USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 508 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 3 MET CE :methyl -112:sc= -2.26! (180deg=-2.98!) USER MOD Set 1.2: A 23 ASN : amide:sc= 1.18 K(o=-1.1,f=-2.8) USER MOD Single : A 4 ASN : amide:sc=-0.00119 X(o=-0.0012,f=-0.03) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 170:sc= 0.00109 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0333) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= -0.0165 (180deg=-0.111) USER MOD Single : A 20 LYS NZ :NH3+ 124:sc= -0.0516 (180deg=-0.498) USER MOD Single : A 26 ASN : amide:sc= -3.13! C(o=-3.1!,f=-7.1!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -2.12! C(o=-2.1!,f=-3.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.03 K(o=-2,f=-15!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -0.0948 (180deg=-0.478) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00443 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.594 K(o=-0.59,f=-3.3!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= -0.0229 (180deg=-0.241) USER MOD Single : A 58 SER OG : rot 139:sc= -2.58! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -13.410 -1.719 -1.785 1.00 0.00 N ATOM 21 CA ALA A 2 -12.236 -1.266 -1.053 1.00 0.00 C ATOM 22 C ALA A 2 -11.938 -2.191 0.124 1.00 0.00 C ATOM 23 O ALA A 2 -12.800 -2.431 0.974 1.00 0.00 O ATOM 24 CB ALA A 2 -12.434 0.163 -0.567 1.00 0.00 C ATOM 0 HA ALA A 2 -11.382 -1.291 -1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.548 0.488 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.594 0.819 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.302 0.206 0.091 1.00 0.00 H new ATOM 30 N MET A 3 -10.726 -2.717 0.160 1.00 0.00 N ATOM 31 CA MET A 3 -10.302 -3.597 1.235 1.00 0.00 C ATOM 32 C MET A 3 -9.215 -2.917 2.051 1.00 0.00 C ATOM 33 O MET A 3 -8.557 -1.996 1.565 1.00 0.00 O ATOM 34 CB MET A 3 -9.796 -4.928 0.669 1.00 0.00 C ATOM 35 CG MET A 3 -10.814 -5.647 -0.203 1.00 0.00 C ATOM 36 SD MET A 3 -10.262 -7.287 -0.719 1.00 0.00 S ATOM 37 CE MET A 3 -10.245 -8.136 0.858 1.00 0.00 C ATOM 0 H MET A 3 -10.013 -2.548 -0.549 1.00 0.00 H new ATOM 0 HA MET A 3 -11.154 -3.806 1.882 1.00 0.00 H new ATOM 0 HB2 MET A 3 -8.894 -4.745 0.084 1.00 0.00 H new ATOM 0 HB3 MET A 3 -9.513 -5.580 1.495 1.00 0.00 H new ATOM 0 HG2 MET A 3 -11.752 -5.740 0.344 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.019 -5.043 -1.087 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.217 -8.367 1.136 1.00 0.00 H new ATOM 0 HE2 MET A 3 -10.692 -7.497 1.620 1.00 0.00 H new ATOM 0 HE3 MET A 3 -10.816 -9.061 0.779 1.00 0.00 H new ATOM 47 N ASN A 4 -9.030 -3.354 3.284 1.00 0.00 N ATOM 48 CA ASN A 4 -8.048 -2.740 4.155 1.00 0.00 C ATOM 49 C ASN A 4 -6.826 -3.632 4.321 1.00 0.00 C ATOM 50 O ASN A 4 -6.936 -4.854 4.414 1.00 0.00 O ATOM 51 CB ASN A 4 -8.655 -2.405 5.522 1.00 0.00 C ATOM 52 CG ASN A 4 -9.216 -3.615 6.254 1.00 0.00 C ATOM 53 OD1 ASN A 4 -10.370 -3.998 6.052 1.00 0.00 O ATOM 54 ND2 ASN A 4 -8.428 -4.197 7.143 1.00 0.00 N ATOM 0 H ASN A 4 -9.545 -4.129 3.702 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.730 -1.810 3.685 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.892 -1.937 6.144 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.450 -1.672 5.387 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.770 -4.989 7.687 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.478 -3.854 7.284 1.00 0.00 H new ATOM 61 N GLY A 5 -5.665 -3.009 4.337 1.00 0.00 N ATOM 62 CA GLY A 5 -4.426 -3.727 4.534 1.00 0.00 C ATOM 63 C GLY A 5 -3.494 -2.974 5.457 1.00 0.00 C ATOM 64 O GLY A 5 -3.756 -1.822 5.799 1.00 0.00 O ATOM 0 H GLY A 5 -5.556 -2.002 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.637 -4.712 4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.938 -3.886 3.572 1.00 0.00 H new ATOM 68 N THR A 6 -2.416 -3.616 5.867 1.00 0.00 N ATOM 69 CA THR A 6 -1.455 -2.988 6.754 1.00 0.00 C ATOM 70 C THR A 6 -0.094 -2.883 6.071 1.00 0.00 C ATOM 71 O THR A 6 0.377 -3.831 5.439 1.00 0.00 O ATOM 72 CB THR A 6 -1.316 -3.775 8.067 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.617 -4.168 8.532 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.626 -2.939 9.136 1.00 0.00 C ATOM 0 H THR A 6 -2.184 -4.573 5.600 1.00 0.00 H new ATOM 0 HA THR A 6 -1.820 -1.988 6.988 1.00 0.00 H new ATOM 0 HB THR A 6 -0.707 -4.658 7.874 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.527 -4.671 9.368 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.541 -3.520 10.054 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.369 -2.657 8.792 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.211 -2.040 9.329 1.00 0.00 H new ATOM 82 N ILE A 7 0.519 -1.719 6.199 1.00 0.00 N ATOM 83 CA ILE A 7 1.794 -1.438 5.548 1.00 0.00 C ATOM 84 C ILE A 7 2.935 -2.093 6.312 1.00 0.00 C ATOM 85 O ILE A 7 3.143 -1.807 7.496 1.00 0.00 O ATOM 86 CB ILE A 7 2.058 0.080 5.457 1.00 0.00 C ATOM 87 CG1 ILE A 7 0.855 0.789 4.832 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.321 0.350 4.643 1.00 0.00 C ATOM 89 CD1 ILE A 7 0.972 2.301 4.817 1.00 0.00 C ATOM 0 H ILE A 7 0.153 -0.944 6.753 1.00 0.00 H new ATOM 0 HA ILE A 7 1.741 -1.847 4.539 1.00 0.00 H new ATOM 0 HB ILE A 7 2.206 0.471 6.463 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.728 0.434 3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.044 0.509 5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.495 1.425 4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.173 -0.131 5.123 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.198 -0.051 3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.081 2.730 4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.068 2.669 5.839 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.852 2.592 4.243 1.00 0.00 H new ATOM 101 N THR A 8 3.670 -2.969 5.644 1.00 0.00 N ATOM 102 CA THR A 8 4.751 -3.685 6.286 1.00 0.00 C ATOM 103 C THR A 8 6.101 -3.173 5.808 1.00 0.00 C ATOM 104 O THR A 8 6.959 -2.814 6.613 1.00 0.00 O ATOM 105 CB THR A 8 4.636 -5.195 6.022 1.00 0.00 C ATOM 106 OG1 THR A 8 4.333 -5.438 4.641 1.00 0.00 O ATOM 107 CG2 THR A 8 3.557 -5.811 6.895 1.00 0.00 C ATOM 0 H THR A 8 3.535 -3.198 4.659 1.00 0.00 H new ATOM 0 HA THR A 8 4.675 -3.511 7.359 1.00 0.00 H new ATOM 0 HB THR A 8 5.593 -5.655 6.266 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.421 -6.395 4.450 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.492 -6.880 6.693 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.805 -5.655 7.945 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.599 -5.341 6.675 1.00 0.00 H new ATOM 115 N THR A 9 6.282 -3.125 4.501 1.00 0.00 N ATOM 116 CA THR A 9 7.537 -2.675 3.926 1.00 0.00 C ATOM 117 C THR A 9 7.306 -1.474 3.017 1.00 0.00 C ATOM 118 O THR A 9 6.453 -1.516 2.134 1.00 0.00 O ATOM 119 CB THR A 9 8.205 -3.804 3.117 1.00 0.00 C ATOM 120 OG1 THR A 9 8.174 -5.027 3.866 1.00 0.00 O ATOM 121 CG2 THR A 9 9.647 -3.452 2.775 1.00 0.00 C ATOM 0 H THR A 9 5.575 -3.392 3.816 1.00 0.00 H new ATOM 0 HA THR A 9 8.195 -2.388 4.746 1.00 0.00 H new ATOM 0 HB THR A 9 7.649 -3.929 2.188 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.599 -5.740 3.345 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.095 -4.266 2.204 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.667 -2.538 2.181 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.212 -3.300 3.694 1.00 0.00 H new ATOM 129 N TRP A 10 8.047 -0.404 3.240 1.00 0.00 N ATOM 130 CA TRP A 10 7.956 0.766 2.380 1.00 0.00 C ATOM 131 C TRP A 10 9.341 1.327 2.112 1.00 0.00 C ATOM 132 O TRP A 10 10.051 1.731 3.034 1.00 0.00 O ATOM 133 CB TRP A 10 7.053 1.836 3.009 1.00 0.00 C ATOM 134 CG TRP A 10 6.948 3.099 2.200 1.00 0.00 C ATOM 135 CD1 TRP A 10 7.453 4.325 2.530 1.00 0.00 C ATOM 136 CD2 TRP A 10 6.305 3.264 0.925 1.00 0.00 C ATOM 137 NE1 TRP A 10 7.156 5.238 1.549 1.00 0.00 N ATOM 138 CE2 TRP A 10 6.456 4.613 0.554 1.00 0.00 C ATOM 139 CE3 TRP A 10 5.615 2.403 0.064 1.00 0.00 C ATOM 140 CZ2 TRP A 10 5.946 5.121 -0.636 1.00 0.00 C ATOM 141 CZ3 TRP A 10 5.108 2.912 -1.119 1.00 0.00 C ATOM 142 CH2 TRP A 10 5.278 4.260 -1.460 1.00 0.00 C ATOM 0 H TRP A 10 8.716 -0.319 4.005 1.00 0.00 H new ATOM 0 HA TRP A 10 7.511 0.464 1.432 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.055 1.420 3.146 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.434 2.082 4.000 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.006 4.544 3.432 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.416 6.224 1.560 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.481 1.362 0.