USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 666 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 18 LYS NZ :NH3+ 179:sc= -0.0532 (180deg=-0.0173) USER MOD Set 1.2: A 51 HIS : no HE2:sc= -5.15! C(o=-5.2!,f=-6.2!) USER MOD Single : A 1 GLY N :NH3+ -138:sc= -0.0259 (180deg=-0.92) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 148:sc= -0.357 (180deg=-2.1!) USER MOD Single : A 7 ASN : amide:sc= -3.62! C(o=-3.6!,f=-3.6!) USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.345) USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 15 ASN : amide:sc= -4.02! C(o=-4!,f=-2.5!) USER MOD Single : A 16 GLN : amide:sc= -0.143 K(o=-0.14,f=-0.96) USER MOD Single : A 19 GLN : amide:sc= -0.0649 K(o=-0.065,f=-0.89) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -6.54! C(o=-6.5!,f=-8.7!) USER MOD Single : A 30 GLN : amide:sc= -0.822 K(o=-0.82,f=-7.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -66:sc= 1.4 USER MOD Single : A 39 ASN : amide:sc= -3! C(o=-3!,f=-2.1!) USER MOD Single : A 40 SER OG : rot 52:sc= -0.25! USER MOD Single : A 44 MET CE :methyl 155:sc= -0.699 (180deg=-1.51) USER MOD Single : A 45 ASN : amide:sc= -7.86! C(o=-7.9!,f=-6.3!) USER MOD Single : A 46 GLN : amide:sc= -10.6! C(o=-11!,f=-7.9!) USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= -0.742 (180deg=-1.25!) USER MOD Single : A 57 HIS : no HD1:sc= -0.642 K(o=-0.64,f=0.069) USER MOD Single : A 60 MET CE :methyl 149:sc= -1.96 (180deg=-3.41) USER MOD Single : A 61 CYS SG : rot -74:sc= -0.481 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -149:sc= -4.25! USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= -1.35 (180deg=-1.84) USER MOD Single : A 72 HIS : no HE2:sc= 0.962 K(o=0.96,f=-6.1!) USER MOD Single : A 73 LYS NZ :NH3+ 148:sc= -2.13 (180deg=-3.15!) USER MOD Single : A 75 ASN : amide:sc= -0.825 K(o=-0.82,f=-1.7) USER MOD Single : A 77 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.68) USER MOD Single : A 79 ASN : amide:sc= -7.62! K(o=-7.6!,f=-1.9) USER MOD Single : A 80 LYS NZ :NH3+ -149:sc= -0.192 (180deg=-0.882) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.623 63.762 -3.987 1.00 0.00 N ATOM 2 CA GLY A 1 4.516 62.748 -3.357 1.00 0.00 C ATOM 3 C GLY A 1 5.294 63.384 -2.208 1.00 0.00 C ATOM 4 O GLY A 1 6.479 63.690 -2.342 1.00 0.00 O ATOM 0 H1 GLY A 1 2.698 63.332 -4.190 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.497 64.565 -3.338 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.050 64.098 -4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.925 61.910 -2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.207 62.348 -4.099 1.00 0.00 H new ATOM 10 N PRO A 2 4.651 63.582 -1.088 1.00 0.00 N ATOM 11 CA PRO A 2 5.292 64.188 0.115 1.00 0.00 C ATOM 12 C PRO A 2 6.177 63.191 0.865 1.00 0.00 C ATOM 13 O PRO A 2 6.836 63.545 1.841 1.00 0.00 O ATOM 14 CB PRO A 2 4.099 64.611 0.971 1.00 0.00 C ATOM 15 CG PRO A 2 3.005 63.660 0.612 1.00 0.00 C ATOM 16 CD PRO A 2 3.238 63.251 -0.845 1.00 0.00 C ATOM 0 HA PRO A 2 5.958 65.012 -0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.337 64.555 2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.810 65.641 0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.020 62.788 1.266 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.029 64.130 0.731 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.045 62.189 -0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.579 63.794 -1.522 1.00 0.00 H new ATOM 24 N LEU A 3 6.179 61.943 0.402 1.00 0.00 N ATOM 25 CA LEU A 3 6.980 60.895 1.035 1.00 0.00 C ATOM 26 C LEU A 3 6.504 60.637 2.462 1.00 0.00 C ATOM 27 O LEU A 3 5.580 59.854 2.687 1.00 0.00 O ATOM 28 CB LEU A 3 8.462 61.287 1.049 1.00 0.00 C ATOM 29 CG LEU A 3 9.283 60.166 1.697 1.00 0.00 C ATOM 30 CD1 LEU A 3 9.475 59.017 0.707 1.00 0.00 C ATOM 31 CD2 LEU A 3 10.649 60.710 2.120 1.00 0.00 C ATOM 0 H LEU A 3 5.638 61.633 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 3 6.858 59.981 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.811 61.466 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.598 62.217 1.601 1.00 0.00 H new ATOM 0 HG LEU A 3 8.750 59.796 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.059 58.226 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.502 58.624 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.001 59.381 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.232 59.912 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.178 61.086 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.512 61.520 2.837 1.00 0.00 H new ATOM 43 N GLY A 4 7.146 61.290 3.426 1.00 0.00 N ATOM 44 CA GLY A 4 6.774 61.110 4.824 1.00 0.00 C ATOM 45 C GLY A 4 7.066 59.685 5.274 1.00 0.00 C ATOM 46 O GLY A 4 6.323 59.112 6.071 1.00 0.00 O ATOM 0 H GLY A 4 7.916 61.940 3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.325 61.815 5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.714 61.329 4.956 1.00 0.00 H new ATOM 50 N SER A 5 8.148 59.114 4.748 1.00 0.00 N ATOM 51 CA SER A 5 8.523 57.746 5.085 1.00 0.00 C ATOM 52 C SER A 5 7.274 56.884 5.213 1.00 0.00 C ATOM 53 O SER A 5 7.307 55.799 5.791 1.00 0.00 O ATOM 54 CB SER A 5 9.306 57.724 6.397 1.00 0.00 C ATOM 55 OG SER A 5 10.559 57.086 6.184 1.00 0.00 O ATOM 0 H SER A 5 8.776 59.576 4.090 1.00 0.00 H new ATOM 0 HA SER A 5 9.154 57.346 4.291 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.459 58.740 6.760 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.740 57.194 7.163 1.00 0.00 H new ATOM 0 HG SER A 5 11.065 57.071 7.023 1.00 0.00 H new ATOM 61 N MET A 6 6.172 57.388 4.669 1.00 0.00 N ATOM 62 CA MET A 6 4.899 56.683 4.719 1.00 0.00 C ATOM 63 C MET A 6 4.729 55.777 3.503 1.00 0.00 C ATOM 64 O MET A 6 4.778 56.238 2.362 1.00 0.00 O ATOM 65 CB MET A 6 3.763 57.708 4.764 1.00 0.00 C ATOM 66 CG MET A 6 2.411 56.998 4.693 1.00 0.00 C ATOM 67 SD MET A 6 1.097 58.239 4.587 1.00 0.00 S ATOM 68 CE MET A 6 1.600 58.967 3.007 1.00 0.00 C ATOM 0 H MET A 6 6.136 58.286 4.187 1.00 0.00 H new ATOM 0 HA MET A 6 4.876 56.059 5.612 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.827 58.293 5.681 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.860 58.406 3.933 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.377 56.339 3.825 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.268 56.373 5.574 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.718 59.315 2.469 1.00 0.00 H new ATOM 0 HE2 MET A 6 2.268 59.808 3.190 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.117 58.217 2.409 1.00 0.00 H new ATOM 78 N ASN A 7 4.520 54.485 3.752 1.00 0.00 N ATOM 79 CA ASN A 7 4.338 53.531 2.661 1.00 0.00 C ATOM 80 C ASN A 7 4.450 52.094 3.155 1.00 0.00 C ATOM 81 O ASN A 7 4.603 51.838 4.349 1.00 0.00 O ATOM 82 CB ASN A 7 5.385 53.769 1.572 1.00 0.00 C ATOM 83 CG ASN A 7 4.766 54.536 0.411 1.00 0.00 C ATOM 84 OD1 ASN A 7 5.089 55.703 0.192 1.00 0.00 O ATOM 85 ND2 ASN A 7 3.889 53.944 -0.355 1.00 0.00 N ATOM 0 H ASN A 7 4.473 54.079 4.687 1.00 0.00 H new ATOM 0 HA ASN A 7 3.338 53.683 2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 7 6.226 54.329 1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 7 5.778 52.815 1.220 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.471 54.449 -1.136 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.623 52.977 -0.172 1.00 0.00 H new ATOM 92 N LYS A 8 4.376 51.161 2.212 1.00 0.00 N ATOM 93 CA LYS A 8 4.471 49.743 2.530 1.00 0.00 C ATOM 94 C LYS A 8 5.923 49.319 2.703 1.00 0.00 C ATOM 95 O LYS A 8 6.844 50.087 2.426 1.00 0.00 O ATOM 96 CB LYS A 8 3.840 48.920 1.411 1.00 0.00 C ATOM 97 CG LYS A 8 2.334 49.176 1.366 1.00 0.00 C ATOM 98 CD LYS A 8 1.655 48.065 0.562 1.00 0.00 C ATOM 99 CE LYS A 8 2.114 48.125 -0.897 1.00 0.00 C ATOM 100 NZ LYS A 8 1.472 47.020 -1.662 1.00 0.00 N1+ ATOM 0 H LYS A 8 4.250 51.363 1.220 1.00 0.00 H new ATOM 0 HA LYS A 8 3.941 49.569 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.292 49.183 0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.033 47.860 1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.929 49.208 2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.132 50.145 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.899 47.093 0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.572 48.174 0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.848 49.087 -1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.199 48.038 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.013 46.840 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.456 46.158 -1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.498 47.289 -1.909 1.00 0.00 H new ATOM 114 N PHE A 9 6.113 48.087 3.161 1.00 0.00 N ATOM 115 CA PHE A 9 7.452 47.554 3.373 1.00 0.00 C ATOM 116 C PHE A 9 8.085 47.141 2.045 1.00 0.00 C ATOM 117 O PHE A 9 7.414 46.586 1.173 1.00 0.00 O ATOM 118 CB PHE A 9 7.375 46.341 4.303 1.00 0.00 C ATOM 119 CG PHE A 9 6.936 46.782 5.680 1.00 0.00 C ATOM 120 CD1 PHE A 9 5.573 46.865 5.986 1.00 0.00 C ATOM 121 CD2 PHE A 9 7.889 47.103 6.654 1.00 0.00 C ATOM 122 CE1 PHE A 9 5.164 47.271 7.264 1.00 0.00 C ATOM 123 CE2 PHE A 9 7.481 47.507 7.930 1.00 0.00 C ATOM 124 CZ PHE A 9 6.119 47.592 8.235 1.00 0.00 C ATOM 0 H PHE A 9 5.359 47.441 3.392 1.00 0.00 H new ATOM 0 HA PHE A 9 8.070 48.329 3.826 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.673 45.609 3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.347 45.852 4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.836 46.616 5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.941 47.039 6.420 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.112 47.336 7.499 1.00 0.00 H new ATOM 0 HE2 PHE A 9 8.218 47.753 8.680 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.804 47.905 9.220 1.00 0.00 H new ATOM 134 N THR A 10 9.379 47.412 1.904 1.00 0.00 N ATOM 135 CA THR A 10 10.103 47.065 0.684 1.00 0.00 C ATOM 136 C THR A 10 10.587 45.624 0.750 1.00 0.00 C ATOM 137 O THR A 10 10.556 45.002 1.809 1.00 0.00 O ATOM 138 CB THR A 10 11.310 47.988 0.513 1.00 0.00 C ATOM 139 OG1 THR A 10 12.193 47.813 1.610 1.00 0.00 O ATOM 140 CG2 THR A 10 10.843 49.443 0.452 1.00 0.00 C ATOM 0 H THR A 10 9.947 47.870 2.617 1.00 0.00 H new ATOM 0 HA THR A 10 9.427 47.182 -0.163 1.00 0.00 H new ATOM 0 HB THR A 10 11.828 47.742 -0.414 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.969 48.402 1.503 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.706 50.097 0.330 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.167 49.573 -0.393 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.323 