USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 517 hydrogens (19 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 NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 801 ZNZN :(H bumps) USER MOD NoAdj-H: C 4 MLY H2 : C 4 MLY N : C 3 THR C :(H bumps) USER MOD NoAdj-H: C 4 MLY H : C 4 MLY N : C 3 THR C :(H bumps) USER MOD Set 1.1: A 47 THR OG1 : rot 81:sc= 0.418 USER MOD Set 1.2: A 52 GLN : amide:sc= 1.21 K(o=1.6,f=0.96) USER MOD Set 2.1: A 28 CYS SG : rot -102:sc= -1.07! USER MOD Set 2.2: A 30 GLN : amide:sc= -2.5! K(o=-3.3!,f=-6.9) USER MOD Set 2.3: A 46 TYR OH : rot -164:sc= 0.239 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -3 GLY N :NH3+ -112:sc= 0.0407 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0.0677 K(o=0.068,f=-0.69) USER MOD Single : A 17 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.22) USER MOD Single : A 20 MET CE :methyl 139:sc= -2.05 (180deg=-6.8!) USER MOD Single : A 22 GLN : amide:sc= 2.53 K(o=2.5,f=-4.9!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -148:sc= -0.548 (180deg=-1.24) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= 1.25 (180deg=0.491) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 ALA N :NH3+ -173:sc= 0.675 (180deg=0.634) USER MOD Single : C 3 THR OG1 : rot 180:sc= 0 USER MOD Single : C 5 GLN : amide:sc= 1.17 K(o=1.2,f=-7.1!) USER MOD Single : C 6 THR OG1 : rot 180:sc=-0.00465 USER MOD Single : C 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 10 SER OG : rot 180:sc= 0 USER MOD Single : C 11 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 8.151 0.056 4.783 1.00 0.00 N ATOM 2 CA GLY A -3 8.821 -1.268 4.747 1.00 0.00 C ATOM 3 C GLY A -3 10.149 -1.225 4.001 1.00 0.00 C ATOM 4 O GLY A -3 10.375 -0.346 3.167 1.00 0.00 O ATOM 0 H1 GLY A -3 8.146 0.416 5.759 1.00 0.00 H new ATOM 0 H2 GLY A -3 8.664 0.722 4.171 1.00 0.00 H new ATOM 0 H3 GLY A -3 7.172 -0.041 4.445 1.00 0.00 H new ATOM 0 HA2 GLY A -3 8.991 -1.614 5.766 1.00 0.00 H new ATOM 0 HA3 GLY A -3 8.162 -1.993 4.269 1.00 0.00 H new ATOM 10 N HIS A -2 11.044 -2.177 4.280 1.00 0.00 N ATOM 11 CA HIS A -2 12.417 -2.253 3.731 1.00 0.00 C ATOM 12 C HIS A -2 12.464 -2.806 2.287 1.00 0.00 C ATOM 13 O HIS A -2 13.060 -3.852 2.018 1.00 0.00 O ATOM 14 CB HIS A -2 13.311 -3.035 4.710 1.00 0.00 C ATOM 15 CG HIS A -2 13.343 -2.454 6.107 1.00 0.00 C ATOM 16 ND1 HIS A -2 13.891 -1.217 6.463 1.00 0.00 N ATOM 17 CD2 HIS A -2 12.840 -3.051 7.227 1.00 0.00 C ATOM 18 CE1 HIS A -2 13.707 -1.099 7.791 1.00 0.00 C ATOM 19 NE2 HIS A -2 13.076 -2.184 8.274 1.00 0.00 N ATOM 0 H HIS A -2 10.833 -2.947 4.916 1.00 0.00 H new ATOM 0 HA HIS A -2 12.810 -1.240 3.640 1.00 0.00 H new ATOM 0 HB2 HIS A -2 12.960 -4.066 4.763 1.00 0.00 H new ATOM 0 HB3 HIS A -2 14.327 -3.064 4.316 1.00 0.00 H new ATOM 0 HD2 HIS A -2 12.353 -4.013 7.283 1.00 0.00 H new ATOM 0 HE1 HIS A -2 14.021 -0.253 8.384 1.00 0.00 H new ATOM 0 HE2 HIS A -2 12.816 -2.339 9.248 1.00 0.00 H new ATOM 27 N MET A -1 11.801 -2.116 1.351 1.00 0.00 N ATOM 28 CA MET A -1 11.682 -2.526 -0.061 1.00 0.00 C ATOM 29 C MET A -1 13.004 -2.505 -0.842 1.00 0.00 C ATOM 30 O MET A -1 13.213 -3.300 -1.758 1.00 0.00 O ATOM 31 CB MET A -1 10.684 -1.588 -0.772 1.00 0.00 C ATOM 32 CG MET A -1 10.976 -0.083 -0.676 1.00 0.00 C ATOM 33 SD MET A -1 9.752 0.948 -1.527 1.00 0.00 S ATOM 34 CE MET A -1 10.499 2.584 -1.281 1.00 0.00 C ATOM 0 H MET A -1 11.321 -1.239 1.554 1.00 0.00 H new ATOM 0 HA MET A -1 11.342 -3.562 -0.047 1.00 0.00 H new ATOM 0 HB2 MET A -1 10.648 -1.863 -1.826 1.00 0.00 H new ATOM 0 HB3 MET A -1 9.691 -1.771 -0.361 1.00 0.00 H new ATOM 0 HG2 MET A -1 11.014 0.205 0.375 1.00 0.00 H new ATOM 0 HG3 MET A -1 11.962 0.115 -1.097 1.00 0.00 H new ATOM 0 HE1 MET A -1 9.871 3.344 -1.746 1.00 0.00 H new ATOM 0 HE2 MET A -1 10.586 2.788 -0.214 1.00 0.00 H new ATOM 0 HE3 MET A -1 11.489 2.604 -1.736 1.00 0.00 H new ATOM 44 N ASP A 0 13.870 -1.550 -0.508 1.00 0.00 N ATOM 45 CA ASP A 0 15.109 -1.165 -1.211 1.00 0.00 C ATOM 46 C ASP A 0 15.004 -0.894 -2.719 1.00 0.00 C ATOM 47 O ASP A 0 16.010 -0.740 -3.404 1.00 0.00 O ATOM 48 CB ASP A 0 16.252 -2.144 -0.927 1.00 0.00 C ATOM 49 CG ASP A 0 16.766 -2.157 0.526 1.00 0.00 C ATOM 50 OD1 ASP A 0 17.551 -3.076 0.869 1.00 0.00 O ATOM 51 OD2 ASP A 0 16.411 -1.267 1.337 1.00 0.00 O1- ATOM 0 H ASP A 0 13.720 -0.977 0.323 1.00 0.00 H new ATOM 0 HA ASP A 0 15.327 -0.188 -0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 0 15.919 -3.149 -1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 0 17.086 -1.904 -1.587 1.00 0.00 H new ATOM 56 N ARG A 1 13.776 -0.806 -3.228 1.00 0.00 N ATOM 57 CA ARG A 1 13.384 -0.459 -4.616 1.00 0.00 C ATOM 58 C ARG A 1 13.995 -1.346 -5.716 1.00 0.00 C ATOM 59 O ARG A 1 13.854 -1.061 -6.907 1.00 0.00 O ATOM 60 CB ARG A 1 13.501 1.071 -4.786 1.00 0.00 C ATOM 61 CG ARG A 1 14.865 1.781 -4.776 1.00 0.00 C ATOM 62 CD ARG A 1 15.876 1.276 -5.801 1.00 0.00 C ATOM 63 NE ARG A 1 15.367 1.378 -7.186 1.00 0.00 N ATOM 64 CZ ARG A 1 15.537 2.367 -8.047 1.00 0.00 C ATOM 65 NH1 ARG A 1 16.221 3.439 -7.755 1.00 0.00 N1+ ATOM 66 NH2 ARG A 1 15.017 2.296 -9.238 1.00 0.00 N ATOM 0 H ARG A 1 12.958 -0.987 -2.646 1.00 0.00 H new ATOM 0 HA ARG A 1 12.337 -0.716 -4.774 1.00 0.00 H new ATOM 0 HB2 ARG A 1 13.021 1.322 -5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 1 12.903 1.524 -3.995 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.702 2.845 -4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 1 15.300 1.680 -3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 1 16.799 1.850 -5.712 1.00 0.00 H new ATOM 0 HD3 ARG A 1 16.124 0.237 -5.583 1.00 0.00 H new ATOM 0 HE ARG A 1 14.816 0.587 -7.518 1.00 0.00 H new ATOM 0 HH11 ARG A 1 16.648 3.536 -6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 1 16.329 4.180 -8.448 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.476 1.475 -9.510 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.150 3.061 -9.899 1.00 0.00 H new ATOM 80 N TYR A 2 14.636 -2.436 -5.303 1.00 0.00 N ATOM 81 CA TYR A 2 15.283 -3.441 -6.140 1.00 0.00 C ATOM 82 C TYR A 2 14.321 -4.552 -6.599 1.00 0.00 C ATOM 83 O TYR A 2 13.343 -4.882 -5.920 1.00 0.00 O ATOM 84 CB TYR A 2 16.412 -4.094 -5.324 1.00 0.00 C ATOM 85 CG TYR A 2 17.805 -3.619 -5.699 1.00 0.00 C ATOM 86 CD1 TYR A 2 18.437 -2.599 -4.964 1.00 0.00 C ATOM 87 CD2 TYR A 2 18.471 -4.211 -6.794 1.00 0.00 C ATOM 88 CE1 TYR A 2 19.726 -2.159 -5.327 1.00 0.00 C ATOM 89 CE2 TYR A 2 19.758 -3.776 -7.161 1.00 0.00 C ATOM 90 CZ TYR A 2 20.389 -2.746 -6.426 1.00 0.00 C ATOM 91 OH TYR A 2 21.636 -2.314 -6.769 1.00 0.00 O ATOM 0 H TYR A 2 14.723 -2.654 -4.310 1.00 0.00 H new ATOM 0 HA TYR A 2 15.653 -2.935 -7.032 1.00 0.00 H new ATOM 0 HB2 TYR A 2 16.244 -3.893 -4.266 1.00 0.00 H new ATOM 0 HB3 TYR A 2 16.361 -5.175 -5.455 1.00 0.00 H new ATOM 0 HD1 TYR A 2 17.933 -2.152 -4.120 1.00 0.00 H new ATOM 0 HD2 TYR A 2 17.991 -5.001 -7.352 1.00 0.00 H new ATOM 0 HE1 TYR A 2 20.206 -1.372 -4.764 1.00 0.00 H new ATOM 0 HE2 TYR A 2 20.263 -4.228 -8.002 1.00 0.00 H new ATOM 0 HH TYR A 2 21.955 -2.819 -7.546 1.00 0.00 H new ATOM 101 N ASP A 3 14.643 -5.165 -7.740 1.00 0.00 N ATOM 102 CA ASP A 3 13.997 -6.390 -8.219 1.00 0.00 C ATOM 103 C ASP A 3 14.745 -7.614 -7.655 1.00 0.00 C ATOM 104 O ASP A 3 15.940 -7.797 -7.902 1.00 0.00 O ATOM 105 CB ASP A 3 13.957 -6.407 -9.756 1.00 0.00 C ATOM 106 CG ASP A 3 13.153 -5.241 -10.358 1.00 0.00 C ATOM 107 OD1 ASP A 3 12.029 -4.954 -9.875 1.00 0.00 O ATOM 108 OD2 ASP A 3 13.645 -4.613 -11.326 1.00 0.00 O1- ATOM 0 H ASP A 3 15.370 -4.820 -8.367 1.00 0.00 H new ATOM 0 HA ASP A 3 12.966 -6.425 -7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 3 14.977 -6.372 -10.139 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.523 -7.349 -10.091 1.00 0.00 H new ATOM 113 N PHE A 4 14.040 -8.449 -6.888 1.00 0.00 N ATOM 114 CA PHE A 4 14.550 -9.650 -6.221 1.00 0.00 C ATOM 115 C PHE A 4 13.824 -10.926 -6.672 1.00 0.00 C ATOM 116 O PHE A 4 12.667 -10.906 -7.090 1.00 0.00 O ATOM 117 CB PHE A 4 14.396 -9.479 -4.699 1.00 0.00 C ATOM 118 CG PHE A 4 15.236 -8.397 -4.041 1.00 0.00 C ATOM 119 CD1 PHE A 4 16.639 -8.531 -3.978 1.00 0.00 C ATOM 120 CD2 PHE A 4 14.624 -7.262 -3.473 1.00 0.00 C ATOM 121 CE1 PHE A 4 17.415 -7.557 -3.323 1.00 0.00 C ATOM 122 CE2 PHE A 4 15.400 -6.293 -2.812 1.00 0.00 C ATOM 123 CZ PHE A 4 16.796 -6.444 -2.727 1.00 0.00 C ATOM 0 H PHE A 4 13.048 -8.298 -6.706 1.00 0.00 H new ATOM 0 HA PHE A 4 15.599 -9.764 -6.494 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.347 -9.272 -4.485 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.636 -10.431 -4.225 1.00 0.00 H new ATOM 0 HD1 PHE A 4 17.119 -9.384 -4.434 1.00 0.00 H new ATOM 0 HD2 PHE A 4 13.554 -7.136 -3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.489 -7.665 -3.278 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.923 -5.431 -2.369 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.390 -5.708 -2.206 1.00 0.00 H new ATOM 133 N GLU A 5 14.505 -12.064 -6.528 1.00 0.00 N ATOM 134 CA GLU A 5 13.978 -13.411 -6.763 1.00 0.00 C ATOM 135 C GLU A 5 12.943 -13.702 -5.654 1.00 0.00 C ATOM 136 O GLU A 5 13.287 -13.974 -4.501 1.00 0.00 O ATOM 137 CB GLU A 5 15.162 -14.433 -6.776 1.00 0.00 C ATOM 138 CG GLU A 5 16.545 -13.916 -7.221 1.00 0.00 C ATOM 139 CD GLU A 5 16.557 -13.334 -8.648 1.00 0.00 C ATOM 140 OE1 GLU A 5 15.997 -13.971 -9.570 1.00 0.00 O ATOM 141 OE2 GLU A 5 17.135 -12.238 -8.846 1.00 0.00 O1- ATOM 0 H GLU A 5 15.481 -12.073 -6.232 1.00 0.00 H new ATOM 0 HA GLU A 5 13.482 -13.497 -7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.264 -14.843 -5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.885 -15.260 -7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.879 -13.149 -6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.264 -14.733 -7.165 1.00 0.00 H new ATOM 148 N VAL A 6 11.656 -13.609 -6.011 1.00 0.00 N ATOM 149 CA VAL A 6 10.518 -13.623 -5.065 1.00 0.00 C ATOM 150 C VAL A 6 9.429 -14.553 -5.539 1.00 0.00 C ATOM 151 O VAL A 6 8.725 -14.241 -6.481 1.00 0.00 O ATOM 152 CB VAL A 6 9.996 -12.180 -4.875 1.00 0.00 C ATOM 153 CG1 VAL A 6 8.661 -12.097 -4.119 1.00 0.00 C ATOM 154 CG2 VAL A 6 10.989 -11.315 -4.098 1.00 0.00 C ATOM 0 H VAL A 6 11.364 -13.520 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 6 10.855 -14.002 -4.100 1.00 0.00 H new ATOM 0 HB VAL A 6 9.859 -11.816 -5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.360 -11.054 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.897 -12.647 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.777 -12.532 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.585 -10.309 -3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.158 -11.750 -3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.933 -11.268 -4.641 1.00 0.00 H new ATOM 164 N VAL A 7 9.231 -15.687 -4.882 1.00 0.00 N ATOM 165 CA VAL A 7 8.182 -16.633 -5.294 1.00 0.00 C ATOM 166 C VAL A 7 6.818 -16.071 -4.883 1.00 0.00 C ATOM 167 O VAL A 7 6.394 -16.155 -3.732 1.00 0.00 O ATOM 168 CB VAL A 7 8.393 -18.033 -4.690 1.00 0.00 C ATOM 169 CG1 VAL A 7 7.250 -18.978 -5.047 1.00 0.00 C ATOM 170 CG2 VAL A 7 9.645 -18.699 -5.257 1.00 0.00 C ATOM 0 H VAL A 7 9.772 -15.980 -4.069 1.00 0.00 H new ATOM 0 HA VAL A 7 8.229 -16.749 -6.377 1.00 0.00 H new ATOM 0 HB VAL A 7 8.465 -17.875 -3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.434 -19.956 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.312 -18.576 -4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.185 -19.078 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.766 -19.686 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.546 -18.799 -6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.518 -18.088 -5.028 1.00 0.00 H new ATOM 180 N ARG A 8 6.112 -15.494 -5.851 1.00 0.00 N ATOM 181 CA ARG A 8 4.776 -14.920 -5.691 1.00 0.00 C ATOM 182 C ARG A 8 3.865 -15.494 -6.747 1.00 0.00 C ATOM 183 O ARG A 8 3.788 -14.968 -7.849 1.00 0.00 O ATOM 184 CB ARG A 8 4.861 -13.387 -5.767 1.00 0.00 C ATOM 185 CG ARG A 8 4.735 -12.736 -4.392 1.00 0.00 C ATOM 186 CD ARG A 8 4.922 -11.212 -4.583 1.00 0.00 C ATOM 187 NE ARG A 8 4.093 -10.399 -3.659 1.00 0.00 N ATOM 188 CZ ARG A 8 4.233 -10.259 -2.352 1.00 0.00 C ATOM 189 NH1 ARG A 8 5.181 -10.845 -1.676 1.00 0.00 N1+ ATOM 190 NH2 ARG A 8 3.401 -9.512 -1.687 1.00 0.00 N ATOM 0 H ARG A 8 6.466 -15.409 -6.804 1.00 0.00 H new ATOM 0 HA ARG A 8 4.362 -15.175 -4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.810 -13.099 -6.218 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.072 -13.012 -6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.761 -12.951 -3.953 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.487 -13.132 -3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.972 -10.960 -4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.673 -10.948 -5.611 1.00 0.00 H new ATOM 0 HE ARG A 8 3.321 -9.886 -4.084 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.855 -11.442 -2.155 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.249 -10.707 -0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.642 -9.035 -2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.508 -9.403 -0.678 1.00 0.00 H new ATOM 204 N CYS A 9 3.235 -16.608 -6.398 1.00 0.00 N ATOM 205 CA CYS A 9 2.163 -17.233 -7.180 1.00 0.00 C ATOM 206 C CYS A 9 0.773 -16.748 -6.731 1.00 0.00 C ATOM 207 O CYS A 9 0.594 -16.390 -5.571 1.00 0.00 O ATOM 208 CB CYS A 9 2.297 -18.763 -7.082 1.00 0.00 C ATOM 209 SG CYS A 9 1.137 -19.633 -8.190 1.00 0.00 S ATOM 0 H CYS A 9 3.457 -17.119 -5.543 1.00 0.00 H new ATOM 0 HA CYS A 9 2.263 -16.936 -8.224 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.318 -19.052 -7.329 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.117 -19.076 -6.053 1.00 0.00 H new ATOM 214 N ILE A 10 -0.246 -16.902 -7.596 1.00 0.00 N ATOM 215 CA ILE A 10 -1.685 -16.718 -7.267 1.00 0.00 C ATOM 216 C ILE A 10 -2.158 -17.564 -6.080 1.00 0.00 C ATOM 217 O ILE A 10 -3.209 -17.331 -5.488 1.00 0.00 O ATOM 218 CB ILE A 10 -2.588 -17.075 -8.468 1.00 0.00 C ATOM 219 CG1 ILE A 10 -2.347 -18.433 -9.177 1.00 0.00 C ATOM 220 CG2 ILE A 10 -2.433 -15.935 -9.471 1.00 0.00 C ATOM 221 CD1 ILE A 10 -2.728 -19.704 -8.406 1.00 0.00 C ATOM 0 H ILE A 10 -0.095 -17.165 -8.570 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.771 -15.663 -7.006 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.594 -17.197 -8.066 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.902 -18.428 -10.115 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.289 -18.497 -9.433 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.052 -16.134 -10.346 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.747 -14.999 -9.009 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.389 -15.857 -9.775 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.508 -20.580 -9.017 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.155 -19.754 -7.480 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.793 -19.683 -8.173 1.00 0.00 H new ATOM 233 N CYS A 11 -1.338 -18.560 -5.754 1.00 0.00 N ATOM 234 CA CYS A 11 -1.505 -19.473 -4.639 1.00 0.00 C ATOM 235 C CYS A 11 -1.253 -18.752 -3.286 1.00 0.00 C ATOM 236 O CYS A 11 -1.579 -19.297 -2.232 1.00 0.00 O ATOM 237 CB CYS A 11 -0.482 -20.614 -4.842 1.00 0.00 C ATOM 238 SG CYS A 11 -0.823 -22.021 -5.893 1.00 0.00 S ATOM 0 H CYS A 11 -0.495 -18.758 -6.293 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.524 -19.859 -4.607 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.431 -20.154 -5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.253 -21.010 -3.853 1.00 0.00 H new ATOM 243 N GLU A 12 -0.629 -17.554 -3.305 1.00 0.00 N ATOM 244 CA GLU A 12 -0.155 -16.769 -2.150 1.00 0.00 C ATOM 245 C GLU A 12 0.703 -17.590 -1.182 1.00 0.00 C ATOM 246 O GLU A 12 0.654 -17.465 0.043 1.00 0.00 O ATOM 247 CB GLU A 12 -1.323 -15.997 -1.509 1.00 0.00 C ATOM 248 CG GLU A 12 -1.909 -14.938 -2.459 1.00 0.00 C ATOM 249 CD GLU A 12 -2.992 -14.073 -1.780 1.00 0.00 C ATOM 250 OE1 GLU A 12 -3.040 -12.847 -2.052 1.00 0.00 O ATOM 251 OE2 GLU A 12 -3.808 -14.593 -0.977 1.00 0.00 O1- ATOM 0 H GLU A 12 -0.431 -17.081 -4.187 1.00 0.00 H new ATOM 0 HA GLU A 12 0.542 -16.010 -2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.106 -16.699 -1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.978 -15.513 -0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.107 -14.294 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.337 -15.433 -3.331 1.00 0.00 H new ATOM 258 N VAL A 13 1.507 -18.458 -1.798 1.00 0.00 N ATOM 259 CA VAL A 13 2.479 -19.343 -1.187 1.00 0.00 C ATOM 260 C VAL A 13 3.833 -19.125 -1.857 1.00 0.00 C ATOM 261 O VAL A 13 3.924 -19.009 -3.081 1.00 0.00 O ATOM 262 CB VAL A 13 1.956 -20.793 -1.264 1.00 0.00 C ATOM 263 CG1 VAL A 13 2.268 -21.499 -2.586 1.00 0.00 C ATOM 264 CG2 VAL A 13 2.474 -21.635 -0.095 1.00 0.00 C ATOM 0 H VAL A 13 1.488 -18.562 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 13 2.621 -19.126 -0.128 1.00 0.00 H new ATOM 0 HB VAL A 13 0.871 -20.705 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.868 -22.512 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.811 -20.949 -3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.348 -21.539 -2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.087 -22.651 -0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.564 -21.658 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.140 -21.196 0.845 1.00 0.00 H new ATOM 274 N GLN A 14 4.892 -19.108 -1.058 1.00 0.00 N ATOM 275 CA GLN A 14 6.281 -19.125 -1.549 1.00 0.00 C ATOM 276 C GLN A 14 6.808 -20.570 -1.790 1.00 0.00 C ATOM 277 O GLN A 14 8.000 -20.763 -2.036 1.00 0.00 O ATOM 278 CB GLN A 14 7.199 -18.348 -0.596 1.00 0.00 C ATOM 279 CG GLN A 14 7.033 -16.818 -0.567 1.00 0.00 C ATOM 280 CD GLN A 14 5.613 -16.340 -0.278 1.00 0.00 C ATOM 281 OE1 GLN A 14 5.170 -16.263 0.861 1.00 0.00 O ATOM 282 NE2 GLN A 14 4.834 -16.008 -1.288 1.00 0.00 N ATOM 0 H GLN A 14 4.820 -19.082 -0.041 1.00 0.00 H new ATOM 0 HA GLN A 14 6.288 -18.627 -2.519 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.039 -18.726 0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.232 -18.573 -0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.702 -16.407 0.189 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.351 -16.413 -1.528 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.186 -16.066 -2.244 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.880 -15.693 -1.114 1.00 0.00 H new ATOM 291 N GLU A 15 5.944 -21.593 -1.687 1.00 0.00 N ATOM 292 CA GLU A 15 6.266 -23.009 -1.910 1.00 0.00 C ATOM 293 C GLU A 15 6.821 -23.247 -3.316 1.00 0.00 C ATOM 294 O GLU A 15 6.455 -22.552 -4.257 1.00 0.00 O ATOM 295 CB GLU A 15 5.037 -23.896 -1.616 1.00 0.00 C ATOM 296 CG GLU A 15 5.245 -25.415 -1.730 1.00 0.00 C ATOM 297 CD GLU A 15 6.326 -25.940 -0.765 1.00 0.00 C ATOM 298 OE1 GLU A 15 5.971 -26.490 0.305 1.00 0.00 O ATOM 299 OE2 GLU A 15 7.531 -25.802 -1.077 1.00 0.00 O1- ATOM 0 H GLU A 15 4.966 -21.449 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 15 7.055 -23.292 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.689 -23.674 -0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.238 -23.609 -2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.303 -25.923 -1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.525 -25.664 -2.754 1.00 0.00 H new ATOM 306 N GLU A 16 7.701 -24.227 -3.471 1.00 0.00 N ATOM 307 CA GLU A 16 8.208 -24.708 -4.730 1.00 0.00 C ATOM 308 C GLU A 16 7.649 -26.090 -5.072 1.00 0.00 C ATOM 309 O GLU A 16 7.837 -27.119 -4.419 1.00 0.00 O ATOM 310 CB GLU A 16 9.721 -24.728 -4.899 1.00 0.00 C ATOM 311 CG GLU A 16 10.501 -23.650 -4.148 1.00 0.00 C ATOM 312 CD GLU A 16 11.962 -24.059 -3.884 1.00 0.00 C ATOM 313 OE1 GLU A 16 12.874 -23.340 -4.358 1.00 0.00 O ATOM 314 OE2 GLU A 16 12.210 -25.087 -3.206 1.00 0.00 O1- ATOM 0 H GLU A 16 8.095 -24.728 -2.675 1.00 0.00 H new ATOM 0 HA GLU A 16 7.850 -23.953 -5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.088 -25.703 -4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.948 -24.637 -5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.484 -22.725 -4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.007 -23.443 -3.199 1.00 0.00 H new ATOM 321 N ASN A 17 6.971 -26.021 -6.181 1.00 0.00 N ATOM 322 CA ASN A 17 6.470 -27.115 -7.016 1.00 0.00 C ATOM 323 C ASN A 17 7.662 -27.738 -7.792 1.00 0.00 C ATOM 324 O ASN A 17 8.790 -27.240 -7.768 1.00 0.00 O ATOM 325 CB ASN A 17 5.388 -26.631 -8.006 1.00 0.00 C ATOM 326 CG ASN A 17 3.965 -26.565 -7.468 1.00 0.00 C ATOM 327 OD1 ASN A 17 3.702 -26.574 -6.273 1.00 0.00 O ATOM 328 ND2 ASN A 17 2.995 -26.503 -8.361 1.00 0.00 N ATOM 0 H ASN A 17 6.722 -25.114 -6.577 1.00 0.00 H new ATOM 0 HA ASN A 17 6.007 -27.861 -6.370 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.667 -25.638 -8.360 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.396 -27.292 -8.873 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.023 -26.462 -8.056 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.218 -26.496 -9.356 1.00 0.00 H new ATOM 335 N ASP A 18 7.370 -28.773 -8.579 1.00 0.00 N ATOM 336 CA ASP A 18 8.280 -29.397 -9.550 1.00 0.00 C ATOM 337 C ASP A 18 8.815 -28.419 -10.614 1.00 0.00 C ATOM 338 O ASP A 18 9.983 -28.498 -11.008 1.00 0.00 O ATOM 339 CB ASP A 18 7.516 -30.517 -10.265 1.00 0.00 C ATOM 340 CG ASP A 18 7.000 -31.617 -9.319 1.00 0.00 C ATOM 341 OD1 ASP A 18 5.950 -31.411 -8.663 1.00 0.00 O ATOM 342 OD2 ASP A 18 7.641 -32.692 -9.236 1.00 0.00 O1- ATOM 0 H ASP A 18 6.454 -29.222 -8.559 1.00 0.00 H new ATOM 0 HA ASP A 18 9.143 -29.765 -8.994 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.670 -30.084 -10.800 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.168 -30.969 -11.012 1.00 0.00 H new ATOM 347 N PHE A 19 7.962 -27.484 -11.055 1.00 0.00 N ATOM 348 CA PHE A 19 8.257 -26.439 -12.034 1.00 0.00 C ATOM 349 C PHE A 19 7.977 -25.014 -11.519 1.00 0.00 C ATOM 350 O PHE A 19 6.883 -24.753 -11.019 1.00 0.00 O ATOM 351 CB PHE A 19 7.455 -26.716 -13.325 1.00 0.00 C ATOM 352 CG PHE A 19 7.716 -25.725 -14.418 1.00 0.00 C ATOM 353 CD1 PHE A 19 6.635 -25.108 -15.064 1.00 0.00 C ATOM 354 CD2 PHE A 19 9.042 -25.431 -14.787 1.00 0.00 C ATOM 355 CE1 PHE A 19 6.884 -24.196 -16.092 1.00 0.00 C ATOM 356 CE2 PHE A 19 9.286 -24.501 -15.800 1.00 0.00 C ATOM 357 CZ PHE A 19 8.206 -23.915 -16.460 1.00 0.00 C ATOM 0 H PHE A 19 7.000 -27.437 -10.719 1.00 0.00 H new ATOM 0 HA PHE A 19 9.328 -26.475 -12.234 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.698 -27.715 -13.686 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.391 -26.712 -13.089 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.621 -25.336 -14.770 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.866 -25.922 -14.290 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.063 -23.711 -16.599 1.00 0.00 H new ATOM 0 HE2 PHE A 19 10.299 -24.239 -16.069 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.393 -23.229 -17.273 1.00 0.00 H new ATOM 367 N MET A 20 8.920 -24.070 -11.705 1.00 0.00 N ATOM 368 CA MET A 20 8.732 -22.625 -11.469 1.00 0.00 C ATOM 369 C MET A 20 9.323 -21.770 -12.591 1.00 0.00 C ATOM 370 O MET A 20 10.341 -22.142 -13.173 1.00 0.00 O ATOM 371 CB MET A 20 9.279 -22.154 -10.104 1.00 0.00 C ATOM 372 CG MET A 20 8.911 -23.126 -9.000 1.00 0.00 C ATOM 373 SD MET A 20 9.083 -22.460 -7.341 1.00 0.00 S ATOM 374 CE MET A 20 7.616 -21.433 -7.238 1.00 0.00 C ATOM 0 H MET A 20 9.859 -24.298 -12.032 1.00 0.00 H new ATOM 0 HA MET A 20 7.651 -22.482 -11.457 1.00 0.00 H new ATOM 0 HB2 MET A 20 10.363 -22.055 -10.158 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.880 -21.167 -9.871 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.880 -23.448 -9.144 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.538 -24.013 -9.089 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.166 -21.539 -6.251 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.889 -20.391 -7.403 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.900 -21.745 -7.998 1.00 0.00 H new ATOM 384 N ILE A 21 8.724 -20.603 -12.855 1.00 0.00 N ATOM 385 CA ILE A 21 9.136 -19.627 -13.904 1.00 0.00 C ATOM 386 C ILE A 21 9.339 -18.273 -13.256 1.00 0.00 C ATOM 387 O ILE A 21 8.726 -18.032 -12.226 1.00 0.00 O ATOM 388 CB ILE A 21 8.105 -19.469 -15.062 1.00 0.00 C ATOM 389 CG1 ILE A 21 7.552 -20.817 -15.509 1.00 0.00 C ATOM 390 CG2 ILE A 21 8.522 -18.793 -16.413 1.00 0.00 C ATOM 391 CD1 ILE A 21 6.117 -20.609 -15.906 1.00 0.00 C ATOM 0 H ILE A 21 7.907 -20.289 -12.331 1.00 0.00 H new ATOM 0 HA ILE A 21 10.053 -20.016 -14.347 1.00 0.00 H new ATOM 0 HB ILE A 21 7.415 -18.792 -14.558 