USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 761 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 31 LYS NZ :NH3+ -159:sc= 0.513 (180deg=0) USER MOD Set 1.2: A 58 SER OG : rot 180:sc= -0.562 USER MOD Set 2.1: A 25 SER OG : rot 160:sc= 0.0431 USER MOD Set 2.2: A 27 ASN : amide:sc= -3.86! C(o=-4.8!,f=-4.8!) USER MOD Set 2.3: A 29 THR OG1 : rot 180:sc= -0.984 USER MOD Single : A 1 GLY N :NH3+ -98:sc= 0.133 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -108:sc= 1.3 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 167:sc= 0 (180deg=-0.149) USER MOD Single : A 20 MET CE :methyl -107:sc= -2.14 (180deg=-4.31!) USER MOD Single : A 23 THR OG1 : rot 123:sc= 0.0797 USER MOD Single : A 33 THR OG1 : rot 45:sc= 0.624 USER MOD Single : A 37 THR OG1 : rot -88:sc= 0.824 USER MOD Single : A 38 SER OG : rot 75:sc= 0.0474 USER MOD Single : A 41 GLN : amide:sc= 0.542 K(o=0.54,f=-0.24) USER MOD Single : A 43 SER OG : rot -76:sc= 1.24 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.391 X(o=-0.39,f=-0.11) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.26! K(o=-1.3!,f=-0.043) USER MOD Single : A 64 MET CE :methyl 164:sc= 0 (180deg=-0.231) USER MOD Single : A 69 SER OG : rot -130:sc= 1.31 USER MOD Single : A 70 TYR OH : rot -133:sc= 1.21 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 94:sc= 1.21 USER MOD Single : A 81 GLN : amide:sc= -0.803 K(o=-0.8,f=0) USER MOD Single : A 84 CYS SG : rot 24:sc=0.000149 USER MOD Single : A 88 THR OG1 : rot 9:sc= 0.243 USER MOD Single : A 92 GLN : amide:sc= -0.522! C(o=-0.52!,f=-4!) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -165:sc= 1.42 USER MOD Single : A 97 LYS NZ :NH3+ -138:sc= -1.52 (180deg=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.770 2.040 9.262 1.00 0.00 N ATOM 2 CA GLY A 1 10.106 3.182 9.856 1.00 0.00 C ATOM 3 C GLY A 1 10.860 3.652 11.076 1.00 0.00 C ATOM 4 O GLY A 1 11.716 2.919 11.588 1.00 0.00 O ATOM 0 H1 GLY A 1 11.361 2.357 8.467 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.368 1.577 9.975 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.058 1.365 8.917 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.038 3.991 9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.086 2.915 10.131 1.00 0.00 H new ATOM 8 N PRO A 2 10.585 4.868 11.572 1.00 0.00 N ATOM 9 CA PRO A 2 11.274 5.418 12.745 1.00 0.00 C ATOM 10 C PRO A 2 10.713 4.890 14.077 1.00 0.00 C ATOM 11 O PRO A 2 11.275 5.143 15.148 1.00 0.00 O ATOM 12 CB PRO A 2 11.006 6.915 12.613 1.00 0.00 C ATOM 13 CG PRO A 2 9.680 7.001 11.943 1.00 0.00 C ATOM 14 CD PRO A 2 9.594 5.818 11.017 1.00 0.00 C ATOM 0 HA PRO A 2 12.329 5.144 12.766 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.990 7.402 13.588 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.781 7.406 12.024 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.873 6.980 12.675 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.584 7.935 11.390 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.592 5.390 11.005 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.835 6.094 9.990 1.00 0.00 H new ATOM 22 N GLY A 3 9.619 4.173 14.004 1.00 0.00 N ATOM 23 CA GLY A 3 8.978 3.640 15.174 1.00 0.00 C ATOM 24 C GLY A 3 7.486 3.825 15.066 1.00 0.00 C ATOM 25 O GLY A 3 6.719 2.909 15.367 1.00 0.00 O ATOM 0 H GLY A 3 9.149 3.944 13.128 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.216 2.582 15.280 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.353 4.142 16.066 1.00 0.00 H new ATOM 29 N LYS A 4 7.063 5.000 14.615 1.00 0.00 N ATOM 30 CA LYS A 4 5.675 5.239 14.358 1.00 0.00 C ATOM 31 C LYS A 4 5.486 5.458 12.854 1.00 0.00 C ATOM 32 O LYS A 4 6.238 6.240 12.230 1.00 0.00 O ATOM 33 CB LYS A 4 5.116 6.415 15.193 1.00 0.00 C ATOM 34 CG LYS A 4 5.776 7.767 14.964 1.00 0.00 C ATOM 35 CD LYS A 4 5.093 8.836 15.797 1.00 0.00 C ATOM 36 CE LYS A 4 5.698 10.205 15.564 1.00 0.00 C ATOM 37 NZ LYS A 4 5.020 11.241 16.368 1.00 0.00 N ATOM 0 H LYS A 4 7.674 5.794 14.424 1.00 0.00 H new ATOM 0 HA LYS A 4 5.101 4.366 14.669 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.051 6.512 14.981 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.209 6.162 16.249 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.833 7.712 15.226 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.723 8.031 13.908 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.031 8.862 15.554 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.172 8.579 16.853 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.758 10.183 15.817 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.627 10.460 14.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.459 12.166 16.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.013 11.278 16.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.109 11.010 17.378 1.00 0.00 H new ATOM 51 N PRO A 5 4.535 4.752 12.235 1.00 0.00 N ATOM 52 CA PRO A 5 4.300 4.829 10.798 1.00 0.00 C ATOM 53 C PRO A 5 3.566 6.090 10.387 1.00 0.00 C ATOM 54 O PRO A 5 3.032 6.835 11.234 1.00 0.00 O ATOM 55 CB PRO A 5 3.434 3.585 10.498 1.00 0.00 C ATOM 56 CG PRO A 5 3.411 2.805 11.772 1.00 0.00 C ATOM 57 CD PRO A 5 3.603 3.807 12.859 1.00 0.00 C ATOM 0 HA PRO A 5 5.239 4.857 10.245 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.427 3.871 10.193 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.858 2.997 9.684 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.466 2.275 11.890 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.201 2.055 11.787 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.666 4.285 13.144 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.019 3.357 13.761 1.00 0.00 H new ATOM 65 N GLU A 6 3.606 6.349 9.079 1.00 0.00 N ATOM 66 CA GLU A 6 2.932 7.480 8.431 1.00 0.00 C ATOM 67 C GLU A 6 3.518 8.816 8.843 1.00 0.00 C ATOM 68 O GLU A 6 3.014 9.869 8.481 1.00 0.00 O ATOM 69 CB GLU A 6 1.415 7.429 8.633 1.00 0.00 C ATOM 70 CG GLU A 6 0.797 6.153 8.093 1.00 0.00 C ATOM 71 CD GLU A 6 -0.694 6.103 8.221 1.00 0.00 C ATOM 72 OE1 GLU A 6 -1.280 6.921 8.956 1.00 0.00 O ATOM 73 OE2 GLU A 6 -1.315 5.231 7.585 1.00 0.00 O ATOM 0 H GLU A 6 4.121 5.763 8.422 1.00 0.00 H new ATOM 0 HA GLU A 6 3.115 7.382 7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.191 7.515 9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.958 8.287 8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.066 6.046 7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.226 5.301 8.620 1.00 0.00 H new ATOM 80 N SER A 7 4.633 8.758 9.518 1.00 0.00 N ATOM 81 CA SER A 7 5.306 9.917 10.001 1.00 0.00 C ATOM 82 C SER A 7 5.842 10.747 8.846 1.00 0.00 C ATOM 83 O SER A 7 5.799 11.983 8.894 1.00 0.00 O ATOM 84 CB SER A 7 6.387 9.491 10.987 1.00 0.00 C ATOM 85 OG SER A 7 7.001 8.274 10.560 1.00 0.00 O ATOM 0 H SER A 7 5.103 7.883 9.749 1.00 0.00 H new ATOM 0 HA SER A 7 4.609 10.563 10.535 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.140 10.275 11.072 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.952 9.358 11.978 1.00 0.00 H new ATOM 0 HG SER A 7 6.719 7.542 11.147 1.00 0.00 H new ATOM 91 N ILE A 8 6.270 10.068 7.770 1.00 0.00 N ATOM 92 CA ILE A 8 6.752 10.769 6.588 1.00 0.00 C ATOM 93 C ILE A 8 5.689 11.679 5.996 1.00 0.00 C ATOM 94 O ILE A 8 5.917 12.876 5.807 1.00 0.00 O ATOM 95 CB ILE A 8 7.417 9.837 5.505 1.00 0.00 C ATOM 96 CG1 ILE A 8 6.573 8.567 5.165 1.00 0.00 C ATOM 97 CG2 ILE A 8 8.825 9.473 5.920 1.00 0.00 C ATOM 98 CD1 ILE A 8 7.370 7.466 4.435 1.00 0.00 C ATOM 0 H ILE A 8 6.289 9.050 7.701 1.00 0.00 H new ATOM 0 HA ILE A 8 7.565 11.402 6.942 1.00 0.00 H new ATOM 0 HB ILE A 8 7.456 10.412 4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.165 8.156 6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.726 8.861 4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.272 8.829 5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.420 10.380 6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.799 8.947 6.874 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.717 6.617 4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.756 7.859 3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 8 8.202 7.143 5.061 1.00 0.00 H new ATOM 110 N LEU A 9 4.513 11.171 5.792 1.00 0.00 N ATOM 111 CA LEU A 9 3.498 11.999 5.233 1.00 0.00 C ATOM 112 C LEU A 9 2.786 12.902 6.213 1.00 0.00 C ATOM 113 O LEU A 9 2.506 14.033 5.887 1.00 0.00 O ATOM 114 CB LEU A 9 2.571 11.295 4.220 1.00 0.00 C ATOM 115 CG LEU A 9 2.031 9.870 4.487 1.00 0.00 C ATOM 116 CD1 LEU A 9 1.012 9.771 5.615 1.00 0.00 C ATOM 117 CD2 LEU A 9 1.440 9.335 3.221 1.00 0.00 C ATOM 0 H LEU A 9 4.239 10.211 5.999 1.00 0.00 H new ATOM 0 HA LEU A 9 4.069 12.698 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.706 11.942 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.104 11.261 3.270 1.00 0.00 H new ATOM 0 HG LEU A 9 2.883 9.276 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.692 8.735 5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.465 10.113 6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.149 10.394 5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.055 8.330 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.626 9.984 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.207 9.301 2.447 1.00 0.00 H new ATOM 129 N LYS A 10 2.645 12.491 7.449 1.00 0.00 N ATOM 130 CA LYS A 10 1.819 13.250 8.352 1.00 0.00 C ATOM 131 C LYS A 10 2.607 14.346 9.006 1.00 0.00 C ATOM 132 O LYS A 10 2.040 15.338 9.482 1.00 0.00 O ATOM 133 CB LYS A 10 1.116 12.351 9.369 1.00 0.00 C ATOM 134 CG LYS A 10 0.210 11.311 8.714 1.00 0.00 C ATOM 135 CD LYS A 10 -0.529 10.459 9.726 1.00 0.00 C ATOM 136 CE LYS A 10 -1.538 11.276 10.493 1.00 0.00 C ATOM 137 NZ LYS A 10 -2.295 10.461 11.446 1.00 0.00 N ATOM 0 H LYS A 10 3.079 11.657 7.845 1.00 0.00 H new ATOM 0 HA LYS A 10 1.031 13.724 7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.865 11.843 9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.524 12.968 10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.513 11.817 8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.809 10.666 8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.034 9.639 9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.184 10.012 10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.026 12.076 11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.227 11.750 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.977 11.062 11.