USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 293 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 2 SER OG : rot 180:sc= 1.22 USER MOD Set 1.2: A 28 ASN : amide:sc= 0.891 K(o=2.1,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 1.08 K(o=1.1,f=-6.4!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.317 USER MOD Single : A 13 THR OG1 : rot 71:sc= 1.13 USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1.14) USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00165) USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.019) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.08) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.378 -3.019 -4.661 1.00 0.00 N ATOM 2 CA GLY A 1 21.142 -3.154 -3.866 1.00 0.00 C ATOM 3 C GLY A 1 21.438 -3.720 -2.482 1.00 0.00 C ATOM 4 O GLY A 1 21.831 -4.884 -2.353 1.00 0.00 O ATOM 0 H1 GLY A 1 22.147 -2.632 -5.598 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.036 -2.378 -4.174 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.823 -3.952 -4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.660 -2.181 -3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.441 -3.806 -4.387 1.00 0.00 H new ATOM 10 N SER A 2 21.246 -2.911 -1.433 1.00 0.00 N ATOM 11 CA SER A 2 21.565 -3.265 -0.049 1.00 0.00 C ATOM 12 C SER A 2 20.747 -4.461 0.467 1.00 0.00 C ATOM 13 O SER A 2 21.235 -5.220 1.309 1.00 0.00 O ATOM 14 CB SER A 2 21.323 -2.034 0.838 1.00 0.00 C ATOM 15 OG SER A 2 21.881 -0.866 0.259 1.00 0.00 O ATOM 0 H SER A 2 20.856 -1.973 -1.527 1.00 0.00 H new ATOM 0 HA SER A 2 22.611 -3.571 -0.011 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.252 -1.894 0.985 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.761 -2.200 1.822 1.00 0.00 H new ATOM 0 HG SER A 2 21.710 -0.098 0.843 1.00 0.00 H new ATOM 21 N GLY A 3 19.519 -4.639 -0.032 1.00 0.00 N ATOM 22 CA GLY A 3 18.631 -5.745 0.324 1.00 0.00 C ATOM 23 C GLY A 3 17.160 -5.350 0.192 1.00 0.00 C ATOM 24 O GLY A 3 16.319 -6.192 -0.132 1.00 0.00 O ATOM 0 H GLY A 3 19.107 -4.000 -0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 3 18.838 -6.600 -0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 3 18.833 -6.060 1.348 1.00 0.00 H new ATOM 28 N GLN A 4 16.852 -4.065 0.395 1.00 0.00 N ATOM 29 CA GLN A 4 15.533 -3.466 0.247 1.00 0.00 C ATOM 30 C GLN A 4 15.747 -2.003 -0.150 1.00 0.00 C ATOM 31 O GLN A 4 16.776 -1.412 0.187 1.00 0.00 O ATOM 32 CB GLN A 4 14.779 -3.589 1.590 1.00 0.00 C ATOM 33 CG GLN A 4 13.343 -3.033 1.576 1.00 0.00 C ATOM 34 CD GLN A 4 12.590 -3.356 2.866 1.00 0.00 C ATOM 35 OE1 GLN A 4 12.348 -2.478 3.689 1.00 0.00 O ATOM 36 NE2 GLN A 4 12.189 -4.600 3.072 1.00 0.00 N ATOM 0 H GLN A 4 17.556 -3.385 0.681 1.00 0.00 H new ATOM 0 HA GLN A 4 14.935 -3.964 -0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.744 -4.640 1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 4 15.348 -3.068 2.360 1.00 0.00 H new ATOM 0 HG2 GLN A 4 13.374 -1.953 1.436 1.00 0.00 H new ATOM 0 HG3 GLN A 4 12.802 -3.449 0.727 1.00 0.00 H new ATOM 0 HE21 GLN A 4 12.395 -5.323 2.382 1.00 0.00 H new ATOM 0 HE22 GLN A 4 11.674 -4.836 3.920 1.00 0.00 H new ATOM 45 N VAL A 5 14.768 -1.409 -0.832 1.00 0.00 N ATOM 46 CA VAL A 5 14.695 0.021 -1.101 1.00 0.00 C ATOM 47 C VAL A 5 13.212 0.375 -1.220 1.00 0.00 C ATOM 48 O VAL A 5 12.377 -0.475 -1.542 1.00 0.00 O ATOM 49 CB VAL A 5 15.579 0.398 -2.313 1.00 0.00 C ATOM 50 CG1 VAL A 5 14.973 0.022 -3.671 1.00 0.00 C ATOM 51 CG2 VAL A 5 15.943 1.890 -2.267 1.00 0.00 C ATOM 0 H VAL A 5 13.982 -1.928 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 5 15.110 0.625 -0.294 1.00 0.00 H new ATOM 0 HB VAL A 5 16.485 -0.201 -2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.654 0.320 -4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.814 -1.056 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.019 0.534 -3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 5 16.565 2.139 -3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.032 2.488 -2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.491 2.103 -1.349 1.00 0.00 H new ATOM 61 N ARG A 6 12.892 1.626 -0.903 1.00 0.00 N ATOM 62 CA ARG A 6 11.537 2.175 -0.893 1.00 0.00 C ATOM 63 C ARG A 6 11.595 3.596 -1.448 1.00 0.00 C ATOM 64 O ARG A 6 12.680 4.120 -1.713 1.00 0.00 O ATOM 65 CB ARG A 6 10.965 2.197 