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.128 -21.209 -16.347 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.625 -21.547 -14.703 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.668 -18.777 -17.090 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.853 -17.772 -16.222 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.335 -19.359 -16.867 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.689 -21.557 -16.232 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.554 -20.231 -15.052 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.066 -19.888 -16.722 1.00 0.00 H new ATOM 403 N GLN A 22 10.137 -17.388 -13.850 1.00 0.00 N ATOM 404 CA GLN A 22 10.356 -16.033 -13.324 1.00 0.00 C ATOM 405 C GLN A 22 9.696 -14.980 -14.217 1.00 0.00 C ATOM 406 O GLN A 22 9.891 -14.986 -15.429 1.00 0.00 O ATOM 407 CB GLN A 22 11.874 -15.791 -13.174 1.00 0.00 C ATOM 408 CG GLN A 22 12.193 -14.300 -12.962 1.00 0.00 C ATOM 409 CD GLN A 22 13.595 -14.061 -12.426 1.00 0.00 C ATOM 410 OE1 GLN A 22 14.560 -14.057 -13.171 1.00 0.00 O ATOM 411 NE2 GLN A 22 13.780 -13.839 -11.147 1.00 0.00 N ATOM 0 H GLN A 22 10.651 -17.585 -14.708 1.00 0.00 H new ATOM 0 HA GLN A 22 9.888 -15.944 -12.343 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.253 -16.368 -12.331 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.390 -16.151 -14.064 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.077 -13.772 -13.908 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.468 -13.874 -12.268 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.984 -13.839 -10.509 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.720 -13.667 -10.790 1.00 0.00 H new ATOM 420 N CYS A 23 8.994 -14.013 -13.620 1.00 0.00 N ATOM 421 CA CYS A 23 8.451 -12.853 -14.310 1.00 0.00 C ATOM 422 C CYS A 23 9.577 -11.988 -14.841 1.00 0.00 C ATOM 423 O CYS A 23 10.468 -11.592 -14.096 1.00 0.00 O ATOM 424 CB CYS A 23 7.612 -12.041 -13.323 1.00 0.00 C ATOM 425 SG CYS A 23 6.883 -10.539 -14.031 1.00 0.00 S ATOM 0 H CYS A 23 8.786 -14.020 -12.621 1.00 0.00 H new ATOM 0 HA CYS A 23 7.835 -13.184 -15.146 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.812 -12.673 -12.937 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.237 -11.763 -12.474 1.00 0.00 H new ATOM 430 N GLU A 24 9.497 -11.617 -16.109 1.00 0.00 N ATOM 431 CA GLU A 24 10.513 -10.761 -16.732 1.00 0.00 C ATOM 432 C GLU A 24 10.445 -9.294 -16.251 1.00 0.00 C ATOM 433 O GLU A 24 11.421 -8.558 -16.383 1.00 0.00 O ATOM 434 CB GLU A 24 10.376 -10.896 -18.254 1.00 0.00 C ATOM 435 CG GLU A 24 9.043 -10.298 -18.758 1.00 0.00 C ATOM 436 CD GLU A 24 9.124 -8.870 -19.356 1.00 0.00 C ATOM 437 OE1 GLU A 24 8.061 -8.212 -19.442 1.00 0.00 O ATOM 438 OE2 GLU A 24 10.220 -8.397 -19.747 1.00 0.00 O1- ATOM 0 H GLU A 24 8.740 -11.892 -16.734 1.00 0.00 H new ATOM 0 HA GLU A 24 11.504 -11.095 -16.424 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.210 -10.391 -18.742 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.433 -11.948 -18.534 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.631 -10.965 -19.515 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.337 -10.284 -17.928 1.00 0.00 H new ATOM 445 N GLU A 25 9.315 -8.874 -15.664 1.00 0.00 N ATOM 446 CA GLU A 25 9.076 -7.474 -15.270 1.00 0.00 C ATOM 447 C GLU A 25 9.537 -7.167 -13.847 1.00 0.00 C ATOM 448 O GLU A 25 10.325 -6.245 -13.636 1.00 0.00 O ATOM 449 CB GLU A 25 7.591 -7.164 -15.440 1.00 0.00 C ATOM 450 CG GLU A 25 7.115 -5.721 -15.216 1.00 0.00 C ATOM 451 CD GLU A 25 8.004 -4.619 -15.832 1.00 0.00 C ATOM 452 OE1 GLU A 25 8.221 -3.577 -15.167 1.00 0.00 O ATOM 453 OE2 GLU A 25 8.489 -4.772 -16.979 1.00 0.00 O1- ATOM 0 H GLU A 25 8.537 -9.497 -15.447 1.00 0.00 H new ATOM 0 HA GLU A 25 9.673 -6.834 -15.919 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.305 -7.455 -16.451 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.037 -7.806 -14.755 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.110 -5.622 -15.625 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.041 -5.545 -14.143 1.00 0.00 H new ATOM 460 N CYS A 26 9.087 -7.985 -12.888 1.00 0.00 N ATOM 461 CA CYS A 26 9.390 -7.820 -11.476 1.00 0.00 C ATOM 462 C CYS A 26 10.232 -8.934 -10.827 1.00 0.00 C ATOM 463 O CYS A 26 10.427 -8.932 -9.612 1.00 0.00 O ATOM 464 CB CYS A 26 8.104 -7.639 -10.696 1.00 0.00 C ATOM 465 SG CYS A 26 7.034 -9.067 -10.450 1.00 0.00 S ATOM 0 H CYS A 26 8.493 -8.791 -13.083 1.00 0.00 H new ATOM 0 HA CYS A 26 10.021 -6.933 -11.433 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.366 -7.249 -9.713 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.518 -6.869 -11.199 1.00 0.00 H new ATOM 470 N GLN A 27 10.701 -9.903 -11.620 1.00 0.00 N ATOM 471 CA GLN A 27 11.541 -11.032 -11.195 1.00 0.00 C ATOM 472 C GLN A 27 10.868 -12.095 -10.311 1.00 0.00 C ATOM 473 O GLN A 27 11.523 -13.033 -9.851 1.00 0.00 O ATOM 474 CB GLN A 27 12.845 -10.536 -10.538 1.00 0.00 C ATOM 475 CG GLN A 27 14.177 -10.759 -11.291 1.00 0.00 C ATOM 476 CD GLN A 27 14.802 -9.456 -11.783 1.00 0.00 C ATOM 477 OE1 GLN A 27 15.803 -8.971 -11.271 1.00 0.00 O ATOM 478 NE2 GLN A 27 14.227 -8.843 -12.801 1.00 0.00 N ATOM 0 H GLN A 27 10.498 -9.924 -12.619 1.00 0.00 H new ATOM 0 HA GLN A 27 11.755 -11.554 -12.128 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.740 -9.466 -10.358 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.930 -11.017 -9.563 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.881 -11.269 -10.633 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.003 -11.417 -12.142 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.393 -9.242 -13.232 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.617 -7.970 -13.157 1.00 0.00 H new ATOM 487 N CYS A 28 9.573 -12.003 -10.044 1.00 0.00 N ATOM 488 CA CYS A 28 8.961 -12.943 -9.120 1.00 0.00 C ATOM 489 C CYS A 28 8.757 -14.316 -9.749 1.00 0.00 C ATOM 490 O CYS A 28 8.516 -14.419 -10.943 1.00 0.00 O ATOM 491 CB CYS A 28 7.660 -12.361 -8.606 1.00 0.00 C ATOM 492 SG CYS A 28 6.514 -12.047 -9.966 1.00 0.00 S ATOM 0 H CYS A 28 8.942 -11.307 -10.442 1.00 0.00 H new ATOM 0 HA CYS A 28 9.638 -13.097 -8.280 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.205 -13.049 -7.893 1.00 0.00 H new ATOM 0 HB3 CYS A 28 7.859 -11.433 -8.070 1.00 0.00 H new ATOM 0 HG CYS A 28 6.514 -10.778 -10.250 1.00 0.00 H new ATOM 498 N TRP A 29 8.804 -15.365 -8.946 1.00 0.00 N ATOM 499 CA TRP A 29 8.704 -16.748 -9.377 1.00 0.00 C ATOM 500 C TRP A 29 7.340 -17.373 -9.118 1.00 0.00 C ATOM 501 O TRP A 29 6.709 -17.071 -8.111 1.00 0.00 O ATOM 502 CB TRP A 29 9.818 -17.522 -8.694 1.00 0.00 C ATOM 503 CG TRP A 29 11.183 -17.323 -9.251 1.00 0.00 C ATOM 504 CD1 TRP A 29 12.014 -16.305 -8.942 1.00 0.00 C ATOM 505 CD2 TRP A 29 11.903 -18.154 -10.203 1.00 0.00 C ATOM 506 NE1 TRP A 29 13.211 -16.461 -9.617 1.00 0.00 N ATOM 507 CE2 TRP A 29 13.202 -17.606 -10.378 1.00 0.00 C ATOM 508 CE3 TRP A 29 11.592 -19.311 -10.940 1.00 0.00 C ATOM 509 CZ2 TRP A 29 14.152 -18.203 -11.207 1.00 0.00 C ATOM 510 CZ3 TRP A 29 12.546 -19.905 -11.796 1.00 0.00 C ATOM 511 CH2 TRP A 29 13.833 -19.362 -11.919 1.00 0.00 C ATOM 0 H TRP A 29 8.917 -15.273 -7.937 1.00 0.00 H new ATOM 0 HA TRP A 29 8.815 -16.786 -10.461 1.00 0.00 H new ATOM 0 HB2 TRP A 29 9.833 -17.246 -7.640 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.578 -18.584 -8.742 1.00 0.00 H new ATOM 0 HD1 TRP A 29 11.780 -15.493 -8.270 1.00 0.00 H new ATOM 0 HE1 TRP A 29 13.996 -15.813 -9.558 1.00 0.00 H new ATOM 0 HE3 TRP A 29 10.610 -19.751 -10.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 15.136 -17.768 -11.