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 6.074 6.161 -0.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.572 2.258 -1.791 1.00 0.00 H new ATOM 0 HH2 TRP A 10 4.873 4.626 -2.392 1.00 0.00 H new ATOM 153 N PHE A 11 9.737 1.322 0.849 1.00 0.00 N ATOM 154 CA PHE A 11 11.005 1.900 0.451 1.00 0.00 C ATOM 155 C PHE A 11 10.798 3.361 0.089 1.00 0.00 C ATOM 156 O PHE A 11 10.537 3.696 -1.070 1.00 0.00 O ATOM 157 CB PHE A 11 11.608 1.137 -0.731 1.00 0.00 C ATOM 158 CG PHE A 11 11.885 -0.309 -0.439 1.00 0.00 C ATOM 159 CD1 PHE A 11 13.085 -0.696 0.139 1.00 0.00 C ATOM 160 CD2 PHE A 11 10.948 -1.280 -0.743 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.343 -2.026 0.407 1.00 0.00 C ATOM 162 CE2 PHE A 11 11.199 -2.612 -0.479 1.00 0.00 C ATOM 163 CZ PHE A 11 12.398 -2.987 0.098 1.00 0.00 C ATOM 0 H PHE A 11 9.195 0.923 0.083 1.00 0.00 H new ATOM 0 HA PHE A 11 11.704 1.827 1.284 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.927 1.203 -1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.537 1.623 -1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.826 0.051 0.382 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.009 -0.993 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 11 14.281 -2.315 0.857 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.459 -3.360 -0.723 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.596 -4.028 0.307 1.00 0.00 H new ATOM 173 N LYS A 12 10.901 4.218 1.093 1.00 0.00 N ATOM 174 CA LYS A 12 10.607 5.635 0.940 1.00 0.00 C ATOM 175 C LYS A 12 11.623 6.283 0.012 1.00 0.00 C ATOM 176 O LYS A 12 11.306 7.208 -0.737 1.00 0.00 O ATOM 177 CB LYS A 12 10.632 6.315 2.311 1.00 0.00 C ATOM 178 CG LYS A 12 9.981 7.684 2.336 1.00 0.00 C ATOM 179 CD LYS A 12 10.004 8.270 3.736 1.00 0.00 C ATOM 180 CE LYS A 12 9.052 9.448 3.868 1.00 0.00 C ATOM 181 NZ LYS A 12 9.349 10.524 2.886 1.00 0.00 N ATOM 0 H LYS A 12 11.190 3.952 2.034 1.00 0.00 H new ATOM 0 HA LYS A 12 9.615 5.751 0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.128 5.672 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.667 6.411 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.502 8.351 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.951 7.608 1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.732 7.500 4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.017 8.591 3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.028 9.103 3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.116 9.853 4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.767 11.359 3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.356 10.779 2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.132 10.187 1.926 1.00 0.00 H new ATOM 195 N ASP A 13 12.843 5.773 0.069 1.00 0.00 N ATOM 196 CA ASP A 13 13.934 6.240 -0.772 1.00 0.00 C ATOM 197 C ASP A 13 13.640 5.964 -2.243 1.00 0.00 C ATOM 198 O ASP A 13 14.047 6.720 -3.123 1.00 0.00 O ATOM 199 CB ASP A 13 15.230 5.534 -0.362 1.00 0.00 C ATOM 200 CG ASP A 13 15.582 5.752 1.099 1.00 0.00 C ATOM 201 OD1 ASP A 13 14.873 5.212 1.978 1.00 0.00 O ATOM 202 OD2 ASP A 13 16.578 6.449 1.378 1.00 0.00 O ATOM 0 H ASP A 13 13.106 5.019 0.704 1.00 0.00 H new ATOM 0 HA ASP A 13 14.042 7.316 -0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.132 4.465 -0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.048 5.895 -0.986 1.00 0.00 H new ATOM 207 N LYS A 14 12.915 4.879 -2.499 1.00 0.00 N ATOM 208 CA LYS A 14 12.615 4.458 -3.861 1.00 0.00 C ATOM 209 C LYS A 14 11.285 5.040 -4.334 1.00 0.00 C ATOM 210 O LYS A 14 11.237 5.799 -5.303 1.00 0.00 O ATOM 211 CB LYS A 14 12.557 2.928 -3.962 1.00 0.00 C ATOM 212 CG LYS A 14 13.908 2.220 -3.907 1.00 0.00 C ATOM 213 CD LYS A 14 14.552 2.306 -2.534 1.00 0.00 C ATOM 214 CE LYS A 14 15.798 1.436 -2.439 1.00 0.00 C ATOM 215 NZ LYS A 14 16.796 1.766 -3.492 1.00 0.00 N ATOM 0 H LYS A 14 12.524 4.274 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 14 13.416 4.831 -4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.934 2.550 -3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.063 2.660 -4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.777 1.173 -4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.576 2.661 -4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.815 3.342 -2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.833 1.996 -1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.253 1.563 -1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.514 0.387 -2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.684 1.261 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.428 1.478 -4.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.974 2.791 -3.493 1.00 0.00 H new ATOM 229 N GLY A 15 10.208 4.695 -3.637 1.00 0.00 N ATOM 230 CA GLY A 15 8.885 5.109 -4.068 1.00 0.00 C ATOM 231 C GLY A 15 7.934 3.939 -4.243 1.00 0.00 C ATOM 232 O GLY A 15 6.872 4.077 -4.855 1.00 0.00 O ATOM 0 H GLY A 15 10.227 4.137 -2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.470 5.803 -3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.967 5.650 -5.011 1.00 0.00 H new ATOM 236 N PHE A 16 8.311 2.779 -3.721 1.00 0.00 N ATOM 237 CA PHE A 16 7.442 1.612 -3.758 1.00 0.00 C ATOM 238 C PHE A 16 7.552 0.834 -2.456 1.00 0.00 C ATOM 239 O PHE A 16 8.403 1.134 -1.618 1.00 0.00 O ATOM 240 CB PHE A 16 7.763 0.705 -4.955 1.00 0.00 C ATOM 241 CG PHE A 16 9.131 0.073 -4.930 1.00 0.00 C ATOM 242 CD1 PHE A 16 9.335 -1.146 -4.300 1.00 0.00 C ATOM 243 CD2 PHE A 16 10.207 0.686 -5.553 1.00 0.00 C ATOM 244 CE1 PHE A 16 10.583 -1.738 -4.287 1.00 0.00 C ATOM 245 CE2 PHE A 16 11.458 0.098 -5.541 1.00 0.00 C ATOM 246 CZ PHE A 16 11.647 -1.114 -4.908 1.00 0.00 C ATOM 0 H PHE A 16 9.211 2.622 -3.268 1.00 0.00 H new ATOM 0 HA PHE A 16 6.417 1.963 -3.877 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.015 -0.086 -5.002 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.667 1.289 -5.870 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.507 -1.639 -3.813 1.00 0.00 H new ATOM 0 HD2 PHE A 16 10.066 1.633 -6.053 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.726 -2.687 -3.792 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.289 0.588 -6.028 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.625 -1.573 -4.898 1.00 0.00 H new ATOM 256 N GLY A 17 6.702 -0.164 -2.297 1.00 0.00 N ATOM 257 CA GLY A 17 6.681 -0.925 -1.067 1.00 0.00 C ATOM 258 C GLY A 17 5.795 -2.149 -1.158 1.00 0.00 C ATOM 259 O GLY A 17 5.423 -2.573 -2.254 1.00 0.00 O ATOM 0 H GLY A 17 6.024 -0.462 -2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.696 -1.233 -0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.332 -0.287 -0.255 1.00 0.00 H new ATOM 263 N PHE A 18 5.446 -2.702 -0.005 1.00 0.00 N ATOM 264 CA PHE A 18 4.670 -3.927 0.069 1.00 0.00 C ATOM 265 C PHE A 18 3.673 -3.833 1.214 1.00 0.00 C ATOM 266 O PHE A 18 4.029 -3.436 2.326 1.00 0.00 O ATOM 267 CB PHE A 18 5.592 -5.130 