0.543 1.00 0.00 C ATOM 66 CG ARG A 6 10.985 0.851 1.286 1.00 0.00 C ATOM 67 CD ARG A 6 10.310 1.003 2.657 1.00 0.00 C ATOM 68 NE ARG A 6 10.716 -0.055 3.599 1.00 0.00 N ATOM 69 CZ ARG A 6 10.577 0.005 4.928 1.00 0.00 C ATOM 70 NH1 ARG A 6 9.848 0.945 5.516 1.00 0.00 N ATOM 71 NH2 ARG A 6 11.188 -0.879 5.699 1.00 0.00 N ATOM 0 H ARG A 6 13.596 2.313 -0.635 1.00 0.00 H new ATOM 0 HA ARG A 6 10.885 1.551 -1.505 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.529 2.923 1.128 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.936 2.553 0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.468 0.093 0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 6 12.013 0.510 1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.561 1.977 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.228 0.979 2.532 1.00 0.00 H new ATOM 0 HE ARG A 6 11.135 -0.898 3.207 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.373 1.650 4.952 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.762 0.963 6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 6 11.766 -1.608 5.280 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.081 -0.832 6.712 1.00 0.00 H new ATOM 85 N THR A 7 10.443 4.239 -1.570 1.00 0.00 N ATOM 86 CA THR A 7 10.329 5.654 -1.871 1.00 0.00 C ATOM 87 C THR A 7 9.122 6.155 -1.081 1.00 0.00 C ATOM 88 O THR A 7 8.174 5.403 -0.825 1.00 0.00 O ATOM 89 CB THR A 7 10.162 5.887 -3.389 1.00 0.00 C ATOM 90 OG1 THR A 7 10.946 4.978 -4.146 1.00 0.00 O ATOM 91 CG2 THR A 7 10.569 7.309 -3.792 1.00 0.00 C ATOM 0 H THR A 7 9.540 3.777 -1.459 1.00 0.00 H new ATOM 0 HA THR A 7 11.230 6.199 -1.588 1.00 0.00 H new ATOM 0 HB THR A 7 9.104 5.731 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.816 5.151 -5.102 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.438 7.434 -4.867 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.945 8.030 -3.264 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.614 7.476 -3.532 1.00 0.00 H new ATOM 99 N ILE A 8 9.179 7.420 -0.680 1.00 0.00 N ATOM 100 CA ILE A 8 8.188 8.073 0.173 1.00 0.00 C ATOM 101 C ILE A 8 7.875 9.455 -0.418 1.00 0.00 C ATOM 102 O ILE A 8 8.576 9.912 -1.326 1.00 0.00 O ATOM 103 CB ILE A 8 8.704 8.135 1.638 1.00 0.00 C ATOM 104 CG1 ILE A 8 9.811 9.184 1.809 1.00 0.00 C ATOM 105 CG2 ILE A 8 9.242 6.776 2.126 1.00 0.00 C ATOM 106 CD1 ILE A 8 10.139 9.419 3.280 1.00 0.00 C ATOM 0 H ILE A 8 9.942 8.042 -0.948 1.00 0.00 H new ATOM 0 HA ILE A 8 7.259 7.504 0.203 1.00 0.00 H new ATOM 0 HB ILE A 8 7.839 8.414 2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.708 8.856 1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.498 10.122 1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.591 6.871 3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.447 6.032 2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.070 6.463 1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 8 10.927 10.168 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.248 9.771 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.477 8.486 3.731 1.00 0.00 H new ATOM 118 N TRP A 9 6.866 10.145 0.123 1.00 0.00 N ATOM 119 CA TRP A 9 6.505 11.501 -0.289 1.00 0.00 C ATOM 120 C TRP A 9 5.978 12.291 0.921 1.00 0.00 C ATOM 121 O TRP A 9 4.941 12.952 0.864 1.00 0.00 O ATOM 122 CB TRP A 9 5.561 11.447 -1.508 1.00 0.00 C ATOM 123 CG TRP A 9 5.964 12.339 -2.647 1.00 0.00 C ATOM 124 CD1 TRP A 9 6.547 11.913 -3.788 1.00 0.00 C ATOM 125 CD2 TRP A 9 5.889 13.796 -2.763 1.00 0.00 C ATOM 126 NE1 TRP A 9 6.778 12.985 -4.626 1.00 0.00 N ATOM 127 CE2 TRP A 9 6.403 14.176 -4.042 1.00 0.00 C ATOM 128 CE3 TRP A 9 5.463 14.843 -1.916 1.00 0.00 C ATOM 129 CZ2 TRP A 9 6.461 15.514 -4.463 1.00 0.00 C ATOM 130 CZ3 TRP A 9 5.553 16.190 -2.311 1.00 0.00 C ATOM 131 CH2 TRP A 9 6.037 16.527 -3.587 1.00 0.00 C ATOM 0 H TRP A 9 6.273 9.773 0.865 1.00 0.00 H new ATOM 0 HA TRP A 9 7.379 12.055 -0.632 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.511 10.419 -1.868 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.556 11.721 -1.186 1.00 0.00 H new ATOM 0 HD1 TRP A 9 6.796 10.886 -4.012 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.177 12.906 -5.561 1.00 0.00 H new ATOM 0 HE3 TRP A 9 5.059 14.604 -0.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.827 15.762 -5.