49.697 1.375 1.00 0.00 H new ATOM 148 N ASP A 11 11.029 45.088 -0.383 1.00 0.00 N ATOM 149 CA ASP A 11 11.512 43.718 -0.417 1.00 0.00 C ATOM 150 C ASP A 11 12.590 43.517 0.641 1.00 0.00 C ATOM 151 O ASP A 11 12.616 42.493 1.325 1.00 0.00 O ATOM 152 CB ASP A 11 12.084 43.404 -1.800 1.00 0.00 C ATOM 153 CG ASP A 11 11.000 43.568 -2.859 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.857 43.254 -2.563 1.00 0.00 O ATOM 155 OD2 ASP A 11 11.324 44.014 -3.946 1.00 0.00 O1- ATOM 0 H ASP A 11 11.062 45.576 -1.278 1.00 0.00 H new ATOM 0 HA ASP A 11 10.680 43.045 -0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.920 44.069 -2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.473 42.386 -1.820 1.00 0.00 H new ATOM 160 N ASP A 12 13.471 44.506 0.783 1.00 0.00 N ATOM 161 CA ASP A 12 14.532 44.421 1.778 1.00 0.00 C ATOM 162 C ASP A 12 13.938 44.451 3.177 1.00 0.00 C ATOM 163 O ASP A 12 14.295 43.647 4.033 1.00 0.00 O ATOM 164 CB ASP A 12 15.514 45.582 1.607 1.00 0.00 C ATOM 165 CG ASP A 12 16.294 45.416 0.308 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.173 44.366 -0.302 1.00 0.00 O1- ATOM 167 OD2 ASP A 12 17.000 46.340 -0.060 1.00 0.00 O ATOM 0 H ASP A 12 13.470 45.363 0.229 1.00 0.00 H new ATOM 0 HA ASP A 12 15.067 43.482 1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.973 46.528 1.598 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.201 45.616 2.452 1.00 0.00 H new ATOM 172 N GLU A 13 13.011 45.376 3.393 1.00 0.00 N ATOM 173 CA GLU A 13 12.359 45.491 4.686 1.00 0.00 C ATOM 174 C GLU A 13 11.540 44.239 4.958 1.00 0.00 C ATOM 175 O GLU A 13 11.504 43.724 6.076 1.00 0.00 O ATOM 176 CB GLU A 13 11.436 46.705 4.675 1.00 0.00 C ATOM 177 CG GLU A 13 12.263 47.981 4.517 1.00 0.00 C ATOM 178 CD GLU A 13 11.339 49.180 4.330 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.150 48.964 4.159 1.00 0.00 O1- ATOM 180 OE2 GLU A 13 11.832 50.295 4.357 1.00 0.00 O ATOM 0 H GLU A 13 12.698 46.051 2.695 1.00 0.00 H new ATOM 0 HA GLU A 13 13.113 45.606 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.719 46.621 3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.861 46.745 5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.891 48.129 5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.930 47.888 3.660 1.00 0.00 H new ATOM 187 N TRP A 14 10.881 43.759 3.914 1.00 0.00 N ATOM 188 CA TRP A 14 10.057 42.575 4.013 1.00 0.00 C ATOM 189 C TRP A 14 10.912 41.365 4.347 1.00 0.00 C ATOM 190 O TRP A 14 10.579 40.590 5.240 1.00 0.00 O ATOM 191 CB TRP A 14 9.335 42.365 2.687 1.00 0.00 C ATOM 192 CG TRP A 14 8.072 41.596 2.901 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.738 40.470 2.234 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.971 41.877 3.817 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.496 40.043 2.674 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.986 40.875 3.648 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.724 42.893 4.765 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.807 40.877 4.389 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.536 42.895 5.512 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.580 41.888 5.325 1.00 0.00 C ATOM 0 H TRP A 14 10.905 44.178 2.985 1.00 0.00 H new ATOM 0 HA TRP A 14 9.325 42.703 4.811 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.109 43.329 2.231 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.982 41.829 1.993 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.340 39.983 1.481 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.017 39.214 2.321 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.454 43.674 4.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.072 40.100 4.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.358 43.677 6.235 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.668 41.894 5.904 1.00 0.00 H new ATOM 211 N ASN A 15 12.023 41.210 3.634 1.00 0.00 N ATOM 212 CA ASN A 15 12.920 40.088 3.875 1.00 0.00 C ATOM 213 C ASN A 15 13.326 40.048 5.340 1.00 0.00 C ATOM 214 O ASN A 15 13.409 38.984 5.952 1.00 0.00 O ATOM 215 CB ASN A 15 14.175 40.250 3.019 1.00 0.00 C ATOM 216 CG ASN A 15 13.824 40.181 1.536 1.00 0.00 C ATOM 217 OD1 ASN A 15 14.662 40.485 0.685 1.00 0.00 O ATOM 218 ND2 ASN A 15 12.632 39.802 1.169 1.00 0.00 N ATOM 0 H ASN A 15 12.321 41.842 2.891 1.00 0.00 H new ATOM 0 HA ASN A 15 12.405 39.163 3.616 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.653 41.204 3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.894 39.468 3.265 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.394 39.757 0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.938 39.550 1.873 1.00 0.00 H new ATOM 225 N GLN A 16 13.559 41.229 5.892 1.00 0.00 N ATOM 226 CA GLN A 16 13.940 41.346 7.291 1.00 0.00 C ATOM 227 C GLN A 16 12.791 40.857 8.163 1.00 0.00 C ATOM 228 O GLN A 16 12.995 40.136 9.140 1.00 0.00 O ATOM 229 CB GLN A 16 14.261 42.803 7.608 1.00 0.00 C ATOM 230 CG GLN A 16 15.442 43.250 6.748 1.00 0.00 C ATOM 231 CD GLN A 16 15.462 44.768 6.637 1.00 0.00 C ATOM 232 OE1 GLN A 16 14.896 45.460 7.481 1.00 0.00 O ATOM 233 NE2 GLN A 16 16.078 45.326 5.632 1.00 0.00 N ATOM 0 H GLN A 16 13.491 42.117 5.395 1.00 0.00 H new ATOM 0 HA GLN A 16 14.823 40.739 7.490 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.392 43.431 7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.502 42.914 8.665 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.375 42.897 7.186 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.368 42.806 5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.546 44.746 4.935 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.092 46.342 5.543 1.00 0.00 H new ATOM 242 N LEU A 17 11.579 41.252 7.787 1.00 0.00 N ATOM 243 CA LEU A 17 10.388 40.847 8.523 1.00 0.00 C ATOM 244 C LEU A 17 10.260 39.328 8.506 1.00 0.00 C ATOM 245 O LEU A 17 9.891 38.711 9.505 1.00 0.00 O ATOM 246 CB LEU A 17 9.147 41.467 7.876 1.00 0.00 C ATOM 247 CG LEU A 17 7.899 41.096 8.682 1.00 0.00 C ATOM 248 CD1 LEU A 17 7.828 41.955 9.943 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.654 41.345 7.830 1.00 0.00 C ATOM 0 H LEU A 17 11.396 41.849 6.981 1.00 0.00 H new ATOM 0 HA LEU A 17 10.473 41.191 9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.253 42.551 7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.046 41.114 6.850 1.00 0.00 H new ATOM 0 HG LEU A 17 7.949 40.044 8.963 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.939 41.689 10.515 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.716 41.782 10.551 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.778 43.008 9.664 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.764 41.082 8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.608 42.398 7.551 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.701 40.733 6.929 1.00 0.00 H new ATOM 261 N LYS A 18 10.574 38.730 7.361 1.00 0.00 N ATOM 262 CA LYS A 18 10.497 37.282 7.222 1.00 0.00 C ATOM 263 C LYS A 18 11.416 36.611 8.231 1.00 0.00 C ATOM 264 O LYS A 18 11.032 35.650 8.891 1.00 0.00 O ATOM 265 CB LYS A 18 10.923 36.868 5.815 1.00 0.00 C ATOM 266 CG LYS A 18 9.967 37.474 4.791 1.00 0.00 C ATOM 267 CD LYS A 18 10.346 37.002 3.389 1.00 0.00 C ATOM 268 CE LYS A 18 9.511 37.762 2.359 1.00 0.00 C ATOM 269 NZ LYS A 18 8.899 36.796 1.405 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.882 39.222 6.522 1.00 0.00 H new ATOM 0 HA LYS A 18 9.467 36.972 7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.942 37.203 5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.923 35.781 5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.942 37.181 5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.007 38.562 4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.408 37.171 3.210 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.174 35.930 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.732 38.338 2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.137 38.473 1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.317 37.312 0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.650 36.277 0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.302 36.123 1.927 1.00 0.00 H new ATOM 283 N GLN A 19 12.632 37.130 8.344 1.00 0.00 N ATOM 284 CA GLN A 19 13.594 36.566 9.275 1.00 0.00 C ATOM 285 C GLN A 19 13.035 36.624 10.687 1.00 0.00 C ATOM 286 O GLN A 19 13.154 35.668 11.452 1.00 0.00 O ATOM 287 CB GLN A 19 14.902 37.355 9.207 1.00 0.00 C ATOM 288 CG GLN A 19 15.456 37.304 7.784 1.00 0.00 C ATOM 289 CD GLN A 19 15.993 35.909 7.479 1.00 0.00 C ATOM 290 OE1 GLN A 19 16.624 35.286 8.331 1.00 0.00 O ATOM 291 NE2 GLN A 19 15.782 35.384 6.303 1.00 0.00 N ATOM 0 H GLN A 19 12.970 37.930 7.809 1.00 0.00 H new ATOM 0 HA GLN A 19 13.786 35.527 9.006 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.731 38.389 9.505 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.627 36.938 9.906 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.673 37.564 7.071 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.251 38.041 7.668 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.258 35.904 5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 19 16.141 34.454 6.088 1.00 0.00 H new ATOM 300 N ASP A 20 12.418 37.749 11.025 1.00 0.00 N ATOM 301 CA ASP A 20 11.841 37.914 12.348 1.00 0.00 C ATOM 302 C ASP A 20 10.746 36.877 12.579 1.00 0.00 C ATOM 303 O ASP A 20 10.676 36.264 13.643 1.00 0.00 O ATOM 304 CB ASP A 20 11.268 39.323 12.479 1.00 0.00 C ATOM 305 CG ASP A 20 12.389 40.346 12.334 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.537 39.962 12.490 1.00 0.00 O ATOM 307 OD2 ASP A 20 12.085 41.495 12.062 1.00 0.00 O1- ATOM 0 H ASP A 20 12.306 38.552 10.406 1.00 0.00 H new ATOM 0 HA ASP A 20 12.617 37.769 13.099 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.508 39.490 11.715 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.779 39.439 13.446 1.00 0.00 H new ATOM 312 N PHE A 21 9.900 36.670 11.572 1.00 0.00 N ATOM 313 CA PHE A 21 8.833 35.686 11.690 1.00 0.00 C ATOM 314 C PHE A 21 9.452 34.307 11.861 1.00 0.00 C ATOM 315 O PHE A 21 9.075 33.543 12.748 1.00 0.00 O ATOM 316 CB PHE A 21 7.941 35.710 10.445 1.00 0.00 C ATOM 317 CG PHE A 21 6.991 36.892 10.497 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.386 38.101 11.089 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.708 36.775 9.946 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.504 39.185 11.127 1.00 0.00 C ATOM 321 CE2 PHE A 21 4.824 37.864 9.986 1.00 0.00 C ATOM 322 CZ PHE A 21 5.223 39.068 10.576 1.00 0.00 C ATOM 0 H