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.805 9.713 10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.641 10.029 12.130 1.00 0.00 H new ATOM 151 N MET A 11 3.908 14.191 9.037 1.00 0.00 N ATOM 152 CA MET A 11 4.734 15.229 9.556 1.00 0.00 C ATOM 153 C MET A 11 5.335 16.055 8.423 1.00 0.00 C ATOM 154 O MET A 11 5.431 17.278 8.544 1.00 0.00 O ATOM 155 CB MET A 11 5.808 14.696 10.524 1.00 0.00 C ATOM 156 CG MET A 11 6.670 15.787 11.140 1.00 0.00 C ATOM 157 SD MET A 11 7.850 15.151 12.348 1.00 0.00 S ATOM 158 CE MET A 11 8.672 16.672 12.826 1.00 0.00 C ATOM 0 H MET A 11 4.404 13.362 8.711 1.00 0.00 H new ATOM 0 HA MET A 11 4.101 15.889 10.149 1.00 0.00 H new ATOM 0 HB2 MET A 11 5.320 14.137 11.322 1.00 0.00 H new ATOM 0 HB3 MET A 11 6.450 13.995 9.990 1.00 0.00 H new ATOM 0 HG2 MET A 11 7.211 16.305 10.349 1.00 0.00 H new ATOM 0 HG3 MET A 11 6.026 16.523 11.621 1.00 0.00 H new ATOM 0 HE1 MET A 11 9.436 16.454 13.572 1.00 0.00 H new ATOM 0 HE2 MET A 11 9.138 17.124 11.951 1.00 0.00 H new ATOM 0 HE3 MET A 11 7.942 17.364 13.246 1.00 0.00 H new ATOM 168 N THR A 12 5.687 15.425 7.295 1.00 0.00 N ATOM 169 CA THR A 12 6.285 16.193 6.237 1.00 0.00 C ATOM 170 C THR A 12 5.238 16.795 5.259 1.00 0.00 C ATOM 171 O THR A 12 5.266 18.016 5.018 1.00 0.00 O ATOM 172 CB THR A 12 7.366 15.397 5.464 1.00 0.00 C ATOM 173 OG1 THR A 12 8.291 14.785 6.399 1.00 0.00 O ATOM 174 CG2 THR A 12 8.142 16.327 4.546 1.00 0.00 C ATOM 0 H THR A 12 5.569 14.429 7.110 1.00 0.00 H new ATOM 0 HA THR A 12 6.780 17.028 6.733 1.00 0.00 H new ATOM 0 HB THR A 12 6.872 14.626 4.873 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.971 14.282 5.904 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.899 15.758 4.007 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.459 16.788 3.833 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.625 17.104 5.139 1.00 0.00 H new ATOM 182 N LYS A 13 4.284 15.985 4.731 1.00 0.00 N ATOM 183 CA LYS A 13 3.354 16.519 3.719 1.00 0.00 C ATOM 184 C LYS A 13 2.193 15.568 3.405 1.00 0.00 C ATOM 185 O LYS A 13 2.385 14.449 2.874 1.00 0.00 O ATOM 186 CB LYS A 13 4.078 16.954 2.392 1.00 0.00 C ATOM 187 CG LYS A 13 4.583 15.844 1.444 1.00 0.00 C ATOM 188 CD LYS A 13 5.629 14.927 2.057 1.00 0.00 C ATOM 189 CE LYS A 13 6.055 13.872 1.051 1.00 0.00 C ATOM 190 NZ LYS A 13 7.043 12.928 1.604 1.00 0.00 N ATOM 0 H LYS A 13 4.146 15.005 4.978 1.00 0.00 H new ATOM 0 HA LYS A 13 2.931 17.413 4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.392 17.587 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.932 17.574 2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.733 15.242 1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.002 16.308 0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.494 15.510 2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.225 14.448 2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.177 13.319 0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.477 14.362 0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.300 12.229 0.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.893 13.449 1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.634 12.439 2.425 1.00 0.00 H new ATOM 204 N LYS A 14 1.012 15.984 3.765 1.00 0.00 N ATOM 205 CA LYS A 14 -0.170 15.250 3.424 1.00 0.00 C ATOM 206 C LYS A 14 -0.730 15.840 2.126 1.00 0.00 C ATOM 207 O LYS A 14 -0.107 16.749 1.550 1.00 0.00 O ATOM 208 CB LYS A 14 -1.204 15.296 4.551 1.00 0.00 C ATOM 209 CG LYS A 14 -0.705 14.690 5.856 1.00 0.00 C ATOM 210 CD LYS A 14 -1.791 14.623 6.912 1.00 0.00 C ATOM 211 CE LYS A 14 -2.307 15.993 7.283 1.00 0.00 C ATOM 212 NZ LYS A 14 -3.355 15.917 8.312 1.00 0.00 N ATOM 0 H LYS A 14 0.843 16.836 4.300 1.00 0.00 H new ATOM 0 HA LYS A 14 0.075 14.198 3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.492 16.332 4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.101 14.765 4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.324 13.687 5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.129 15.282 6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.616 14.012 6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.401 14.130 7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.483 16.606 7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.703 16.486 6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.686 16.876 8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.152 15.352 7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.969 15.469 9.168 1.00 0.00 H new ATOM 226 N GLY A 15 -1.878 15.366 1.647 1.00 0.00 N ATOM 227 CA GLY A 15 -2.396 15.836 0.360 1.00 0.00 C ATOM 228 C GLY A 15 -1.652 15.224 -0.849 1.00 0.00 C ATOM 229 O GLY A 15 -2.271 14.956 -1.888 1.00 0.00 O ATOM 0 H GLY A 15 -2.458 14.671 2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.456 15.591 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.316 16.922 0.317 1.00 0.00 H new ATOM 233 N LYS A 16 -0.326 15.028 -0.731 1.00 0.00 N ATOM 234 CA LYS A 16 0.466 14.424 -1.758 1.00 0.00 C ATOM 235 C LYS A 16 0.103 12.950 -1.906 1.00 0.00 C ATOM 236 O LYS A 16 0.179 12.171 -0.941 1.00 0.00 O ATOM 237 CB LYS A 16 1.956 14.575 -1.419 1.00 0.00 C ATOM 238 CG LYS A 16 2.903 13.978 -2.448 1.00 0.00 C ATOM 239 CD LYS A 16 2.822 14.690 -3.791 1.00 0.00 C ATOM 240 CE LYS A 16 3.705 13.997 -4.805 1.00 0.00 C ATOM 241 NZ LYS A 16 3.691 14.639 -6.130 1.00 0.00 N ATOM 0 H LYS A 16 0.208 15.295 0.096 1.00 0.00 H new ATOM 0 HA LYS A 16 0.265 14.926 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.184 15.635 -1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.145 14.104 -0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.925 14.032 -2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.669 12.922 -2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.791 14.701 -4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.131 15.729 -3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.728 13.977 -4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.383 12.961 -4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.316 14.115 -6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.722 14.636 -6.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.026 15.620 -6.044 1.00 0.00 H new ATOM 255 N THR A 17 -0.304 12.596 -3.096 1.00 0.00 N ATOM 256 CA THR A 17 -0.655 11.254 -3.451 1.00 0.00 C ATOM 257 C THR A 17 0.608 10.365 -3.417 1.00 0.00 C ATOM 258 O THR A 17 1.617 10.657 -4.072 1.00 0.00 O ATOM 259 CB THR A 17 -1.302 11.289 -4.852 1.00 0.00 C ATOM 260 OG1 THR A 17 -2.414 12.202 -4.797 1.00 0.00 O ATOM 261 CG2 THR A 17 -1.808 9.923 -5.304 1.00 0.00 C ATOM 0 H THR A 17 -0.402 13.257 -3.866 1.00 0.00 H new ATOM 0 HA THR A 17 -1.368 10.828 -2.745 1.00 0.00 H new ATOM 0 HB THR A 17 -0.545 11.603 -5.570 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.845 12.246 -5.676 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.253 10.009 -6.295 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.976 9.220 -5.340 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.558 9.562 -4.600 1.00 0.00 H new ATOM 269 N LEU A 18 0.551 9.320 -2.629 1.00 0.00 N ATOM 270 CA LEU A 18 1.673 8.445 -2.428 1.00 0.00 C ATOM 271 C LEU A 18 1.176 7.044 -2.830 1.00 0.00 C ATOM 272 O LEU A 18 0.147 6.570 -2.345 1.00 0.00 O ATOM 273 CB LEU A 18 2.058 8.549 -0.917 1.00 0.00 C ATOM 274 CG LEU A 18 3.545 8.385 -0.438 1.00 0.00 C ATOM 275 CD1 LEU A 18 4.102 7.003 -0.514 1.00 0.00 C ATOM 276 CD2 LEU A 18 4.507 9.389 -1.058 1.00 0.00 C ATOM 0 H LEU A 18 -0.283 9.053 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 18 2.560 8.687 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.719 9.525 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.470 7.800 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 18 3.463 8.611 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.133 7.006 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.506 6.336 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.075 6.656 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.513 9.211 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.503 9.275 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.194 10.400 -0.798 1.00 0.00 H new ATOM 288 N MET A 19 1.816 6.437 -3.785 1.00 0.00 N ATOM 289 CA MET A 19 1.368 5.120 -4.229 1.00 0.00 C ATOM 290 C MET A 19 2.347 4.060 -3.797 1.00 0.00 C ATOM 291 O MET A 19 3.565 4.228 -3.938 1.00 0.00 O ATOM 292 CB MET A 19 1.125 5.038 -5.759 1.00 0.00 C ATOM 293 CG MET A 19 2.360 4.834 -6.637 1.00 0.00 C ATOM 294 SD MET A 19 1.932 4.613 -8.377 1.00 0.00 S ATOM 295 CE MET A 19 3.496 4.040 -9.050 1.00 0.00 C ATOM 0 H MET A 19 2.632 6.809 -4.271 1.00 0.00 H new ATOM 0 HA MET A 19 0.403 4.945 -3.752 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.431 4.219 -5.951 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.630 5.956 -6.075 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.023 5.693 -6.534 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.912 3.962 -6.287 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.337 3.643 -10.053 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.199 4.872 -9.096 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.902 3.257 -8.410 1.00 0.00 H new ATOM 305 N MET A 20 1.850 2.995 -3.261 1.00 0.00 N ATOM 306 CA MET A 20 2.711 1.932 -2.840 1.00 0.00 C ATOM 307 C MET A 20 2.589 0.764 -3.707 1.00 0.00 C ATOM 308 O MET A 20 1.499 0.175 -3.801 1.00 0.00 O ATOM 309 CB MET A 20 2.443 1.489 -1.422 1.00 0.00 C ATOM 310 CG MET A 20 3.211 2.229 -0.360 1.00 0.00 C ATOM 311 SD MET A 20 2.893 3.966 -0.353 1.00 0.00 S ATOM 312 CE MET A 20 1.184 3.880 0.011 1.00 0.00 C ATOM 0 H MET A 20 0.855 2.835 -3.103 1.00 0.00 H new ATOM 0 HA MET A 20 3.719 2.342 -2.900 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.378 1.599 -1.220 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.675 0.427 -1.341 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.958 1.816 0.616 1.00 0.00 H new ATOM 0 HG3 MET A 20 4.278 2.062 -0.510 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.609 4.129 -0.881 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.932 2.871 0.336 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.945 4.587 0.805 1.00 0.00 H new ATOM 322 N PHE A 21 3.680 0.405 -4.332 1.00 0.00 N ATOM 323 CA PHE A 21 3.697 -0.807 -5.045 1.00 0.00 C ATOM 324 C PHE A 21 4.469 -1.768 -4.195 1.00 0.00 C ATOM 325 O PHE A 21 5.563 -1.444 -3.659 1.00 0.00 O ATOM 326 CB PHE A 21 4.186 -0.728 -6.523 1.00 0.00 C ATOM 327 CG PHE A 21 5.630 -0.464 -6.787 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.565 -1.496 -6.725 1.00 0.00 C ATOM 329 CD2 PHE A 21 6.042 0.790 -7.168 1.00 0.00 C ATOM 330 CE1 PHE A 21 7.878 -1.274 -7.026 1.00 0.00 C ATOM 331 CE2 PHE A 21 7.370 1.030 -7.467 1.00 0.00 C ATOM 332 CZ PHE A 21 8.292 -0.006 -7.397 1.00 0.00 C ATOM 0 H PHE A 21 4.549 0.939 -4.352 1.00 0.00 H new ATOM 0 HA PHE A 21 2.673 -1.146 -5.203 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.928 -1.670 -7.007 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.611 0.053 -7.020 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.246 -2.486 -6.434 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.324 1.594 -7.234 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.591 -2.084 -6.975 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.690 2.021 -7.754 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.330 0.177 -7.632 1.00 0.00 H new ATOM 342 N VAL A 22 3.892 -2.862 -3.985 1.00 0.00 N ATOM 343 CA VAL A 22 4.383 -3.804 -3.070 1.00 0.00 C ATOM 344 C VAL A 22 4.618 -5.141 -3.722 1.00 0.00 C ATOM 345 O VAL A 22 3.733 -5.696 -4.387 1.00 0.00 O ATOM 346 CB VAL A 22 3.441 -3.873 -1.803 1.00 0.00 C ATOM 347 CG1 VAL A 22 2.009 -3.573 -2.186 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.505 -5.221 -1.069 1.00 0.00 C ATOM 0 H VAL A 22 3.034 -3.147 -4.456 1.00 0.00 H new ATOM 0 HA VAL A 22 5.363 -3.482 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 22 3.810 -3.114 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.377 -3.626 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.949 -2.573 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.668 -4.304 -2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.835 -5.200 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.201 -6.019 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.525 -5.402 -0.729 1.00 0.00 H new ATOM 358 N THR A 23 5.827 -5.597 -3.592 1.00 0.00 N ATOM 359 CA THR A 23 6.200 -6.883 -4.011 1.00 0.00 C ATOM 360 C THR A 23 5.612 -7.848 -2.932 1.00 0.00 C ATOM 361 O THR A 23 5.902 -7.663 -1.728 1.00 0.00 O ATOM 362 CB THR A 23 7.739 -6.982 -4.027 1.00 0.00 C ATOM 363 OG1 THR A 23 8.278 -6.007 -4.943 1.00 0.00 O ATOM 364 CG2 THR A 23 8.215 -8.377 -4.406 1.00 0.00 C ATOM 0 H THR A 23 6.589 -5.059 -3.179 1.00 0.00 H new ATOM 0 HA THR A 23 5.837 -7.123 -5.010 1.00 0.00 H new ATOM 0 HB THR A 23 8.098 -6.778 -3.018 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.902 -5.420 -4.467 