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.248 16.970 -1.629 1.00 0.00 H new ATOM 0 HH2 TRP A 9 6.083 17.562 -3.893 1.00 0.00 H new ATOM 142 N VAL A 10 6.652 12.150 2.065 1.00 0.00 N ATOM 143 CA VAL A 10 6.266 12.829 3.297 1.00 0.00 C ATOM 144 C VAL A 10 6.613 14.322 3.199 1.00 0.00 C ATOM 145 O VAL A 10 7.609 14.714 2.578 1.00 0.00 O ATOM 146 CB VAL A 10 6.916 12.108 4.499 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.434 12.281 4.545 1.00 0.00 C ATOM 148 CG2 VAL A 10 6.324 12.533 5.848 1.00 0.00 C ATOM 0 H VAL A 10 7.480 11.562 2.160 1.00 0.00 H new ATOM 0 HA VAL A 10 5.188 12.782 3.451 1.00 0.00 H new ATOM 0 HB VAL A 10 6.687 11.055 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.834 11.753 5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.874 11.873 3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.677 13.341 4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.823 11.991 6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.470 13.604 5.988 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.258 12.307 5.865 1.00 0.00 H new ATOM 158 N GLY A 11 5.803 15.141 3.863 1.00 0.00 N ATOM 159 CA GLY A 11 6.026 16.556 4.100 1.00 0.00 C ATOM 160 C GLY A 11 4.934 17.065 5.039 1.00 0.00 C ATOM 161 O GLY A 11 3.950 16.360 5.285 1.00 0.00 O ATOM 0 H GLY A 11 4.927 14.814 4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.010 16.716 4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.004 17.106 3.159 1.00 0.00 H new ATOM 165 N GLY A 12 5.116 18.268 5.588 1.00 0.00 N ATOM 166 CA GLY A 12 4.153 18.953 6.448 1.00 0.00 C ATOM 167 C GLY A 12 3.685 18.147 7.667 1.00 0.00 C ATOM 168 O GLY A 12 2.611 18.437 8.199 1.00 0.00 O ATOM 0 H GLY A 12 5.968 18.809 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.598 19.885 6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.281 19.220 5.851 1.00 0.00 H new ATOM 172 N THR A 13 4.448 17.137 8.103 1.00 0.00 N ATOM 173 CA THR A 13 4.034 16.165 9.105 1.00 0.00 C ATOM 174 C THR A 13 5.287 15.792 9.915 1.00 0.00 C ATOM 175 O THR A 13 5.875 14.733 9.679 1.00 0.00 O ATOM 176 CB THR A 13 3.359 14.952 8.419 1.00 0.00 C ATOM 177 OG1 THR A 13 2.453 15.338 7.399 1.00 0.00 O ATOM 178 CG2 THR A 13 2.571 14.110 9.432 1.00 0.00 C ATOM 0 H THR A 13 5.393 16.975 7.756 1.00 0.00 H new ATOM 0 HA THR A 13 3.286 16.569 9.787 1.00 0.00 H new ATOM 0 HB THR A 13 4.174 14.375 7.983 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.953 15.690 6.633 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.108 13.266 8.921 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.247 13.741 10.203 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.797 14.724 9.892 1.00 0.00 H new ATOM 186 N PRO A 14 5.762 16.669 10.824 1.00 0.00 N ATOM 187 CA PRO A 14 6.970 16.435 11.615 1.00 0.00 C ATOM 188 C PRO A 14 6.997 15.068 12.305 1.00 0.00 C ATOM 189 O PRO A 14 8.058 14.461 12.428 1.00 0.00 O ATOM 190 CB PRO A 14 7.022 17.570 12.643 1.00 0.00 C ATOM 191 CG PRO A 14 6.276 18.705 11.948 1.00 0.00 C ATOM 192 CD PRO A 14 5.194 17.971 11.159 1.00 0.00 C ATOM 0 HA PRO A 14 7.842 16.426 10.961 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.542 17.287 13.580 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.048 17.850 12.882 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.848 19.405 12.665 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.933 19.279 11.295 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.285 17.861 11.751 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.924 18.523 10.259 1.00 0.00 H new ATOM 200 N GLU A 15 5.837 14.568 12.739 1.00 0.00 N ATOM 201 CA GLU A 15 5.765 13.311 13.469 1.00 0.00 C ATOM 202 C GLU A 15 6.122 12.142 12.544 1.00 0.00 C ATOM 203 O GLU A 15 6.875 11.245 12.921 1.00 0.00 O ATOM 204 CB GLU A 15 4.365 13.147 14.085 1.00 0.00 C ATOM 205 CG GLU A 15 4.322 12.096 15.205 1.00 0.00 C ATOM 206 CD GLU A 15 4.915 12.624 16.527 1.00 0.00 C ATOM 207 OE1 GLU A 15 6.156 12.728 16.649 1.00 0.00 O ATOM 208 OE2 GLU A 15 4.138 12.927 17.462 1.00 0.00 O ATOM 0 H GLU A 15 4.935 15.021 12.594 1.00 0.00 H new ATOM 0 HA GLU A 15 6.490 13.317 14.283 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.034 14.107 14.482 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.660 12.865 13.303 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.290 11.787 15.370 