0.289 1.00 0.00 C ATOM 268 CG PHE A 18 6.634 -5.310 -0.778 1.00 0.00 C ATOM 269 CD1 PHE A 18 6.298 -5.840 -2.014 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.952 -4.948 -0.544 1.00 0.00 C ATOM 271 CE1 PHE A 18 7.257 -6.004 -2.996 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.914 -5.112 -1.522 1.00 0.00 C ATOM 273 CZ PHE A 18 8.567 -5.639 -2.749 1.00 0.00 C ATOM 0 H PHE A 18 5.694 -2.312 0.904 1.00 0.00 H new ATOM 0 HA PHE A 18 4.135 -4.060 -0.871 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.090 -5.021 1.253 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.985 -6.034 0.344 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.276 -6.128 -2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.230 -4.533 0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.983 -6.417 -3.955 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.937 -4.828 -1.326 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.318 -5.766 -3.515 1.00 0.00 H new ATOM 283 N ILE A 19 2.432 -4.195 0.945 1.00 0.00 N ATOM 284 CA ILE A 19 1.380 -4.112 1.946 1.00 0.00 C ATOM 285 C ILE A 19 0.606 -5.424 2.010 1.00 0.00 C ATOM 286 O ILE A 19 0.342 -6.051 0.981 1.00 0.00 O ATOM 287 CB ILE A 19 0.425 -2.930 1.648 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.175 -1.598 1.783 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.791 -2.955 2.565 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.338 -0.380 1.451 1.00 0.00 C ATOM 0 H ILE A 19 2.126 -4.551 0.039 1.00 0.00 H new ATOM 0 HA ILE A 19 1.844 -3.934 2.916 1.00 0.00 H new ATOM 0 HB ILE A 19 0.068 -3.033 0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.545 -1.504 2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.046 -1.616 1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.441 -2.112 2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.338 -3.887 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.466 -2.884 3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.941 0.520 1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.011 -0.448 0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.520 -0.334 2.122 1.00 0.00 H new ATOM 302 N LYS A 20 0.277 -5.840 3.223 1.00 0.00 N ATOM 303 CA LYS A 20 -0.440 -7.085 3.447 1.00 0.00 C ATOM 304 C LYS A 20 -1.916 -6.788 3.677 1.00 0.00 C ATOM 305 O LYS A 20 -2.278 -6.088 4.623 1.00 0.00 O ATOM 306 CB LYS A 20 0.181 -7.814 4.648 1.00 0.00 C ATOM 307 CG LYS A 20 -0.364 -9.211 4.925 1.00 0.00 C ATOM 308 CD LYS A 20 -1.666 -9.174 5.712 1.00 0.00 C ATOM 309 CE LYS A 20 -2.002 -10.532 6.301 1.00 0.00 C ATOM 310 NZ LYS A 20 -0.996 -10.961 7.310 1.00 0.00 N ATOM 0 H LYS A 20 0.498 -5.327 4.076 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.360 -7.732 2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.257 -7.888 4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.032 -7.202 5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.527 -9.730 3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.378 -9.785 5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.587 -8.439 6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.477 -8.849 5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.988 -10.493 6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.054 -11.272 5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.473 -11.165 8.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.510 -11.817 6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.300 -10.201 7.451 1.00 0.00 H new ATOM 324 N ASP A 21 -2.757 -7.316 2.803 1.00 0.00 N ATOM 325 CA ASP A 21 -4.191 -7.055 2.869 1.00 0.00 C ATOM 326 C ASP A 21 -4.941 -8.235 3.477 1.00 0.00 C ATOM 327 O ASP A 21 -4.339 -9.202 3.951 1.00 0.00 O ATOM 328 CB ASP A 21 -4.755 -6.759 1.479 1.00 0.00 C ATOM 329 CG ASP A 21 -4.692 -7.954 0.547 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.608 -8.239 0.006 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.736 -8.602 0.344 1.00 0.00 O ATOM 0 H ASP A 21 -2.474 -7.929 2.038 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.331 -6.183 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.791 -6.434 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.201 -5.931 1.037 1.00 0.00 H new ATOM 336 N GLU A 22 -6.267 -8.156 3.423 1.00 0.00 N ATOM 337 CA GLU A 22 -7.145 -9.131 4.059 1.00 0.00 C ATOM 338 C GLU A 22 -7.041 -10.513 3.420 1.00 0.00 C ATOM 339 O GLU A 22 -7.359 -11.520 4.057 1.00 0.00 O ATOM 340 CB GLU A 22 -8.588 -8.655 3.977 1.00 0.00 C ATOM 341 CG GLU A 22 -8.837 -7.320 4.650 1.00 0.00 C ATOM 342 CD GLU A 22 -10.283 -6.897 4.556 1.00 0.00 C ATOM 343 OE1 GLU A 22 -11.122 -7.509 5.252 1.00 0.00 O ATOM 344 OE2 GLU A 22 -10.590 -5.966 3.785 1.00 0.00 O ATOM 0 H GLU A 22 -6.764 -7.411 2.935 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.827 -9.218 5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.876 -8.581 2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.234 -9.406 4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.546 -7.383 5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.207 -6.559 4.189 1.00 0.00 H new ATOM 351 N ASN A 23 -6.604 -10.566 2.168 1.00 0.00 N ATOM 352 CA ASN A 23 -6.512 -11.836 1.452 1.00 0.00 C ATOM 353 C ASN A 23 -5.388 -12.697 2.011 1.00 0.00 C ATOM 354 O ASN A 23 -5.305 -13.891 1.724 1.00 0.00 O ATOM 355 CB ASN A 23 -6.315 -11.610 -0.051 1.00 0.00 C ATOM 356 CG ASN A 23 -7.578 -11.112 -0.733 1.00 0.00 C ATOM 357 OD1 ASN A 23 -8.385 -11.900 -1.224 1.00 0.00 O ATOM 358 ND2 ASN A 23 -7.760 -9.799 -0.768 1.00 0.00 N ATOM 0 H ASN A 23 -6.309 -9.752 1.629 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.454 -12.365 1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.513 -10.888 -0.205 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.997 -12.543 -0.517 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.592 -9.411 -1.213 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.068 -9.177 -0.350 1.00 0.00 H new ATOM 365 N GLY A 24 -4.528 -12.089 2.820 1.00 0.00 N ATOM 366 CA GLY A 24 -3.473 -12.831 3.478 1.00 0.00 C ATOM 367 C GLY A 24 -2.235 -12.971 2.623 1.00 0.00 C ATOM 368 O GLY A 24 -1.453 -13.905 2.797 1.00 0.00 O ATOM 0 H GLY A 24 -4.544 -11.091 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.211 -12.331 4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.842 -13.823 3.741 1.00 0.00 H new ATOM 372 N ASP A 25 -2.055 -12.047 1.694 1.00 0.00 N ATOM 373 CA ASP A 25 -0.881 -12.053 0.840 1.00 0.00 C ATOM 374 C ASP A 25 -0.209 -10.687 0.896 1.00 0.00 C ATOM 375 O ASP A 25 -0.656 -9.800 1.626 1.00 0.00 O ATOM 376 CB ASP A 25 -1.259 -12.406 -0.603 1.00 0.00 C ATOM 377 CG ASP A 25 -0.143 -13.130 -1.339 1.00 0.00 C ATOM 378 OD1 ASP A 25 0.966 -12.568 -1.474 1.00 0.00 O ATOM 379 OD2 ASP A 25 -0.365 -14.271 -1.788 1.00 0.00 O ATOM 0 H ASP A 25 -2.707 -11.284 1.513 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.186 -12.812 1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.152 -13.032 -0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.512 -11.493 -1.142 1.00 0.00 H new ATOM 384 N ASN A 26 0.848 -10.518 0.129 1.00 0.00 N ATOM 385 CA ASN A 26 1.605 -9.282 0.125 1.00 0.00 C ATOM 386 C ASN A 26 1.748 -8.775 -1.304 1.00 0.00 C ATOM 387 O ASN A 26 2.286 -9.467 -2.170 1.00 0.00 O ATOM 388 CB ASN A 26 2.971 -9.505 0.772 1.00 0.00 C ATOM 389 CG ASN A 26 3.807 -8.246 0.832 1.00 0.00 C ATOM 390 OD1 ASN A 26 4.594 -7.966 -0.070 1.00 0.00 O ATOM 391 ND2 ASN A 26 3.649 -7.483 1.902 1.00 0.00 N ATOM 0 H ASN A 26 1.206 -11.230 -0.507 1.00 0.00 H new ATOM 0 HA ASN A 26 1.076 -8.526 0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.830 -9.890 1.782 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.512 -10.268 0.212 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.192 -6.625 2.001 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.984 -7.753 2.627 1.00 0.00 H new ATOM 398 N ARG A 27 1.250 -7.573 -1.543 1.00 0.00 N ATOM 399 CA ARG A 27 1.164 -7.028 -2.893 1.00 0.00 C ATOM 400 C ARG A 27 2.225 -5.970 -3.126 1.00 0.00 C ATOM 401 O ARG A 27 2.691 -5.321 -2.187 1.00 0.00 O ATOM 402 CB ARG A 27 -0.227 -6.444 -3.128 1.00 0.00 C ATOM 403 CG ARG A 27 -1.334 -7.424 -2.796 1.00 0.00 C ATOM 404 CD ARG A 27 -2.710 -6.859 -3.086 1.00 0.00 C ATOM 405 NE ARG A 27 -3.749 -7.752 -2.586 1.00 0.00 N ATOM 406 CZ ARG A 27 -4.627 -8.394 -3.351 1.00 0.00 C ATOM 407 NH1 ARG A 27 -4.654 -8.193 -4.664 1.00 0.00 N ATOM 408 NH2 ARG A 27 -5.494 -9.225 -2.792 1.00 0.00 N ATOM 0 H ARG A 27 0.896 -6.951 -0.816 1.00 0.00 H new ATOM 0 HA ARG A 27 1.339 -7.838 -3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.347 -5.546 -2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.318 -6.139 -4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.191 -8.339 -3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.271 -7.697 -1.743 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.811 -5.878 -2.621 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.831 -6.717 -4.160 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.806 -7.894 -1.578 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.997 -7.541 -5.094 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.331 -8.690 -5.242 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.485 -9.368 -1.782 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.171 -9.721 -3.371 1.00 0.00 H new ATOM 422 N TYR A 28 2.603 -5.810 -4.384 1.00 0.00 N ATOM 423 CA TYR A 28 3.561 -4.795 -4.775 1.00 0.00 C ATOM 424 C TYR A 28 2.865 -3.448 -4.887 1.00 0.00 C ATOM 425 O TYR A 28 1.967 -3.263 -5.711 1.00 0.00 O ATOM 426 CB TYR A 28 4.218 -5.172 -6.106 1.00 0.00 C ATOM 427 CG TYR A 28 5.141 -4.111 -6.677 1.00 0.00 C ATOM 428 CD1 TYR A 28 6.455 -3.993 -6.239 1.00 0.00 C ATOM 429 CD2 TYR A 28 4.698 -3.241 -7.666 1.00 0.00 C ATOM 430 CE1 TYR A 28 7.300 -3.036 -6.770 1.00 0.00 C ATOM 431 CE2 TYR A 28 5.537 -2.280 -8.199 1.00 0.00 C ATOM 432 CZ TYR A 28 6.837 -2.184 -7.751 1.00 0.00 C ATOM 433 OH TYR A 28 7.675 -1.228 -8.287 1.00 0.00 O ATOM 0 H TYR A 28 2.255 -6.378 -5.157 1.00 0.00 H new ATOM 0 HA TYR A 28 4.340 -4.727 -4.015 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.785 -6.093 -5.968 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.436 -5.385 -6.835 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.822 -4.659 -5.472 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.682 -3.317 -8.024 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.318 -2.956 -6.418 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.175 -1.608 -8.963 1.00 0.00 H new ATOM 0 HH TYR A 28 7.192 -0.713 -8.966 1.00 0.00 H new ATOM 443 N PHE A 29 3.262 -2.520 -4.039 1.00 0.00 N ATOM 444 CA PHE A 29 2.703 -1.186 -4.072 1.00 0.00 C ATOM 445 C PHE A 29 3.716 -0.211 -4.629 1.00 0.00 C ATOM 446 O PHE A 29 4.923 -0.418 -4.522 1.00 0.00 O ATOM 447 CB PHE A 29 2.249 -0.741 -2.684 1.00 0.00 C ATOM 448 CG PHE A 29 0.991 -1.417 -2.218 1.00 0.00 C ATOM 449 CD1 PHE A 29 0.980 -2.767 -1.914 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.182 -0.696 -2.086 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.177 -3.386 -1.489 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.342 -1.308 -1.660 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.340 -2.655 -1.361 1.00 0.00 C ATOM 0 H PHE A 29 3.970 -2.667 -3.319 1.00 0.00 H new ATOM 0 HA PHE A 29 1.828 -1.202 -4.722 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.046 -0.942 -1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.091 0.337 -2.691 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.888 -3.343 -2.011 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.189 0.358 -2.319 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.173 -4.441 -1.257 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.251 -0.734 -1.561 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.247 -3.136 -1.027 1.00 0.00 H new ATOM 463 N HIS A 30 3.213 0.851 -5.219 1.00 0.00 N ATOM 464 CA HIS A 30 4.049 1.832 -5.879 1.00 0.00 C ATOM 465 C HIS A 30 3.374 3.198 -5.806 1.00 0.00 C ATOM 466 O HIS A 30 2.161 3.294 -5.984 1.00 0.00 O ATOM 467 CB HIS A 30 4.283 1.395 -7.331 1.00 0.00 C ATOM 468 CG HIS A 30 5.208 2.277 -8.116 1.00 0.00 C ATOM 469 ND1 HIS A 30 5.016 2.553 -9.450 1.00 0.00 N ATOM 470 CD2 HIS A 30 6.320 2.960 -7.751 1.00 0.00 C ATOM 471 CE1 HIS A 30 5.957 3.373 -9.872 1.00 0.00 C ATOM 472 NE2 HIS A 30 6.761 3.636 -8.860 1.00 0.00 N ATOM 0 H HIS A 30 2.215 1.059 -5.255 1.00 0.00 H new ATOM 0 HA HIS A 30 5.018 1.907 -5.385 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.685 0.382 -7.330 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.321 1.356 -7.842 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.774 2.970 -6.771 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.053 3.763 -10.875 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.579 4.244 -8.896 1.00 0.00 H new ATOM 481 N VAL A 31 4.166 4.235 -5.539 1.00 0.00 N ATOM 482 CA VAL A 31 3.666 5.598 -5.313 1.00 0.00 C ATOM 483 C VAL A 31 2.652 6.055 -6.374 1.00 0.00 C ATOM 484 O VAL A 31 1.732 6.811 -6.071 1.00 0.00 O ATOM 485 CB VAL A 31 4.845 6.602 -5.251 1.00 0.00 C ATOM 486 CG1 VAL A 31 5.632 6.608 -6.556 1.00 0.00 C ATOM 487 CG2 VAL A 31 4.359 8.004 -4.919 1.00 0.00 C ATOM 0 H VAL A 31 5.181 4.157 -5.472 1.00 0.00 H new ATOM 0 HA VAL A 31 3.142 5.577 -4.358 1.00 0.00 H new ATOM 0 HB VAL A 31 5.510 6.274 -4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.453 7.322 -6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.033 5.612 -6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.974 6.895 -7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.209 8.685 -4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.659 8.338 -5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.859 7.996 -3.950 1.00 0.00 H new ATOM 497 N ILE A 32 2.804 5.568 -7.600 1.00 0.00 N ATOM 498 CA ILE A 32 1.954 5.989 -8.710 1.00 0.00 C ATOM 499 C ILE A 32 0.484 5.607 -8.484 1.00 0.00 C ATOM 500 O ILE A 32 -0.426 6.264 -8.985 1.00 0.00 O ATOM 501 CB ILE A 32 2.453 5.369 -10.033 1.00 0.00 C ATOM 502 CG1 ILE A 32 1.659 5.913 -11.208 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.335 3.857 -9.992 1.00 0.00 C ATOM 504 CD1 ILE A 32 2.321 5.685 -12.546 1.00 0.00 C ATOM 0 H ILE A 32 3.511 4.878 -7.852 1.00 0.00 H new ATOM 0 HA ILE A 32 2.014 7.076 -8.768 1.00 0.00 H new ATOM 0 HB ILE A 32 3.502 5.638 -10.158 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.674 5.447 -11.216 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.505 6.983 -11.067 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.691 3.439 -10.933 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.936 3.467 -9.171 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.292 3.577 -9.843 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.696 6.100 -13.337 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.295 6.175 -12.558 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.451 4.615 -12.710 1.00 0.00 H new ATOM 516 N LYS A 33 0.266 4.546 -7.723 1.00 0.00 N ATOM 517 CA LYS A 33 -1.079 4.030 -7.483 1.00 0.00 C ATOM 518 C LYS A 33 -1.597 4.436 -6.103 1.00 0.00 C ATOM 519 O LYS A 33 -2.659 3.983 -5.672 1.00 0.00 O ATOM 520 CB LYS A 33 -1.090 2.504 -7.604 1.00 0.00 C ATOM 521 CG LYS A 33 -0.747 1.990 -8.994 1.00 0.00 C ATOM 522 CD LYS A 33 -1.723 2.505 -10.040 1.00 0.00 C ATOM 523 CE LYS A 33 -1.455 1.889 -11.405 1.00 0.00 C ATOM 524 NZ LYS A 33 -2.378 2.419 -12.445 1.00 0.00 N ATOM 0 H LYS A 33 1.006 4.021 -7.257 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.737 4.462 -8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.380 2.088 -6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.077 2.135 -7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.265 2.299 -9.257 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.757 0.900 -8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.743 2.277 -9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.646 3.590 -10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.425 2.090 -11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.563 0.806 -11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.162 1.974 -13.