PHE A 21 9.933 37.163 10.680 1.00 0.00 H new ATOM 0 HA PHE A 21 8.215 35.924 12.556 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.558 35.771 9.549 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.373 34.782 10.379 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.373 38.194 11.516 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.399 35.846 9.490 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.812 40.115 11.583 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.835 37.773 9.561 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.543 39.906 10.606 1.00 0.00 H new ATOM 332 N ILE A 22 10.433 34.018 11.018 1.00 0.00 N ATOM 333 CA ILE A 22 11.138 32.748 11.092 1.00 0.00 C ATOM 334 C ILE A 22 11.772 32.597 12.472 1.00 0.00 C ATOM 335 O ILE A 22 11.639 31.561 13.122 1.00 0.00 O ATOM 336 CB ILE A 22 12.210 32.683 10.000 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.538 32.695 8.626 1.00 0.00 C ATOM 338 CG2 ILE A 22 13.027 31.401 10.143 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.602 32.851 7.539 1.00 0.00 C ATOM 0 H ILE A 22 10.757 34.642 10.279 1.00 0.00 H new ATOM 0 HA ILE A 22 10.434 31.931 10.935 1.00 0.00 H new ATOM 0 HB ILE A 22 12.870 33.545 10.100 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.980 31.771 8.474 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.820 33.513 8.567 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.786 31.364 9.362 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.510 31.385 11.120 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.368 30.538 10.049 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.123 32.860 6.560 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.140 33.787 7.688 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.302 32.018 7.593 1.00 0.00 H new ATOM 351 N SER A 23 12.464 33.646 12.908 1.00 0.00 N ATOM 352 CA SER A 23 13.119 33.631 14.211 1.00 0.00 C ATOM 353 C SER A 23 12.107 33.333 15.317 1.00 0.00 C ATOM 354 O SER A 23 12.377 32.541 16.218 1.00 0.00 O ATOM 355 CB SER A 23 13.780 34.986 14.476 1.00 0.00 C ATOM 356 OG SER A 23 14.627 34.882 15.613 1.00 0.00 O ATOM 0 H SER A 23 12.585 34.511 12.382 1.00 0.00 H new ATOM 0 HA SER A 23 13.878 32.849 14.207 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.357 35.298 13.606 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.019 35.748 14.644 1.00 0.00 H new ATOM 0 HG SER A 23 15.053 35.748 15.784 1.00 0.00 H new ATOM 362 N GLY A 24 10.942 33.970 15.239 1.00 0.00 N ATOM 363 CA GLY A 24 9.896 33.765 16.239 1.00 0.00 C ATOM 364 C GLY A 24 9.371 32.330 16.214 1.00 0.00 C ATOM 365 O GLY A 24 9.057 31.758 17.257 1.00 0.00 O ATOM 0 H GLY A 24 10.698 34.629 14.499 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.289 33.993 17.230 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.075 34.457 16.055 1.00 0.00 H new ATOM 369 N ILE A 25 9.288 31.752 15.020 1.00 0.00 N ATOM 370 CA ILE A 25 8.802 30.382 14.872 1.00 0.00 C ATOM 371 C ILE A 25 9.822 29.393 15.410 1.00 0.00 C ATOM 372 O ILE A 25 9.467 28.405 16.049 1.00 0.00 O ATOM 373 CB ILE A 25 8.545 30.088 13.390 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.336 30.891 12.896 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.299 28.593 13.190 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.130 30.638 13.804 1.00 0.00 C ATOM 0 H ILE A 25 9.549 32.206 14.145 1.00 0.00 H new ATOM 0 HA ILE A 25 7.876 30.277 15.438 1.00 0.00 H new ATOM 0 HB ILE A 25 9.422 30.383 12.814 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.576 31.954 12.885 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.095 30.608 11.871 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.117 28.392 12.134 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.174 28.033 13.520 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.430 28.286 13.773 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.277 31.213 13.444 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.883 29.576 13.793 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.371 30.944 14.822 1.00 0.00 H new ATOM 388 N LEU A 26 11.089 29.672 15.154 1.00 0.00 N ATOM 389 CA LEU A 26 12.158 28.808 15.625 1.00 0.00 C ATOM 390 C LEU A 26 12.462 29.106 17.091 1.00 0.00 C ATOM 391 O LEU A 26 12.980 28.259 17.815 1.00 0.00 O ATOM 392 CB LEU A 26 13.406 29.017 14.760 1.00 0.00 C ATOM 393 CG LEU A 26 14.384 29.959 15.467 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.142 29.192 16.556 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.377 30.517 14.446 1.00 0.00 C ATOM 0 H LEU A 26 11.402 30.486 14.625 1.00 0.00 H new ATOM 0 HA LEU A 26 11.846 27.767 15.544 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.888 28.059 14.566 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.123 29.433 13.793 1.00 0.00 H new ATOM 0 HG LEU A 26 13.832 30.780 15.925 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.838 29.865 17.058 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.433 28.796 17.283 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.696 28.369 16.103 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.075 31.188 14.946 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.928 29.696 13.988 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.836 31.065 13.675 1.00 0.00 H new ATOM 407 N GLU A 27 12.142 30.327 17.513 1.00 0.00 N ATOM 408 CA GLU A 27 12.386 30.744 18.889 1.00 0.00 C ATOM 409 C GLU A 27 11.429 30.053 19.857 1.00 0.00 C ATOM 410 O GLU A 27 11.816 29.681 20.963 1.00 0.00 O ATOM 411 CB GLU A 27 12.212 32.261 19.003 1.00 0.00 C ATOM 412 CG GLU A 27 12.325 32.679 20.469 1.00 0.00 C ATOM 413 CD GLU A 27 11.004 32.423 21.188 1.00 0.00 C ATOM 414 OE1 GLU A 27 10.021 32.174 20.509 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 10.994 32.478 22.407 1.00 0.00 O ATOM 0 H GLU A 27 11.715 31.042 16.924 1.00 0.00 H new ATOM 0 HA GLU A 27 13.405 30.461 19.153 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.971 32.770 18.409 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.242 32.557 18.603 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.126 32.122 20.954 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.586 33.735 20.535 1.00 0.00 H new ATOM 422 N ASN A 28 10.177 29.892 19.438 1.00 0.00 N ATOM 423 CA ASN A 28 9.177 29.253 20.288 1.00 0.00 C ATOM 424 C ASN A 28 9.160 27.739 20.086 1.00 0.00 C ATOM 425 O ASN A 28 9.618 27.228 19.065 1.00 0.00 O ATOM 426 CB ASN A 28 7.793 29.825 19.980 1.00 0.00 C ATOM 427 CG ASN A 28 7.354 29.401 18.583 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.060 28.652 17.910 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.225 29.845 18.101 1.00 0.00 N ATOM 0 H ASN A 28 9.833 30.191 18.526 1.00 0.00 H new ATOM 0 HA ASN A 28 9.439 29.456 21.326 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.073 29.474 20.719 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.816 30.913 20.049 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.927 29.571 17.165 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.641 30.466 18.661 1.00 0.00 H new ATOM 436 N GLU A 29 8.614 27.029 21.067 1.00 0.00 N ATOM 437 CA GLU A 29 8.524 25.575 20.993 1.00 0.00 C ATOM 438 C GLU A 29 7.654 25.152 19.814 1.00 0.00 C ATOM 439 O GLU A 29 7.854 24.088 19.229 1.00 0.00 O ATOM 440 CB GLU A 29 7.932 25.031 22.295 1.00 0.00 C ATOM 441 CG GLU A 29 7.898 23.503 22.252 1.00 0.00 C ATOM 442 CD GLU A 29 7.309 22.964 23.551 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.818 23.763 24.331 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 7.359 21.762 23.748 1.00 0.00 O ATOM 0 H GLU A 29 8.228 27.434 21.920 1.00 0.00 H new ATOM 0 HA GLU A 29 9.525 25.168 20.849 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.528 25.367 23.144 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.925 25.422 22.438 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.301 23.167 21.404 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.905 23.111 22.108 1.00 0.00 H new ATOM 451 N GLN A 30 6.684 25.993 19.475 1.00 0.00 N ATOM 452 CA GLN A 30 5.778 25.701 18.369 1.00 0.00 C ATOM 453 C GLN A 30 6.549 25.445 17.078 1.00 0.00 C ATOM 454 O GLN A 30 5.957 25.110 16.053 1.00 0.00 O ATOM 455 CB GLN A 30 4.813 26.867 18.161 1.00 0.00 C ATOM 456 CG GLN A 30 3.899 27.006 19.379 1.00 0.00 C ATOM 457 CD GLN A 30 2.921 28.154 19.158 1.00 0.00 C ATOM 458 OE1 GLN A 30 2.978 28.830 18.132 1.00 0.00 O ATOM 459 NE2 GLN A 30 2.022 28.418 20.068 1.00 0.00 N ATOM 0 H GLN A 30 6.504 26.879 19.947 1.00 0.00 H new ATOM 0 HA GLN A 30 5.218 24.801 18.623 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.372 27.790 18.007 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.216 26.702 17.264 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.353 26.077 19.544 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.494 27.189 20.274 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.977 27.856 20.918 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.365 29.186 19.929 1.00 0.00 H new ATOM 468 N LYS A 31 7.868 25.602 17.131 1.00 0.00 N ATOM 469 CA LYS A 31 8.702 25.377 15.954 1.00 0.00 C ATOM 470 C LYS A 31 8.488 23.961 15.426 1.00 0.00 C ATOM 471 O LYS A 31 8.626 23.703 14.230 1.00 0.00 O ATOM 472 CB LYS A 31 10.174 25.559 16.321 1.00 0.00 C ATOM 473 CG LYS A 31 10.605 24.393 17.208 1.00 0.00 C ATOM 474 CD LYS A 31 12.037 24.611 17.700 1.00 0.00 C ATOM 475 CE LYS A 31 12.468 23.401 18.531 1.00 0.00 C ATOM 476 NZ LYS A 31 13.924 23.496 18.839 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.379 25.882 17.968 1.00 0.00 H new ATOM 0 HA LYS A 31 8.425 26.097 15.184 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.786 25.595 15.420 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.319 26.505 16.843 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.929 24.303 18.059 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.542 23.458 16.651 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.710 24.745 16.853 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.095 25.519 18.300 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.893 23.359 19.456 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.261 22.480 17.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.214 22.672 19.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.466 23.515 17.