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.305 -8.402 -4.405 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.835 -9.100 -3.684 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.847 -8.629 -5.401 1.00 0.00 H new ATOM 372 N VAL A 24 4.816 -8.838 -3.287 1.00 0.00 N ATOM 373 CA VAL A 24 4.137 -9.545 -2.299 1.00 0.00 C ATOM 374 C VAL A 24 4.347 -11.074 -2.446 1.00 0.00 C ATOM 375 O VAL A 24 4.126 -11.581 -3.504 1.00 0.00 O ATOM 376 CB VAL A 24 2.604 -9.210 -2.335 1.00 0.00 C ATOM 377 CG1 VAL A 24 2.134 -9.239 -3.741 1.00 0.00 C ATOM 378 CG2 VAL A 24 1.806 -10.236 -1.572 1.00 0.00 C ATOM 0 H VAL A 24 4.646 -9.143 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 24 4.548 -9.237 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 24 2.464 -8.227 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.069 -9.007 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.684 -8.500 -4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.302 -10.231 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.748 -9.979 -1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.958 -11.219 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.134 -10.253 -0.533 1.00 0.00 H new ATOM 388 N SER A 25 4.839 -11.789 -1.395 1.00 0.00 N ATOM 389 CA SER A 25 4.819 -13.239 -1.347 1.00 0.00 C ATOM 390 C SER A 25 5.783 -13.974 -2.310 1.00 0.00 C ATOM 391 O SER A 25 6.559 -14.840 -1.861 1.00 0.00 O ATOM 392 CB SER A 25 3.369 -13.702 -1.431 1.00 0.00 C ATOM 393 OG SER A 25 3.211 -15.105 -1.501 1.00 0.00 O ATOM 0 H SER A 25 5.255 -11.356 -0.570 1.00 0.00 H new ATOM 0 HA SER A 25 5.244 -13.537 -0.388 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.830 -13.330 -0.560 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.906 -13.251 -2.309 1.00 0.00 H new ATOM 0 HG SER A 25 2.299 -15.345 -1.234 1.00 0.00 H new ATOM 399 N GLY A 26 5.782 -13.635 -3.566 1.00 0.00 N ATOM 400 CA GLY A 26 6.643 -14.278 -4.487 1.00 0.00 C ATOM 401 C GLY A 26 5.955 -15.313 -5.316 1.00 0.00 C ATOM 402 O GLY A 26 6.622 -16.231 -5.826 1.00 0.00 O ATOM 0 H GLY A 26 5.187 -12.911 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.084 -13.529 -5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.463 -14.745 -3.942 1.00 0.00 H new ATOM 406 N ASN A 27 4.640 -15.228 -5.491 1.00 0.00 N ATOM 407 CA ASN A 27 4.017 -16.225 -6.282 1.00 0.00 C ATOM 408 C ASN A 27 3.395 -15.657 -7.524 1.00 0.00 C ATOM 409 O ASN A 27 2.389 -14.947 -7.486 1.00 0.00 O ATOM 410 CB ASN A 27 3.077 -17.181 -5.507 1.00 0.00 C ATOM 411 CG ASN A 27 1.829 -16.566 -4.933 1.00 0.00 C ATOM 412 OD1 ASN A 27 0.773 -16.521 -5.575 1.00 0.00 O ATOM 413 ND2 ASN A 27 1.914 -16.124 -3.719 1.00 0.00 N ATOM 0 H ASN A 27 4.029 -14.507 -5.107 1.00 0.00 H new ATOM 0 HA ASN A 27 4.830 -16.875 -6.605 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.784 -17.990 -6.176 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.643 -17.631 -4.692 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.094 -15.723 -3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.801 -16.177 -3.218 1.00 0.00 H new ATOM 420 N PRO A 28 3.964 -15.978 -8.680 1.00 0.00 N ATOM 421 CA PRO A 28 3.423 -15.565 -9.967 1.00 0.00 C ATOM 422 C PRO A 28 2.174 -16.396 -10.291 1.00 0.00 C ATOM 423 O PRO A 28 1.895 -16.684 -11.460 1.00 0.00 O ATOM 424 CB PRO A 28 4.555 -15.949 -10.961 1.00 0.00 C ATOM 425 CG PRO A 28 5.736 -16.280 -10.121 1.00 0.00 C ATOM 426 CD PRO A 28 5.187 -16.778 -8.833 1.00 0.00 C ATOM 0 HA PRO A 28 3.142 -14.512 -10.000 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.263 -16.799 -11.577 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.776 -15.125 -11.639 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.358 -17.036 -10.600 1.00 0.00 H new ATOM 0 HG3 PRO A 28 6.364 -15.403 -9.966 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.972 -17.846 -8.869 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.881 -16.620 -8.008 1.00 0.00 H new ATOM 434 N THR A 29 1.367 -16.704 -9.268 1.00 0.00 N ATOM 435 CA THR A 29 0.249 -17.696 -9.474 1.00 0.00 C ATOM 436 C THR A 29 -1.044 -16.961 -9.963 1.00 0.00 C ATOM 437 O THR A 29 -2.103 -17.073 -9.340 1.00 0.00 O ATOM 438 CB THR A 29 -0.016 -18.407 -8.115 1.00 0.00 C ATOM 439 OG1 THR A 29 1.256 -18.823 -7.578 1.00 0.00 O ATOM 440 CG2 THR A 29 -0.874 -19.658 -8.306 1.00 0.00 C ATOM 0 H THR A 29 1.440 -16.316 -8.327 1.00 0.00 H new ATOM 0 HA THR A 29 0.527 -18.426 -10.234 1.00 0.00 H new ATOM 0 HB THR A 29 -0.537 -17.717 -7.451 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.117 -19.273 -6.719 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.043 -20.134 -7.340 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.832 -19.379 -8.745 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.360 -20.354 -8.969 1.00 0.00 H new ATOM 448 N GLU A 30 -0.909 -16.121 -11.092 1.00 0.00 N ATOM 449 CA GLU A 30 -1.917 -15.077 -11.458 1.00 0.00 C ATOM 450 C GLU A 30 -1.821 -14.094 -10.331 1.00 0.00 C ATOM 451 O GLU A 30 -2.676 -13.180 -10.030 1.00 0.00 O ATOM 452 CB GLU A 30 -3.338 -15.581 -11.628 1.00 0.00 C ATOM 453 CG GLU A 30 -4.279 -14.445 -11.961 1.00 0.00 C ATOM 454 CD GLU A 30 -4.042 -13.847 -13.329 1.00 0.00 C ATOM 455 OE1 GLU A 30 -3.076 -13.082 -13.502 1.00 0.00 O ATOM 456 OE2 GLU A 30 -4.839 -14.111 -14.264 1.00 0.00 O ATOM 0 H GLU A 30 -0.117 -16.169 -11.733 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.696 -14.662 -12.441 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.370 -16.329 -12.420 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.665 -16.073 -10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.306 -14.806 -11.904 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.173 -13.664 -11.208 1.00 0.00 H new ATOM 463 N LYS A 31 -0.700 -14.236 -9.719 1.00 0.00 N ATOM 464 CA LYS A 31 -0.362 -13.552 -8.718 1.00 0.00 C ATOM 465 C LYS A 31 -1.265 -13.733 -7.509 1.00 0.00 C ATOM 466 O LYS A 31 -2.597 -13.850 -7.499 1.00 0.00 O ATOM 467 CB LYS A 31 0.200 -12.089 -9.057 1.00 0.00 C ATOM 468 CG LYS A 31 -0.267 -11.322 -10.359 1.00 0.00 C ATOM 469 CD LYS A 31 0.188 -11.997 -11.623 1.00 0.00 C ATOM 470 CE LYS A 31 -0.161 -11.155 -12.842 1.00 0.00 C ATOM 471 NZ LYS A 31 0.412 -11.683 -14.094 1.00 0.00 N ATOM 0 H LYS A 31 0.004 -14.918 -10.001 1.00 0.00 H new ATOM 0 HA LYS A 31 0.557 -14.000 -8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.038 -11.450 -8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.286 -12.166 -9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.355 -11.248 -10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.121 -10.304 -10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.265 -12.161 -11.585 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.281 -12.977 -11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.245 -11.101 -12.940 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.196 -10.137 -12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.456 -10.924 -14.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.371 -12.043 -13.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.186 -12.456 -14.451 1.00 0.00 H new ATOM 485 N GLU A 32 -0.606 -13.672 -6.475 1.00 0.00 N ATOM 486 CA GLU A 32 -1.182 -13.588 -5.259 1.00 0.00 C ATOM 487 C GLU A 32 -1.867 -12.206 -5.236 1.00 0.00 C ATOM 488 O GLU A 32 -2.740 -11.991 -4.509 1.00 0.00 O ATOM 489 CB GLU A 32 -0.080 -13.763 -4.261 1.00 0.00 C ATOM 490 CG GLU A 32 0.882 -12.600 -4.054 1.00 0.00 C ATOM 491 CD GLU A 32 1.752 -12.412 -5.272 1.00 0.00 C ATOM 492 OE1 GLU A 32 2.756 -13.130 -5.386 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.361 -11.615 -6.187 1.00 0.00 O ATOM 0 H GLU A 32 0.414 -13.680 -6.454 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.937 -14.340 -5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.534 -13.997 -3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.505 -14.633 -4.558 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.321 -11.687 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.505 -12.787 -3.180 1.00 0.00 H new ATOM 500 N THR A 33 -1.531 -11.415 -6.271 1.00 0.00 N ATOM 501 CA THR A 33 -2.036 -10.193 -6.587 1.00 0.00 C ATOM 502 C THR A 33 -3.475 -10.371 -7.049 1.00 0.00 C ATOM 503 O THR A 33 -4.257 -9.557 -6.734 1.00 0.00 O ATOM 504 CB THR A 33 -1.206 -9.575 -7.701 1.00 0.00 C ATOM 505 OG1 THR A 33 0.146 -9.394 -7.239 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.795 -8.259 -8.130 1.00 0.00 C ATOM 0 H THR A 33 -0.817 -11.707 -6.939 1.00 0.00 H new ATOM 0 HA THR A 33 -2.005 -9.535 -5.719 1.00 0.00 H new ATOM 0 HB THR A 33 -1.207 -10.242 -8.563 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.442 -10.201 -6.768 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.188 -7.831 -8.928 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.811 -8.416 -8.492 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.813 -7.575 -7.282 1.00 0.00 H new ATOM 514 N GLU A 34 -3.872 -11.489 -7.772 1.00 0.00 N ATOM 515 CA GLU A 34 -5.272 -11.588 -8.111 1.00 0.00 C ATOM 516 C GLU A 34 -6.006 -11.959 -6.845 1.00 0.00 C ATOM 517 O GLU A 34 -7.076 -11.376 -6.515 1.00 0.00 O ATOM 518 CB GLU A 34 -5.598 -12.634 -9.199 1.00 0.00 C ATOM 519 CG GLU A 34 -5.601 -14.108 -8.700 1.00 0.00 C ATOM 520 CD GLU A 34 -6.444 -15.061 -9.518 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.550 -14.687 -9.947 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.036 -16.223 -9.712 1.00 0.00 O ATOM 0 H GLU A 34 -3.270 -12.249 -8.088 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.578 -10.627 -8.525 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.576 -12.406 -9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.871 -12.539 -10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.574 -14.474 -8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.957 -14.126 -7.670 1.00 0.00 H new ATOM 529 N GLU A 35 -5.370 -12.881 -6.082 1.00 0.00 N ATOM 530 CA GLU A 35 -5.999 -13.414 -4.843 1.00 0.00 C ATOM 531 C GLU A 35 -6.269 -12.229 -3.876 1.00 0.00 C ATOM 532 O GLU A 35 -7.430 -11.900 -3.452 1.00 0.00 O ATOM 533 CB GLU A 35 -5.003 -14.436 -4.183 1.00 0.00 C ATOM 534 CG GLU A 35 -5.594 -15.252 -3.064 1.00 0.00 C ATOM 535 CD GLU A 35 -6.804 -16.025 -3.524 1.00 0.00 C ATOM 536 OE1 GLU A 35 -6.655 -17.103 -4.113 1.00 0.00 O ATOM 537 OE2 GLU A 35 -7.935 -15.560 -3.307 1.00 0.00 O ATOM 0 H GLU A 35 -4.448 -13.264 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.940 -13.916 -5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.634 -15.113 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.142 -13.889 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.843 -15.943 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.872 -14.595 -2.240 1.00 0.00 H new ATOM 544 N ILE A 36 -5.218 -11.589 -3.619 1.00 0.00 N ATOM 545 CA ILE A 36 -5.109 -10.478 -2.778 1.00 0.00 C ATOM 546 C ILE A 36 -5.777 -9.219 -3.379 1.00 0.00 C ATOM 547 O ILE A 36 -6.188 -8.410 -2.651 1.00 0.00 O ATOM 548 CB ILE A 36 -3.635 -10.297 -2.550 1.00 0.00 C ATOM 549 CG1 ILE A 36 -3.012 -10.938 -1.284 1.00 0.00 C ATOM 550 CG2 ILE A 36 -2.978 -9.042 -3.066 1.00 0.00 C ATOM 551 CD1 ILE A 36 -1.539 -11.208 -1.526 1.00 0.00 C ATOM 0 H ILE A 36 -4.321 -11.850 -4.029 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.637 -10.634 -1.838 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.297 -11.000 -3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.135 -10.273 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.528 -11.867 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.916 -9.061 -2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.102 -8.985 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.441 -8.171 -2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.101 -11.659 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.428 -11.889 -2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.029 -10.270 -1.747 1.00 0.00 H new ATOM 563 N THR A 37 -5.933 -9.067 -4.707 1.00 0.00 N ATOM 564 CA THR A 37 -6.612 -7.847 -5.170 1.00 0.00 C ATOM 565 C THR A 37 -8.047 -7.954 -4.898 1.00 0.00 C ATOM 566 O THR A 37 -8.649 -7.004 -4.408 1.00 0.00 O ATOM 567 CB THR A 37 -6.390 -7.414 -6.650 1.00 0.00 C ATOM 568 OG1 THR A 37 -6.443 -8.526 -7.542 1.00 0.00 O ATOM 569 CG2 THR A 37 -5.104 -6.610 -6.833 1.00 0.00 C ATOM 0 H THR A 37 -5.625 -9.719 -5.429 1.00 0.00 H new ATOM 0 HA THR A 37 -6.134 -7.052 -4.598 1.00 0.00 H new ATOM 0 HB THR A 37 -7.217 -6.751 -6.906 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.552 -8.928 -7.617 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.995 -6.332 -7.881 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.148 -5.709 -6.221 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.250 -7.215 -6.527 1.00 0.00 H new ATOM 577 N SER A 38 -8.599 -9.128 -5.149 1.00 0.00 N ATOM 578 CA SER A 38 -9.963 -9.328 -4.853 1.00 0.00 C ATOM 579 C SER A 38 -10.209 -9.116 -3.341 1.00 0.00 C ATOM 580 O SER A 38 -10.997 -8.215 -2.968 1.00 0.00 O ATOM 581 CB SER A 38 -10.483 -10.675 -5.422 1.00 0.00 C ATOM 582 OG SER A 38 -10.219 -10.737 -6.819 1.00 0.00 O ATOM 0 H SER A 38 -8.114 -9.931 -5.551 1.00 0.00 H new ATOM 0 HA SER A 38 -10.566 -8.577 -5.364 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.998 -11.508 -4.913 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.553 -10.769 -5.239 1.00 0.00 H new ATOM 0 HG SER A 38 -9.266 -10.914 -6.964 1.00 0.00 H new ATOM 588 N LEU A 39 -9.424 -9.788 -2.455 1.00 0.00 N ATOM 589 CA LEU A 39 -9.687 -9.610 -1.039 1.00 0.00 C ATOM 590 C LEU A 39 -9.244 -8.208 -0.553 1.00 0.00 C ATOM 591 O LEU A 39 -10.068 -7.457 0.013 1.00 0.00 O ATOM 592 CB LEU A 39 -9.116 -10.764 -0.171 1.00 0.00 C ATOM 593 CG LEU A 39 -9.395 -10.678 1.331 1.00 0.00 C ATOM 594 CD1 LEU A 39 -10.882 -10.785 1.611 1.00 0.00 C ATOM 595 CD2 LEU A 39 -8.636 -11.757 2.073 1.00 0.00 C ATOM 0 H LEU A 39 -8.656 -10.415 -2.694 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.768 -9.661 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.522 -11.705 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.037 -10.802 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.052 -9.706 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.055 -10.721 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.406 -9.971 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.254 -11.740 1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.846 -11.681 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.948 -12.736 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.567 -11.631 1.904 1.00 0.00 H new ATOM 607 N TRP A 40 -8.008 -7.802 -0.876 1.00 0.00 N ATOM 608 CA TRP A 40 -7.487 -6.525 -0.429 1.00 0.00 C ATOM 609 C TRP A 40 -8.192 -5.411 -1.111 1.00 0.00 C ATOM 610 O TRP A 40 -8.959 -4.746 -0.492 1.00 0.00 O ATOM 611 CB TRP A 40 -5.984 -6.321 -0.676 1.00 0.00 C ATOM 612 CG TRP A 40 -5.033 -7.229 0.033 1.00 0.00 C ATOM 613 CD1 TRP A 40 -5.298 -8.153 1.002 1.00 0.00 C ATOM 614 CD2 TRP A 40 -3.623 -7.253 -0.178 1.00 0.00 C ATOM 615 NE1 TRP A 40 -4.127 -8.754 1.405 1.00 0.00 N ATOM 616 CE2 TRP A 40 -3.082 -8.211 0.694 1.00 0.00 C ATOM 617 CE3 TRP A 40 -2.762 -6.547 -1.038 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -1.703 -8.480 0.749 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -1.398 -6.817 -0.979 1.00 0.00 C ATOM 620 CH2 TRP A 40 -0.882 -7.774 -0.088 1.00 0.00 C ATOM 0 H TRP A 40 -7.360 -8.346 -1.445 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.654 -6.528 0.648 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.804 -6.417 -1.747 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.736 -5.296 -0.402 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.279 -8.379 1.394 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.047 -9.482 2.114 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -3.151 -5.813 -1.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.305 -9.219 1.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.723 -6.281 -1.630 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.182 -7.956 -0.063 1.00 0.00 H new ATOM 631 N GLN A 41 -8.004 -5.241 -2.429 1.00 0.00 N ATOM 632 CA GLN A 41 -8.527 -4.044 -3.053 1.00 0.00 C ATOM 633 C GLN A 41 -10.047 -4.049 -3.115 1.00 0.00 C ATOM 634 O GLN A 41 -10.667 -2.962 -3.192 1.00 0.00 O ATOM 635 CB GLN A 41 -7.775 -3.583 -4.372 1.00 0.00 C ATOM 636 CG GLN A 41 -8.116 -4.277 -5.688 1.00 0.00 C ATOM 637 CD GLN A 41 -9.218 -3.556 -6.450 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.394 -3.821 -6.254 1.00 0.00 O ATOM 639 NE2 GLN A 41 -8.838 -2.642 -7.330 1.00 0.00 N ATOM 0 H GLN A 41 -7.517 -5.889 -3.047 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.277 -3.222 -2.382 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.959 -2.517 -4.503 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.705 -3.703 -4.202 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.223 -4.332 -6.310 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.427 -5.302 -5.486 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.846 -2.447 -7.467 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.537 -2.133 -7.871 1.00 0.00 H new ATOM 648 N GLY A 42 -10.662 -5.263 -3.006 1.00 0.00 N ATOM 649 CA GLY A 42 -12.077 -5.336 -2.833 1.00 0.00 C ATOM 650 C GLY A 42 -12.462 -4.642 -1.544 1.00 0.00 C ATOM 651 O GLY A 42 -13.257 -3.711 -1.564 1.00 0.00 O ATOM 0 H GLY A 42 -10.182 -6.163 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.582 -4.866 -3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.398 -6.377 -2.808 1.00 0.00 H new ATOM 655 N SER A 43 -11.833 -5.033 -0.427 1.00 0.00 N ATOM 656 CA SER A 43 -12.114 -4.379 0.850 1.00 0.00 C ATOM 657 C SER A 43 -11.565 -2.931 0.880 1.00 0.00 C ATOM 658 O SER A 43 -12.147 -2.051 1.525 1.00 0.00 O ATOM 659 CB SER A 43 -11.606 -5.214 2.037 1.00 0.00 C ATOM 660 OG SER A 43 -10.234 -5.552 1.897 1.00 0.00 O ATOM 0 H SER A 43 -11.142 -5.782 -0.384 1.00 0.00 H new ATOM 0 HA SER A 43 -13.197 -4.310 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.750 -4.655 2.962 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.198 -6.125 2.120 1.00 0.00 H new ATOM 0 HG SER A 43 -10.140 -6.271 1.238 1.00 0.00 H new ATOM 666 N LEU A 44 -10.471 -2.687 0.136 1.00 0.00 N ATOM 667 CA LEU A 44 -9.868 -1.359 0.030 1.00 0.00 C ATOM 668 C LEU A 44 -10.877 -0.353 -0.544 1.00 0.00 C ATOM 669 O LEU A 44 -10.909 0.813 -0.134 1.00 0.00 O ATOM 670 CB LEU A 44 -8.511 -1.349 -0.784 1.00 0.00 C ATOM 671 CG LEU A 44 -7.386 -2.305 -0.338 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.005 -2.019 -1.054 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.286 -2.330 1.176 1.00 0.00 C ATOM 0 H LEU A 44 -9.987 -3.405 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.605 -1.052 1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.745 -1.573 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.115 -0.334 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.654 -3.309 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.256 -2.726 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.124 -2.131 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.682 -1.003 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.488 -3.009 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.067 -1.327 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.231 -2.672 1.597 1.00 0.00 H new ATOM 685 N PHE A 45 -11.732 -0.813 -1.465 1.00 0.00 N ATOM 686 CA PHE A 45 -12.779 0.042 -2.000 1.00 0.00 C ATOM 687 C PHE A 45 -14.058 -0.108 -1.161 1.00 0.00 C ATOM 688 O PHE A 45 -14.851 0.828 -1.043 1.00 0.00 O ATOM 689 CB PHE A 45 -13.051 -0.299 -3.470 1.00 0.00 C ATOM 690 CG PHE A 45 -14.067 0.582 -4.153 1.00 0.00 C ATOM 691 CD1 PHE A 45 -13.713 1.838 -4.610 1.00 0.00 C ATOM 692 CD2 PHE A 45 -15.370 0.147 -4.345 1.00 0.00 C ATOM 693 CE1 PHE A 45 -14.635 2.646 -5.242 1.00 0.00 C ATOM 694 CE2 PHE A 45 -16.298 0.951 -4.975 1.00 0.00 C ATOM 695 CZ PHE A 45 -15.930 2.203 -5.424 1.00 0.00 C ATOM 0 H PHE A 45 -11.715 -1.759 -1.846 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.448 1.079 -1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -12.112 -0.239 -4.021 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.390 -1.333 -3.530 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -12.702 2.191 -4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -15.662 -0.833 -3.997 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.344 3.625 -5.594 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -17.310 0.601 -5.116 1.00 0.00 H new ATOM 0 HZ PHE A 45 -16.654 2.835 -5.917 1.00 0.00 H new ATOM 705 N ASN A 46 -14.224 -1.273 -0.541 1.00 0.00 N ATOM 706 CA ASN A 46 -15.418 -1.576 0.258 1.00 0.00 C ATOM 707 C ASN A 46 -15.521 -0.673 1.482 1.00 0.00 C ATOM 708 O ASN A 46 -16.608 -0.250 1.854 1.00 0.00 O ATOM 709 CB ASN A 46 -15.485 -3.082 0.636 1.00 0.00 C ATOM 710 CG ASN A 46 -16.660 -3.434 1.534 1.00 0.00 C ATOM 711 OD1 ASN A 46 -17.762 -3.700 1.055 1.00 0.00 O ATOM 712 ND2 ASN A 46 -16.428 -3.505 2.823 1.00 0.00 N ATOM 0 H ASN A 46 -13.543 -2.032 -0.575 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.288 -1.365 -0.364 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.546 -3.674 -0.277 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.559 -3.363 1.137 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -17.173 -3.787 3.460 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -15.503 -3.278 3.188 1.00 0.00 H new ATOM 719 N ALA A 47 -14.387 -0.325 2.062 1.00 0.00 N ATOM 720 CA ALA A 47 -14.366 0.553 3.216 1.00 0.00 C ATOM 721 C ALA A 47 -14.233 2.010 2.777 1.00 0.00 C ATOM 722 O ALA A 47 -14.187 2.918 3.607 1.00 0.00 O ATOM 723 CB ALA A 47 -13.227 0.172 4.132 1.00 0.00 C ATOM 0 H ALA A 47 -13.467 -0.638 1.752 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.305 0.444 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.218 0.836 4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.358 -0.857 4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.283 0.262 3.595 1.00 0.00 H new ATOM 729 N ASN A 48 -14.174 2.202 1.456 1.00 0.00 N ATOM 730 CA ASN A 48 -14.053 3.509 0.801 1.00 0.00 C ATOM 731 C ASN A 48 -12.854 4.336 1.343 1.00 0.00 C ATOM 732 O ASN A 48 -13.037 5.393 1.956 1.00 0.00 O ATOM 733 CB ASN A 48 -15.393 4.319 0.900 1.00 0.00 C ATOM 734 CG ASN A 48 -15.393 5.642 0.096 1.00 0.00 C ATOM 735 OD1 ASN A 48 -15.703 5.661 -1.098 1.00 0.00 O ATOM 736 ND2 ASN A 48 -15.069 6.737 0.741 1.00 0.00 N ATOM 0 H ASN A 48 -14.210 1.429 0.792 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.850 3.316 -0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.211 3.692 0.546 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.593 4.543 1.948 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.069 7.634 0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.817 6.692 1.728 1.00 0.00 H new ATOM 743 N TYR A 49 -11.626 3.807 1.266 1.00 0.00 N ATOM 744 CA TYR A 49 -10.484 4.674 1.597 1.00 0.00 C ATOM 745 C TYR A 49 -10.095 5.785 0.518 1.00 0.00 C ATOM 746 O TYR A 49 -9.184 6.573 0.771 1.00 0.00 O ATOM 747 CB TYR A 49 -9.281 3.853 2.023 1.00 0.00 C ATOM 748 CG TYR A 49 -9.323 3.345 3.417 1.00 0.00 C ATOM 749 CD1 TYR A 49 -9.274 4.206 4.494 1.00 0.00 C ATOM 750 CD2 TYR A 49 -9.386 1.996 3.652 1.00 0.00 C ATOM 751 CE1 TYR A 49 -9.293 3.726 5.784 1.00 0.00 C ATOM 752 CE2 TYR A 49 -9.401 1.493 4.927 1.00 0.00 C ATOM 753 CZ TYR A 49 -9.358 2.360 5.997 1.00 0.00 C ATOM 754 OH TYR