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 12.281 -20.786 -12.361 1.00 0.00 H new ATOM 0 HH2 TRP A 29 14.567 -19.833 -12.555 1.00 0.00 H new ATOM 522 N GLN A 30 6.869 -18.253 -10.004 1.00 0.00 N ATOM 523 CA GLN A 30 5.550 -18.863 -9.856 1.00 0.00 C ATOM 524 C GLN A 30 5.592 -20.288 -10.307 1.00 0.00 C ATOM 525 O GLN A 30 6.444 -20.647 -11.109 1.00 0.00 O ATOM 526 CB GLN A 30 4.487 -18.181 -10.729 1.00 0.00 C ATOM 527 CG GLN A 30 4.263 -16.738 -10.357 1.00 0.00 C ATOM 528 CD GLN A 30 5.379 -15.846 -10.839 1.00 0.00 C ATOM 529 OE1 GLN A 30 5.971 -16.015 -11.887 1.00 0.00 O ATOM 530 NE2 GLN A 30 5.725 -14.860 -10.084 1.00 0.00 N ATOM 0 H GLN A 30 7.383 -18.558 -10.831 1.00 0.00 H new ATOM 0 HA GLN A 30 5.291 -18.764 -8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.790 -18.239 -11.774 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.547 -18.725 -10.639 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.319 -16.397 -10.782 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.174 -16.653 -9.274 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.241 -14.700 -9.200 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.482 -14.240 -10.370 1.00 0.00 H new ATOM 539 N HIS A 31 4.627 -21.078 -9.858 1.00 0.00 N ATOM 540 CA HIS A 31 4.440 -22.404 -10.414 1.00 0.00 C ATOM 541 C HIS A 31 3.872 -22.217 -11.803 1.00 0.00 C ATOM 542 O HIS A 31 2.786 -21.658 -11.950 1.00 0.00 O ATOM 543 CB HIS A 31 3.435 -23.213 -9.586 1.00 0.00 C ATOM 544 CG HIS A 31 3.592 -23.066 -8.095 1.00 0.00 C ATOM 545 ND1 HIS A 31 2.642 -22.671 -7.146 1.00 0.00 N ATOM 546 CD2 HIS A 31 4.757 -23.293 -7.447 1.00 0.00 C ATOM 547 CE1 HIS A 31 3.249 -22.664 -5.947 1.00 0.00 C ATOM 548 NE2 HIS A 31 4.527 -23.037 -6.113 1.00 0.00 N ATOM 0 H HIS A 31 3.970 -20.825 -9.119 1.00 0.00 H new ATOM 0 HA HIS A 31 5.389 -22.941 -10.419 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.426 -22.909 -9.864 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.533 -24.267 -9.847 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.688 -23.613 -7.890 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.786 -22.402 -5.007 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.220 -23.118 -5.369 1.00 0.00 H new ATOM 556 N GLY A 32 4.560 -22.679 -12.833 1.00 0.00 N ATOM 557 CA GLY A 32 4.060 -22.433 -14.183 1.00 0.00 C ATOM 558 C GLY A 32 2.662 -22.968 -14.451 1.00 0.00 C ATOM 559 O GLY A 32 1.840 -22.298 -15.076 1.00 0.00 O ATOM 0 H GLY A 32 5.431 -23.206 -12.773 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.064 -21.359 -14.367 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.749 -22.882 -14.898 1.00 0.00 H new ATOM 563 N VAL A 33 2.347 -24.124 -13.877 1.00 0.00 N ATOM 564 CA VAL A 33 1.056 -24.805 -14.086 1.00 0.00 C ATOM 565 C VAL A 33 -0.126 -24.014 -13.478 1.00 0.00 C ATOM 566 O VAL A 33 -1.271 -24.175 -13.896 1.00 0.00 O ATOM 567 CB VAL A 33 1.184 -26.248 -13.577 1.00 0.00 C ATOM 568 CG1 VAL A 33 1.293 -26.323 -12.048 1.00 0.00 C ATOM 569 CG2 VAL A 33 0.028 -27.141 -14.035 1.00 0.00 C ATOM 0 H VAL A 33 2.976 -24.624 -13.249 1.00 0.00 H new ATOM 0 HA VAL A 33 0.817 -24.846 -15.149 1.00 0.00 H new ATOM 0 HB VAL A 33 2.109 -26.619 -14.018 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.381 -27.365 -11.740 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.173 -25.771 -11.719 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.402 -25.886 -11.598 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.171 -28.149 -13.646 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.913 -26.738 -13.661 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.002 -27.173 -15.124 1.00 0.00 H new ATOM 579 N CYS A 34 0.163 -23.089 -12.550 1.00 0.00 N ATOM 580 CA CYS A 34 -0.780 -22.110 -11.989 1.00 0.00 C ATOM 581 C CYS A 34 -1.007 -20.900 -12.918 1.00 0.00 C ATOM 582 O CYS A 34 -2.063 -20.271 -12.909 1.00 0.00 O ATOM 583 CB CYS A 34 -0.202 -21.632 -10.666 1.00 0.00 C ATOM 584 SG CYS A 34 -0.148 -22.946 -9.436 1.00 0.00 S ATOM 0 H CYS A 34 1.099 -22.999 -12.154 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.750 -22.591 -11.863 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.805 -21.247 -10.829 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.802 -20.805 -10.286 1.00 0.00 H new ATOM 589 N MET A 35 0.025 -20.566 -13.698 1.00 0.00 N ATOM 590 CA MET A 35 0.121 -19.423 -14.613 1.00 0.00 C ATOM 591 C MET A 35 -0.254 -19.781 -16.071 1.00 0.00 C ATOM 592 O MET A 35 -0.352 -18.890 -16.916 1.00 0.00 O ATOM 593 CB MET A 35 1.561 -18.901 -14.522 1.00 0.00 C ATOM 594 CG MET A 35 1.973 -18.375 -13.139 1.00 0.00 C ATOM 595 SD MET A 35 1.386 -16.690 -12.816 1.00 0.00 S ATOM 596 CE MET A 35 -0.142 -16.979 -11.903 1.00 0.00 C ATOM 0 H MET A 35 0.877 -21.127 -13.708 1.00 0.00 H new ATOM 0 HA MET A 35 -0.598 -18.659 -14.317 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.241 -19.704 -14.807 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.689 -18.101 -15.251 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.582 -19.043 -12.371 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.060 -18.397 -13.057 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.854 -16.185 -12.125 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.566 -17.939 -12.197 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.069 -16.988 -10.834 1.00 0.00 H new ATOM 606 N GLY A 36 -0.462 -21.070 -16.378 1.00 0.00 N ATOM 607 CA GLY A 36 -0.754 -21.600 -17.716 1.00 0.00 C ATOM 608 C GLY A 36 0.474 -21.809 -18.589 1.00 0.00 C ATOM 609 O GLY A 36 0.372 -21.753 -19.816 1.00 0.00 O ATOM 0 H GLY A 36 -0.430 -21.802 -15.669 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.277 -22.551 -17.611 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.434 -20.917 -18.224 1.00 0.00 H new ATOM 613 N LEU A 37 1.635 -22.034 -17.963 1.00 0.00 N ATOM 614 CA LEU A 37 2.901 -22.277 -18.647 1.00 0.00 C ATOM 615 C LEU A 37 3.576 -23.542 -18.082 1.00 0.00 C ATOM 616 O LEU A 37 3.418 -23.907 -16.928 1.00 0.00 O ATOM 617 CB LEU A 37 3.841 -21.050 -18.553 1.00 0.00 C ATOM 618 CG LEU A 37 3.226 -19.631 -18.479 1.00 0.00 C ATOM 619 CD1 LEU A 37 3.709 -18.794 -17.298 1.00 0.00 C ATOM 620 CD2 LEU A 37 3.670 -18.844 -19.690 1.00 0.00 C ATOM 0 H LEU A 37 1.718 -22.052 -16.947 1.00 0.00 H new ATOM 0 HA LEU A 37 2.692 -22.440 -19.704 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.467 -21.183 -17.670 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.502 -21.076 -19.419 1.00 0.00 H new ATOM 0 HG LEU A 37 2.151 -19.794 -18.399 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.228 -17.816 -17.324 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.455 -19.299 -16.366 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.790 -18.668 -17.359 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.243 -17.842 -19.649 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.758 -18.775 -19.700 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.330 -19.347 -20.595 1.00 0.00 H new ATOM 632 N LEU A 38 4.344 -24.224 -18.909 1.00 0.00 N ATOM 633 CA LEU A 38 5.109 -25.430 -18.659 1.00 0.00 C ATOM 634 C LEU A 38 6.523 -25.199 -19.166 1.00 0.00 C ATOM 635 O LEU A 38 6.726 -24.314 -19.991 1.00 0.00 O ATOM 636 CB LEU A 38 4.421 -26.542 -19.461 1.00 0.00 C ATOM 637 CG LEU A 38 3.556 -27.519 -18.664 1.00 0.00 C ATOM 638 CD1 LEU A 38 4.505 -28.544 -18.054 1.00 0.00 C ATOM 639 CD2 LEU A 38 2.648 -26.895 -17.605 1.00 0.00 C ATOM 0 H LEU A 38 4.459 -23.914 -19.874 1.00 0.00 H new ATOM 0 HA LEU A 38 5.156 -25.696 -17.603 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.797 -26.077 -20.224 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.189 -27.113 -19.982 1.00 0.00 H new ATOM 0 HG LEU A 38 2.841 -27.970 -19.352 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.934 -29.268 -17.472 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.042 -29.061 -18.849 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.218 -28.038 -17.404 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.082 -27.680 -17.103 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.255 -26.361 -16.874 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.958 -26.198 -18.082 1.00 0.00 H new ATOM 651 N GLU A 39 7.464 -26.062 -18.799 1.00 0.00 N ATOM 652 CA GLU A 39 8.815 -26.066 -19.368 1.00 0.00 C ATOM 653 C GLU A 39 8.827 -26.216 -20.906 1.00 0.00 C ATOM 654 O GLU A 39 9.752 -25.730 -21.556 1.00 0.00 O ATOM 655 CB GLU A 39 9.680 -27.146 -18.679 1.00 0.00 C ATOM 656 CG GLU A 39 9.086 -28.559 -18.529 1.00 0.00 C ATOM 657 CD GLU A 39 8.987 -29.356 -19.842 1.00 0.00 C ATOM 658 OE1 GLU A 39 10.045 -29.672 -20.440 1.00 0.00 O ATOM 659 OE2 GLU A 39 7.853 -29.676 -20.267 1.00 0.00 O1- ATOM 0 H GLU A 39 7.314 -26.784 -18.095 1.00 0.00 H new ATOM 0 HA GLU A 39 9.252 -25.088 -19.169 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.613 -27.233 -19.236 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.936 -26.784 -17.683 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.696 -29.122 -17.823 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.090 -28.476 -18.094 1.00 0.00 H new ATOM 666 N GLU A 40 7.778 -26.800 -21.499 1.00 0.00 N ATOM 667 CA GLU A 40 7.598 -26.792 -22.965 1.00 0.00 C ATOM 668 C GLU A 40 7.293 -25.397 -23.539 1.00 0.00 C ATOM 669 O GLU A 40 7.777 -25.065 -24.625 1.00 0.00 O ATOM 670 CB GLU A 40 6.524 -27.780 -23.466 1.00 0.00 C ATOM 671 CG GLU A 40 5.171 -27.742 -22.739 1.00 0.00 C ATOM 672 CD GLU A 40 4.000 -28.363 -23.540 1.00 0.00 C ATOM 673 OE1 GLU A 40 2.832 -28.195 -23.110 1.00 0.00 O ATOM 674 OE2 GLU A 40 4.214 -29.023 -24.587 1.00 0.00 O1- ATOM 0 H GLU A 40 7.039 -27.285 -20.990 1.00 0.00 H new ATOM 0 HA GLU A 40 8.569 -27.120 -23.336 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.349 -27.587 -24.524 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.926 -28.790 -23.388 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.267 -28.269 -21.790 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.927 -26.706 -22.505 1.00 0.00 H new ATOM 681 N ASN A 41 6.499 -24.582 -22.834 1.00 0.00 N ATOM 682 CA ASN A 41 5.976 -23.315 -23.355 1.00 0.00 C ATOM 683 C ASN A 41 6.715 -22.049 -22.884 1.00 0.00 C ATOM 684 O ASN A 41 6.287 -20.965 -23.278 1.00 0.00 O ATOM 685 CB ASN A 41 4.482 -23.189 -23.011 1.00 0.00 C ATOM 686 CG ASN A 41 3.520 -24.249 -23.509 1.00 0.00 C ATOM 687 OD1 ASN A 41 3.791 -25.023 -24.416 1.00 0.00 O ATOM 688 ND2 ASN A 41 2.342 -24.293 -22.916 1.00 0.00 N ATOM 0 H ASN A 41 6.200 -24.785 -21.880 1.00 0.00 H new ATOM 0 HA ASN A 41 6.140 -23.364 -24.432 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.397 -23.152 -21.925 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.137 -22.227 -23.391 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.647 -24.978 -23.213 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.127 -23.642 -22.160 1.00 0.00 H new ATOM 695 N VAL A 42 7.781 -22.141 -22.072 1.00 0.00 N ATOM 696 CA VAL A 42 8.405 -20.969 -21.405 1.00 0.00 C ATOM 697 C VAL A 42 8.775 -19.902 -22.440 1.00 0.00 C ATOM 698 O VAL A 42 9.665 -20.126 -23.269 1.00 0.00 O ATOM 699 CB VAL A 42 9.669 -21.341 -20.608 1.00 0.00 C ATOM 700 CG1 VAL A 42 10.392 -20.118 -20.021 1.00 0.00 C ATOM 701 CG2 VAL A 42 9.306 -22.281 -19.485 1.00 0.00 C ATOM 0 H VAL A 42 8.240 -23.026 -21.855 1.00 0.00 H new ATOM 0 HA VAL A 42 7.664 -20.584 -20.705 1.00 0.00 H new ATOM 0 HB VAL A 42 10.351 -21.819 -21.311 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.274 -20.446 -19.471 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.695 -19.452 -20.829 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.720 -19.587 -19.346 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.204 -22.541 -18.924 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.591 -21.795 -18.821 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.861 -23.186 -19.898 1.00 0.00 H new ATOM 711 N PRO A 43 8.096 -18.742 -22.398 1.00 0.00 N ATOM 712 CA PRO A 43 8.391 -17.634 -23.292 1.00 0.00 C ATOM 713 C PRO A 43 9.664 -16.900 -22.849 1.00 0.00 C ATOM 714 O PRO A 43 10.150 -17.053 -21.726 1.00 0.00 O ATOM 715 CB PRO A 43 7.133 -16.751 -23.233 1.00 0.00 C ATOM 716 CG PRO A 43 6.602 -16.964 -21.824 1.00 0.00 C ATOM 717 CD PRO A 43 6.962 -18.418 -21.532 1.00 0.00 C ATOM 0 HA PRO A 43 8.599 -17.949 -24.315 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.371 -15.703 -23.416 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.401 -17.047 -23.985 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.067 -16.283 -21.111 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.526 -16.797 -21.769 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.224 -18.550 -20.482 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.117 -19.076 -21.735 1.00 0.00 H new ATOM 725 N GLU A 44 10.182 -16.032 -23.715 1.00 0.00 N ATOM 726 CA GLU A 44 11.325 -15.172 -23.367 1.00 0.00 C ATOM 727 C GLU A 44 10.857 -14.106 -22.373 1.00 0.00 C ATOM 728 O GLU A 44 11.550 -13.818 -21.396 1.00 0.00 O ATOM 729 CB GLU A 44 11.966 -14.546 -24.623 1.00 0.00 C ATOM 730 CG GLU A 44 13.129 -15.365 -25.224 1.00 0.00 C ATOM 731 CD GLU A 44 14.469 -15.155 -24.485 1.00 0.00 C ATOM 732 OE1 GLU A 44 15.506 -14.948 -25.164 1.00 0.00 O ATOM 733 OE2 GLU A 44 14.507 -15.200 -23.231 1.00 0.00 O1- ATOM 0 H GLU A 44 9.833 -15.901 -24.664 1.00 0.00 H new ATOM 0 HA GLU A 44 12.102 -15.776 -22.899 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.196 -14.420 -25.384 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.331 -13.550 -24.371 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.870 -16.423 -25.199 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.253 -15.092 -26.272 1.00 0.00 H new ATOM 740 N LYS A 45 9.618 -13.622 -22.547 1.00 0.00 N ATOM 741 CA LYS A 45 8.977 -12.637 -21.692 1.00 0.00 C ATOM 742 C LYS A 45 7.594 -13.057 -21.208 1.00 0.00 C ATOM 743 O LYS A 45 6.563 -12.655 -21.745 1.00 0.00 O ATOM 744 CB LYS A 45 8.893 -11.294 -22.418 1.00 0.00 C ATOM 745 CG LYS A 45 10.220 -10.524 -22.562 1.00 0.00 C ATOM 746 CD LYS A 45 9.946 -9.102 -23.091 1.00 0.00 C ATOM 747 CE LYS A 45 11.192 -8.207 -23.212 1.00 0.00 C ATOM 748 NZ LYS A 45 11.910 -8.051 -21.915 1.00 0.00 N1+ ATOM 0 H LYS A 45 9.021 -13.923 -23.318 1.00 0.00 H new ATOM 0 HA LYS A 45 9.599 -12.548 -20.802 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.485 -11.466 -23.414 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.183 -10.660 -21.888 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.727 -10.472 -21.598 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.886 -11.053 -23.244 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.475 -9.179 -24.071 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.229 -8.615 -22.430 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.871 -8.633 -23.951 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.896 -7.225 -23.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.514 -7.205 -21.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.218 -7.949 -21.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.499 -8.890 -21.741 1.00 0.00 H new ATOM 762 N TYR A 46 7.595 -13.869 -20.159 1.00 0.00 N ATOM 763 CA TYR A 46 6.362 -14.143 -19.420 1.00 0.00 C ATOM 764 C TYR A 46 6.159 -13.005 -18.403 1.00 0.00 C ATOM 765 O TYR A 46 7.032 -12.681 -17.592 1.00 0.00 O ATOM 766 CB TYR A 46 6.380 -15.540 -18.760 1.00 0.00 C ATOM 767 CG TYR A 46 5.761 -15.558 -17.392 1.00 0.00 C ATOM 768 CD1 TYR A 46 4.364 -15.565 -17.239 1.00 0.00 C ATOM 769 CD2 TYR A 46 6.607 -15.541 -16.277 1.00 0.00 C ATOM 770 CE1 TYR A 46 3.815 -15.487 -15.944 1.00 0.00 C ATOM 771 CE2 TYR A 46 6.062 -15.503 -14.988 1.00 0.00 C ATOM 772 CZ TYR A 46 4.666 -15.464 -14.831 1.00 0.00 C ATOM 773 OH TYR A 46 4.136 -15.397 -13.596 1.00 0.00 O ATOM 0 H TYR A 46 8.423 -14.346 -19.801 1.00 0.00 H new ATOM 0 HA TYR A 46 5.514 -14.169 -20.104 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.849 -16.244 -19.401 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.411 -15.888 -18.690 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.720 -15.629 -18.103 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.679 -15.557 -16.411 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.744 -15.445 -15.810 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.708 -15.504 -14.123 1.00 0.00 H new ATOM 0 HH TYR A 46 4.829 -15.130 -12.957 1.00 0.00 H new ATOM 783 N THR A 47 4.981 -12.396 -18.465 1.00 0.00 N ATOM 784 CA THR A 47 4.453 -11.435 -17.493 1.00 0.00 C ATOM 785 C THR A 47 3.557 -12.125 -16.466 1.00 0.00 C ATOM 786 O THR A 47 2.710 -12.937 -16.829 1.00 0.00 O ATOM 787 CB THR A 47 3.652 -10.335 -18.202 1.00 0.00 C ATOM 788 OG1 THR A 47 2.990 -10.779 -19.376 1.00 0.00 O ATOM 789 CG2 THR A 47 4.527 -9.140 -18.566 1.00 0.00 C ATOM 0 H THR A 47 4.331 -12.565 -19.233 1.00 0.00 H new ATOM 0 HA THR A 47 5.304 -10.991 -16.977 1.00 0.00 H new ATOM 0 HB THR A 47 2.895 -10.039 -17.476 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.155 -11.229 -19.130 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.921 -8.384 -19.066 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.960 -8.717 -17.660 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.326 -9.464 -19.233 1.00 0.00 H new ATOM 797 N CYS A 48 3.690 -11.752 -15.188 1.00 0.00 N ATOM 798 CA CYS A 48 2.956 -12.373 -14.082 1.00 0.00 C ATOM 799 C CYS A 48 1.692 -11.597 -13.800 1.00 0.00 C ATOM 800 O CYS A 48 1.722 -10.392 -13.907 1.00 0.00 O ATOM 801 CB CYS A 48 3.842 -12.393 -12.816 1.00 0.00 C ATOM 802 SG CYS A 48 3.888 -10.887 -11.774 1.00 0.00 S ATOM 0 H CYS A 48 4.316 -11.004 -14.891 1.00 0.00 H new ATOM 0 HA CYS A 48 2.694 -13.394 -14.359 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.511 -13.222 -12.190 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.863 -12.615 -13.126 1.00 0.00 H new ATOM 807 N TYR A 49 0.620 -12.218 -13.344 1.00 0.00 N ATOM 808 CA TYR A 49 -0.584 -11.554 -12.855 1.00 0.00 C ATOM 809 C TYR A 49 -0.406 -10.283 -11.983 1.00 0.00 C ATOM 810 O TYR A 49 -1.152 -9.324 -12.154 1.00 0.00 O ATOM 811 CB TYR A 49 -1.373 -12.610 -12.096 1.00 0.00 C ATOM 812 CG TYR A 49 -0.822 -12.921 -10.713 1.00 0.00 C ATOM 813 CD1 TYR A 49 0.425 -13.568 -10.567 1.00 0.00 C ATOM 814 CD2 TYR A 49 -1.552 -12.547 -9.568 1.00 0.00 C ATOM 815 CE1 TYR A 49 0.946 -13.803 -9.285 1.00 0.00 C ATOM 816 CE2 TYR A 49 -1.026 -12.784 -8.282 1.00 0.00 C ATOM 817 CZ TYR A 49 0.236 -13.397 -8.139 1.00 0.00 C ATOM 818 OH TYR A 49 0.769 -13.595 -6.902 1.00 0.00 O ATOM 0 H TYR A 49 0.557 -13.235 -13.301 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.093 -11.155 -13.732 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.406 -12.276 -11.997 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.390 -13.528 -12.684 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.977 -13.882 -11.441 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.518 -12.077 -9.676 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.899 -14.299 -9.177 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.589 -12.496 -7.407 1.00 0.00 H new ATOM 0 HH TYR A 49 0.151 -13.256 -6.221 1.00 0.00 H new ATOM 828 N VAL A 50 0.595 -10.213 -11.099 1.00 0.00 N ATOM 829 CA VAL A 50 0.944 -9.005 -10.324 1.00 0.00 C ATOM 830 C VAL A 50 1.348 -7.828 -11.247 1.00 0.00 C ATOM 831 O VAL A 50 1.082 -6.671 -10.914 1.00 0.00 O ATOM 832 CB VAL A 50 1.986 -9.364 -9.232 1.00 0.00 C ATOM 833 CG1 VAL A 50 3.023 -8.281 -8.943 1.00 0.00 C ATOM 834 CG2 VAL A 50 1.297 -9.759 -7.922 1.00 0.00 C ATOM 0 H VAL A 50 1.201 -11.008 -10.894 1.00 0.00 H new ATOM 0 HA VAL A 50 0.063 -8.639 -9.797 1.00 0.00 H new ATOM 0 HB VAL A 50 2.533 -10.208 -9.653 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.705 -8.628 -8.166 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.587 -8.065 -9.851 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.519 -7.376 -8.605 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.051 -10.006 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.690 -8.927 -7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.659 -10.626 -8.093 1.00 0.00 H new ATOM 844 N CYS A 51 1.921 -8.116 -12.424 1.00 0.00 N ATOM 845 CA CYS A 51 2.180 -7.189 -13.523 1.00 0.00 C ATOM 846 C CYS A 51 1.054 -7.201 -14.584 1.00 0.00 C ATOM 847 O CYS A 51 0.410 -6.166 -14.770 1.00 0.00 O ATOM 848 CB CYS A 51 3.557 -7.477 -14.134 1.00 0.00 C ATOM 849 SG CYS A 51 4.931 -7.337 -12.978 1.00 0.00 S ATOM 0 H CYS A 51 2.233 -9.062 -12.643 1.00 0.00 H new ATOM 0 HA CYS A 51 2.189 -6.177 -13.118 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.552 -8.484 -14.552 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.724 -6.789 -14.962 1.00 0.00 H new ATOM 854 N GLN A 52 0.800 -8.323 -15.292 1.00 0.00 N ATOM 855 CA GLN A 52 -0.198 -8.331 -16.374 1.00 0.00 C ATOM 856 C GLN A 52 -1.677 -8.496 -15.968 1.00 0.00 C ATOM 857 O GLN A 52 -2.550 -7.991 -16.679 1.00 0.00 O ATOM 858 CB GLN A 52 0.100 -9.467 -17.363 1.00 0.00 C ATOM 859 CG GLN A 52 0.207 -10.902 -16.823 1.00 0.00 C ATOM 860 CD GLN A 52 -0.289 -11.945 -17.837 1.00 0.00 C ATOM 861 OE1 GLN A 52 0.336 -12.165 -18.865 1.00 0.00 O ATOM 862 NE2 GLN A 52 -1.399 -12.628 -17.626 1.00 0.00 N ATOM 0 H GLN A 52 1.265 -9.217 -15.135 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.095 -7.331 -16.795 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.680 -9.457 -18.124 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.038 -9.231 -17.865 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.244 -11.114 -16.565 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.374 -10.987 -15.905 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.943 -12.468 -16.778 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.712 -13.316 -18.311 1.00 0.00 H new ATOM 871 N ASP A 53 -1.948 -9.210 -14.875 1.00 0.00 N ATOM 872 CA ASP A 53 -3.278 -9.700 -14.441 1.00 0.00 C ATOM 873 C ASP A 53 -3.872 -10.686 -15.482 1.00 0.00 C ATOM 874 O ASP A 53 -3.280 -11.785 -15.634 1.00 0.00 O ATOM 875 CB ASP A 53 -4.232 -8.555 -14.007 1.00 0.00 C ATOM 876 CG ASP A 53 -5.628 -9.027 -13.534 1.00 0.00 C ATOM 877 OD1 ASP A 53 -5.771 -10.164 -13.018 1.00 0.00 O ATOM 878 OD2 ASP A 53 -6.600 -8.240 -13.665 1.00 0.00 O1- ATOM 879 OXT ASP A 53 -4.875 -10.373 -16.168 1.00 0.00 O1- ATOM 0 H ASP A 53 -1.211 -9.483 -14.225 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.144 -10.279 -13.527 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.761 -7.992 -13.201 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.359 -7.868 -14.844 1.00 0.00 H new TER 884 ASP A 53 ATOM 885 N ALA C 1 12.505 -15.808 -19.409 1.00 0.00 N ATOM 886 CA ALA C 1 11.750 -15.925 -18.109 1.00 0.00 C ATOM 887 C ALA C 1 12.453 -16.870 -17.062 1.00 0.00 C ATOM 888 O ALA C 1 11.772 -17.577 -16.320 1.00 0.00 O ATOM 889 CB ALA C 1 10.277 -16.331 -18.416 1.00 0.00 C ATOM 0 H1 ALA C 1 12.057 -15.085 -20.007 1.00 0.00 H new ATOM 0 H2 ALA C 1 13.490 -15.535 -19.215 1.00 0.00 H new ATOM 0 H3 ALA C 1 12.490 -16.723 -19.903 1.00 0.00 H new ATOM 0 HA ALA C 1 11.748 -14.952 -17.618 1.00 0.00 H new ATOM 0 HB1 ALA C 1 9.722 -16.419 -17.482 1.00 0.00 H new ATOM 0 HB2 ALA C 1 9.813 -15.570 -19.044 1.00 0.00 H new ATOM 0 HB3 ALA C 1 10.264 -17.289 -18.937 1.00 0.00 H new ATOM 897 N ARG C 2 13.805 -16.884 -16.977 1.00 0.00 N ATOM 898 CA ARG C 2 14.739 -17.720 -16.153 1.00 0.00 C ATOM 899 C ARG C 2 14.515 -19.245 -16.098 1.00 0.00 C ATOM 900 O ARG C 2 15.335 -19.988 -16.633 1.00 0.00 O ATOM 901 CB ARG C 2 14.959 -17.099 -14.752 1.00 0.00 C ATOM 902 CG ARG C 2 16.362 -17.363 -14.179 1.00 0.00 C ATOM 903 CD ARG C 2 16.732 -16.391 -13.043 1.00 0.00 C ATOM 904 NE ARG C 2 17.123 -15.067 -13.558 1.00 0.00 N ATOM 905 CZ ARG C 2 18.310 -14.656 -13.970 1.00 0.00 C ATOM 906 NH1 ARG C 2 19.355 -15.438 -13.973 1.00 0.00 N1+ ATOM 907 NH2 ARG C 2 18.466 -13.436 -14.393 1.00 0.00 N ATOM 0 H ARG C 2 14.341 -16.233 -17.551 1.00 0.00 H new ATOM 0 HA ARG C 2 15.662 -17.675 -16.730 1.00 0.00 H new ATOM 0 HB2 ARG C 2 14.795 -16.023 -14.810 1.00 0.00 H new ATOM 0 HB3 ARG C 2 14.213 -17.498 -14.065 1.00 0.00 H new ATOM 0 HG2 ARG C 2 16.411 -18.386 -13.807 1.00 0.00 H new ATOM 0 HG3 ARG C 2 17.098 -17.279 -14.978 1.00 0.00 H new ATOM 0 HD2 ARG C 2 15.883 -16.282 -12.368 1.00 0.00 H new ATOM 0 HD3 ARG C 2 17.552 -16.810 -12.459 1.00 0.00 H new ATOM 0 HE ARG C 2 16.376 -14.373 -13.603 1.00 0.00 H new ATOM 0 HH11 ARG C 2 19.272 -16.402 -13.650 1.00 0.00 H new ATOM 0 HH12 ARG C 2 20.255 -15.085 -14.298 1.00 0.00 H new ATOM 0 HH21 ARG C 2 17.672 -12.796 -14.407 1.00 0.00 H new ATOM 0 HH22 ARG C 2 19.382 -13.120 -14.711 1.00 0.00 H new ATOM 921 N THR C 3 13.442 -19.676 -15.432 1.00 0.00 N ATOM 922 CA THR C 3 13.032 -21.067 -15.116 1.00 0.00 C ATOM 923 C THR C 3 13.986 -21.972 -14.326 1.00 0.00 C ATOM 924 O THR C 3 15.211 -21.843 -14.372 1.00 0.00 O ATOM 925 CB THR C 3 12.423 -21.830 -16.305 1.00 0.00 C ATOM 926 OG1 THR C 3 13.039 -21.591 -17.553 1.00 0.00 O ATOM 927 CG2 THR C 3 10.978 -21.379 -16.410 1.00 0.00 C ATOM 0 H THR C 3 12.768 -19.006 -15.061 1.00 0.00 H new ATOM 0 HA THR C 3 12.255 -20.837 -14.387 1.00 0.00 H new ATOM 0 HB THR C 3 12.556 -22.893 -16.106 1.00 0.00 H new ATOM 0 HG1 THR C 3 12.588 -22.117 -18.246 1.00 0.00 H new ATOM 0 HG21 THR C 3 10.496 -21.892 -17.242 1.00 0.00 H new ATOM 0 HG22 