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.109 24.367 19.377 1.00 0.00 H new ATOM 490 N ASP A 32 8.157 23.046 16.333 1.00 0.00 N ATOM 491 CA ASP A 32 7.928 21.654 15.958 1.00 0.00 C ATOM 492 C ASP A 32 6.829 21.547 14.908 1.00 0.00 C ATOM 493 O ASP A 32 6.905 20.728 13.994 1.00 0.00 O ATOM 494 CB ASP A 32 7.511 20.848 17.193 1.00 0.00 C ATOM 495 CG ASP A 32 8.683 20.713 18.160 1.00 0.00 C ATOM 496 OD1 ASP A 32 9.811 20.852 17.717 1.00 0.00 O1- ATOM 497 OD2 ASP A 32 8.435 20.464 19.328 1.00 0.00 O ATOM 0 H ASP A 32 8.042 23.242 17.327 1.00 0.00 H new ATOM 0 HA ASP A 32 8.855 21.258 15.544 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.675 21.340 17.691 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.165 19.860 16.890 1.00 0.00 H new ATOM 502 N LEU A 33 5.801 22.370 15.062 1.00 0.00 N ATOM 503 CA LEU A 33 4.667 22.355 14.144 1.00 0.00 C ATOM 504 C LEU A 33 5.107 22.579 12.696 1.00 0.00 C ATOM 505 O LEU A 33 4.676 21.866 11.785 1.00 0.00 O ATOM 506 CB LEU A 33 3.677 23.451 14.550 1.00 0.00 C ATOM 507 CG LEU A 33 3.245 23.241 16.005 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.190 24.283 16.382 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.652 21.840 16.164 1.00 0.00 C ATOM 0 H LEU A 33 5.727 23.056 15.813 1.00 0.00 H new ATOM 0 HA LEU A 33 4.196 21.374 14.203 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.138 24.432 14.435 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.806 23.429 13.895 1.00 0.00 H new ATOM 0 HG LEU A 33 4.111 23.348 16.658 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.884 24.132 17.417 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.610 25.283 16.269 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.324 24.177 15.728 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.345 21.690 17.199 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.787 21.735 15.510 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.402 21.095 15.897 1.00 0.00 H new ATOM 521 N VAL A 34 5.961 23.573 12.484 1.00 0.00 N ATOM 522 CA VAL A 34 6.428 23.871 11.134 1.00 0.00 C ATOM 523 C VAL A 34 7.425 22.824 10.656 1.00 0.00 C ATOM 524 O VAL A 34 7.424 22.451 9.482 1.00 0.00 O ATOM 525 CB VAL A 34 7.068 25.253 11.088 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.139 25.352 12.171 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.704 25.467 9.712 1.00 0.00 C ATOM 0 H VAL A 34 6.339 24.177 13.214 1.00 0.00 H new ATOM 0 HA VAL A 34 5.564 23.854 10.469 1.00 0.00 H new ATOM 0 HB VAL A 34 6.310 26.017 11.261 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.598 26.340 12.140 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.684 25.194 13.149 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.901 24.592 11.999 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.164 26.455 9.673 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.465 24.706 9.540 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.937 25.393 8.941 1.00 0.00 H new ATOM 537 N ALA A 35 8.269 22.345 11.563 1.00 0.00 N ATOM 538 CA ALA A 35 9.250 21.335 11.194 1.00 0.00 C ATOM 539 C ALA A 35 8.525 20.138 10.605 1.00 0.00 C ATOM 540 O ALA A 35 8.936 19.582 9.585 1.00 0.00 O ATOM 541 CB ALA A 35 10.055 20.899 12.419 1.00 0.00 C ATOM 0 H ALA A 35 8.294 22.634 12.541 1.00 0.00 H new ATOM 0 HA ALA A 35 9.939 21.753 10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.784 20.144 12.125 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.574 21.761 12.839 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.381 20.482 13.167 1.00 0.00 H new ATOM 547 N LYS A 36 7.424 19.764 11.246 1.00 0.00 N ATOM 548 CA LYS A 36 6.621 18.649 10.774 1.00 0.00 C ATOM 549 C LYS A 36 6.107 18.934 9.371 1.00 0.00 C ATOM 550 O LYS A 36 6.204 18.090 8.481 1.00 0.00 O ATOM 551 CB LYS A 36 5.435 18.424 11.712 1.00 0.00 C ATOM 552 CG LYS A 36 5.929 17.898 13.063 1.00 0.00 C ATOM 553 CD LYS A 36 4.729 17.682 13.986 1.00 0.00 C ATOM 554 CE LYS A 36 5.212 17.220 15.362 1.00 0.00 C ATOM 555 NZ LYS A 36 4.186 16.326 15.970 1.00 0.00 N1+ ATOM 0 H LYS A 36 7.070 20.216 12.090 1.00 0.00 H new ATOM 0 HA LYS A 36 7.243 17.754 10.756 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.890 19.357 11.853 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.739 17.712 11.268 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.471 16.962 12.927 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.625 18.607 13.511 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.161 18.607 14.081 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.058 16.938 13.557 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.161 16.692 15.269 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.388 18.081 16.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.512 16.010 16.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.290 16.844 16.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.039 15.499 15.357 1.00 0.00 H new ATOM 569 N LEU A 37 5.567 20.132 9.169 1.00 0.00 N ATOM 570 CA LEU A 37 5.057 20.489 7.850 1.00 0.00 C ATOM 571 C LEU A 37 6.169 20.391 6.808 1.00 0.00 C ATOM 572 O LEU A 37 5.980 19.806 5.742 1.00 0.00 O ATOM 573 CB LEU A 37 4.480 21.907 7.851 1.00 0.00 C ATOM 574 CG LEU A 37 3.751 22.152 6.522 1.00 0.00 C ATOM 575 CD1 LEU A 37 2.744 23.293 6.681 1.00 0.00 C ATOM 576 CD2 LEU A 37 4.761 22.516 5.426 1.00 0.00 C ATOM 0 H LEU A 37 5.472 20.856 9.882 1.00 0.00 H new ATOM 0 HA LEU A 37 4.261 19.788 7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.791 22.032 8.687 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.278 22.638 7.983 1.00 0.00 H new ATOM 0 HG LEU A 37 3.225 21.240 6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.231 23.460 5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.014 23.030 7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.268 24.202 6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.234 22.688 4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.297 23.421 5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.471 21.698 5.299 1.00 0.00 H new ATOM 588 N THR A 38 7.336 20.949 7.126 1.00 0.00 N ATOM 589 CA THR A 38 8.466 20.897 6.202 1.00 0.00 C ATOM 590 C THR A 38 9.311 19.657 6.470 1.00 0.00 C ATOM 591 O THR A 38 10.474 19.595 6.078 1.00 0.00 O ATOM 592 CB THR A 38 9.335 22.151 6.343 1.00 0.00 C ATOM 593 OG1 THR A 38 10.521 21.985 5.576 1.00 0.00 O ATOM 594 CG2 THR A 38 9.703 22.361 7.813 1.00 0.00 C ATOM 0 H THR A 38 7.522 21.435 8.003 1.00 0.00 H new ATOM 0 HA THR A 38 8.074 20.851 5.186 1.00 0.00 H new ATOM 0 HB THR A 38 8.783 23.020 5.984 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.065 21.269 5.965 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.321 23.254 7.909 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.794 22.484 8.402 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.257 21.495 8.177 1.00 0.00 H new ATOM 602 N ASN A 39 8.710 18.679 7.144 1.00 0.00 N ATOM 603 CA ASN A 39 9.398 17.433 7.472 1.00 0.00 C ATOM 604 C ASN A 39 10.207 17.582 8.759 1.00 0.00 C ATOM 605 O ASN A 39 9.793 17.106 9.817 1.00 0.00 O ATOM 606 CB ASN A 39 10.318 17.012 6.324 1.00 0.00 C ATOM 607 CG ASN A 39 9.619 17.239 4.988 1.00 0.00 C ATOM 608 OD1 ASN A 39 10.274 17.498 3.978 1.00 0.00 O ATOM 609 ND2 ASN A 39 8.318 17.157 4.920 1.00 0.00 N ATOM 0 H ASN A 39 7.746 18.726 7.474 1.00 0.00 H new ATOM 0 HA ASN A 39 8.644 16.661 7.623 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.245 17.584 6.361 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.588 15.961 6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.843 17.307 4.030 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.776 16.942 5.757 1.00 0.00 H new ATOM 616 N SER A 40 11.358 18.240 8.667 1.00 0.00 N ATOM 617 CA SER A 40 12.201 18.432 9.841 1.00 0.00 C ATOM 618 C SER A 40 13.395 19.329 9.514 1.00 0.00 C ATOM 619 O SER A 40 14.550 18.929 9.651 1.00 0.00 O ATOM 620 CB SER A 40 12.673 17.066 10.357 1.00 0.00 C ATOM 621 OG SER A 40 14.065 16.905 10.114 1.00 0.00 O ATOM 0 H SER A 40 11.724 18.644 7.805 1.00 0.00 H new ATOM 0 HA SER A 40 11.620 18.927 10.619 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.470 16.982 11.425 1.00 0.00 H new ATOM 0 HB3 SER A 40 12.116 16.270 9.863 1.00 0.00 H new ATOM 0 HG SER A 40 14.550 17.680 10.466 1.00 0.00 H new ATOM 627 N ASP A 41 13.110 20.554 9.089 1.00 0.00 N ATOM 628 CA ASP A 41 14.168 21.495 8.760 1.00 0.00 C ATOM 629 C ASP A 41 14.537 22.320 9.986 1.00 0.00 C ATOM 630 O ASP A 41 13.691 22.600 10.835 1.00 0.00 O ATOM 631 CB ASP A 41 13.715 22.427 7.634 1.00 0.00 C ATOM 632 CG ASP A 41 13.391 21.617 6.383 1.00 0.00 C ATOM 633 OD1 ASP A 41 12.374 20.943 6.385 1.00 0.00 O ATOM 634 OD2 ASP A 41 14.166 21.682 5.443 1.00 0.00 O1- ATOM 0 H ASP A 41 12.164 20.915 8.966 1.00 0.00 H new ATOM 0 HA ASP A 41 15.041 20.933 8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.837 22.991 7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.498 23.153 7.414 1.00 0.00 H new ATOM 639 N PRO A 42 15.775 22.714 10.089 1.00 0.00 N ATOM 640 CA PRO A 42 16.260 23.531 11.234 1.00 0.00 C ATOM 641 C PRO A 42 15.586 24.898 11.267 1.00 0.00 C ATOM 642 O PRO A 42 14.632 25.106 12.017 1.00 0.00 O ATOM 643 CB PRO A 42 17.769 23.656 11.006 1.00 0.00 C ATOM 644 CG PRO A 42 18.014 23.282 9.578 1.00 0.00 C ATOM 645 CD PRO A 42 16.839 22.420 9.123 1.00 0.00 C ATOM 0 HA PRO A 42 16.027 23.071 12.195 1.00 0.00 H new ATOM 0 HB2 PRO A 42 18.109 24.672 11.205 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.319 22.999 11.679 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.099 24.174 8.957 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.952 22.735 9.480 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.533 22.669 8.107 1.00 0.00 H new ATOM 0 HD3 PRO A 42 17.098 21.361 9.127 1.00 0.00 H new ATOM 653 N ILE A 43 16.070 25.821 10.446 1.00 0.00 N ATOM 654 CA ILE A 43 15.479 27.153 10.397 1.00 0.00 C ATOM 655 C ILE A 43 14.436 27.232 9.293 1.00 0.00 C ATOM 656 O ILE A 43 13.247 27.125 9.561 1.00 0.00 O ATOM 657 CB ILE A 43 16.547 28.211 10.140 1.00 0.00 C ATOM 658 CG1 ILE A 43 17.637 28.121 11.210 1.00 0.00 C ATOM 659 CG2 ILE A 43 15.899 29.594 10.188 1.00 0.00 C ATOM 660 CD1 ILE A 43 18.706 29.177 10.930 1.00 0.00 C ATOM 0 H ILE A 43 16.858 25.677 9.814 1.00 0.00 H new ATOM 0 HA ILE A 43 15.008 27.341 11.362 1.00 0.00 H new ATOM 0 HB ILE A 43 16.996 28.045 9.161 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.206 28.276 12.199 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.083 27.126 11.209 1.00 0.00 H new ATOM 0 HG21 ILE A 43 16.656 30.357 10.005 1.00 0.00 H new ATOM 0 HG22 ILE A 43 15.125 29.660 9.423 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.453 29.753 11.170 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.485 29.117 