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.874 11.210 14.890 1.00 0.00 H new ATOM 215 N GLU A 16 5.634 12.159 11.302 1.00 0.00 N ATOM 216 CA GLU A 16 5.893 11.128 10.336 1.00 0.00 C ATOM 217 C GLU A 16 7.328 11.267 9.814 1.00 0.00 C ATOM 218 O GLU A 16 8.003 10.265 9.622 1.00 0.00 O ATOM 219 CB GLU A 16 4.839 11.319 9.245 1.00 0.00 C ATOM 220 CG GLU A 16 4.925 10.257 8.168 1.00 0.00 C ATOM 221 CD GLU A 16 4.277 8.920 8.575 1.00 0.00 C ATOM 222 OE1 GLU A 16 4.877 8.150 9.355 1.00 0.00 O ATOM 223 OE2 GLU A 16 3.154 8.624 8.106 1.00 0.00 O ATOM 0 H GLU A 16 5.040 12.909 10.949 1.00 0.00 H new ATOM 0 HA GLU A 16 5.822 10.121 10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.846 11.297 9.695 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.962 12.303 8.792 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.441 10.627 7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.973 10.084 7.921 1.00 0.00 H new ATOM 230 N LEU A 17 7.838 12.492 9.651 1.00 0.00 N ATOM 231 CA LEU A 17 9.233 12.752 9.313 1.00 0.00 C ATOM 232 C LEU A 17 10.143 12.121 10.362 1.00 0.00 C ATOM 233 O LEU A 17 11.164 11.548 9.997 1.00 0.00 O ATOM 234 CB LEU A 17 9.486 14.268 9.219 1.00 0.00 C ATOM 235 CG LEU A 17 9.040 14.878 7.876 1.00 0.00 C ATOM 236 CD1 LEU A 17 8.800 16.387 7.999 1.00 0.00 C ATOM 237 CD2 LEU A 17 10.095 14.637 6.797 1.00 0.00 C ATOM 0 H LEU A 17 7.281 13.341 9.753 1.00 0.00 H new ATOM 0 HA LEU A 17 9.454 12.308 8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.958 14.769 10.031 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.549 14.462 9.363 1.00 0.00 H new ATOM 0 HG LEU A 17 8.106 14.389 7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.487 16.785 7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.021 16.572 8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.722 16.878 8.312 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.761 15.075 5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.036 15.098 7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.242 13.565 6.665 1.00 0.00 H new ATOM 249 N LYS A 18 9.769 12.161 11.646 1.00 0.00 N ATOM 250 CA LYS A 18 10.546 11.514 12.706 1.00 0.00 C ATOM 251 C LYS A 18 10.475 9.999 12.549 1.00 0.00 C ATOM 252 O LYS A 18 11.518 9.345 12.555 1.00 0.00 O ATOM 253 CB LYS A 18 10.047 11.939 14.095 1.00 0.00 C ATOM 254 CG LYS A 18 10.450 13.376 14.469 1.00 0.00 C ATOM 255 CD LYS A 18 9.560 13.949 15.583 1.00 0.00 C ATOM 256 CE LYS A 18 9.630 13.131 16.882 1.00 0.00 C ATOM 257 NZ LYS A 18 8.547 13.497 17.825 1.00 0.00 N ATOM 0 H LYS A 18 8.929 12.637 11.976 1.00 0.00 H new ATOM 0 HA LYS A 18 11.585 11.831 12.616 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.961 11.853 14.126 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.442 11.251 14.842 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.491 13.389 14.793 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.383 14.013 13.587 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.860 14.976 15.789 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.527 13.983 15.236 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.562 12.069 16.646 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.597 13.291 17.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.784 13.152 18.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.442 14.531 17.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.654 13.065 17.513 1.00 0.00 H new ATOM 271 N LYS A 19 9.279 9.424 12.380 1.00 0.00 N ATOM 272 CA LYS A 19 9.133 7.974 12.234 1.00 0.00 C ATOM 273 C LYS A 19 9.888 7.470 11.006 1.00 0.00 C ATOM 274 O LYS A 19 10.584 6.461 11.092 1.00 0.00 O ATOM 275 CB LYS A 19 7.647 7.579 12.152 1.00 0.00 C ATOM 276 CG LYS A 19 6.848 7.794 13.451 1.00 0.00 C ATOM 277 CD LYS A 19 7.296 6.877 14.603 1.00 0.00 C ATOM 278 CE LYS A 19 6.446 7.075 15.869 1.00 0.00 C ATOM 279 NZ LYS A 19 5.052 6.582 15.721 1.00 0.00 N ATOM 0 H LYS A 19 8.400 9.941 12.341 1.00 0.00 H new ATOM 0 HA LYS A 19 9.565 7.504 13.117 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.177 8.153 11.354 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.580 6.528 11.871 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.949 8.833 13.763 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.790 7.623 13.251 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.231 5.837 14.283 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.342 7.074 14.836 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.921 6.557 16.702 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.425 8.135 16.