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.360 2.205 -12.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.257 3.449 -12.524 1.00 0.00 H new ATOM 538 N VAL A 34 -0.851 5.286 -5.417 1.00 0.00 N ATOM 539 CA VAL A 34 -1.229 5.714 -4.081 1.00 0.00 C ATOM 540 C VAL A 34 -1.733 7.152 -4.112 1.00 0.00 C ATOM 541 O VAL A 34 -1.086 8.034 -4.676 1.00 0.00 O ATOM 542 CB VAL A 34 -0.051 5.601 -3.090 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.518 5.869 -1.669 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.608 4.233 -3.186 1.00 0.00 C ATOM 0 H VAL A 34 0.018 5.693 -5.763 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.025 5.052 -3.739 1.00 0.00 H new ATOM 0 HB VAL A 34 0.689 6.355 -3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.327 5.784 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.936 6.874 -1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.281 5.141 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.435 4.177 -2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.123 3.460 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.985 4.081 -4.197 1.00 0.00 H new ATOM 554 N ALA A 35 -2.889 7.381 -3.505 1.00 0.00 N ATOM 555 CA ALA A 35 -3.505 8.699 -3.507 1.00 0.00 C ATOM 556 C ALA A 35 -2.803 9.634 -2.530 1.00 0.00 C ATOM 557 O ALA A 35 -2.678 10.835 -2.779 1.00 0.00 O ATOM 558 CB ALA A 35 -4.983 8.588 -3.168 1.00 0.00 C ATOM 0 H ALA A 35 -3.420 6.669 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.403 9.121 -4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.433 9.581 -3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.480 7.961 -3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.097 8.143 -2.180 1.00 0.00 H new ATOM 564 N ASN A 36 -2.348 9.077 -1.417 1.00 0.00 N ATOM 565 CA ASN A 36 -1.662 9.857 -0.393 1.00 0.00 C ATOM 566 C ASN A 36 -0.445 9.100 0.152 1.00 0.00 C ATOM 567 O ASN A 36 -0.428 8.654 1.300 1.00 0.00 O ATOM 568 CB ASN A 36 -2.640 10.242 0.736 1.00 0.00 C ATOM 569 CG ASN A 36 -3.343 9.050 1.378 1.00 0.00 C ATOM 570 OD1 ASN A 36 -3.448 7.973 0.792 1.00 0.00 O ATOM 571 ND2 ASN A 36 -3.869 9.249 2.576 1.00 0.00 N ATOM 0 H ASN A 36 -2.441 8.085 -1.198 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.295 10.777 -0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.094 10.787 1.506 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.392 10.922 0.336 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.379 8.498 3.040 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.764 10.154 3.035 1.00 0.00 H new ATOM 578 N PRO A 37 0.611 8.967 -0.673 1.00 0.00 N ATOM 579 CA PRO A 37 1.816 8.204 -0.315 1.00 0.00 C ATOM 580 C PRO A 37 2.686 8.941 0.694 1.00 0.00 C ATOM 581 O PRO A 37 3.627 8.384 1.256 1.00 0.00 O ATOM 582 CB PRO A 37 2.548 8.069 -1.648 1.00 0.00 C ATOM 583 CG PRO A 37 2.146 9.280 -2.416 1.00 0.00 C ATOM 584 CD PRO A 37 0.721 9.561 -2.022 1.00 0.00 C ATOM 0 HA PRO A 37 1.575 7.252 0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.628 8.029 -1.506 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.261 7.155 -2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.791 10.126 -2.179 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.228 9.108 -3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.512 10.631 -2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.015 9.108 -2.719 1.00 0.00 H new ATOM 592 N ASP A 38 2.355 10.202 0.912 1.00 0.00 N ATOM 593 CA ASP A 38 3.084 11.046 1.849 1.00 0.00 C ATOM 594 C ASP A 38 2.842 10.589 3.282 1.00 0.00 C ATOM 595 O ASP A 38 3.677 10.794 4.163 1.00 0.00 O ATOM 596 CB ASP A 38 2.637 12.498 1.679 1.00 0.00 C ATOM 597 CG ASP A 38 3.395 13.462 2.570 1.00 0.00 C ATOM 598 OD1 ASP A 38 4.493 13.907 2.168 1.00 0.00 O ATOM 599 OD2 ASP A 38 2.884 13.805 3.655 1.00 0.00 O ATOM 0 H ASP A 38 1.577 10.670 0.448 1.00 0.00 H new ATOM 0 HA ASP A 38 4.151 10.967 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.770 12.793 0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.572 12.572 1.897 1.00 0.00 H new ATOM 604 N LEU A 39 1.708 9.934 3.491 1.00 0.00 N ATOM 605 CA LEU A 39 1.265 9.558 4.819 1.00 0.00 C ATOM 606 C LEU A 39 1.526 8.082 5.084 1.00 0.00 C ATOM 607 O LEU A 39 1.084 7.532 6.092 1.00 0.00 O ATOM 608 CB LEU A 39 -0.227 9.857 4.957 1.00 0.00 C ATOM 609 CG LEU A 39 -0.615 11.332 4.841 1.00 0.00 C ATOM 610 CD1 LEU A 39 -2.122 11.497 4.972 1.00 0.00 C ATOM 611 CD2 LEU A 39 0.111 12.157 5.896 1.00 0.00 C ATOM 0 H LEU A 39 1.073 9.651 2.744 1.00 0.00 H new ATOM 0 HA LEU A 39 1.827 10.137 5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.765 9.296 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.567 9.485 5.923 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.316 11.694 3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.381 12.552 4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.620 10.936 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.446 11.121 5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.176 13.204 5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.158 11.796 6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.188 12.061 5.755 1.00 0.00 H new ATOM 623 N ILE A 40 2.248 7.452 4.174 1.00 0.00 N ATOM 624 CA ILE A 40 2.536 6.033 4.277 1.00 0.00 C ATOM 625 C ILE A 40 3.608 5.762 5.327 1.00 0.00 C ATOM 626 O ILE A 40 4.704 6.321 5.275 1.00 0.00 O ATOM 627 CB ILE A 40 2.982 5.452 2.915 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.803 5.419 1.940 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.571 4.058 3.085 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.145 4.821 0.591 1.00 0.00 C ATOM 0 H ILE A 40 2.647 7.904 3.351 1.00 0.00 H new ATOM 0 HA ILE A 40 1.613 5.540 4.583 1.00 0.00 H new ATOM 0 HB ILE A 40 3.757 6.099 2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.990 4.846 2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.435 6.435 1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.877 3.671 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.437 4.107 3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.821 3.397 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.261 4.831 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.936 5.407 0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.485 3.794 0.724 1.00 0.00 H new ATOM 642 N LYS A 41 3.269 4.914 6.286 1.00 0.00 N ATOM 643 CA LYS A 41 4.201 4.497 7.319 1.00 0.00 C ATOM 644 C LYS A 41 3.954 3.043 7.692 1.00 0.00 C ATOM 645 O LYS A 41 2.902 2.484 7.382 1.00 0.00 O ATOM 646 CB LYS A 41 4.079 5.381 8.562 1.00 0.00 C ATOM 647 CG LYS A 41 2.653 5.544 9.066 1.00 0.00 C ATOM 648 CD LYS A 41 2.617 5.997 10.517 1.00 0.00 C ATOM 649 CE LYS A 41 3.397 7.284 10.737 1.00 0.00 C ATOM 650 NZ LYS A 41 3.442 7.658 12.174 1.00 0.00 N ATOM 0 H LYS A 41 2.342 4.497 6.369 1.00 0.00 H new ATOM 0 HA LYS A 41 5.211 4.601 6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.689 4.956 9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.489 6.366 8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.128 6.270 8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.122 