11.690 1.00 0.00 H new ATOM 0 HD12 ILE A 43 19.143 29.000 9.947 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.253 30.168 10.953 1.00 0.00 H new ATOM 672 N MET A 44 14.902 27.420 8.056 1.00 0.00 N ATOM 673 CA MET A 44 14.009 27.519 6.899 1.00 0.00 C ATOM 674 C MET A 44 12.595 27.886 7.331 1.00 0.00 C ATOM 675 O MET A 44 12.157 29.023 7.158 1.00 0.00 O ATOM 676 CB MET A 44 13.981 26.191 6.141 1.00 0.00 C ATOM 677 CG MET A 44 13.616 26.449 4.679 1.00 0.00 C ATOM 678 SD MET A 44 12.689 25.037 4.027 1.00 0.00 S ATOM 679 CE MET A 44 11.986 25.881 2.589 1.00 0.00 C ATOM 0 H MET A 44 15.893 27.507 7.830 1.00 0.00 H new ATOM 0 HA MET A 44 14.390 28.304 6.246 1.00 0.00 H new ATOM 0 HB2 MET A 44 14.954 25.703 6.204 1.00 0.00 H new ATOM 0 HB3 MET A 44 13.256 25.516 6.595 1.00 0.00 H new ATOM 0 HG2 MET A 44 13.020 27.358 4.597 1.00 0.00 H new ATOM 0 HG3 MET A 44 14.520 26.607 4.090 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.753 25.149 1.815 1.00 0.00 H new ATOM 0 HE2 MET A 44 11.074 26.402 2.882 1.00 0.00 H new ATOM 0 HE3 MET A 44 12.707 26.601 2.202 1.00 0.00 H new ATOM 689 N ASN A 45 11.890 26.912 7.897 1.00 0.00 N ATOM 690 CA ASN A 45 10.527 27.129 8.359 1.00 0.00 C ATOM 691 C ASN A 45 9.602 27.449 7.197 1.00 0.00 C ATOM 692 O ASN A 45 8.807 28.384 7.267 1.00 0.00 O ATOM 693 CB ASN A 45 10.484 28.257 9.394 1.00 0.00 C ATOM 694 CG ASN A 45 11.183 27.805 10.672 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.160 26.620 11.006 1.00 0.00 O ATOM 696 ND2 ASN A 45 11.813 28.681 11.406 1.00 0.00 N ATOM 0 H ASN A 45 12.241 25.966 8.046 1.00 0.00 H new ATOM 0 HA ASN A 45 10.181 26.208 8.828 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.971 29.148 8.997 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.450 28.528 9.609 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.288 28.385 12.259 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.830 29.662 11.127 1.00 0.00 H new ATOM 703 N GLN A 46 9.717 26.656 6.134 1.00 0.00 N ATOM 704 CA GLN A 46 8.887 26.833 4.947 1.00 0.00 C ATOM 705 C GLN A 46 9.201 28.131 4.216 1.00 0.00 C ATOM 706 O GLN A 46 8.296 28.796 3.726 1.00 0.00 O ATOM 707 CB GLN A 46 7.407 26.838 5.337 1.00 0.00 C ATOM 708 CG GLN A 46 6.994 25.468 5.874 1.00 0.00 C ATOM 709 CD GLN A 46 5.491 25.463 6.126 1.00 0.00 C ATOM 710 OE1 GLN A 46 4.707 25.262 5.199 1.00 0.00 O ATOM 711 NE2 GLN A 46 5.039 25.681 7.328 1.00 0.00 N ATOM 0 H GLN A 46 10.379 25.883 6.072 1.00 0.00 H new ATOM 0 HA GLN A 46 9.105 25.999 4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.226 27.602 6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.797 27.096 4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.258 24.689 5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.531 25.249 6.797 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.690 25.847 8.095 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.034 25.685 7.502 1.00 0.00 H new ATOM 720 N LEU A 47 10.470 28.499 4.125 1.00 0.00 N ATOM 721 CA LEU A 47 10.820 29.733 3.435 1.00 0.00 C ATOM 722 C LEU A 47 9.937 29.943 2.203 1.00 0.00 C ATOM 723 O LEU A 47 9.305 30.990 2.057 1.00 0.00 O ATOM 724 CB LEU A 47 12.291 29.697 3.008 1.00 0.00 C ATOM 725 CG LEU A 47 13.166 30.250 4.136 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.609 29.779 3.946 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.126 31.779 4.111 1.00 0.00 C ATOM 0 H LEU A 47 11.257 27.977 4.509 1.00 0.00 H new ATOM 0 HA LEU A 47 10.659 30.562 4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.587 28.675 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.432 30.287 2.102 1.00 0.00 H new ATOM 0 HG LEU A 47 12.789 29.890 5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.230 30.174 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.642 28.690 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.985 30.137 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.749 32.172 4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.501 32.137 3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.099 32.118 4.249 1.00 0.00 H new ATOM 739 N ASP A 48 9.922 28.962 1.309 1.00 0.00 N ATOM 740 CA ASP A 48 9.145 29.067 0.072 1.00 0.00 C ATOM 741 C ASP A 48 7.641 29.244 0.334 1.00 0.00 C ATOM 742 O ASP A 48 7.037 30.225 -0.117 1.00 0.00 O ATOM 743 CB ASP A 48 9.364 27.810 -0.771 1.00 0.00 C ATOM 744 CG ASP A 48 10.822 27.728 -1.214 1.00 0.00 C ATOM 745 OD1 ASP A 48 11.564 28.648 -0.910 1.00 0.00 O1- ATOM 746 OD2 ASP A 48 11.177 26.742 -1.836 1.00 0.00 O ATOM 0 H ASP A 48 10.435 28.087 1.413 1.00 0.00 H new ATOM 0 HA ASP A 48 9.493 29.955 -0.457 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.100 26.924 -0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.711 27.828 -1.643 1.00 0.00 H new ATOM 751 N LEU A 49 7.039 28.302 1.057 1.00 0.00 N ATOM 752 CA LEU A 49 5.609 28.396 1.347 1.00 0.00 C ATOM 753 C LEU A 49 5.330 29.575 2.270 1.00 0.00 C ATOM 754 O LEU A 49 4.339 30.286 2.105 1.00 0.00 O ATOM 755 CB LEU A 49 5.101 27.093 1.968 1.00 0.00 C ATOM 756 CG LEU A 49 4.879 26.061 0.865 1.00 0.00 C ATOM 757 CD1 LEU A 49 6.216 25.738 0.195 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.294 24.786 1.474 1.00 0.00 C ATOM 0 H LEU A 49 7.506 27.482 1.445 1.00 0.00 H new ATOM 0 HA LEU A 49 5.076 28.559 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.822 26.717 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.171 27.272 2.507 1.00 0.00 H new ATOM 0 HG LEU A 49 4.188 26.462 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.060 25.001 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.636 26.647 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.907 25.336 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.135 24.047 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.987 24.385 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.343 25.016 1.955 1.00 0.00 H new ATOM 770 N LEU A 50 6.203 29.766 3.250 1.00 0.00 N ATOM 771 CA LEU A 50 6.036 30.856 4.202 1.00 0.00 C ATOM 772 C LEU A 50 6.000 32.188 3.457 1.00 0.00 C ATOM 773 O LEU A 50 5.182 33.053 3.764 1.00 0.00 O ATOM 774 CB LEU A 50 7.199 30.854 5.204 1.00 0.00 C ATOM 775 CG LEU A 50 6.790 31.551 6.507 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.019 31.696 7.407 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.222 32.937 6.210 1.00 0.00 C ATOM 0 H LEU A 50 7.027 29.186 3.406 1.00 0.00 H new ATOM 0 HA LEU A 50 5.099 30.720 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.504 29.829 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.061 31.360 4.770 1.00 0.00 H new ATOM 0 HG LEU A 50 6.027 30.952 7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.734 32.191 8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.424 30.709 7.632 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.776 32.291 6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.936 33.421 7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.978 33.540 5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.347 32.841 5.568 1.00 0.00 H new ATOM 789 N HIS A 51 6.891 32.352 2.481 1.00 0.00 N ATOM 790 CA HIS A 51 6.943 33.587 1.710 1.00 0.00 C ATOM 791 C HIS A 51 5.615 33.868 1.027 1.00 0.00 C ATOM 792 O HIS A 51 5.086 34.973 1.134 1.00 0.00 O ATOM 793 CB HIS A 51 8.043 33.499 0.652 1.00 0.00 C ATOM 794 CG HIS A 51 9.381 33.633 1.317 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.551 33.817 0.596 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.749 33.619 2.636 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.558 33.909 1.481 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.125 33.793 2.738 1.00 0.00 N ATOM 0 H HIS A 51 7.580 31.651 2.209 1.00 0.00 H new ATOM 0 HA HIS A 51 7.158 34.401 2.402 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.980 32.548 0.124 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.913 34.286 -0.091 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.632 33.872 -0.419 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.074 33.492 3.469 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.592 34.059 1.208 1.00 0.00 H new ATOM 807 N LYS A 52 5.069 32.874 0.329 1.00 0.00 N ATOM 808 CA LYS A 52 3.793 33.079 -0.350 1.00 0.00 C ATOM 809 C LYS A 52 2.719 33.410 0.678 1.00 0.00 C ATOM 810 O LYS A 52 1.961 34.366 0.517 1.00 0.00 O ATOM 811 CB LYS A 52 3.389 31.822 -1.123 1.00 0.00 C ATOM 812 CG LYS A 52 4.526 31.395 -2.055 1.00 0.00 C ATOM 813 CD LYS A 52 4.797 32.487 -3.091 1.00 0.00 C ATOM 814 CE LYS A 52 5.713 31.927 -4.181 1.00 0.00 C ATOM 815 NZ LYS A 52 6.486 30.777 -3.630 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.476 31.945 0.220 1.00 0.00 H new ATOM 0 HA LYS A 52 3.898 33.905 -1.054 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.155 31.016 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.486 32.015 -1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.428 31.202 -1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.264 30.464 -2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.860 32.832 -3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.263 33.350 -2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.123 31.606 -5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.393 32.702 -4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.279 30.556 -4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.854 31.025 -2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.864 29.947 -3.550 1.00 0.00 H new ATOM 829 N TRP A 53 2.674 32.613 1.739 1.00 0.00 N ATOM 830 CA TRP A 53 1.707 32.819 2.808 1.00 0.00 C ATOM 831 C TRP A 53 1.836 34.238 3.360 1.00 0.00 C ATOM 832 O TRP A 53 0.872 34.999 3.393 1.00 0.00 O ATOM 833 CB TRP A 53 1.995 31.794 3.913 1.00 0.00 C ATOM 834 CG TRP A 53 0.883 31.749 4.909 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.197 30.939 4.829 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.740 32.505 6.142 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.995 31.149 5.937 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.463 32.105 6.775 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.526 33.486 6.771 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.868 32.658 7.986 1.00 0.00 C ATOM 841 CZ3 TRP A 53 1.120 34.045 7.993 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.078 33.630 8.598 1.00 0.00 C ATOM 0 H TRP A 53 3.297 31.818 1.881 1.00 0.00 H new ATOM 0 HA TRP A 53 0.692 32.690 2.432 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.131 30.807 3.471 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.928 32.050 4.416 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.402 30.242 4.030 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.871 30.657 6.113 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.448 33.812 6.