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.536 6.728 16.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.578 7.104 14.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.065 5.568 15.491 1.00 0.00 H new ATOM 293 N LEU A 20 9.793 8.158 9.869 1.00 0.00 N ATOM 294 CA LEU A 20 10.458 7.740 8.641 1.00 0.00 C ATOM 295 C LEU A 20 11.959 8.020 8.720 1.00 0.00 C ATOM 296 O LEU A 20 12.732 7.235 8.177 1.00 0.00 O ATOM 297 CB LEU A 20 9.794 8.364 7.400 1.00 0.00 C ATOM 298 CG LEU A 20 8.318 7.937 7.202 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.759 8.505 5.899 1.00 0.00 C ATOM 300 CD2 LEU A 20 8.122 6.412 7.182 1.00 0.00 C ATOM 0 H LEU A 20 9.254 9.019 9.776 1.00 0.00 H new ATOM 0 HA LEU A 20 10.342 6.662 8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.841 9.450 7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.365 8.086 6.515 1.00 0.00 H new ATOM 0 HG LEU A 20 7.783 8.338 8.063 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.722 8.192 5.781 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.809 9.594 5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.347 8.135 5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.066 6.183 7.040 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.700 5.982 6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.461 5.989 8.128 1.00 0.00 H new ATOM 312 N LYS A 21 12.405 9.068 9.426 1.00 0.00 N ATOM 313 CA LYS A 21 13.839 9.231 9.708 1.00 0.00 C ATOM 314 C LYS A 21 14.351 8.057 10.546 1.00 0.00 C ATOM 315 O LYS A 21 15.431 7.542 10.265 1.00 0.00 O ATOM 316 CB LYS A 21 14.102 10.586 10.392 1.00 0.00 C ATOM 317 CG LYS A 21 15.560 10.855 10.807 1.00 0.00 C ATOM 318 CD LYS A 21 16.565 10.769 9.645 1.00 0.00 C ATOM 319 CE LYS A 21 17.970 11.253 10.044 1.00 0.00 C ATOM 320 NZ LYS A 21 18.043 12.723 10.258 1.00 0.00 N ATOM 0 H LYS A 21 11.808 9.803 9.806 1.00 0.00 H new ATOM 0 HA LYS A 21 14.391 9.229 8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.784 11.380 9.717 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.473 10.652 11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.623 11.846 11.256 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.847 10.138 11.576 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.625 9.738 9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.202 11.368 8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.277 10.743 10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.680 10.970 9.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.026 12.996 10.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.714 13.215 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.440 12.987 11.063 1.00 0.00 H new ATOM 334 N GLU A 22 13.590 7.604 11.545 1.00 0.00 N ATOM 335 CA GLU A 22 13.962 6.443 12.344 1.00 0.00 C ATOM 336 C GLU A 22 14.008 5.198 11.452 1.00 0.00 C ATOM 337 O GLU A 22 14.963 4.434 11.520 1.00 0.00 O ATOM 338 CB GLU A 22 12.990 6.283 13.525 1.00 0.00 C ATOM 339 CG GLU A 22 13.457 5.259 14.568 1.00 0.00 C ATOM 340 CD GLU A 22 14.670 5.756 15.378 1.00 0.00 C ATOM 341 OE1 GLU A 22 14.476 6.438 16.410 1.00 0.00 O ATOM 342 OE2 GLU A 22 15.825 5.453 15.008 1.00 0.00 O ATOM 0 H GLU A 22 12.705 8.031 11.819 1.00 0.00 H new ATOM 0 HA GLU A 22 14.958 6.582 12.765 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.858 7.250 14.010 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.014 5.982 13.144 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.635 5.038 15.249 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.716 4.326 14.067 1.00 0.00 H new ATOM 349 N GLU A 23 13.038 5.009 10.556 1.00 0.00 N ATOM 350 CA GLU A 23 13.012 3.895 9.610 1.00 0.00 C ATOM 351 C GLU A 23 14.242 3.920 8.697 1.00 0.00 C ATOM 352 O GLU A 23 14.844 2.872 8.477 1.00 0.00 O ATOM 353 CB GLU A 23 11.701 3.952 8.808 1.00 0.00 C ATOM 354 CG GLU A 23 11.416 2.687 7.984 1.00 0.00 C ATOM 355 CD GLU A 23 10.989 1.454 8.794 1.00 0.00 C ATOM 356 OE1 GLU A 23 10.957 1.481 10.044 1.00 0.00 O ATOM 357 OE2 GLU A 23 10.671 0.424 8.156 1.00 0.00 O ATOM 0 H GLU A 23 12.238 5.635 