A 49 -9.384 1.855 7.290 1.00 0.00 O ATOM 0 H TYR A 49 -11.402 2.849 0.997 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.838 5.266 2.441 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.183 3.004 1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.385 4.462 1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.220 5.271 4.323 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.425 1.315 2.815 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.258 4.408 6.621 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.446 0.427 5.091 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.431 0.877 7.258 1.00 0.00 H new ATOM 764 N ASP A 50 -10.813 5.878 -0.632 1.00 0.00 N ATOM 765 CA ASP A 50 -10.539 6.871 -1.726 1.00 0.00 C ATOM 766 C ASP A 50 -9.151 6.653 -2.320 1.00 0.00 C ATOM 767 O ASP A 50 -8.220 7.433 -2.101 1.00 0.00 O ATOM 768 CB ASP A 50 -10.752 8.342 -1.263 1.00 0.00 C ATOM 769 CG ASP A 50 -10.568 9.362 -2.379 1.00 0.00 C ATOM 770 OD1 ASP A 50 -11.422 9.435 -3.276 1.00 0.00 O ATOM 771 OD2 ASP A 50 -9.576 10.136 -2.371 1.00 0.00 O ATOM 0 H ASP A 50 -11.604 5.267 -0.835 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.271 6.696 -2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.756 8.443 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.053 8.566 -0.458 1.00 0.00 H new ATOM 776 N VAL A 51 -9.006 5.525 -2.996 1.00 0.00 N ATOM 777 CA VAL A 51 -7.724 5.050 -3.503 1.00 0.00 C ATOM 778 C VAL A 51 -7.892 4.271 -4.827 1.00 0.00 C ATOM 779 O VAL A 51 -9.000 4.003 -5.265 1.00 0.00 O ATOM 780 CB VAL A 51 -7.106 4.070 -2.467 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.567 4.768 -1.249 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.144 3.104 -2.035 1.00 0.00 C ATOM 0 H VAL A 51 -9.785 4.903 -3.212 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.089 5.920 -3.672 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.271 3.570 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.149 4.032 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.788 5.470 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.373 5.309 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.718 2.413 -1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.975 3.642 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.503 2.545 -2.899 1.00 0.00 H new ATOM 792 N GLN A 52 -6.782 3.887 -5.428 1.00 0.00 N ATOM 793 CA GLN A 52 -6.754 2.997 -6.609 1.00 0.00 C ATOM 794 C GLN A 52 -5.741 1.934 -6.313 1.00 0.00 C ATOM 795 O GLN A 52 -4.682 2.227 -5.821 1.00 0.00 O ATOM 796 CB GLN A 52 -6.381 3.714 -7.931 1.00 0.00 C ATOM 797 CG GLN A 52 -7.412 4.710 -8.468 1.00 0.00 C ATOM 798 CD GLN A 52 -7.462 6.029 -7.720 1.00 0.00 C ATOM 799 OE1 GLN A 52 -8.516 6.657 -7.625 1.00 0.00 O ATOM 800 NE2 GLN A 52 -6.337 6.474 -7.231 1.00 0.00 N ATOM 0 H GLN A 52 -5.855 4.179 -5.118 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.757 2.601 -6.769 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.439 4.242 -7.782 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.205 2.957 -8.695 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.193 4.910 -9.517 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.399 4.248 -8.431 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.484 5.923 -7.330 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.310 7.373 -6.749 1.00 0.00 H new ATOM 809 N ARG A 53 -6.073 0.706 -6.518 1.00 0.00 N ATOM 810 CA ARG A 53 -5.173 -0.359 -6.144 1.00 0.00 C ATOM 811 C ARG A 53 -5.035 -1.259 -7.325 1.00 0.00 C ATOM 812 O ARG A 53 -6.040 -1.706 -7.899 1.00 0.00 O ATOM 813 CB ARG A 53 -5.613 -1.103 -4.853 1.00 0.00 C ATOM 814 CG ARG A 53 -5.889 -0.207 -3.630 1.00 0.00 C ATOM 815 CD ARG A 53 -7.150 0.548 -3.796 1.00 0.00 C ATOM 816 NE ARG A 53 -8.333 -0.301 -3.990 1.00 0.00 N ATOM 817 CZ ARG A 53 -9.360 0.010 -4.809 1.00 0.00 C ATOM 818 NH1 ARG A 53 -9.440 1.219 -5.347 1.00 0.00 N ATOM 819 NH2 ARG A 53 -10.329 -0.863 -5.026 1.00 0.00 N ATOM 0 H ARG A 53 -6.952 0.404 -6.939 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.199 0.053 -5.881 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.515 -1.674 -5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.838 -1.822 -4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.945 -0.821 -2.731 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.061 0.488 -3.490 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.305 1.174 -2.917 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.051 1.217 -4.651 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.381 -1.180 -3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.725 1.917 -5.142 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.217 1.452 -5.966 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.303 -1.777 -4.574 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.103 -0.623 -5.646 1.00 0.00 H new ATOM 833 N PHE A 54 -3.826 -1.552 -7.675 1.00 0.00 N ATOM 834 CA PHE A 54 -3.575 -2.027 -9.034 1.00 0.00 C ATOM 835 C PHE A 54 -2.669 -3.245 -9.082 1.00 0.00 C ATOM 836 O PHE A 54 -1.874 -3.477 -8.163 1.00 0.00 O ATOM 837 CB PHE A 54 -2.983 -0.847 -9.852 1.00 0.00 C ATOM 838 CG PHE A 54 -3.023 -0.985 -11.356 1.00 0.00 C ATOM 839 CD1 PHE A 54 -4.193 -0.721 -12.049 1.00 0.00 C ATOM 840 CD2 PHE A 54 -1.894 -1.344 -12.074 1.00 0.00 C ATOM 841 CE1 PHE A 54 -4.238 -0.818 -13.427 1.00 0.00 C ATOM 842 CE2 PHE A 54 -1.934 -1.446 -13.451 1.00 0.00 C ATOM 843 CZ PHE A 54 -3.107 -1.183 -14.128 1.00 0.00 C ATOM 0 H PHE A 54 -3.005 -1.481 -7.074 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.518 -2.358 -9.469 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.519 0.062 -9.578 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.945 -0.708 -9.549 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.082 -0.436 -11.505 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.971 -1.547 -11.551 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.157 -0.608 -13.954 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.047 -1.732 -13.997 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.140 -1.263 -15.205 1.00 0.00 H new ATOM 853 N ILE A 55 -2.847 -4.038 -10.119 1.00 0.00 N ATOM 854 CA ILE A 55 -2.021 -5.190 -10.399 1.00 0.00 C ATOM 855 C ILE A 55 -0.820 -4.746 -11.246 1.00 0.00 C ATOM 856 O ILE A 55 -0.975 -4.407 -12.424 1.00 0.00 O ATOM 857 CB ILE A 55 -2.816 -6.260 -11.213 1.00 0.00 C ATOM 858 CG1 ILE A 55 -4.077 -6.706 -10.452 1.00 0.00 C ATOM 859 CG2 ILE A 55 -1.926 -7.465 -11.545 1.00 0.00 C ATOM 860 CD1 ILE A 55 -4.975 -7.647 -11.235 1.00 0.00 C ATOM 0 H ILE A 55 -3.588 -3.894 -10.805 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.699 -5.623 -9.452 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.132 -5.802 -12.150 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.775 -7.196 -9.526 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.651 -5.822 -10.173 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.501 -8.197 -12.112 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.073 -7.135 -12.138 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.570 -7.920 -10.621 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.840 -7.913 -10.628 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.310 -7.155 -12.148 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.420 -8.550 -11.492 1.00 0.00 H new ATOM 872 N VAL A 56 0.348 -4.709 -10.647 1.00 0.00 N ATOM 873 CA VAL A 56 1.564 -4.377 -11.366 1.00 0.00 C ATOM 874 C VAL A 56 2.025 -5.619 -12.066 1.00 0.00 C ATOM 875 O VAL A 56 2.436 -5.591 -13.243 1.00 0.00 O ATOM 876 CB VAL A 56 2.689 -3.871 -10.412 1.00 0.00 C ATOM 877 CG1 VAL A 56 4.001 -3.609 -11.150 1.00 0.00 C ATOM 878 CG2 VAL A 56 2.256 -2.616 -9.724 1.00 0.00 C ATOM 0 H VAL A 56 0.486 -4.906 -9.656 1.00 0.00 H new ATOM 0 HA VAL A 56 1.354 -3.571 -12.069 1.00 0.00 H new ATOM 0 HB VAL A 56 2.864 -4.661 -9.682 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.753 -3.259 -10.443 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.345 -4.531 -11.618 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.842 -2.850 -11.916 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.050 -2.272 -9.061 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.046 -1.847 -10.468 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.356 -2.812 -9.141 1.00 0.00 H new ATOM 888 N GLY A 57 1.919 -6.726 -11.370 1.00 0.00 N ATOM 889 CA GLY A 57 2.329 -7.960 -11.975 1.00 0.00 C ATOM 890 C GLY A 57 2.371 -9.087 -11.034 1.00 0.00 C ATOM 891 O GLY A 57 1.890 -8.975 -9.920 1.00 0.00 O ATOM 0 H GLY A 57 1.564 -6.795 -10.416 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.645 -8.201 -12.789 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.317 -7.829 -12.417 1.00 0.00 H new ATOM 895 N SER A 58 2.908 -10.191 -11.499 1.00 0.00 N ATOM 896 CA SER A 58 3.053 -11.377 -10.709 1.00 0.00 C ATOM 897 C SER A 58 3.944 -11.077 -9.555 1.00 0.00 C ATOM 898 O SER A 58 5.098 -10.634 -9.797 1.00 0.00 O ATOM 899 CB SER A 58 3.657 -12.473 -11.584 1.00 0.00 C ATOM 900 OG SER A 58 2.989 -12.541 -12.837 1.00 0.00 O ATOM 0 H SER A 58 3.260 -10.285 -12.452 1.00 0.00 H new ATOM 0 HA SER A 58 2.088 -11.714 -10.331 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.717 -12.276 -11.742 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.584 -13.434 -11.075 1.00 0.00 H new ATOM 0 HG SER A 58 3.391 -13.248 -13.384 1.00 0.00 H new ATOM 906 N ASP A 59 3.414 -11.208 -8.297 1.00 0.00 N ATOM 907 CA ASP A 59 4.187 -11.018 -7.136 1.00 0.00 C ATOM 908 C ASP A 59 4.310 -9.466 -6.839 1.00 0.00 C ATOM 909 O ASP A 59 5.066 -9.019 -5.999 1.00 0.00 O ATOM 910 CB ASP A 59 5.537 -11.789 -7.279 1.00 0.00 C ATOM 911 CG ASP A 59 6.684 -11.346 -6.376 1.00 0.00 C ATOM 912 OD1 ASP A 59 6.596 -11.399 -5.153 1.00 0.00 O ATOM 913 OD2 ASP A 59 7.739 -10.962 -6.932 1.00 0.00 O ATOM 0 H ASP A 59 2.439 -11.448 -8.116 1.00 0.00 H new ATOM 0 HA ASP A 59 3.710 -11.443 -6.252 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.346 -12.845 -7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.868 -11.704 -8.314 1.00 0.00 H new ATOM 918 N ARG A 60 3.501 -8.650 -7.558 1.00 0.00 N ATOM 919 CA ARG A 60 3.486 -7.175 -7.396 1.00 0.00 C ATOM 920 C ARG A 60 2.034 -6.598 -7.388 1.00 0.00 C ATOM 921 O ARG A 60 1.345 -6.585 -8.431 1.00 0.00 O ATOM 922 CB ARG A 60 4.251 -6.474 -8.544 1.00 0.00 C ATOM 923 CG ARG A 60 5.758 -6.212 -8.359 1.00 0.00 C ATOM 924 CD ARG A 60 6.660 -7.444 -8.471 1.00 0.00 C ATOM 925 NE ARG A 60 8.064 -6.997 -8.571 1.00 0.00 N ATOM 926 CZ ARG A 60 9.184 -7.699 -8.318 1.00 0.00 C ATOM 927 NH1 ARG A 60 9.143 -8.907 -7.765 1.00 0.00 N ATOM 928 NH2 ARG A 60 10.363 -7.149 -8.600 1.00 0.00 N ATOM 0 H ARG A 60 2.846 -8.992 -8.261 1.00 0.00 H new ATOM 0 HA ARG A 60 3.967 -6.980 -6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.125 -7.076 -9.444 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.767 -5.516 -8.731 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.076 -5.482 -9.103 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.913 -5.758 -7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.530 -8.088 -7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.388 -8.033 -9.347 1.00 0.00 H new ATOM 0 HE ARG A 60 8.203 -6.032 -8.870 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.246 -9.326 -7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.009 -9.415 -7.585 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.406 -6.212 -9.000 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.223 -7.665 -8.416 1.00 0.00 H new ATOM 942 N ALA A 61 1.637 -6.014 -6.262 1.00 0.00 N ATOM 943 CA ALA A 61 0.297 -5.416 -6.064 1.00 0.00 C ATOM 944 C ALA A 61 0.468 -3.964 -5.631 1.00 0.00 C ATOM 945 O ALA A 61 1.579 -3.582 -5.269 1.00 0.00 O ATOM 946 CB ALA A 61 -0.438 -6.189 -4.970 1.00 0.00 C ATOM 0 H ALA A 61 2.238 -5.935 -5.441 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.276 -5.461 -6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.426 -5.754 -4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.542 -7.232 -5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.129 -6.133 -4.041 1.00 0.00 H new ATOM 952 N ILE A 62 -0.572 -3.110 -5.715 1.00 0.00 N ATOM 953 CA ILE A 62 -0.414 -1.767 -5.148 1.00 0.00 C ATOM 954 C ILE A 62 -1.633 -1.340 -4.452 1.00 0.00 C ATOM 955 O ILE A 62 -2.753 -1.783 -4.808 1.00 0.00 O ATOM 956 CB ILE A 62 -0.148 -0.588 -6.162 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.465 0.144 -6.573 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.596 -1.036 -7.365 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.228 1.371 -7.432 1.00 0.00 C ATOM 0 H ILE A 62 -1.475 -3.312 -6.143 1.00 0.00 H new ATOM 0 HA ILE A 62 0.463 -1.906 -4.516 1.00 0.00 H new ATOM 0 HB ILE A 62 0.481 0.127 -5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.105 -0.552 -7.115 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.005 0.438 -5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.754 -0.188 -8.032 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.560 -1.446 -7.065 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.021 -1.803 -7.884 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.184 1.831 -7.681 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.614 2.085 -6.884 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.716 1.080 -8.349 1.00 0.00 H new ATOM 971 N PHE A 63 -1.411 -0.390 -3.561 1.00 0.00 N ATOM 972 CA PHE A 63 -2.436 0.412 -2.996 1.00 0.00 C ATOM 973 C PHE A 63 -1.996 1.879 -3.155 1.00 0.00 C ATOM 974 O PHE A 63 -0.999 2.330 -2.572 1.00 0.00 O ATOM 975 CB PHE A 63 -2.818 0.025 -1.543 1.00 0.00 C ATOM 976 CG PHE A 63 -1.769 0.182 -0.478 1.00 0.00 C ATOM 977 CD1 PHE A 63 -0.591 -0.545 -0.522 1.00 0.00 C ATOM 978 CD2 PHE A 63 -1.991 1.025 0.602 1.00 0.00 C ATOM 979 CE1 PHE A 63 0.342 -0.429 0.482 1.00 0.00 C ATOM 980 CE2 PHE A 63 -1.059 1.141 1.598 1.00 0.00 C ATOM 981 CZ PHE A 63 0.109 0.413 1.545 1.00 0.00 C ATOM 0 H PHE A 63 -0.479 -0.163 -3.213 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.371 0.243 -3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.682 0.623 -1.253 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.138 -1.017 -1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.403 -1.209 -1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.907 1.594 0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.258 -0.999 0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.240 1.806 2.429 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.840 0.503 2.335 1.00 0.00 H new ATOM 991 N MET A 64 -2.644 2.559 -4.068 1.00 0.00 N ATOM 992 CA MET A 64 -2.344 3.985 -4.361 1.00 0.00 C ATOM 993 C MET A 64 -3.272 4.885 -3.583 1.00 0.00 C ATOM 994 O MET A 64 -4.483 4.861 -3.812 1.00 0.00 O ATOM 995 CB MET A 64 -2.502 4.276 -5.866 1.00 0.00 C ATOM 996 CG MET A 64 -2.259 5.724 -6.282 1.00 0.00 C ATOM 997 SD MET A 64 -2.574 5.980 -8.044 1.00 0.00 S ATOM 998 CE MET A 64 -2.059 7.690 -8.254 1.00 0.00 C ATOM 0 H MET A 64 -3.393 2.166 -4.638 1.00 0.00 H new ATOM 0 HA MET A 64 -1.313 4.180 -4.065 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.812 3.637 -6.417 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.510 3.993 -6.170 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.903 6.382 -5.699 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.230 6.000 -6.053 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.925 7.902 -9.315 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.822 8.353 -7.845 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.118 7.854 -7.729 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.716 5.687 -2.698 1.00 0.00 N ATOM 1009 CA LEU A 65 -3.500 6.560 -1.846 1.00 0.00 C ATOM 1010 C LEU A 65 -3.317 8.006 -2.075 1.00 0.00 C ATOM 1011 O LEU A 65 -2.227 8.495 -2.416 1.00 0.00 O ATOM 1012 CB LEU A 65 -3.669 6.179 -0.361 1.00 0.00 C ATOM 1013 CG LEU A 65 -2.508 5.619 0.374 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -2.195 4.231 -0.124 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -1.322 6.531 0.257 1.00 0.00 C ATOM 0 H LEU A 65 -1.709 5.753 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.490 6.326 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.997 7.071 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.480 5.453 -0.298 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.760 5.544 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.341 3.832 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.059 3.585 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.958 4.271 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.480 6.105 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.054 6.646 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.570 7.506 0.677 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.366 8.672 -1.853 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.524 10.037 -2.326 1.00 0.00 C ATOM 1029 C ARG A 66 -4.389 11.165 -1.287 1.00 0.00 C ATOM 1030 O ARG A 66 -3.508 12.005 -1.444 1.00 0.00 O ATOM 1031 CB ARG A 66 -5.719 10.178 -3.318 1.00 0.00 C ATOM 1032 CG ARG A 66 -6.128 11.605 -3.652 1.00 0.00 C ATOM 1033 CD ARG A 66 -7.057 11.657 -4.861 1.00 0.00 C ATOM 1034 NE ARG A 66 -8.272 10.833 -4.720 1.00 0.00 N ATOM 1035 CZ ARG A 66 -8.953 10.308 -5.758 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -8.484 10.408 -6.994 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -10.083 9.660 -5.547 1.00 0.00 N ATOM 0 H ARG A 66 -5.168 8.312 -1.335 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.619 10.222 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.461 9.666 -4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.581 9.661 -2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.625 12.052 -2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.238 12.202 -3.851 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.351 12.692 -5.036 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.508 11.328 -5.743 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.619 10.649 -3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.600 10.886 -7.167 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.008 10.007 -7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.442 9.556 -4.598 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.598 9.263 -6.333 1.00 0.00 H new ATOM 1051 N ASP A 67 -5.258 11.230 -0.271 1.00 0.00 N ATOM 1052 CA ASP A 67 -5.167 12.297 0.765 1.00 0.00 C ATOM 1053 C ASP A 67 -3.788 12.414 1.525 1.00 0.00 C ATOM 1054 O ASP A 67 -3.606 13.367 2.273 1.00 0.00 O ATOM 1055 CB ASP A 67 -6.278 12.132 1.794 1.00 0.00 C ATOM 1056 CG ASP A 67 -6.648 13.427 2.483 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -7.141 14.356 1.809 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -6.450 13.545 3.705 1.00 0.00 O ATOM 0 H ASP A 67 -6.026 10.573 -0.134 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.269 13.221 0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.161 11.724 1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.965 11.405 2.544 1.00 0.00 H new ATOM 1063 N GLY A 68 -2.818 11.466 1.341 1.00 0.00 N ATOM 1064 CA GLY A 68 -1.546 11.534 2.046 1.00 0.00 C ATOM 1065 C GLY A 68 -1.649 11.527 3.571 1.00 0.00 C ATOM 1066 O GLY A 68 -0.715 11.905 4.234 1.00 0.00 O ATOM 0 H GLY A 68 -2.913 10.666 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.930 10.690 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.025 12.440 1.737 1.00 0.00 H new ATOM 1070 N SER A 69 -2.777 11.148 4.117 1.00 0.00 N ATOM 1071 CA SER A 69 -2.935 11.124 5.566 1.00 0.00 C ATOM 1072 C SER A 69 -3.185 9.707 6.139 1.00 0.00 C ATOM 1073 O SER A 69 -3.654 9.583 7.281 1.00 0.00 O ATOM 1074 CB SER A 69 -4.121 12.013 5.879 1.00 0.00 C ATOM 1075 OG SER A 69 -5.220 11.656 5.036 1.00 0.00 O ATOM 0 H SER A 69 -3.600 10.852 3.592 1.00 0.00 H new ATOM 0 HA SER A 69 -2.010 11.469 6.028 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.403 11.906 6.927 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.856 13.059 5.725 1.00 0.00 H new ATOM 0 HG SER A 69 -5.578 12.461 4.607 1.00 0.00 H new ATOM 1081 N TYR A 70 -2.797 8.655 5.414 1.00 0.00 N ATOM 1082 CA TYR A 70 -3.220 7.307 5.744 1.00 0.00 C ATOM 1083 C TYR A 70 -2.636 6.396 4.682 1.00 0.00 C ATOM 1084 O TYR A 70 -2.472 6.875 3.545 1.00 0.00 O ATOM 1085 CB TYR A 70 -4.789 7.229 5.664 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.363 7.355 4.237 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -5.160 8.489 3.464 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -6.050 6.308 3.669 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -5.611 8.567 2.173 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -6.524 6.377 2.364 1.00 0.00 C ATOM 1091 CZ TYR A 70 -6.285 7.517 1.626 1.00 0.00 C ATOM 1092 OH TYR A 70 -6.716 7.598 0.331 1.00 0.00 O ATOM 0 H TYR A 70 -2.191 8.719 4.596 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.892 7.022 6.744 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.115 6.281 6.091 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.212 8.020 6.283 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.634 9.330 3.890 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.225 5.414 4.249 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.433 9.459 1.590 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.071 5.551 1.935 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.649 7.304 0.278 1.00 0.00 H new ATOM 1102 N ALA A 71 -2.257 5.151 5.068 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.824 4.057 4.145 1.00 0.00 C ATOM 1104 C ALA A 71 -1.022 2.971 4.879 1.00 0.00 C ATOM 1105 O ALA A 71 -1.023 1.771 4.505 1.00 0.00 O ATOM 1106 CB ALA A 71 -0.962 4.575 2.998 1.00 0.00 C ATOM 0 H ALA A 71 -2.242 4.868 6.048 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.747 3.635 3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.673 3.743 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.529 5.302 2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.068 5.050 3.401 1.00 0.00 H new ATOM 1112 N TRP A 72 -0.353 3.328 5.923 1.00 0.00 N ATOM 1113 CA TRP A 72 0.567 2.384 6.456 1.00 0.00 C ATOM 1114 C TRP A 72 -0.003 1.446 7.489 1.00 0.00 C ATOM 1115 O TRP A 72 0.540 0.336 7.724 1.00 0.00 O ATOM 1116 CB TRP A 72 1.992 2.946 6.627 1.00 0.00 C ATOM 1117 CG TRP A 72 2.419 3.472 5.264 1.00 0.00 C ATOM 1118 CD1 TRP A 72 2.324 2.796 4.078 1.00 0.00 C ATOM 1119 CD2 TRP A 72 2.949 4.762 4.917 1.00 0.00 C ATOM 1120 NE1 TRP A 72 2.695 3.604 3.051 1.00 0.00 N ATOM 1121 CE2 TRP A 72 3.086 4.783 3.522 1.00 0.00 C ATOM 1122 CE3 TRP A 72 3.305 5.889 5.621 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 3.544 5.876 2.827 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 3.775 6.975 4.922 1.00 0.00 C ATOM 1125 CH2 TRP A 72 3.886 6.954 3.523 1.00 0.00 C ATOM 0 H TRP A 72 -0.419 4.224 6.406 1.00 0.00 H new ATOM 0 HA TRP A 72 0.752 1.638 5.683 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.008 3.742 7.372 1.00 0.00 H new ATOM 0 HB3 TRP A 72 2.675 2.171 6.974 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.001 1.771 3.974 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.676 3.344 2.065 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.217 5.920 6.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 3.623 5.859 1.