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.789 32.336 8.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.731 34.797 8.470 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.387 34.064 9.537 1.00 0.00 H new ATOM 853 N LEU A 54 3.040 34.570 3.802 1.00 0.00 N ATOM 854 CA LEU A 54 3.309 35.888 4.371 1.00 0.00 C ATOM 855 C LEU A 54 2.934 37.005 3.397 1.00 0.00 C ATOM 856 O LEU A 54 2.235 37.950 3.763 1.00 0.00 O ATOM 857 CB LEU A 54 4.795 36.006 4.707 1.00 0.00 C ATOM 858 CG LEU A 54 5.068 37.336 5.400 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.526 37.290 6.827 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.573 37.580 5.446 1.00 0.00 C ATOM 0 H LEU A 54 3.848 33.947 3.779 1.00 0.00 H new ATOM 0 HA LEU A 54 2.703 35.993 5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.097 35.181 5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.389 35.932 3.796 1.00 0.00 H new ATOM 0 HG LEU A 54 4.579 38.139 4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.722 38.241 7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.452 37.108 6.802 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.017 36.487 7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.773 38.530 5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.055 36.774 5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.968 37.610 4.431 1.00 0.00 H new ATOM 872 N ASP A 55 3.423 36.899 2.165 1.00 0.00 N ATOM 873 CA ASP A 55 3.160 37.909 1.144 1.00 0.00 C ATOM 874 C ASP A 55 1.663 38.096 0.892 1.00 0.00 C ATOM 875 O ASP A 55 1.180 39.221 0.766 1.00 0.00 O ATOM 876 CB ASP A 55 3.853 37.507 -0.156 1.00 0.00 C ATOM 877 CG ASP A 55 5.364 37.513 0.046 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.816 38.168 0.972 1.00 0.00 O1- ATOM 879 OD2 ASP A 55 6.048 36.863 -0.727 1.00 0.00 O ATOM 0 H ASP A 55 4.004 36.123 1.849 1.00 0.00 H new ATOM 0 HA ASP A 55 3.553 38.859 1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.521 36.516 -0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.580 38.198 -0.954 1.00 0.00 H new ATOM 884 N ARG A 56 0.940 36.984 0.813 1.00 0.00 N ATOM 885 CA ARG A 56 -0.502 37.016 0.567 1.00 0.00 C ATOM 886 C ARG A 56 -1.226 37.734 1.701 1.00 0.00 C ATOM 887 O ARG A 56 -2.247 38.389 1.493 1.00 0.00 O ATOM 888 CB ARG A 56 -1.014 35.577 0.469 1.00 0.00 C ATOM 889 CG ARG A 56 -2.295 35.509 -0.370 1.00 0.00 C ATOM 890 CD ARG A 56 -3.390 36.377 0.253 1.00 0.00 C ATOM 891 NE ARG A 56 -4.706 35.855 -0.104 1.00 0.00 N ATOM 892 CZ ARG A 56 -5.799 36.225 0.559 1.00 0.00 C ATOM 893 NH1 ARG A 56 -5.705 37.070 1.550 1.00 0.00 N ATOM 894 NH2 ARG A 56 -6.963 35.743 0.221 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.328 36.046 0.916 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.695 37.554 -0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.248 34.944 0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.208 35.187 1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.090 35.846 -1.386 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.637 34.476 -0.440 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.279 36.394 1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.291 37.406 -0.094 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.789 35.194 -0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.795 37.446 1.815 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.542 37.354 2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.036 35.082 -0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.800 36.027 0.730 1.00 0.00 H new ATOM 908 N HIS A 57 -0.688 37.598 2.903 1.00 0.00 N ATOM 909 CA HIS A 57 -1.283 38.218 4.077 1.00 0.00 C ATOM 910 C HIS A 57 -0.401 39.347 4.605 1.00 0.00 C ATOM 911 O HIS A 57 -0.551 39.780 5.747 1.00 0.00 O ATOM 912 CB HIS A 57 -1.486 37.158 5.160 1.00 0.00 C ATOM 913 CG HIS A 57 -2.239 35.983 4.585 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.569 36.070 4.196 1.00 0.00 N ATOM 915 CD2 HIS A 57 -1.859 34.686 4.333 1.00 0.00 C ATOM 916 CE1 HIS A 57 -3.936 34.856 3.736 1.00 0.00 C ATOM 917 NE2 HIS A 57 -2.931 33.978 3.797 1.00 0.00 N ATOM 0 H HIS A 57 0.160 37.064 3.091 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.246 38.646 3.798 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.521 36.830 5.547 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.039 37.582 5.998 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.877 34.278 4.522 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.922 34.622 3.364 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.946 32.999 3.512 1.00 0.00 H new ATOM 926 N ARG A 58 0.511 39.830 3.762 1.00 0.00 N ATOM 927 CA ARG A 58 1.399 40.919 4.151 1.00 0.00 C ATOM 928 C ARG A 58 0.595 42.086 4.700 1.00 0.00 C ATOM 929 O ARG A 58 1.052 42.812 5.582 1.00 0.00 O ATOM 930 CB ARG A 58 2.221 41.381 2.952 1.00 0.00 C ATOM 931 CG ARG A 58 1.292 41.953 1.881 1.00 0.00 C ATOM 932 CD ARG A 58 2.082 42.152 0.590 1.00 0.00 C ATOM 933 NE ARG A 58 3.116 43.166 0.781 1.00 0.00 N ATOM 934 CZ ARG A 58 3.397 44.053 -0.172 1.00 0.00 C ATOM 935 NH1 ARG A 58 2.786 43.994 -1.324 1.00 0.00 N ATOM 936 NH2 ARG A 58 4.290 44.981 0.046 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.652 39.486 2.812 1.00 0.00 H new ATOM 0 HA ARG A 58 2.072 40.555 4.928 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.942 42.137 3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.790 40.545 2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.455 41.277 1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.872 42.902 2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.538 41.210 0.286 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.410 42.455 -0.213 1.00 0.00 H new ATOM 0 HE ARG A 58 3.632 43.195 1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.091 43.267 -1.496 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.003 44.675 -2.052 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.771 45.025 0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.507 45.661 -0.682 1.00 0.00 H new ATOM 950 N ASP A 59 -0.605 42.253 4.164 1.00 0.00 N ATOM 951 CA ASP A 59 -1.483 43.331 4.591 1.00 0.00 C ATOM 952 C ASP A 59 -1.685 43.280 6.103 1.00 0.00 C ATOM 953 O ASP A 59 -1.951 44.301 6.746 1.00 0.00 O ATOM 954 CB ASP A 59 -2.831 43.201 3.879 1.00 0.00 C ATOM 955 CG ASP A 59 -3.484 41.870 4.237 1.00 0.00 C ATOM 956 OD1 ASP A 59 -3.115 41.303 5.252 1.00 0.00 O ATOM 957 OD2 ASP A 59 -4.339 41.431 3.485 1.00 0.00 O1- ATOM 0 H ASP A 59 -0.992 41.656 3.433 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.027 44.287 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.484 44.025 4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.690 43.268 2.800 1.00 0.00 H new ATOM 962 N MET A 60 -1.548 42.091 6.674 1.00 0.00 N ATOM 963 CA MET A 60 -1.710 41.934 8.110 1.00 0.00 C ATOM 964 C MET A 60 -0.792 42.893 8.852 1.00 0.00 C ATOM 965 O MET A 60 -1.161 43.446 9.885 1.00 0.00 O ATOM 966 CB MET A 60 -1.382 40.488 8.519 1.00 0.00 C ATOM 967 CG MET A 60 0.142 40.274 8.583 1.00 0.00 C ATOM 968 SD MET A 60 0.497 38.664 9.330 1.00 0.00 S ATOM 969 CE MET A 60 0.440 37.676 7.819 1.00 0.00 C ATOM 0 H MET A 60 -1.328 41.232 6.171 1.00 0.00 H new ATOM 0 HA MET A 60 -2.744 42.159 8.371 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.826 40.270 9.490 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.822 39.793 7.804 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.569 40.324 7.581 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.607 41.068 9.167 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.125 36.833 7.910 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.573 37.306 7.664 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.734 38.293 6.970 1.00 0.00 H new ATOM 979 N CYS A 61 0.405 43.083 8.309 1.00 0.00 N ATOM 980 CA CYS A 61 1.387 43.969 8.921 1.00 0.00 C ATOM 981 C CYS A 61 0.908 45.414 8.873 1.00 0.00 C ATOM 982 O CYS A 61 1.248 46.223 9.740 1.00 0.00 O ATOM 983 CB CYS A 61 2.728 43.833 8.200 1.00 0.00 C ATOM 984 SG CYS A 61 2.649 44.681 6.603 1.00 0.00 S ATOM 0 H CYS A 61 0.718 42.636 7.447 1.00 0.00 H new ATOM 0 HA CYS A 61 1.513 43.684 9.966 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.525 44.259 8.810 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.968 42.780 8.052 1.00 0.00 H new ATOM 0 HG CYS A 61 1.932 43.981 5.775 1.00 0.00 H new ATOM 990 N GLU A 62 0.111 45.729 7.862 1.00 0.00 N ATOM 991 CA GLU A 62 -0.423 47.076 7.713 1.00 0.00 C ATOM 992 C GLU A 62 -1.506 47.324 8.755 1.00 0.00 C ATOM 993 O GLU A 62 -1.801 48.468 9.103 1.00 0.00 O ATOM 994 CB GLU A 62 -1.023 47.248 6.314 1.00 0.00 C ATOM 995 CG GLU A 62 0.064 47.059 5.251 1.00 0.00 C ATOM 996 CD GLU A 62 1.100 48.175 5.353 1.00 0.00 C ATOM 997 OE1 GLU A 62 0.805 49.174 5.987 1.00 0.00 O ATOM 998 OE2 GLU A 62 2.172 48.013 4.793 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.179 45.074 7.136 1.00 0.00 H new ATOM 0 HA GLU A 62 0.387 47.791 7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.823 46.524 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.468 48.239 6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.547 46.091 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.385 47.059 4.258 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.115 46.239 9.227 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.194 46.343 10.209 1.00 0.00 C ATOM 1007 C LYS A 63 -2.679 46.551 11.639 1.00 0.00 C ATOM 1008 O LYS A 63 -3.097 47.493 12.311 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.055 45.082 10.169 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.715 44.954 8.795 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.620 43.722 8.788 1.00 0.00 C ATOM 1012 CE LYS A 63 -5.912 43.289 7.349 1.00 0.00 C ATOM 1013 NZ LYS A 63 -5.751 41.812 7.245 1.00 0.00 N1+ ATOM 0 H LYS A 63 -1.883 45.285 8.949 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.782 47.220 9.939 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.442 44.204 10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.817 45.125 10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.296 45.849 8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.954 44.866 8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.141 42.907 9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.553 43.944 9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.924 43.578 7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.233 43.791 6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.948 41.509 6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.777 41.550 7.