10.467 1.00 0.00 H new ATOM 0 HA GLU A 23 13.049 2.951 10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.873 4.119 9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.735 4.810 8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.633 2.914 7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.311 2.435 7.416 1.00 0.00 H new ATOM 364 N ALA A 24 14.679 5.105 8.254 1.00 0.00 N ATOM 365 CA ALA A 24 15.897 5.306 7.468 1.00 0.00 C ATOM 366 C ALA A 24 17.192 5.012 8.244 1.00 0.00 C ATOM 367 O ALA A 24 18.283 5.106 7.676 1.00 0.00 O ATOM 368 CB ALA A 24 15.918 6.741 6.936 1.00 0.00 C ATOM 0 H ALA A 24 14.179 5.974 8.439 1.00 0.00 H new ATOM 0 HA ALA A 24 15.869 4.587 6.649 1.00 0.00 H new ATOM 0 HB1 ALA A 24 16.823 6.898 6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.044 6.909 6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.902 7.439 7.773 1.00 0.00 H new ATOM 374 N LYS A 25 17.089 4.677 9.532 1.00 0.00 N ATOM 375 CA LYS A 25 18.197 4.251 10.383 1.00 0.00 C ATOM 376 C LYS A 25 17.957 2.825 10.881 1.00 0.00 C ATOM 377 O LYS A 25 18.923 2.109 11.148 1.00 0.00 O ATOM 378 CB LYS A 25 18.357 5.241 11.551 1.00 0.00 C ATOM 379 CG LYS A 25 18.792 6.642 11.080 1.00 0.00 C ATOM 380 CD LYS A 25 18.688 7.708 12.183 1.00 0.00 C ATOM 381 CE LYS A 25 19.523 7.418 13.443 1.00 0.00 C ATOM 382 NZ LYS A 25 20.988 7.442 13.193 1.00 0.00 N ATOM 0 H LYS A 25 16.197 4.696 10.027 1.00 0.00 H new ATOM 0 HA LYS A 25 19.124 4.248 9.810 1.00 0.00 H new ATOM 0 HB2 LYS A 25 17.412 5.319 12.089 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.094 4.852 12.254 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.821 6.596 10.724 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.175 6.942 10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.999 8.668 11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.642 7.810 12.473 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.280 8.154 14.210 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.244 6.441 13.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.495 7.240 14.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 21.231 6.722 12.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 21.265 8.381 12.842 1.00 0.00 H new ATOM 396 N LYS A 26 16.697 2.376 10.965 1.00 0.00 N ATOM 397 CA LYS A 26 16.347 0.994 11.276 1.00 0.00 C ATOM 398 C LYS A 26 16.763 0.103 10.107 1.00 0.00 C ATOM 399 O LYS A 26 17.321 -0.973 10.323 1.00 0.00 O ATOM 400 CB LYS A 26 14.834 0.890 11.534 1.00 0.00 C ATOM 401 CG LYS A 26 14.466 -0.416 12.260 1.00 0.00 C ATOM 402 CD LYS A 26 12.950 -0.665 12.256 1.00 0.00 C ATOM 403 CE LYS A 26 12.499 -1.281 10.922 1.00 0.00 C ATOM 404 NZ LYS A 26 11.034 -1.190 10.735 1.00 0.00 N ATOM 0 H LYS A 26 15.885 2.975 10.816 1.00 0.00 H new ATOM 0 HA LYS A 26 16.869 0.666 12.175 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.508 1.742 12.131 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.299 0.942 10.586 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.973 -1.253 11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.824 -0.373 13.289 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.685 -1.331 13.077 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.423 0.274 12.424 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.001 -0.772 10.100 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.805 -2.327 10.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.761 -1.706 9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.553 -1.609 11.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.757 -0.192 10.643 1.00 0.00 H new ATOM 418 N ALA A 27 16.525 0.573 8.880 1.00 0.00 N ATOM 419 CA ALA A 27 16.926 -0.076 7.641 1.00 0.00 C ATOM 420 C ALA A 27 17.588 0.956 6.723 1.00 0.00 C ATOM 421 O ALA A 27 17.415 2.163 6.893 1.00 0.00 O ATOM 422 CB ALA A 27 15.695 -0.719 6.987 1.00 0.00 C ATOM 0 H ALA A 27 16.028 1.450 8.722 1.00 0.00 H new ATOM 0 HA ALA A 27 17.652 -0.865 7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.990 -1.207 6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.267 -1.458 7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.953 0.050 6.773 1.00 0.00 H new ATOM 428 N ASN A 28 18.348 0.474 5.735 1.00 0.00 N ATOM 429 CA ASN A 28 19.161 1.309 4.842 1.00 0.00 C ATOM 430 C ASN A 28 18.328 2.074 3.795 1.00 