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 4.065 7.864 5.461 1.00 0.00 H new ATOM 0 HH2 TRP A 72 4.255 7.827 3.005 1.00 0.00 H new ATOM 1136 N GLU A 73 -1.164 1.805 8.028 1.00 0.00 N ATOM 1137 CA GLU A 73 -1.916 0.826 8.767 1.00 0.00 C ATOM 1138 C GLU A 73 -2.402 -0.216 7.778 1.00 0.00 C ATOM 1139 O GLU A 73 -2.419 -1.435 8.083 1.00 0.00 O ATOM 1140 CB GLU A 73 -3.090 1.389 9.576 1.00 0.00 C ATOM 1141 CG GLU A 73 -2.742 1.766 10.996 1.00 0.00 C ATOM 1142 CD GLU A 73 -1.816 2.931 11.105 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -0.594 2.743 11.122 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -2.320 4.067 11.242 1.00 0.00 O ATOM 0 H GLU A 73 -1.583 2.733 7.966 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.251 0.401 9.519 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.480 2.269 9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.891 0.650 9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.661 1.994 11.536 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.287 0.906 11.488 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.754 0.269 6.555 1.00 0.00 N ATOM 1152 CA ILE A 74 -3.114 -0.610 5.467 1.00 0.00 C ATOM 1153 C ILE A 74 -1.979 -1.660 5.237 1.00 0.00 C ATOM 1154 O ILE A 74 -2.245 -2.922 5.217 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.423 0.117 4.082 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.752 0.855 4.008 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.430 -0.917 3.055 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.834 1.791 2.808 1.00 0.00 C ATOM 0 H ILE A 74 -2.788 1.262 6.324 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.047 -1.079 5.780 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.656 0.880 3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.564 0.130 3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.896 1.429 4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.638 -0.465 2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.457 -1.407 3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.200 -1.653 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.802 2.292 2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.040 2.535 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.718 1.216 1.889 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.702 -1.168 5.125 1.00 0.00 N ATOM 1171 CA LYS A 75 0.390 -2.074 4.827 1.00 0.00 C ATOM 1172 C LYS A 75 0.577 -3.080 5.925 1.00 0.00 C ATOM 1173 O LYS A 75 0.855 -4.247 5.651 1.00 0.00 O ATOM 1174 CB LYS A 75 1.711 -1.359 4.388 1.00 0.00 C ATOM 1175 CG LYS A 75 2.442 -0.478 5.407 1.00 0.00 C ATOM 1176 CD LYS A 75 3.315 -1.258 6.390 1.00 0.00 C ATOM 1177 CE LYS A 75 4.401 -2.048 5.671 1.00 0.00 C ATOM 1178 NZ LYS A 75 5.349 -2.671 6.607 1.00 0.00 N ATOM 0 H LYS A 75 -0.440 -0.188 5.236 1.00 0.00 H new ATOM 0 HA LYS A 75 0.098 -2.632 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.408 -2.128 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.480 -0.740 3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.066 0.238 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.706 0.098 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.774 -0.567 7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.692 -1.939 6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.939 -2.821 5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.943 -1.386 4.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.069 -3.197 6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.811 -1.933 7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.838 -3.324 7.235 1.00 0.00 H new ATOM 1192 N ASP A 76 0.368 -2.649 7.166 1.00 0.00 N ATOM 1193 CA ASP A 76 0.427 -3.579 8.289 1.00 0.00 C ATOM 1194 C ASP A 76 -0.573 -4.714 8.106 1.00 0.00 C ATOM 1195 O ASP A 76 -0.187 -5.894 8.206 1.00 0.00 O ATOM 1196 CB ASP A 76 0.153 -2.889 9.612 1.00 0.00 C ATOM 1197 CG ASP A 76 0.163 -3.846 10.790 1.00 0.00 C ATOM 1198 OD1 ASP A 76 1.244 -4.143 11.336 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -0.927 -4.281 11.223 1.00 0.00 O ATOM 0 H ASP A 76 0.160 -1.682 7.417 1.00 0.00 H new ATOM 0 HA ASP A 76 1.440 -3.980 8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.902 -2.114 9.774 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.815 -2.391 9.563 1.00 0.00 H new ATOM 1204 N PHE A 77 -1.841 -4.368 7.739 1.00 0.00 N ATOM 1205 CA PHE A 77 -2.906 -5.387 7.641 1.00 0.00 C ATOM 1206 C PHE A 77 -2.490 -6.444 6.655 1.00 0.00 C ATOM 1207 O PHE A 77 -2.293 -7.611 6.986 1.00 0.00 O ATOM 1208 CB PHE A 77 -4.259 -4.832 7.129 1.00 0.00 C ATOM 1209 CG PHE A 77 -4.822 -3.613 7.810 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -4.802 -3.482 9.183 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -5.386 -2.595 7.052 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -5.328 -2.360 9.793 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -5.915 -1.475 7.658 1.00 0.00 C ATOM 1214 CZ PHE A 77 -5.886 -1.356 9.029 1.00 0.00 C ATOM 0 H PHE A 77 -2.136 -3.418 7.514 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.043 -5.767 8.653 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.147 -4.602 6.070 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.998 -5.629 7.205 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.370 -4.266 9.788 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.411 -2.682 5.976 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.302 -2.269 10.869 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.352 -0.691 7.057 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.299 -0.479 9.505 1.00 0.00 H new ATOM 1224 N LEU A 78 -2.278 -6.012 5.459 1.00 0.00 N ATOM 1225 CA LEU A 78 -1.993 -6.923 4.386 1.00 0.00 C ATOM 1226 C LEU A 78 -0.733 -7.737 4.540 1.00 0.00 C ATOM 1227 O LEU A 78 -0.758 -8.940 4.248 1.00 0.00 O ATOM 1228 CB LEU A 78 -2.127 -6.236 3.086 1.00 0.00 C ATOM 1229 CG LEU A 78 -1.452 -4.919 2.881 1.00 0.00 C ATOM 1230 CD1 LEU A 78 0.033 -5.048 2.782 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -1.974 -4.387 1.659 1.00 0.00 C ATOM 0 H LEU A 78 -2.295 -5.028 5.191 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.754 -7.702 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.759 -6.916 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.191 -6.091 2.901 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.646 -4.269 3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.475 -4.063 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.422 -5.485 3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.287 -5.690 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.514 -3.420 1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.753 -5.072 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.053 -4.264 1.748 1.00 0.00 H new ATOM 1243 N VAL A 79 0.338 -7.161 5.064 1.00 0.00 N ATOM 1244 CA VAL A 79 1.527 -7.958 5.231 1.00 0.00 C ATOM 1245 C VAL A 79 1.444 -8.822 6.471 1.00 0.00 C ATOM 1246 O VAL A 79 2.285 -9.691 6.700 1.00 0.00 O ATOM 1247 CB VAL A 79 2.865 -7.183 5.138 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.014 -6.530 3.773 1.00 0.00 C ATOM 1249 CG2 VAL A 79 3.052 -6.188 6.266 1.00 0.00 C ATOM 0 H VAL A 79 0.404 -6.189 5.367 1.00 0.00 H new ATOM 0 HA VAL A 79 1.549 -8.612 4.359 1.00 0.00 H new ATOM 0 HB VAL A 79 3.666 -7.913 5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.960 -5.991 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.997 -7.297 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.192 -5.833 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.007 -5.677 6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.244 -5.457 6.244 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.040 -6.714 7.221 1.00 0.00 H new ATOM 1259 N SER A 80 0.444 -8.581 7.284 1.00 0.00 N ATOM 1260 CA SER A 80 0.171 -9.460 8.376 1.00 0.00 C ATOM 1261 C SER A 80 -1.081 -10.304 8.058 1.00 0.00 C ATOM 1262 O SER A 80 -1.537 -11.102 8.901 1.00 0.00 O ATOM 1263 CB SER A 80 -0.045 -8.648 9.651 1.00 0.00 C ATOM 1264 OG SER A 80 0.998 -7.692 9.813 1.00 0.00 O ATOM 0 H SER A 80 -0.188 -7.784 7.204 1.00 0.00 H new ATOM 0 HA SER A 80 1.019 -10.128 8.527 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.009 -8.141 9.608 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.074 -9.314 10.513 1.00 0.00 H new ATOM 0 HG SER A 80 0.721 -6.836 9.424 1.00 0.00 H new ATOM 1270 N GLN A 81 -1.654 -10.149 6.844 1.00 0.00 N ATOM 1271 CA GLN A 81 -2.875 -10.878 6.542 1.00 0.00 C ATOM 1272 C GLN A 81 -2.571 -11.964 5.595 1.00 0.00 C ATOM 1273 O GLN A 81 -2.983 -13.110 5.767 1.00 0.00 O ATOM 1274 CB GLN A 81 -3.951 -9.960 5.957 1.00 0.00 C ATOM 1275 CG GLN A 81 -5.242 -10.678 5.618 1.00 0.00 C ATOM 1276 CD GLN A 81 -6.308 -9.777 5.043 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -7.487 -10.024 5.225 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -5.919 -8.734 4.361 1.00 0.00 N ATOM 0 H GLN A 81 -1.300 -9.551 6.097 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.265 -11.292 7.472 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.164 -9.164 6.670 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.562 -9.485 5.056 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.028 -11.473 4.904 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.629 -11.154 6.519 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.924 -8.555 4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.610 -8.098 3.963 1.00 0.00 H new ATOM 1287 N ASP A 82 -1.839 -11.621 4.617 1.00 0.00 N ATOM 1288 CA ASP A 82 -1.451 -12.539 3.629 1.00 0.00 C ATOM 1289 C ASP A 82 0.078 -12.541 3.668 1.00 0.00 C ATOM 1290 O ASP A 82 0.643 -12.110 4.681 1.00 0.00 O ATOM 1291 CB ASP A 82 -2.079 -12.125 2.271 1.00 0.00 C ATOM 1292 CG ASP A 82 -2.020 -13.234 1.232 1.00 0.00 C ATOM 1293 OD1 ASP A 82 -0.929 -13.571 0.712 1.00 0.00 O ATOM 1294 OD2 ASP A 82 -3.071 -13.812 0.933 1.00 0.00 O ATOM 0 H ASP A 82 -1.484 -10.675 4.476 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.804 -13.558 3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.118 -11.837 2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.559 -11.247 1.888 1.00 0.00 H new ATOM 1299 N ARG A 83 0.754 -12.987 2.656 1.00 0.00 N ATOM 1300 CA ARG A 83 2.203 -13.075 2.721 1.00 0.00 C ATOM 1301 C ARG A 83 2.820 -11.716 2.460 1.00 0.00 C ATOM 1302 O ARG A 83 2.195 -10.845 1.861 1.00 0.00 O ATOM 1303 CB ARG A 83 2.749 -14.112 1.760 1.00 0.00 C ATOM 1304 CG ARG A 83 2.083 -15.460 1.867 1.00 0.00 C ATOM 1305 CD ARG A 83 2.212 -16.061 3.247 1.00 0.00 C ATOM 1306 NE ARG A 83 1.357 -17.241 3.388 1.00 0.00 N ATOM 1307 CZ ARG A 83 0.840 -17.671 4.545 1.00 0.00 C ATOM 1308 NH1 ARG A 83 1.211 -17.111 5.698 1.00 0.00 N ATOM 1309 NH2 ARG A 83 -0.038 -18.665 4.547 1.00 0.00 N ATOM 0 H ARG A 83 0.342 -13.297 1.776 1.00 0.00 H new ATOM 0 HA ARG A 83 2.474 -13.398 3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.636 -13.743 0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.818 -14.231 1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.027 -15.361 1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.523 -16.138 1.136 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.250 -16.336 3.432 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.940 -15.319 3.998 1.00 0.00 H new ATOM 0 HE ARG A 83 1.140 -17.773 2.545 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.892 -16.351 5.700 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.814 -17.443 6.577 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.318 -19.100 3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.433 -18.994 5.428 1.00 0.00 H new ATOM 1323 N CYS A 84 4.036 -11.545 2.876 1.00 0.00 N ATOM 1324 CA CYS A 84 4.659 -10.258 2.833 1.00 0.00 C ATOM 1325 C CYS A 84 6.110 -10.356 2.319 1.00 0.00 C ATOM 1326 O CYS A 84 6.803 -11.350 2.581 1.00 0.00 O