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.416 41.344 7.894 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.780 45.681 12.114 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.267 45.843 13.479 1.00 0.00 C ATOM 1029 C TRP A 64 0.057 46.608 13.502 1.00 0.00 C ATOM 1030 O TRP A 64 0.397 47.233 14.506 1.00 0.00 O ATOM 1031 CB TRP A 64 -1.076 44.489 14.188 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.324 43.347 13.262 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.572 43.044 12.182 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.363 42.327 13.335 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -1.090 41.912 11.575 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -2.197 41.432 12.250 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.423 42.099 14.225 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -3.060 40.349 12.059 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -4.292 41.011 14.037 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -4.110 40.139 12.956 1.00 0.00 C ATOM 0 H TRP A 64 -1.404 44.886 11.597 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.021 46.419 14.015 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.062 44.424 14.584 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.755 44.423 15.038 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.294 43.595 11.846 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.703 41.485 10.734 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.572 42.765 15.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.916 39.679 11.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.104 40.846 14.729 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.781 39.305 12.816 1.00 0.00 H new ATOM 1051 N LYS A 65 0.809 46.554 12.407 1.00 0.00 N ATOM 1052 CA LYS A 65 2.098 47.245 12.351 1.00 0.00 C ATOM 1053 C LYS A 65 2.991 46.788 13.511 1.00 0.00 C ATOM 1054 O LYS A 65 4.137 47.211 13.636 1.00 0.00 O ATOM 1055 CB LYS A 65 1.873 48.765 12.438 1.00 0.00 C ATOM 1056 CG LYS A 65 3.184 49.515 12.162 1.00 0.00 C ATOM 1057 CD LYS A 65 2.978 51.010 12.407 1.00 0.00 C ATOM 1058 CE LYS A 65 4.273 51.765 12.100 1.00 0.00 C ATOM 1059 NZ LYS A 65 4.143 52.469 10.793 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.556 46.048 11.558 1.00 0.00 H new ATOM 0 HA LYS A 65 2.590 47.004 11.409 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.114 49.069 11.717 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.497 49.028 13.427 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.975 49.135 12.808 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.503 49.345 11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.170 51.384 11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.682 51.182 13.442 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.484 52.483 12.892 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.112 51.070 12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.024 52.982 10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.962 51.774 10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.353 53.143 10.839 1.00 0.00 H new ATOM 1073 N SER A 66 2.449 45.922 14.363 1.00 0.00 N ATOM 1074 CA SER A 66 3.190 45.421 15.520 1.00 0.00 C ATOM 1075 C SER A 66 4.117 44.269 15.147 1.00 0.00 C ATOM 1076 O SER A 66 4.013 43.693 14.065 1.00 0.00 O ATOM 1077 CB SER A 66 2.204 44.945 16.579 1.00 0.00 C ATOM 1078 OG SER A 66 1.440 43.871 16.048 1.00 0.00 O ATOM 0 H SER A 66 1.502 45.553 14.276 1.00 0.00 H new ATOM 0 HA SER A 66 3.804 46.236 15.903 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.738 44.622 17.473 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.548 45.763 16.878 1.00 0.00 H new ATOM 0 HG SER A 66 0.546 43.876 16.449 1.00 0.00 H new ATOM 1084 N LYS A 67 5.031 43.944 16.062 1.00 0.00 N ATOM 1085 CA LYS A 67 5.982 42.859 15.837 1.00 0.00 C ATOM 1086 C LYS A 67 5.615 41.607 16.632 1.00 0.00 C ATOM 1087 O LYS A 67 5.190 40.599 16.066 1.00 0.00 O ATOM 1088 CB LYS A 67 7.388 43.297 16.239 1.00 0.00 C ATOM 1089 CG LYS A 67 8.352 42.139 15.990 1.00 0.00 C ATOM 1090 CD LYS A 67 9.770 42.543 16.393 1.00 0.00 C ATOM 1091 CE LYS A 67 10.727 41.384 16.102 1.00 0.00 C ATOM 1092 NZ LYS A 67 11.429 41.635 14.812 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.132 44.415 16.961 1.00 0.00 H new ATOM 0 HA LYS A 67 5.948 42.620 14.774 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.691 44.171 15.662 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.408 43.586 17.290 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.038 41.265 16.560 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.331 41.857 14.937 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.078 43.432 15.842 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.801 42.798 17.452 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.452 41.285 16.910 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.175 40.446 16.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.238 40.987 14.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.772 41.475 14.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.768 42.618 14.787 1.00 0.00 H new ATOM 1106 N GLU A 68 5.814 41.673 17.947 1.00 0.00 N ATOM 1107 CA GLU A 68 5.536 40.534 18.819 1.00 0.00 C ATOM 1108 C GLU A 68 4.059 40.144 18.779 1.00 0.00 C ATOM 1109 O GLU A 68 3.717 38.957 18.805 1.00 0.00 O ATOM 1110 CB GLU A 68 5.941 40.882 20.256 1.00 0.00 C ATOM 1111 CG GLU A 68 7.456 41.101 20.319 1.00 0.00 C ATOM 1112 CD GLU A 68 7.885 41.415 21.749 1.00 0.00 C ATOM 1113 OE1 GLU A 68 7.015 41.632 22.575 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 9.080 41.439 21.996 1.00 0.00 O ATOM 0 H GLU A 68 6.165 42.500 18.430 1.00 0.00 H new ATOM 0 HA GLU A 68 6.116 39.683 18.463 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.419 41.780 20.585 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.650 40.078 20.932 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.974 40.210 19.964 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.740 41.920 19.658 1.00 0.00 H new ATOM 1121 N ASP A 69 3.183 41.136 18.707 1.00 0.00 N ATOM 1122 CA ASP A 69 1.751 40.855 18.659 1.00 0.00 C ATOM 1123 C ASP A 69 1.401 40.049 17.414 1.00 0.00 C ATOM 1124 O ASP A 69 0.630 39.087 17.476 1.00 0.00 O ATOM 1125 CB ASP A 69 0.955 42.163 18.671 1.00 0.00 C ATOM 1126 CG ASP A 69 1.038 42.818 20.044 1.00 0.00 C ATOM 1127 OD1 ASP A 69 1.376 42.127 20.989 1.00 0.00 O ATOM 1128 OD2 ASP A 69 0.764 44.006 20.129 1.00 0.00 O1- ATOM 0 H ASP A 69 3.429 42.125 18.681 1.00 0.00 H new ATOM 0 HA ASP A 69 1.489 40.268 19.539 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.345 42.841 17.912 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.086 41.966 18.417 1.00 0.00 H new ATOM 1133 N ILE A 70 1.973 40.439 16.284 1.00 0.00 N ATOM 1134 CA ILE A 70 1.704 39.737 15.041 1.00 0.00 C ATOM 1135 C ILE A 70 2.134 38.278 15.153 1.00 0.00 C ATOM 1136 O ILE A 70 1.413 37.381 14.727 1.00 0.00 O ATOM 1137 CB ILE A 70 2.435 40.404 13.873 1.00 0.00 C ATOM 1138 CG1 ILE A 70 1.959 41.856 13.755 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.117 39.646 12.580 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.542 42.500 12.493 1.00 0.00 C ATOM 0 H ILE A 70 2.617 41.226 16.203 1.00 0.00 H new ATOM 0 HA ILE A 70 0.631 39.780 14.852 1.00 0.00 H new ATOM 0 HB ILE A 70 3.511 40.386 14.044 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.870 41.888 13.719 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.266 42.420 14.636 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.635 40.117 11.745 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.447 38.611 12.674 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.042 39.669 12.400 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.198 43.531 12.419 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.631 42.484 12.546 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.213 41.944 11.615 1.00 0.00 H new ATOM 1152 N LEU A 71 3.307 38.044 15.739 1.00 0.00 N ATOM 1153 CA LEU A 71 3.808 36.684 15.899 1.00 0.00 C ATOM 1154 C LEU A 71 2.795 35.818 16.635 1.00 0.00 C ATOM 1155 O LEU A 71 2.579 34.662 16.276 1.00 0.00 O ATOM 1156 CB LEU A 71 5.117 36.695 16.687 1.00 0.00 C ATOM 1157 CG LEU A 71 6.195 37.450 15.906 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.467 37.541 16.750 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.513 36.699 14.614 1.00 0.00 C ATOM 0 H LEU A 71 3.921 38.771 16.107 1.00 0.00 H new ATOM 0 HA LEU A 71 3.978 36.269 14.905 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.962 37.167 17.657 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.444 35.673 16.878 1.00 0.00 H new ATOM 0 HG LEU A 71 5.832 38.451 15.672 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.235 38.079 16.194 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.251 38.072 17.677 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.823 36.537 16.981 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.281 37.238 14.059 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.874 35.699 14.854 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.612 36.623 14.006 1.00 0.00 H new ATOM 1171 N HIS A 72 2.170 36.385 17.658 1.00 0.00 N ATOM 1172 CA HIS A 72 1.175 35.643 18.421 1.00 0.00 C ATOM 1173 C HIS A 72 0.041 35.207 17.502 1.00 0.00 C ATOM 1174 O HIS A 72 -0.437 34.069 17.564 1.00 0.00 O ATOM 1175 CB HIS A 72 0.614 36.521 19.540 1.00 0.00 C ATOM 1176 CG HIS A 72 1.616 36.617 20.652 1.00 0.00 C ATOM 1177 ND1 HIS A 72 2.842 37.244 20.495 1.00 0.00 N ATOM 1178 CD2 HIS A 72 1.587 36.162 21.944 1.00 0.00 C ATOM 1179 CE1 HIS A 72 3.497 37.151 21.666 1.00 0.00 C ATOM 1180 NE2 HIS A 72 2.777 36.500 22.585 1.00 0.00 N ATOM 0 H HIS A 72 2.330 37.341 17.975 1.00 0.00 H new ATOM 0 HA HIS A 72 1.648 34.763 18.857 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.385 37.515 19.156 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.320 36.100 19.913 1.00 0.00 H new ATOM 0 HD1 HIS A 72 3.185 37.694 19.646 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.767 35.624 22.396 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.484 37.553 21.842 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.376 36.125 16.643 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.450 35.833 15.706 1.00 0.00 C ATOM 1191 C LYS A 73 -1.057 34.687 14.780 1.00 0.00 C ATOM 1192 O LYS A 73 -1.797 33.719 14.641 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.770 37.077 14.882 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.050 38.260 15.817 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.315 38.000 16.642 1.00 0.00 C ATOM 1196 CE LYS A 73 -4.493 37.703 15.704 1.00 0.00 C ATOM 1197 NZ LYS A 73 -4.623 36.231 15.511 1.00 0.00 N1+ ATOM 0 H LYS A 73 0.008 37.068 16.575 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.333 35.536 16.271 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.935 37.312 14.222 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.636 36.891 14.246 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.200 38.416 16.482 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.170 39.173 15.233 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.154 37.159 17.317 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.541 38.868 17.262 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.415 38.107 16.123 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.338 38.193 14.