0.00 C ATOM 431 O ASN A 28 18.879 2.874 3.039 1.00 0.00 O ATOM 432 CB ASN A 28 20.201 0.407 4.150 1.00 0.00 C ATOM 433 CG ASN A 28 21.212 1.189 3.312 1.00 0.00 C ATOM 434 OD1 ASN A 28 21.253 1.062 2.091 1.00 0.00 O ATOM 435 ND2 ASN A 28 22.067 1.982 3.939 1.00 0.00 N ATOM 0 H ASN A 28 18.418 -0.523 5.529 1.00 0.00 H new ATOM 0 HA ASN A 28 19.648 2.074 5.447 1.00 0.00 H new ATOM 0 HB2 ASN A 28 20.734 -0.169 4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 28 19.684 -0.308 3.510 1.00 0.00 H new ATOM 0 HD21 ASN A 28 22.770 2.496 3.408 1.00 0.00 H new ATOM 0 HD22 ASN A 28 22.023 2.079 4.953 1.00 0.00 H new ATOM 442 N ILE A 29 17.022 1.797 3.711 1.00 0.00 N ATOM 443 CA ILE A 29 16.131 2.260 2.657 1.00 0.00 C ATOM 444 C ILE A 29 16.183 3.778 2.418 1.00 0.00 C ATOM 445 O ILE A 29 16.366 4.588 3.329 1.00 0.00 O ATOM 446 CB ILE A 29 14.697 1.705 2.867 1.00 0.00 C ATOM 447 CG1 ILE A 29 13.993 1.926 4.224 1.00 0.00 C ATOM 448 CG2 ILE A 29 14.750 0.171 2.728 1.00 0.00 C ATOM 449 CD1 ILE A 29 13.736 3.374 4.644 1.00 0.00 C ATOM 0 H ILE A 29 16.545 1.222 4.405 1.00 0.00 H new ATOM 0 HA ILE A 29 16.501 1.845 1.720 1.00 0.00 H new ATOM 0 HB ILE A 29 14.127 2.266 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 29 13.036 1.406 4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 29 14.594 1.450 4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 29 13.752 -0.242 2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 29 15.112 -0.092 1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 29 15.424 -0.239 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 29 13.237 3.389 5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 29 14.685 3.906 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 29 13.103 3.861 3.903 1.00 0.00 H new ATOM 461 N ARG A 30 16.015 4.145 1.145 1.00 0.00 N ATOM 462 CA ARG A 30 15.872 5.521 0.689 1.00 0.00 C ATOM 463 C ARG A 30 14.656 6.156 1.360 1.00 0.00 C ATOM 464 O ARG A 30 13.615 5.515 1.510 1.00 0.00 O ATOM 465 CB ARG A 30 15.747 5.498 -0.849 1.00 0.00 C ATOM 466 CG ARG A 30 15.228 6.797 -1.494 1.00 0.00 C ATOM 467 CD ARG A 30 15.199 6.698 -3.024 1.00 0.00 C ATOM 468 NE ARG A 30 14.311 5.620 -3.500 1.00 0.00 N ATOM 469 CZ ARG A 30 14.456 4.895 -4.614 1.00 0.00 C ATOM 470 NH1 ARG A 30 15.521 5.040 -5.400 1.00 0.00 N ATOM 471 NH2 ARG A 30 13.513 4.019 -4.929 1.00 0.00 N ATOM 0 H ARG A 30 15.974 3.468 0.383 1.00 0.00 H new ATOM 0 HA ARG A 30 16.738 6.125 0.960 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.725 5.269 -1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 30 15.080 4.683 -1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 30 14.225 7.012 -1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 30 15.863 7.631 -1.195 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.868 7.649 -3.441 1.00 0.00 H new ATOM 0 HD3 ARG A 30 16.209 6.523 -3.393 1.00 0.00 H new ATOM 0 HE ARG A 30 13.501 5.405 -2.918 1.00 0.00 H new ATOM 0 HH11 ARG A 30 16.246 5.715 -5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.611 4.476 -6.245 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.698 3.909 -4.326 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.603 3.455 -5.774 1.00 0.00 H new ATOM 485 N VAL A 31 14.780 7.442 1.671 1.00 0.00 N ATOM 486 CA VAL A 31 13.703 8.314 2.114 1.00 0.00 C ATOM 487 C VAL A 31 13.923 9.666 1.437 1.00 0.00 C ATOM 488 O VAL A 31 15.059 10.026 1.105 1.00 0.00 O ATOM 489 CB VAL A 31 13.657 8.432 3.655 1.00 0.00 C ATOM 490 CG1 VAL A 31 13.184 7.121 4.301 1.00 0.00 C ATOM 491 CG2 VAL A 31 14.988 8.872 4.284 1.00 0.00 C ATOM 0 H VAL A 31 15.677 7.925 1.618 1.00 0.00 H new ATOM 0 HA VAL A 31 12.734 7.904 1.831 1.00 0.00 H new ATOM 0 HB VAL A 31 12.935 9.222 3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.162 7.236 5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.184 6.879 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.870 6.316 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.877 8.932 5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.764 8.147 4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.269 9.850 3.894 1.00 0.00 H new ATOM 501 N THR A 32 12.838 10.409 1.249 1.00 0.00 N ATOM 502 CA THR A 32 12.849 11.696 0.563 1.00 0.00 C ATOM 503 C THR A 32 11.877 12.613 1.306 1.00 0.00 C ATOM 504 O THR A 32 10.737 12.225 1.561 