4.597 8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.582 6.145 10.824 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.029 5.212 11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.413 7.163 10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.938 8.090 10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.982 8.540 12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.474 7.797 12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.902 6.899 12.716 1.00 0.00 H new ATOM 664 N LYS A 42 4.923 2.439 8.363 1.00 0.00 N ATOM 665 CA LYS A 42 4.818 1.046 8.768 1.00 0.00 C ATOM 666 C LYS A 42 3.818 0.922 9.912 1.00 0.00 C ATOM 667 O LYS A 42 3.766 1.788 10.787 1.00 0.00 O ATOM 668 CB LYS A 42 6.206 0.518 9.177 1.00 0.00 C ATOM 669 CG LYS A 42 6.271 -0.976 9.490 1.00 0.00 C ATOM 670 CD LYS A 42 5.866 -1.284 10.925 1.00 0.00 C ATOM 671 CE LYS A 42 6.100 -2.746 11.281 1.00 0.00 C ATOM 672 NZ LYS A 42 7.526 -3.132 11.126 1.00 0.00 N ATOM 0 H LYS A 42 5.793 2.894 8.639 1.00 0.00 H new ATOM 0 HA LYS A 42 4.459 0.443 7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.910 0.735 8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.543 1.071 10.054 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.617 -1.517 8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.284 -1.338 9.315 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.433 -0.649 11.606 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.813 -1.041 11.065 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.785 -2.924 12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.481 -3.378 10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.711 -4.002 11.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.734 -3.297 10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.133 -2.367 11.484 1.00 0.00 H new ATOM 686 N ASP A 43 3.016 -0.146 9.873 1.00 0.00 N ATOM 687 CA ASP A 43 2.029 -0.446 10.922 1.00 0.00 C ATOM 688 C ASP A 43 0.813 0.485 10.812 1.00 0.00 C ATOM 689 O ASP A 43 0.030 0.638 11.753 1.00 0.00 O ATOM 690 CB ASP A 43 2.673 -0.368 12.320 1.00 0.00 C ATOM 691 CG ASP A 43 1.761 -0.868 13.423 1.00 0.00 C ATOM 692 OD1 ASP A 43 1.262 -2.010 13.316 1.00 0.00 O ATOM 693 OD2 ASP A 43 1.544 -0.123 14.403 1.00 0.00 O ATOM 0 H ASP A 43 3.030 -0.828 9.115 1.00 0.00 H new ATOM 0 HA ASP A 43 1.677 -1.467 10.777 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.592 -0.954 12.323 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.952 0.665 12.528 1.00 0.00 H new ATOM 698 N ALA A 44 0.649 1.093 9.647 1.00 0.00 N ATOM 699 CA ALA A 44 -0.518 1.919 9.373 1.00 0.00 C ATOM 700 C ALA A 44 -1.527 1.145 8.534 1.00 0.00 C ATOM 701 O ALA A 44 -1.149 0.274 7.742 1.00 0.00 O ATOM 702 CB ALA A 44 -0.107 3.202 8.662 1.00 0.00 C ATOM 0 H ALA A 44 1.311 1.030 8.874 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.986 2.186 10.321 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.991 3.808 8.465 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.583 3.762 9.293 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.381 2.955 7.719 1.00 0.00 H new ATOM 708 N ALA A 45 -2.804 1.449 8.715 1.00 0.00 N ATOM 709 CA ALA A 45 -3.854 0.793 7.958 1.00 0.00 C ATOM 710 C ALA A 45 -4.193 1.604 6.717 1.00 0.00 C ATOM 711 O ALA A 45 -4.274 2.832 6.770 1.00 0.00 O ATOM 712 CB ALA A 45 -5.091 0.600 8.822 1.00 0.00 C ATOM 0 H ALA A 45 -3.136 2.147 9.381 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.497 -0.188 7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.869 0.107 8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.839 -0.016 9.685 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.453 1.571 9.162 1.00 0.00 H new ATOM 718 N VAL A 46 -4.374 0.922 5.599 1.00 0.00 N ATOM 719 CA VAL A 46 -4.711 1.585 4.349 1.00 0.00 C ATOM 720 C VAL A 46 -5.872 0.888 3.655 1.00 0.00 C ATOM 721 O VAL A 46 -6.034 -0.326 3.762 1.00 0.00 O ATOM 722 CB VAL A 46 -3.509 1.637 3.380 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.443 2.588 3.892 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.924 0.250 3.166 1.00 0.00 C ATOM 0 H VAL A 46 -4.293 -0.092 5.530 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.997 2.604 4.608 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.869 2.009 2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.607 2.608 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.863 3.590 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.093 2.251 4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.079 0.313 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.587 -0.154 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.686 -0.405 2.744 1.00 0.00 H new ATOM 734 N THR A 47 -6.676 1.664 2.955 1.00 0.00 N ATOM 735 CA THR A 47 -7.771 1.126 2.170 1.00 0.00 C ATOM 736 C THR A 47 -7.477 1.305 0.687 1.00 0.00 C ATOM 737 O THR A 47 -7.024 2.372 0.265 1.00 0.00 O ATOM 738 CB THR A 47 -9.108 1.808 2.520 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.969 3.233 2.435 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.567 1.414 3.918 1.00 0.00 C ATOM 0 H THR A 47 -6.590 2.680 2.914 1.00 0.00 H new ATOM 0 HA THR A 47 -7.863 0.065 2.405 1.00 0.00 H new ATOM 0 HB THR A 47 -9.860 1.476 1.804 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.823 3.659 2.657 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.513 1.907 4.143 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.701 0.333 3.966 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.816 1.719 4.647 1.00 0.00 H new ATOM 748 N PHE A 48 -7.719 0.264 -0.096 1.00 0.00 N ATOM 749 CA PHE A 48 -7.367 0.279 -1.509 1.00 0.00 C ATOM 750 C PHE A 48 -8.217 -0.702 -2.301 1.00 0.00 C ATOM 751 O PHE A 48 -8.978 -1.489 -1.730 1.00 0.00 O ATOM 752 CB PHE A 48 -5.883 -0.068 -1.682 1.00 0.00 C ATOM 753 CG PHE A 48 -5.440 -1.257 -0.868 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.847 -2.539 -1.201 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.614 -1.087 0.232 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.443 -3.626 -0.452 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.206 -2.172 0.983 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.621 -3.442 0.640 1.00 0.00 C ATOM 0 H PHE A 48 -8.157 -0.601 0.222 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.557 1.282 -1.892 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.686 -0.266 -2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.282 0.797 -1.402 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.488 -2.690 -2.057 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.286 -0.095 0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.770 -4.619 -0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.563 -2.026 1.838 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.303 -4.291 1.226 1.00 0.00 H new ATOM 768 N GLU A 49 -8.076 -0.652 -3.615 1.00 0.00 N ATOM 769 CA GLU A 49 -8.749 -1.593 -4.491 1.00 0.00 C ATOM 770 C GLU A 49 -7.788 -2.726 -4.840 1.00 0.00 C ATOM 771 O GLU A 49 -6.599 -2.487 -5.059 1.00 0.00 O ATOM 772 CB GLU A 49 -9.196 -0.897 -5.777 1.00 0.00 C ATOM 773 CG GLU A 49 -10.014 0.366 -5.555 1.00 0.00 C ATOM 774 CD GLU A 49 -11.373 0.093 -4.948 1.00 0.00 C ATOM 775 OE1 GLU A 49 -12.216 -0.522 -5.631 1.00 0.00 O ATOM 776 OE2 GLU A 49 -11.613 0.508 -3.795 1.00 0.00 O ATOM 0 H GLU A 49 -7.498 0.035 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.627 -1.989 -3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.314 -0.645 -6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.785 -1.597 -6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.460 1.041 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.144 0.880 -6.508 1.00 0.00 H new ATOM 783 N PRO A 50 -8.280 -3.966 -4.923 1.00 0.00 N