THR C 3 10.454 -21.618 -15.484 1.00 0.00 H new ATOM 0 HG23 THR C 3 10.944 -20.303 -16.579 1.00 0.00 H new HETATM 935 N MLY C 4 13.367 -22.898 -13.574 1.00 0.00 N HETATM 936 CA MLY C 4 14.021 -23.853 -12.689 1.00 0.00 C HETATM 937 CB MLY C 4 14.324 -23.169 -11.339 1.00 0.00 C HETATM 938 CG MLY C 4 13.143 -23.136 -10.361 1.00 0.00 C HETATM 939 CD MLY C 4 13.426 -22.138 -9.219 1.00 0.00 C HETATM 940 CE MLY C 4 13.010 -22.705 -7.840 1.00 0.00 C HETATM 941 NZ MLY C 4 13.249 -21.794 -6.675 1.00 0.00 N HETATM 942 CH1 MLY C 4 14.667 -21.348 -6.576 1.00 0.00 C HETATM 943 CH2 MLY C 4 12.337 -20.614 -6.667 1.00 0.00 C HETATM 944 C MLY C 4 13.161 -25.114 -12.539 1.00 0.00 C HETATM 945 O MLY C 4 11.940 -25.066 -12.696 1.00 0.00 O HETATM 0 HH23 MLY C 4 12.484 -20.034 -7.578 1.00 0.00 H new HETATM 0 HH22 MLY C 4 11.303 -20.954 -6.616 1.00 0.00 H new HETATM 0 HH21 MLY C 4 12.557 -19.990 -5.801 1.00 0.00 H new HETATM 0 HH13 MLY C 4 15.314 -22.217 -6.458 1.00 0.00 H new HETATM 0 HH12 MLY C 4 14.943 -20.810 -7.483 1.00 0.00 H new HETATM 0 HH11 MLY C 4 14.782 -20.690 -5.714 1.00 0.00 H new HETATM 0 HG3 MLY C 4 12.233 -22.849 -10.888 1.00 0.00 H new HETATM 0 HG2 MLY C 4 12.973 -24.131 -9.950 1.00 0.00 H new HETATM 0 HE3 MLY C 4 11.950 -22.955 -7.873 1.00 0.00 H new HETATM 0 HE2 MLY C 4 13.552 -23.635 -7.670 1.00 0.00 H new HETATM 0 HD3 MLY C 4 14.488 -21.894 -9.205 1.00 0.00 H new HETATM 0 HD2 MLY C 4 12.888 -21.209 -9.407 1.00 0.00 H new HETATM 0 HB3 MLY C 4 15.158 -23.686 -10.864 1.00 0.00 H new HETATM 0 HB2 MLY C 4 14.650 -22.146 -11.530 1.00 0.00 H new HETATM 0 HA MLY C 4 14.971 -24.176 -13.115 1.00 0.00 H new ATOM 963 N GLN C 5 13.809 -26.232 -12.193 1.00 0.00 N ATOM 964 CA GLN C 5 13.182 -27.542 -11.961 1.00 0.00 C ATOM 965 C GLN C 5 13.870 -28.281 -10.801 1.00 0.00 C ATOM 966 O GLN C 5 15.089 -28.187 -10.630 1.00 0.00 O ATOM 967 CB GLN C 5 13.274 -28.412 -13.231 1.00 0.00 C ATOM 968 CG GLN C 5 12.358 -27.968 -14.380 1.00 0.00 C ATOM 969 CD GLN C 5 12.744 -28.649 -15.690 1.00 0.00 C ATOM 970 OE1 GLN C 5 12.206 -29.679 -16.073 1.00 0.00 O ATOM 971 NE2 GLN C 5 13.691 -28.115 -16.432 1.00 0.00 N ATOM 0 H GLN C 5 14.820 -26.252 -12.062 1.00 0.00 H new ATOM 0 HA GLN C 5 12.136 -27.369 -11.707 1.00 0.00 H new ATOM 0 HB2 GLN C 5 14.305 -28.408 -13.584 1.00 0.00 H new ATOM 0 HB3 GLN C 5 13.031 -29.442 -12.968 1.00 0.00 H new ATOM 0 HG2 GLN C 5 11.323 -28.205 -14.135 1.00 0.00 H new ATOM 0 HG3 GLN C 5 12.418 -26.886 -14.498 1.00 0.00 H new ATOM 0 HE21 GLN C 5 14.152 -27.257 -16.131 1.00 0.00 H new ATOM 0 HE22 GLN C 5 13.964 -28.560 -17.308 1.00 0.00 H new ATOM 980 N THR C 6 13.115 -29.083 -10.047 1.00 0.00 N ATOM 981 CA THR C 6 13.621 -29.965 -8.969 1.00 0.00 C ATOM 982 C THR C 6 14.238 -31.277 -9.504 1.00 0.00 C ATOM 983 O THR C 6 13.979 -32.365 -8.976 1.00 0.00 O ATOM 984 CB THR C 6 12.532 -30.221 -7.906 1.00 0.00 C ATOM 985 OG1 THR C 6 11.393 -30.843 -8.472 1.00 0.00 O ATOM 986 CG2 THR C 6 12.080 -28.925 -7.229 1.00 0.00 C ATOM 0 H THR C 6 12.104 -29.146 -10.165 1.00 0.00 H new ATOM 0 HA THR C 6 14.440 -29.435 -8.483 1.00 0.00 H new ATOM 0 HB THR C 6 12.984 -30.879 -7.164 1.00 0.00 H new ATOM 0 HG1 THR C 6 10.722 -30.994 -7.774 1.00 0.00 H new ATOM 0 HG21 THR C 6 11.313 -29.150 -6.488 1.00 0.00 H new ATOM 0 HG22 THR C 6 12.932 -28.455 -6.738 1.00 0.00 H new ATOM 0 HG23 THR C 6 11.673 -28.246 -7.978 1.00 0.00 H new ATOM 994 N ALA C 7 15.047 -31.175 -10.570 1.00 0.00 N ATOM 995 CA ALA C 7 15.596 -32.277 -11.377 1.00 0.00 C ATOM 996 C ALA C 7 14.520 -33.209 -12.003 1.00 0.00 C ATOM 997 O ALA C 7 13.314 -32.945 -11.923 1.00 0.00 O ATOM 998 CB ALA C 7 16.672 -33.017 -10.557 1.00 0.00 C ATOM 0 H ALA C 7 15.354 -30.265 -10.913 1.00 0.00 H new ATOM 0 HA ALA C 7 16.073 -31.847 -12.258 1.00 0.00 H new ATOM 0 HB1 ALA C 7 17.083 -33.835 -11.149 1.00 0.00 H new ATOM 0 HB2 ALA C 7 17.470 -32.323 -10.294 1.00 0.00 H new ATOM 0 HB3 ALA C 7 16.225 -33.417 -9.647 1.00 0.00 H new ATOM 1004 N ARG C 8 14.963 -34.286 -12.670 1.00 0.00 N ATOM 1005 CA ARG C 8 14.123 -35.314 -13.325 1.00 0.00 C ATOM 1006 C ARG C 8 14.593 -36.737 -12.981 1.00 0.00 C ATOM 1007 O ARG C 8 15.769 -36.948 -12.668 1.00 0.00 O ATOM 1008 CB ARG C 8 14.101 -35.101 -14.853 1.00 0.00 C ATOM 1009 CG ARG C 8 13.445 -33.773 -15.271 1.00 0.00 C ATOM 1010 CD ARG C 8 13.305 -33.677 -16.796 1.00 0.00 C ATOM 1011 NE ARG C 8 12.676 -32.402 -17.191 1.00 0.00 N ATOM 1012 CZ ARG C 8 12.150 -32.089 -18.362 1.00 0.00 C ATOM 1013 NH1 ARG C 8 12.123 -32.904 -19.377 1.00 0.00 N1+ ATOM 1014 NH2 ARG C 8 11.633 -30.908 -18.514 1.00 0.00 N ATOM 0 H ARG C 8 15.959 -34.477 -12.775 1.00 0.00 H new ATOM 0 HA ARG C 8 13.108 -35.204 -12.942 1.00 0.00 H new ATOM 0 HB2 ARG C 8 15.123 -35.129 -15.232 1.00 0.00 H new ATOM 0 HB3 ARG C 8 13.565 -35.927 -15.321 1.00 0.00 H new ATOM 0 HG2 ARG C 8 12.462 -33.688 -14.807 1.00 0.00 H new ATOM 0 HG3 ARG C 8 14.043 -32.938 -14.905 1.00 0.00 H new ATOM 0 HD2 ARG C 8 14.287 -33.761 -17.261 1.00 0.00 H new ATOM 0 HD3 ARG C 8 12.706 -34.511 -17.163 1.00 0.00 H new ATOM 0 HE ARG C 8 12.643 -31.676 -16.475 1.00 0.00 H new ATOM 0 HH11 ARG C 8 12.522 -33.839 -19.291 1.00 0.00 H new ATOM 0 HH12 ARG C 8 11.703 -32.608 -20.258 1.00 0.00 H new ATOM 0 HH21 ARG C 8 11.639 -30.245 -17.739 1.00 0.00 H new ATOM 0 HH22 ARG C 8 11.221 -30.643 -19.409 1.00 0.00 H new ATOM 1028 N LYS C 9 13.678 -37.712 -13.053 1.00 0.00 N ATOM 1029 CA LYS C 9 13.953 -39.142 -12.804 1.00 0.00 C ATOM 1030 C LYS C 9 14.877 -39.781 -13.856 1.00 0.00 C ATOM 1031 O LYS C 9 15.009 -39.276 -14.973 1.00 0.00 O ATOM 1032 CB LYS C 9 12.629 -39.919 -12.637 1.00 0.00 C ATOM 1033 CG LYS C 9 11.797 -40.046 -13.925 1.00 0.00 C ATOM 1034 CD LYS C 9 10.508 -40.841 -13.661 1.00 0.00 C ATOM 1035 CE LYS C 9 9.692 -41.105 -14.938 1.00 0.00 C ATOM 1036 NZ LYS C 9 9.060 -39.873 -15.488 1.00 0.00 N1+ ATOM 0 H LYS C 9 12.703 -37.530 -13.291 1.00 0.00 H new ATOM 0 HA LYS C 9 14.510 -39.204 -11.869 1.00 0.00 H new ATOM 0 HB2 LYS C 9 12.853 -40.918 -12.264 1.00 0.00 H new ATOM 0 HB3 LYS C 9 12.025 -39.424 -11.877 1.00 0.00 H new ATOM 0 HG2 LYS C 9 11.548 -39.054 -14.303 1.00 0.00 H new ATOM 0 HG3 LYS C 9 12.385 -40.543 -14.697 1.00 0.00 H new ATOM 0 HD2 LYS C 9 10.764 -41.793 -13.197 1.00 0.00 H new ATOM 0 HD3 LYS C 9 9.890 -40.295 -12.948 1.00 0.00 H new ATOM 0 HE2 LYS C 9 10.343 -41.542 -15.695 1.00 0.00 H new ATOM 0 HE3 LYS C 9 8.916 -41.840 -14.722 1.00 0.00 H new ATOM 0 HZ1 LYS C 9 8.524 -40.112 -16.347 1.00 0.00 H new ATOM 0 HZ2 LYS C 9 8.416 -39.467 -14.779 1.00 0.00 H new ATOM 0 HZ3 LYS C 9 9.798 -39.179 -15.722 1.00 0.00 H new ATOM 1050 N SER C 10 15.483 -40.914 -13.502 1.00 0.00 N ATOM 1051 CA SER C 10 16.404 -41.694 -14.347 1.00 0.00 C ATOM 1052 C SER C 10 16.383 -43.196 -14.000 1.00 0.00 C ATOM 1053 O SER C 10 15.918 -43.596 -12.924 1.00 0.00 O ATOM 1054 CB SER C 10 17.828 -41.126 -14.234 1.00 0.00 C ATOM 1055 OG SER C 10 18.327 -41.226 -12.905 1.00 0.00 O ATOM 0 H SER C 10 15.344 -41.335 -12.583 1.00 0.00 H new ATOM 0 HA SER C 10 16.064 -41.605 -15.379 1.00 0.00 H new ATOM 0 HB2 SER C 10 18.490 -41.663 -14.913 1.00 0.00 H new ATOM 0 HB3 SER C 10 17.830 -40.082 -14.547 1.00 0.00 H new ATOM 0 HG SER C 10 19.234 -40.858 -12.868 1.00 0.00 H new ATOM 1061 N THR C 11 16.865 -44.036 -14.930 1.00 0.00 N ATOM 1062 CA THR C 11 16.977 -45.504 -14.769 1.00 0.00 C ATOM 1063 C THR C 11 18.177 -45.887 -13.896 1.00 0.00 C ATOM 1064 O THR C 11 19.322 -45.499 -14.232 1.00 0.00 O ATOM 1065 CB THR C 11 17.058 -46.206 -16.134 1.00 0.00 C ATOM 1066 OG1 THR C 11 15.861 -45.966 -16.854 1.00 0.00 O ATOM 1067 CG2 THR C 11 17.207 -47.727 -16.024 1.00 0.00 C ATOM 0 H THR C 11 17.197 -43.711 -15.838 1.00 0.00 H new ATOM 0 HA THR C 11 16.074 -45.842 -14.261 1.00 0.00 H new ATOM 0 HB THR C 11 17.939 -45.802 -16.632 1.00 0.00 H new ATOM 0 HG1 THR C 11 15.909 -46.411 -17.726 1.00 0.00 H new ATOM 0 HG21 THR C 11 17.258 -48.161 -17.023 1.00 0.00 H new ATOM 0 HG22 THR C 11 18.120 -47.965 -15.478 1.00 0.00 H new ATOM 0 HG23 THR C 11 16.349 -48.139 -15.493 1.00 0.00 H new HETATM 1075 N NH2 C 12 17.977 -46.576 -12.868 1.00 0.00 N TER 1078 NH2 C 12 HETATM 1079 ZN ZN A 800 5.676 -9.466 -12.328 1.00 0.00 ZN HETATM 1080 ZN ZN A 801 0.802 -21.879 -7.583 1.00 0.00 ZN