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.624 35.986 15.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.078 35.941 14.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.258 35.737 16.350 1.00 0.00 H new ATOM 1211 N LEU A 74 0.111 34.794 14.153 1.00 0.00 N ATOM 1212 CA LEU A 74 0.562 33.739 13.248 1.00 0.00 C ATOM 1213 C LEU A 74 0.592 32.392 13.953 1.00 0.00 C ATOM 1214 O LEU A 74 0.243 31.378 13.358 1.00 0.00 O ATOM 1215 CB LEU A 74 1.953 34.052 12.686 1.00 0.00 C ATOM 1216 CG LEU A 74 1.829 35.003 11.497 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.961 36.200 11.875 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.217 35.491 11.083 1.00 0.00 C ATOM 0 H LEU A 74 0.751 35.582 14.250 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.150 33.693 12.424 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.575 34.502 13.460 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.446 33.130 12.376 1.00 0.00 H new ATOM 0 HG LEU A 74 1.366 34.473 10.665 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.878 36.873 11.022 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.032 35.853 12.162 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.416 36.730 12.712 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.126 36.169 10.235 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.683 36.015 11.918 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.834 34.638 10.801 1.00 0.00 H new ATOM 1230 N ASN A 75 1.006 32.380 15.215 1.00 0.00 N ATOM 1231 CA ASN A 75 1.061 31.130 15.961 1.00 0.00 C ATOM 1232 C ASN A 75 -0.302 30.444 15.927 1.00 0.00 C ATOM 1233 O ASN A 75 -0.397 29.246 15.663 1.00 0.00 O ATOM 1234 CB ASN A 75 1.465 31.405 17.410 1.00 0.00 C ATOM 1235 CG ASN A 75 2.867 32.001 17.453 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.677 31.747 16.562 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.203 32.788 18.439 1.00 0.00 N ATOM 0 H ASN A 75 1.303 33.206 15.735 1.00 0.00 H new ATOM 0 HA ASN A 75 1.802 30.476 15.502 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.754 32.091 17.871 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.435 30.481 17.987 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.138 33.194 18.472 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.530 32.997 19.176 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.353 31.217 16.178 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.711 30.671 16.161 1.00 0.00 C ATOM 1246 C GLU A 76 -3.127 30.263 14.750 1.00 0.00 C ATOM 1247 O GLU A 76 -3.764 29.229 14.555 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.696 31.708 16.698 1.00 0.00 C ATOM 1249 CG GLU A 76 -5.109 31.121 16.696 1.00 0.00 C ATOM 1250 CD GLU A 76 -6.116 32.189 17.110 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.685 33.236 17.567 1.00 0.00 O ATOM 1252 OE2 GLU A 76 -7.302 31.951 16.955 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.296 32.212 16.394 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.723 29.785 16.795 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.415 32.002 17.709 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.664 32.608 16.083 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.354 30.743 15.703 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.161 30.275 17.381 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.762 31.076 13.765 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.111 30.774 12.382 1.00 0.00 C ATOM 1261 C GLN A 77 -2.312 29.575 11.890 1.00 0.00 C ATOM 1262 O GLN A 77 -2.837 28.702 11.197 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.816 31.976 11.488 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.531 33.217 12.026 1.00 0.00 C ATOM 1265 CD GLN A 77 -5.029 32.967 12.140 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -5.620 32.318 11.277 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -5.683 33.453 13.161 1.00 0.00 N ATOM 0 H GLN A 77 -2.232 31.938 13.895 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.176 30.544 12.338 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.741 32.154 11.448 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.144 31.771 10.469 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.126 33.482 13.003 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.348 34.064 11.365 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.189 33.990 13.874 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.687 33.295 13.245 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.039 29.537 12.266 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.160 28.443 11.876 1.00 0.00 C ATOM 1278 C TRP A 78 -0.763 27.115 12.319 1.00 0.00 C ATOM 1279 O TRP A 78 -0.757 26.137 11.572 1.00 0.00 O ATOM 1280 CB TRP A 78 1.205 28.637 12.540 1.00 0.00 C ATOM 1281 CG TRP A 78 2.277 27.994 11.726 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.407 26.665 11.507 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.385 28.637 11.034 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.527 26.453 10.720 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.162 27.639 10.403 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.785 29.979 10.893 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.298 27.960 9.660 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.927 30.306 10.146 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.683 29.298 9.531 1.00 0.00 C ATOM 0 H TRP A 78 -0.593 30.252 12.841 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.043 28.436 10.792 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.414 29.701 12.652 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.193 28.207 13.542 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.747 25.897 11.883 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.844 25.534 10.412 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.209 30.762 11.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.877 27.180 9.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.225 31.339 10.044 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.562 29.555 8.958 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.292 27.100 13.541 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.912 25.902 14.086 1.00 0.00 C ATOM 1302 C ASN A 79 -3.240 25.624 13.389 1.00 0.00 C ATOM 1303 O ASN A 79 -3.626 24.472 13.200 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.149 26.072 15.590 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.820 26.111 16.338 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -0.802 26.089 17.569 1.00 0.00 O ATOM 1307 ND2 ASN A 79 0.300 26.169 15.668 1.00 0.00 N ATOM 0 H ASN A 79 -1.302 27.904 14.169 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.241 25.060 13.918 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.705 26.991 15.775 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.759 25.250 15.963 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.191 26.196 16.165 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.284 26.187 14.648 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.940 26.694 13.021 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.231 26.556 12.358 1.00 0.00 C ATOM 1316 C LYS A 80 -5.050 26.356 10.857 1.00 0.00 C ATOM 1317 O LYS A 80 -5.992 25.994 10.152 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.078 27.807 12.595 1.00 0.00 C ATOM 1319 CG LYS A 80 -7.560 27.437 12.491 1.00 0.00 C ATOM 1320 CD LYS A 80 -8.404 28.692 12.232 1.00 0.00 C ATOM 1321 CE LYS A 80 -8.851 29.294 13.563 1.00 0.00 C ATOM 1322 NZ LYS A 80 -9.794 28.359 14.239 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.638 27.657 13.169 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.734 25.684 12.776 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.863 28.226 13.578 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.830 28.574 11.861 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.707 26.719 11.685 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.887 26.954 13.412 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.824 29.422 11.668 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.274 28.439 11.626 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.986 29.478 14.200 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.334 30.257 13.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.475 28.903 14.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.305 27.804 13.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.261 27.717 14.860 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.836 26.594 10.373 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.551 26.438 8.952 1.00 0.00 C ATOM 1338 C ASP A 81 -2.284 25.612 8.750 1.00 0.00 C ATOM 1339 O ASP A 81 -2.316 24.703 7.936 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.376 27.812 8.298 1.00 0.00 C ATOM 1341 CG ASP A 81 -4.616 28.667 8.537 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -5.498 28.211 9.247 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -4.663 29.767 8.013 1.00 0.00 O ATOM 1344 OXT ASP A 81 -1.301 25.900 9.412 1.00 0.00 O ATOM 0 H ASP A 81 -3.041 26.893 10.937 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.390 25.920 8.487 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.497 28.309 8.708 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.206 27.695 7.228 1.00 0.00 H new TER 1349 ASP A 81