ATOM 1327 CB CYS A 84 4.593 -9.692 4.244 1.00 0.00 C ATOM 1328 SG CYS A 84 5.416 -10.704 5.494 1.00 0.00 S ATOM 0 H CYS A 84 4.623 -12.289 3.253 1.00 0.00 H new ATOM 0 HA CYS A 84 4.143 -9.598 2.136 1.00 0.00 H new ATOM 0 HB2 CYS A 84 5.042 -8.699 4.245 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.547 -9.569 4.525 1.00 0.00 H new ATOM 0 HG CYS A 84 6.324 -11.441 4.926 1.00 0.00 H new ATOM 1334 N ALA A 85 6.562 -9.337 1.594 1.00 0.00 N ATOM 1335 CA ALA A 85 7.914 -9.328 1.022 1.00 0.00 C ATOM 1336 C ALA A 85 8.542 -7.903 0.834 1.00 0.00 C ATOM 1337 O ALA A 85 9.653 -7.661 1.322 1.00 0.00 O ATOM 1338 CB ALA A 85 8.006 -10.200 -0.244 1.00 0.00 C ATOM 0 H ALA A 85 6.014 -8.502 1.386 1.00 0.00 H new ATOM 0 HA ALA A 85 8.547 -9.789 1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.022 -10.166 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.747 -11.229 0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.314 -9.823 -0.997 1.00 0.00 H new ATOM 1344 N GLU A 86 7.870 -6.963 0.154 1.00 0.00 N ATOM 1345 CA GLU A 86 8.444 -5.633 -0.072 1.00 0.00 C ATOM 1346 C GLU A 86 7.358 -4.610 -0.253 1.00 0.00 C ATOM 1347 O GLU A 86 6.595 -4.698 -1.168 1.00 0.00 O ATOM 1348 CB GLU A 86 9.367 -5.619 -1.303 1.00 0.00 C ATOM 1349 CG GLU A 86 9.836 -4.219 -1.710 1.00 0.00 C ATOM 1350 CD GLU A 86 10.801 -4.229 -2.837 1.00 0.00 C ATOM 1351 OE1 GLU A 86 11.980 -4.583 -2.620 1.00 0.00 O ATOM 1352 OE2 GLU A 86 10.425 -3.845 -3.953 1.00 0.00 O ATOM 0 H GLU A 86 6.940 -7.098 -0.244 1.00 0.00 H new ATOM 0 HA GLU A 86 9.035 -5.383 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.240 -6.239 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.843 -6.075 -2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.969 -3.619 -1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.297 -3.733 -0.850 1.00 0.00 H new ATOM 1359 N VAL A 87 7.308 -3.642 0.601 1.00 0.00 N ATOM 1360 CA VAL A 87 6.320 -2.603 0.485 1.00 0.00 C ATOM 1361 C VAL A 87 7.018 -1.294 0.158 1.00 0.00 C ATOM 1362 O VAL A 87 7.633 -0.681 1.054 1.00 0.00 O ATOM 1363 CB VAL A 87 5.524 -2.433 1.812 1.00 0.00 C ATOM 1364 CG1 VAL A 87 4.439 -1.377 1.681 1.00 0.00 C ATOM 1365 CG2 VAL A 87 4.931 -3.751 2.255 1.00 0.00 C ATOM 0 H VAL A 87 7.941 -3.542 1.394 1.00 0.00 H new ATOM 0 HA VAL A 87 5.621 -2.877 -0.305 1.00 0.00 H new ATOM 0 HB VAL A 87 6.226 -2.095 2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.904 -1.286 2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.892 -0.419 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.741 -1.668 0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.379 -3.608 3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.255 -4.123 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.731 -4.474 2.416 1.00 0.00 H new ATOM 1375 N THR A 88 6.993 -0.862 -1.099 1.00 0.00 N ATOM 1376 CA THR A 88 7.609 0.389 -1.392 1.00 0.00 C ATOM 1377 C THR A 88 6.655 1.488 -1.707 1.00 0.00 C ATOM 1378 O THR A 88 5.716 1.371 -2.525 1.00 0.00 O ATOM 1379 CB THR A 88 8.792 0.360 -2.348 1.00 0.00 C ATOM 1380 OG1 THR A 88 8.493 -0.437 -3.512 1.00 0.00 O ATOM 1381 CG2 THR A 88 10.026 -0.150 -1.642 1.00 0.00 C ATOM 0 H THR A 88 6.568 -1.348 -1.888 1.00 0.00 H new ATOM 0 HA THR A 88 8.058 0.630 -0.428 1.00 0.00 H new ATOM 0 HB THR A 88 8.988 1.378 -2.685 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.543 -0.677 -3.509 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.864 -0.165 -2.339 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.263 0.506 -0.804 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.843 -1.159 -1.273 1.00 0.00 H new ATOM 1389 N LEU A 89 6.949 2.535 -1.065 1.00 0.00 N ATOM 1390 CA LEU A 89 6.231 3.737 -1.010 1.00 0.00 C ATOM 1391 C LEU A 89 6.705 4.634 -2.179 1.00 0.00 C ATOM 1392 O LEU A 89 7.772 4.412 -2.758 1.00 0.00 O ATOM 1393 CB LEU A 89 6.496 4.374 0.401 1.00 0.00 C ATOM 1394 CG LEU A 89 5.878 3.744 1.689 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.062 2.238 1.786 1.00 0.00 C ATOM 1396 CD2 LEU A 89 6.542 4.368 2.900 1.00 0.00 C ATOM 0 H LEU A 89 7.796 2.579 -0.498 1.00 0.00 H new ATOM 0 HA LEU A 89 5.156 3.598 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.576 4.400 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.156 5.408 0.355 1.00 0.00 H new ATOM 0 HG LEU A 89 4.807 3.941 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.606 1.874 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.586 1.757 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.126 2.001 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.120 3.938 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.614 4.172 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.370 5.444 2.895 1.00 0.00 H new ATOM 1408 N GLU A 90 5.906 5.537 -2.584 1.00 0.00 N ATOM 1409 CA GLU A 90 6.274 6.423 -3.673 1.00 0.00 C ATOM 1410 C GLU A 90 7.166 7.537 -3.126 1.00 0.00 C ATOM 1411 O GLU A 90 7.132 7.826 -1.920 1.00 0.00 O ATOM 1412 CB GLU A 90 5.006 7.013 -4.308 1.00 0.00 C ATOM 1413 CG GLU A 90 5.246 7.841 -5.557 1.00 0.00 C ATOM 1414 CD GLU A 90 6.037 7.080 -6.587 1.00 0.00 C ATOM 1415 OE1 GLU A 90 5.451 6.249 -7.315 1.00 0.00 O ATOM 1416 OE2 GLU A 90 7.280 7.263 -6.658 1.00 0.00 O ATOM 0 H GLU A 90 4.980 5.704 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 90 6.819 5.870 -4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.327 6.197 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.502 7.635 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.289 8.142 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.778 8.754 -5.291 1.00 0.00 H new ATOM 1423 N GLY A 91 7.985 8.117 -3.990 1.00 0.00 N ATOM 1424 CA GLY A 91 8.879 9.157 -3.561 1.00 0.00 C ATOM 1425 C GLY A 91 9.969 8.580 -2.669 1.00 0.00 C ATOM 1426 O GLY A 91 10.141 9.050 -1.535 1.00 0.00 O ATOM 0 H GLY A 91 8.042 7.882 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.328 9.641 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.324 9.923 -3.020 1.00 0.00 H new ATOM 1430 N GLN A 92 10.687 7.528 -3.136 1.00 0.00 N ATOM 1431 CA GLN A 92 11.673 6.899 -2.298 1.00 0.00 C ATOM 1432 C GLN A 92 12.830 7.821 -1.989 1.00 0.00 C ATOM 1433 O GLN A 92 13.688 8.095 -2.826 1.00 0.00 O ATOM 1434 CB GLN A 92 12.131 5.494 -2.814 1.00 0.00 C ATOM 1435 CG GLN A 92 12.570 5.388 -4.285 1.00 0.00 C ATOM 1436 CD GLN A 92 11.418 5.530 -5.265 1.00 0.00 C ATOM 1437 OE1 GLN A 92 11.094 6.627 -5.711 1.00 0.00 O ATOM 1438 NE2 GLN A 92 10.772 4.448 -5.577 1.00 0.00 N ATOM 0 H GLN A 92 10.588 7.124 -4.067 1.00 0.00 H new ATOM 0 HA GLN A 92 11.174 6.699 -1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.960 5.160 -2.190 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.311 4.793 -2.656 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.312 6.159 -4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.057 4.426 -4.444 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.064 3.550 -5.191 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.972 4.496 -6.208 1.00 0.00 H new ATOM 1447 N MET A 93 12.813 8.247 -0.747 1.00 0.00 N ATOM 1448 CA MET A 93 13.750 9.147 -0.083 1.00 0.00 C ATOM 1449 C MET A 93 13.399 9.063 1.391 1.00 0.00 C ATOM 1450 O MET A 93 13.580 10.009 2.158 1.00 0.00 O ATOM 1451 CB MET A 93 13.567 10.626 -0.543 1.00 0.00 C ATOM 1452 CG MET A 93 14.039 10.962 -1.951 1.00 0.00 C ATOM 1453 SD MET A 93 15.821 10.736 -2.167 1.00 0.00 S ATOM 1454 CE MET A 93 15.981 11.144 -3.906 1.00 0.00 C ATOM 0 H MET A 93 12.076 7.948 -0.109 1.00 0.00 H new ATOM 0 HA MET A 93 14.777 8.861 -0.312 1.00 0.00 H new ATOM 0 HB2 MET A 93 12.509 10.878 -0.468 1.00 0.00 H new ATOM 0 HB3 MET A 93 14.098 11.270 0.158 1.00 0.00 H new ATOM 0 HG2 MET A 93 13.509 10.334 -2.667 1.00 0.00 H new ATOM 0 HG3 MET A 93 13.778 11.995 -2.180 1.00 0.00 H new ATOM 0 HE1 MET A 93 17.025 11.055 -4.206 1.00 0.00 H new ATOM 0 HE2 MET A 93 15.374 10.459 -4.498 1.00 0.00 H new ATOM 0 HE3 MET A 93 15.642 12.166 -4.073 1.00 0.00 H new ATOM 1464 N TYR A 94 12.914 7.902 1.786 1.00 0.00 N ATOM 1465 CA TYR A 94 12.403 7.690 3.122 1.00 0.00 C ATOM 1466 C TYR A 94 13.289 6.748 3.947 1.00 0.00 C ATOM 1467 O TYR A 94 13.251 5.537 3.794 1.00 0.00 O ATOM 1468 CB TYR A 94 10.896 7.261 3.106 1.00 0.00 C ATOM 1469 CG TYR A 94 10.507 6.304 1.976 1.00 0.00 C ATOM 1470 CD1 TYR A 94 10.934 4.972 1.968 1.00 0.00 C ATOM 1471 CD2 TYR A 94 9.723 6.744 0.893 1.00 0.00 C ATOM 1472 CE1 TYR A 94 10.616 4.129 0.939 1.00 0.00 C ATOM 1473 CE2 TYR A 94 9.407 5.901 -0.120 1.00 0.00 C ATOM 1474 CZ TYR A 94 9.875 4.578 -0.090 1.00 0.00 C ATOM 1475 OH TYR A 94 9.577 3.702 -1.087 1.00 0.00 O ATOM 0 H TYR A 94 12.864 7.078 1.186 1.00 0.00 H new ATOM 0 HA TYR A 94 12.443 8.651 3.636 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.658 6.789 4.059 1.00 0.00 H new ATOM 0 HB3 TYR A 94 10.280 8.157 3.031 1.00 0.00 H new ATOM 0 HD1 TYR A 94 11.527 4.602 2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 94 9.370 7.764 0.869 1.00 0.00 H new ATOM 0 HE1 TYR A 94 10.959 3.105 0.953 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.800 6.245 -0.944 1.00 0.00 H new ATOM 0 HH TYR A 94 9.251 4.195 -1.869 1.00 0.00 H new ATOM 1485 N PRO A 95 14.121 7.315 4.826 1.00 0.00 N ATOM 1486 CA PRO A 95 15.018 6.553 5.704 1.00 0.00 C ATOM 1487 C PRO A 95 14.382 6.358 7.086 1.00 0.00 C ATOM 1488 O PRO A 95 15.068 6.164 8.112 1.00 0.00 O ATOM 1489 CB PRO A 95 16.195 7.506 5.802 1.00 0.00 C ATOM 1490 CG PRO A 95 15.569 8.862 5.829 1.00 0.00 C ATOM 1491 CD PRO A 95 14.294 8.768 5.033 1.00 0.00 C ATOM 0 HA PRO A 95 15.263 5.554 5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 95 16.783 7.321 6.701 1.00 0.00 H new ATOM 0 HB3 PRO A 95 16.869 7.395 4.952 1.00 0.00 H new ATOM 0 HG2 PRO A 95 15.363 9.173 6.853 1.00 0.00 H new ATOM 0 HG3 PRO A 95 16.239 9.606 5.399 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.451 9.199 5.573 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.372 9.302 4.086 1.00 0.00 H new ATOM 1499 N GLY A 96 13.083 6.392 7.087 1.00 0.00 N ATOM 1500 CA GLY A 96 12.310 6.347 8.279 1.00 0.00 C ATOM 1501 C GLY A 96 11.371 7.509 8.263 1.00 0.00 C ATOM 1502 O GLY A 96 10.152 7.335 8.202 1.00 0.00 O ATOM 0 H GLY A 96 12.524 6.453 6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.756 5.410 8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.957 6.392 9.155 1.00 0.00 H new ATOM 1506 N LYS A 97 11.949 8.689 8.270 1.00 0.00 N ATOM 1507 CA LYS A 97 11.225 9.931 8.176 1.00 0.00 C ATOM 1508 C LYS A 97 12.157 11.002 7.609 1.00 0.00 C ATOM 1509 O LYS A 97 12.106 11.270 6.393 1.00 0.00 O ATOM 1510 CB LYS A 97 10.669 10.353 9.540 1.00 0.00 C ATOM 1511 CG LYS A 97 9.835 11.625 9.501 1.00 0.00 C ATOM 1512 CD LYS A 97 9.331 12.059 10.884 1.00 0.00 C ATOM 1513 CE LYS A 97 10.455 12.513 11.835 1.00 0.00 C ATOM 1514 NZ LYS A 97 11.296 11.404 12.355 1.00 0.00 N ATOM 1515 OXT LYS A 97 13.007 11.536 8.373 1.00 0.00 O ATOM 0 H LYS A 97 12.959 8.812 8.343 1.00 0.00 H new ATOM 0 HA LYS A 97 10.372 9.801 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.059 9.543 9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.500 10.496 10.231 1.00 0.00 H new ATOM 0 HG2 LYS A 97 10.431 12.429 9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.981 11.472 8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.618 12.874 10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.792 11.230 11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.094 13.224 11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.011 13.044 12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.485 11.556 13.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.797 10.501 12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.196 11.378 11.835 1.00 0.00 H new TER 1529 LYS A 97