ATOM 784 CA PRO A 50 -7.459 -5.120 -5.255 1.00 0.00 C ATOM 785 C PRO A 50 -7.388 -5.362 -6.759 1.00 0.00 C ATOM 786 O PRO A 50 -8.402 -5.288 -7.458 1.00 0.00 O ATOM 787 CB PRO A 50 -8.180 -6.284 -4.560 1.00 0.00 C ATOM 788 CG PRO A 50 -9.505 -5.745 -4.090 1.00 0.00 C ATOM 789 CD PRO A 50 -9.665 -4.366 -4.675 1.00 0.00 C ATOM 0 HA PRO A 50 -6.425 -4.991 -4.935 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.322 -7.118 -5.247 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.594 -6.658 -3.721 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.319 -6.395 -4.411 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.539 -5.706 -3.001 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.254 -4.380 -5.592 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.166 -3.688 -3.984 1.00 0.00 H new ATOM 797 N THR A 51 -6.193 -5.654 -7.258 1.00 0.00 N ATOM 798 CA THR A 51 -6.012 -5.919 -8.674 1.00 0.00 C ATOM 799 C THR A 51 -4.813 -6.830 -8.887 1.00 0.00 C ATOM 800 O THR A 51 -4.193 -7.303 -7.927 1.00 0.00 O ATOM 801 CB THR A 51 -5.823 -4.603 -9.473 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.873 -4.858 -10.884 1.00 0.00 O ATOM 803 CG2 THR A 51 -4.498 -3.933 -9.133 1.00 0.00 C ATOM 0 H THR A 51 -5.339 -5.712 -6.703 1.00 0.00 H new ATOM 0 HA THR A 51 -6.912 -6.414 -9.041 1.00 0.00 H new ATOM 0 HB THR A 51 -6.637 -3.934 -9.193 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.754 -4.017 -11.373 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.397 -3.014 -9.710 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.471 -3.699 -8.069 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.677 -4.607 -9.377 1.00 0.00 H new ATOM 811 N THR A 52 -4.509 -7.094 -10.138 1.00 0.00 N ATOM 812 CA THR A 52 -3.318 -7.829 -10.486 1.00 0.00 C ATOM 813 C THR A 52 -2.538 -7.049 -11.529 1.00 0.00 C ATOM 814 O THR A 52 -3.119 -6.424 -12.419 1.00 0.00 O ATOM 815 CB THR A 52 -3.646 -9.226 -11.029 1.00 0.00 C ATOM 816 OG1 THR A 52 -4.809 -9.743 -10.362 1.00 0.00 O ATOM 817 CG2 THR A 52 -2.476 -10.178 -10.815 1.00 0.00 C ATOM 0 H THR A 52 -5.076 -6.807 -10.936 1.00 0.00 H new ATOM 0 HA THR A 52 -2.723 -7.957 -9.582 1.00 0.00 H new ATOM 0 HB THR A 52 -3.838 -9.143 -12.099 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.017 -10.634 -10.712 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.731 -11.162 -11.208 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.597 -9.797 -11.335 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.261 -10.257 -9.749 1.00 0.00 H new ATOM 825 N ASN A 53 -1.235 -7.091 -11.409 1.00 0.00 N ATOM 826 CA ASN A 53 -0.346 -6.347 -12.278 1.00 0.00 C ATOM 827 C ASN A 53 0.308 -7.310 -13.249 1.00 0.00 C ATOM 828 O ASN A 53 0.195 -8.528 -13.089 1.00 0.00 O ATOM 829 CB ASN A 53 0.717 -5.627 -11.449 1.00 0.00 C ATOM 830 CG ASN A 53 1.404 -4.537 -12.232 1.00 0.00 C ATOM 831 OD1 ASN A 53 2.469 -4.747 -12.812 1.00 0.00 O ATOM 832 ND2 ASN A 53 0.781 -3.374 -12.271 1.00 0.00 N ATOM 0 H ASN A 53 -0.753 -7.646 -10.701 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.913 -5.599 -12.832 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.254 -5.198 -10.560 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.458 -6.348 -11.105 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.181 -2.599 -12.799 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.100 -3.251 -11.773 1.00 0.00 H new ATOM 839 N ASN A 54 0.994 -6.779 -14.244 1.00 0.00 N ATOM 840 CA ASN A 54 1.684 -7.611 -15.215 1.00 0.00 C ATOM 841 C ASN A 54 2.752 -8.462 -14.535 1.00 0.00 C ATOM 842 O ASN A 54 2.987 -9.608 -14.921 1.00 0.00 O ATOM 843 CB ASN A 54 2.322 -6.745 -16.304 1.00 0.00 C ATOM 844 CG ASN A 54 3.013 -7.568 -17.378 1.00 0.00 C ATOM 845 OD1 ASN A 54 4.200 -7.883 -17.277 1.00 0.00 O ATOM 846 ND2 ASN A 54 2.274 -7.919 -18.419 1.00 0.00 N ATOM 0 H ASN A 54 1.089 -5.776 -14.402 1.00 0.00 H new ATOM 0 HA ASN A 54 0.951 -8.274 -15.675 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.554 -6.125 -16.766 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.046 -6.070 -15.848 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.684 -8.469 -19.173 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.294 -7.639 -18.467 1.00 0.00 H new ATOM 853 N LYS A 55 3.364 -7.917 -13.490 1.00 0.00 N ATOM 854 CA LYS A 55 4.503 -8.572 -12.866 1.00 0.00 C ATOM 855 C LYS A 55 4.243 -8.912 -11.394 1.00 0.00 C ATOM 856 O LYS A 55 5.183 -9.018 -10.604 1.00 0.00 O ATOM 857 CB LYS A 55 5.735 -7.672 -12.993 1.00 0.00 C ATOM 858 CG LYS A 55 7.014 -8.436 -13.296 1.00 0.00 C ATOM 859 CD LYS A 55 6.929 -9.152 -14.635 1.00 0.00 C ATOM 860 CE LYS A 55 8.198 -9.928 -14.940 1.00 0.00 C ATOM 861 NZ LYS A 55 8.456 -10.989 -13.933 1.00 0.00 N ATOM 0 H LYS A 55 3.093 -7.032 -13.062 1.00 0.00 H new ATOM 0 HA LYS A 55 4.674 -9.516 -13.384 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.562 -6.941 -13.783 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.865 -7.114 -12.066 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.858 -7.747 -13.303 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.202 -9.162 -12.505 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.078 -9.834 -14.630 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.749 -8.424 -15.426 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.119 -10.379 -15.929 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.045 -9.242 -14.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.194 -11.631 -14.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.773 -10.554 -13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.582 -11.526 -13.763 1.00 0.00 H new ATOM 875 N GLY A 56 2.978 -9.104 -11.026 1.00 0.00 N ATOM 876 CA GLY A 56 2.658 -9.499 -9.661 1.00 0.00 C ATOM 877 C GLY A 56 1.303 -8.990 -9.207 1.00 0.00 C ATOM 878 O GLY A 56 0.624 -8.292 -9.948 1.00 0.00 O ATOM 0 H GLY A 56 2.173 -8.994 -11.643 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.676 -10.586 -9.588 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.428 -9.121 -8.988 1.00 0.00 H new ATOM 882 N LEU A 57 0.894 -9.368 -8.003 1.00 0.00 N ATOM 883 CA LEU A 57 -0.348 -8.880 -7.421 1.00 0.00 C ATOM 884 C LEU A 57 -0.148 -7.477 -6.854 1.00 0.00 C ATOM 885 O LEU A 57 0.915 -7.171 -6.309 1.00 0.00 O ATOM 886 CB LEU A 57 -0.818 -9.834 -6.327 1.00 0.00 C ATOM 887 CG LEU A 57 -0.958 -11.291 -6.765 1.00 0.00 C ATOM 888 CD1 LEU A 57 0.310 -12.072 -6.458 1.00 0.00 C ATOM 889 CD2 LEU A 57 -2.165 -11.934 -6.099 1.00 0.00 C ATOM 0 H LEU A 57 1.409 -10.016 -7.407 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.111 -8.833 -8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.115 -9.785 -5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.781 -9.488 -5.952 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.112 -11.311 -7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.187 -13.106 -6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.150 -11.625 -6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.503 -12.045 -5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.249 -12.971 -6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.044 -11.900 -5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.068 -11.392 -6.380 1.00 0.00 H new ATOM 901 N SER A 58 -1.165 -6.629 -6.973 1.00 0.00 N ATOM 902 CA SER A 58 -1.017 -5.233 -6.612 1.00 0.00 C ATOM 903 C SER A 58 -2.340 -4.633 -6.164 1.00 0.00 C ATOM 904 O SER A 58 -3.395 -5.267 -6.259 1.00 0.00 O ATOM 905 CB SER A 58 -0.464 -4.442 -7.795 1.00 0.00 C ATOM 906 OG SER A 58 -0.995 -4.933 -9.013 1.00 0.00 O ATOM 0 H SER A 58 -2.091 -6.886 -7.314 1.00 0.00 H new ATOM 0 HA SER A 58 -0.318 -5.175 -5.777 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.713 -3.387 -7.682 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.624 -4.513 -7.811 1.00 0.00 H new ATOM 0 HG SER A 58 -1.214 -4.180 -9.601 1.00 0.00 H new ATOM 912 N ALA A 59 -2.267 -3.432 -5.628 1.00 0.00 N ATOM 913 CA ALA A 59 -3.455 -2.692 -5.245 1.00 0.00 C ATOM 914 C ALA A 59 -3.327 -1.237 -5.672 1.00 0.00 C ATOM 915 O ALA A 59 -2.223 -0.693 -5.715 1.00 0.00 O ATOM 916 CB ALA A 59 -3.680 -2.799 -3.749 1.00 0.00 C ATOM 0 H ALA A 59 -1.390 -2.943 -5.446 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.319 -3.122 -5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.574 -2.239 -3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.808 -3.846 -3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.819 -2.389 -3.221 1.00 0.00 H new ATOM 922 N TYR A 60 -4.450 -0.611 -5.995 1.00 0.00 N ATOM 923 CA TYR A 60 -4.441 0.777 -6.432 1.00 0.00 C ATOM 924 C TYR A 60 -5.464 1.588 -5.662 1.00 0.00 C ATOM 925 O TYR A 60 -6.205 1.041 -4.841 1.00 0.00 O ATOM 926 CB TYR A 60 -4.701 0.899 -7.940 1.00 0.00 C ATOM 927 CG TYR A 60 -6.035 0.346 -8.408 1.00 0.00 C ATOM 928 CD1 TYR A 60 -6.233 -1.020 -8.568 1.00 0.00 C ATOM 929 CD2 TYR A 60 -7.093 1.197 -8.707 1.00 0.00 C ATOM 930 CE1 TYR A 60 -7.442 -1.521 -9.009 1.00 0.00 C ATOM 931 CE2 TYR A 60 -8.307 0.702 -9.147 1.00 0.00 C ATOM 932 CZ TYR A 60 -8.476 -0.658 -9.296 1.00 0.00 C ATOM 933 OH TYR A 60 -9.680 -1.154 -9.740 1.00 0.00 O ATOM 0 H TYR A 60 -5.375 -1.040 -5.963 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.446 1.174 -6.229 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.643 1.951 -8.220 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.903 0.383 -8.474 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.427 -1.702 -8.343 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.965 2.263 -8.594 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.576 -2.586 -9.128 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.119 1.378 -9.373 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.302 -0.413 -9.895 1.00 0.00 H new ATOM 943 N ALA A 61 -5.500 2.886 -5.947 1.00 0.00 N ATOM 944 CA ALA A 61 -6.355 3.821 -5.222 1.00 0.00 C ATOM 945 C ALA A 61 -6.035 3.766 -3.732 1.00 0.00 C ATOM 946 O ALA A 61 -6.916 3.918 -2.884 1.00 0.00 O ATOM 947 CB ALA A 61 -7.826 3.511 -5.476 1.00 0.00 C ATOM 0 H ALA A 61 -4.941 3.318 -6.683 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.161 4.831 -5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.447 4.219 -4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.037 3.594 -6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.047 2.498 -5.141 1.00 0.00 H new ATOM 953 N VAL A 62 -4.758 3.569 -3.432 1.00 0.00 N ATOM 954 CA VAL A 62 -4.308 3.369 -2.062 1.00 0.00 C ATOM 955 C VAL A 62 -4.481 4.634 -1.231 1.00 0.00 C ATOM 956 O VAL A 62 -3.818 5.647 -1.469 1.00 0.00 O ATOM 957 CB VAL A 62 -2.831 2.929 -2.015 1.00 0.00 C ATOM 958 CG1 VAL A 62 -2.418 2.568 -0.596 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.593 1.761 -2.959 1.00 0.00 C ATOM 0 H VAL A 62 -4.011 3.543 -4.126 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.928 2.579 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.215 3.766 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.372 2.261 -0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.546 3.435 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.039 1.749 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.545 1.464 -2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.222 0.921 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.841 2.060 -3.977 1.00 0.00 H new ATOM 969 N LYS A 63 -5.389 4.571 -0.275 1.00 0.00 N ATOM 970 CA LYS A 63 -5.628 5.670 0.635 1.00 0.00 C ATOM 971 C LYS A 63 -5.248 5.279 2.053 1.00 0.00 C ATOM 972 O LYS A 63 -5.821 4.351 2.630 1.00 0.00 O ATOM 973 CB LYS A 63 -7.095 6.076 0.579 1.00 0.00 C ATOM 974 CG LYS A 63 -7.450 6.891 -0.654 1.00 0.00 C ATOM 975 CD LYS A 63 -8.943 6.855 -0.943 1.00 0.00 C ATOM 976 CE LYS A 63 -9.384 5.481 -1.421 1.00 0.00 C ATOM 977 NZ LYS A 63 -10.858 5.400 -1.609 1.00 0.00 N ATOM 0 H LYS A 63 -5.980 3.756 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.010 6.516 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.714 5.179 0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.338 6.655 1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.132 7.924 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.904 6.505 -1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.496 7.123 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.186 7.600 -1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.886 5.248 -2.362 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.069 4.728 -0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.114 4.446 -1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.334 5.597 -0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.157 6.100 -2.318 1.00 0.00 H new ATOM 991 N VAL A 64 -4.268 5.979 2.593 1.00 0.00 N ATOM 992 CA VAL A 64 -3.801 5.739 3.949 1.00 0.00 C ATOM 993 C VAL A 64 -4.844 6.199 4.957 1.00 0.00 C ATOM 994 O VAL A 64 -5.450 7.262 4.795 1.00 0.00 O ATOM 995 CB VAL A 64 -2.465 6.466 4.223 1.00 0.00 C ATOM 996 CG1 VAL A 64 -1.926 6.124 5.605 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.445 6.125 3.150 1.00 0.00 C ATOM 0 H VAL A 64 -3.774 6.728 2.108 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.638 4.666 4.055 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.653 7.539 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.986 6.650 5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.649 6.427 6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.757 5.049 5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.510 6.645 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.268 5.049 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.824 6.435 2.176 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.058 5.392 5.985 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.031 5.706 7.018 1.00 0.00 C ATOM 1009 C VAL A 65 -5.341 5.894 8.370 1.00 0.00 C ATOM 1010 O VAL A 65 -5.205 4.947 9.147 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.104 4.600 7.132 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.126 4.931 8.208 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.792 4.375 5.794 1.00 0.00 C ATOM 0 H VAL A 65 -4.567 4.509 6.126 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.521 6.637 6.734 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.599 3.678 7.420 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.867 4.134 8.263 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.623 5.027 9.170 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.621 5.870 7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.543 3.592 5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.273 5.299 5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.054 4.073 5.051 1.00 0.00 H new ATOM 1023 N PRO A 66 -4.852 7.114 8.648 1.00 0.00 N ATOM 1024 CA PRO A 66 -4.211 7.452 9.921 1.00 0.00 C ATOM 1025 C PRO A 66 -5.238 7.718 11.015 1.00 0.00 C ATOM 1026 O PRO A 66 -6.430 7.455 10.840 1.00 0.00 O ATOM 1027 CB PRO A 66 -3.419 8.734 9.601 1.00 0.00 C ATOM 1028 CG PRO A 66 -3.608 8.985 8.138 1.00 0.00 C ATOM 1029 CD PRO A 66 -4.867 8.267 7.750 1.00 0.00 C ATOM 0 HA PRO A 66 -3.587 6.641 10.296 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.784 9.575 10.191 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.363 8.610 9.842 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.690 10.053 7.933 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.757 8.615 7.566 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.751 8.887 7.897 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.859 7.967 6.702 1.00 0.00 H new