1.00 0.00 O ATOM 505 CB THR A 32 12.459 11.511 -0.920 1.00 0.00 C ATOM 506 OG1 THR A 32 12.985 10.305 -1.459 1.00 0.00 O ATOM 507 CG2 THR A 32 12.968 12.680 -1.768 1.00 0.00 C ATOM 0 H THR A 32 11.912 10.130 1.574 1.00 0.00 H new ATOM 0 HA THR A 32 13.843 12.143 0.567 1.00 0.00 H new ATOM 0 HB THR A 32 11.370 11.471 -0.951 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.716 10.222 -2.398 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.681 12.527 -2.808 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.532 13.610 -1.404 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.054 12.736 -1.696 1.00 0.00 H new ATOM 515 N PHE A 33 12.323 13.810 1.686 1.00 0.00 N ATOM 516 CA PHE A 33 11.581 14.684 2.585 1.00 0.00 C ATOM 517 C PHE A 33 11.311 16.013 1.884 1.00 0.00 C ATOM 518 O PHE A 33 12.252 16.720 1.512 1.00 0.00 O ATOM 519 CB PHE A 33 12.393 14.904 3.877 1.00 0.00 C ATOM 520 CG PHE A 33 12.736 13.685 4.727 1.00 0.00 C ATOM 521 CD1 PHE A 33 11.888 12.560 4.783 1.00 0.00 C ATOM 522 CD2 PHE A 33 13.888 13.708 5.540 1.00 0.00 C ATOM 523 CE1 PHE A 33 12.161 11.496 5.660 1.00 0.00 C ATOM 524 CE2 PHE A 33 14.177 12.633 6.400 1.00 0.00 C ATOM 525 CZ PHE A 33 13.307 11.531 6.469 1.00 0.00 C ATOM 0 H PHE A 33 13.213 14.199 1.376 1.00 0.00 H new ATOM 0 HA PHE A 33 10.628 14.226 2.849 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.328 15.394 3.604 1.00 0.00 H new ATOM 0 HB3 PHE A 33 11.839 15.602 4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 33 11.018 12.515 4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.554 14.558 5.502 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.489 10.652 5.711 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.069 12.654 7.008 1.00 0.00 H new ATOM 0 HZ PHE A 33 13.520 10.714 7.142 1.00 0.00 H new ATOM 535 N TRP A 34 10.034 16.354 1.709 1.00 0.00 N ATOM 536 CA TRP A 34 9.614 17.677 1.264 1.00 0.00 C ATOM 537 C TRP A 34 9.287 18.529 2.490 1.00 0.00 C ATOM 538 O TRP A 34 8.974 17.994 3.559 1.00 0.00 O ATOM 539 CB TRP A 34 8.405 17.547 0.326 1.00 0.00 C ATOM 540 CG TRP A 34 8.789 17.116 -1.060 1.00 0.00 C ATOM 541 CD1 TRP A 34 9.008 17.955 -2.096 1.00 0.00 C ATOM 542 CD2 TRP A 34 9.085 15.776 -1.570 1.00 0.00 C ATOM 543 NE1 TRP A 34 9.430 17.243 -3.199 1.00 0.00 N ATOM 544 CE2 TRP A 34 9.512 15.894 -2.928 1.00 0.00 C ATOM 545 CE3 TRP A 34 9.060 14.473 -1.023 1.00 0.00 C ATOM 546 CZ2 TRP A 34 9.903 14.786 -3.696 1.00 0.00 C ATOM 547 CZ3 TRP A 34 9.448 13.357 -1.786 1.00 0.00 C ATOM 548 CH2 TRP A 34 9.867 13.508 -3.118 1.00 0.00 C ATOM 0 H TRP A 34 9.258 15.713 1.874 1.00 0.00 H new ATOM 0 HA TRP A 34 10.414 18.165 0.707 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.702 16.827 0.744 1.00 0.00 H new ATOM 0 HB3 TRP A 34 7.887 18.504 0.274 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.872 19.026 -2.065 1.00 0.00 H new ATOM 0 HE1 TRP A 34 9.653 17.662 -4.102 1.00 0.00 H new ATOM 0 HE3 TRP A 34 8.738 14.332 -0.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 10.227 14.915 -4.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 9.423 12.373 -1.343 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.160 12.644 -3.695 1.00 0.00 H new ATOM 559 N GLY A 35 9.337 19.856 2.335 1.00 0.00 N ATOM 560 CA GLY A 35 8.841 20.773 3.353 1.00 0.00 C ATOM 561 C GLY A 35 7.341 20.543 3.529 1.00 0.00 C ATOM 562 O GLY A 35 6.871 20.329 4.648 1.00 0.00 O ATOM 0 H GLY A 35 9.719 20.316 1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.362 20.608 4.296 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.033 21.805 3.058 1.00 0.00 H new ATOM 566 N ASP A 36 6.611 20.494 2.413 1.00 0.00 N ATOM 567 CA ASP A 36 5.215 20.084 2.295 1.00 0.00 C ATOM 568 C ASP A 36 4.942 19.783 0.825 1.00 0.00 C ATOM 569 O ASP A 36 4.227 18.801 0.542 1.00 0.00 O ATOM 570 CB ASP A 36 4.258 21.184 2.769 1.00 0.00 C ATOM 571 CG ASP A 36 2.806 20.837 2.395 1.00 0.00 C ATOM 572 OD1 ASP A 36 2.198 19.970 3.063 1.00 0.00 O ATOM 573 OD2 ASP A 36 2.254 21.458 1.459 1.00 0.00 O ATOM 574 OXT ASP A 36 5.489 20.502 -0.038 1.00 0.00 O ATOM 0 H ASP A 36 7.007 20.757 1.511 1.00 0.00 H new ATOM 0 HA ASP A 36 5.048 19.208 2.922 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.342 21.306 3.849 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.538 22.136 2.318 1.00 0.00 H new TER 579 ASP A 36