 1178 N GLN A 75 -4.704 -8.845 -10.201 1.00 0.00 N ATOM 1179 CA GLN A 75 -4.125 -9.283 -11.465 1.00 0.00 C ATOM 1180 C GLN A 75 -3.386 -10.604 -11.279 1.00 0.00 C ATOM 1181 O GLN A 75 -2.603 -10.756 -10.342 1.00 0.00 O ATOM 1182 CB GLN A 75 -3.188 -8.157 -11.922 1.00 0.00 C ATOM 1183 CG GLN A 75 -3.047 -7.958 -13.433 1.00 0.00 C ATOM 1184 CD GLN A 75 -4.343 -7.449 -14.063 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -4.814 -7.991 -15.052 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -4.954 -6.407 -13.514 1.00 0.00 N ATOM 0 H GLN A 75 -4.004 -8.741 -9.467 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.888 -9.467 -12.221 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.540 -7.222 -11.486 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.198 -8.348 -11.509 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -2.243 -7.249 -13.633 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.763 -8.902 -13.899 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.556 -5.959 -12.689 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.822 -6.054 -13.917 1.00 0.00 H new