USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 762 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 88 CYS SG : rot -49:sc= 0.583 USER MOD Set 1.2: A 95 SER OG : rot -70:sc= 1.66 USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 90 ASN : amide:sc= -7.42! C(o=-7.4!,f=-17!) USER MOD Set 3.1: A 31 TYR OH : rot 180:sc= -3.83! USER MOD Set 3.2: A 36 ASN : amide:sc= -4.28! C(o=-8.1!,f=-10!) USER MOD Set 4.1: A 17 THR OG1 : rot 170:sc= 0 USER MOD Set 4.2: A 101 MET CE :methyl -113:sc= -1.04 (180deg=-1.91!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.71 K(o=-1.7,f=-4.7!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 153:sc= -3.44! (180deg=-4.45!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -143:sc= -0.0131 (180deg=-0.915) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.2!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 42 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-2.5) USER MOD Single : A 45 TYR OH : rot 118:sc= 0.0385 USER MOD Single : A 47 TYR OH : rot 180:sc= -1.28 USER MOD Single : A 48 TYR OH : rot 14:sc= 0.446 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 11:sc= -0.358 USER MOD Single : A 55 ASN : amide:sc= -0.939 K(o=-0.94,f=-3.2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 120:sc= -1.22 USER MOD Single : A 71 HIS : no HD1:sc= -0.0903 X(o=-0.09,f=-0.09) USER MOD Single : A 72 SER OG : rot 40:sc= 0.595 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.12) USER MOD Single : A 77 GLN : amide:sc= -2.17 K(o=-2.2,f=-5.9!) USER MOD Single : A 80 THR OG1 : rot 57:sc= 0.0368 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 177:sc= -6.01! USER MOD Single : A 85 LYS NZ :NH3+ -115:sc= 0.0215 (180deg=-0.388!) USER MOD Single : A 86 MET CE :methyl -146:sc= -0.602 (180deg=-3.95!) USER MOD Single : A 87 GLN : amide:sc= -4.93 K(o=-4.9,f=-15!) USER MOD Single : A 98 SER OG : rot 95:sc= 0.642 USER MOD Single : A 99 ASN : amide:sc= -2.7! C(o=-2.7!,f=-3.6!) USER MOD Single : A 103 CYS SG : rot 170:sc= -0.331 USER MOD Single : A 105 THR OG1 : rot 158:sc= 2.24 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 11.535 11.950 -5.154 1.00 0.00 N ATOM 67 CA PRO A 8 11.866 10.920 -4.165 1.00 0.00 C ATOM 68 C PRO A 8 12.150 9.567 -4.809 1.00 0.00 C ATOM 69 O PRO A 8 11.607 9.246 -5.866 1.00 0.00 O ATOM 70 CB PRO A 8 10.607 10.845 -3.297 1.00 0.00 C ATOM 71 CG PRO A 8 9.507 11.319 -4.183 1.00 0.00 C ATOM 72 CD PRO A 8 10.120 12.351 -5.088 1.00 0.00 C ATOM 0 HA PRO A 8 12.771 11.165 -3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.425 9.828 -2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.699 11.472 -2.410 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.087 10.494 -4.759 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.692 11.747 -3.599 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.655 12.348 -6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.006 13.357 -4.685 1.00 0.00 H new ATOM 80 N VAL A 9 13.003 8.778 -4.165 1.00 0.00 N ATOM 81 CA VAL A 9 13.357 7.458 -4.674 1.00 0.00 C ATOM 82 C VAL A 9 13.276 6.405 -3.575 1.00 0.00 C ATOM 83 O VAL A 9 12.845 5.277 -3.813 1.00 0.00 O ATOM 84 CB VAL A 9 14.776 7.451 -5.273 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.815 8.254 -6.565 1.00 0.00 C ATOM 86 CG2 VAL A 9 15.781 7.993 -4.269 1.00 0.00 C ATOM 0 H VAL A 9 13.462 9.029 -3.290 1.00 0.00 H new ATOM 0 HA VAL A 9 12.638 7.217 -5.457 1.00 0.00 H new ATOM 0 HB VAL A 9 15.048 6.421 -5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.826 8.238 -6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.125 7.816 -7.286 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.522 9.284 -6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.778 7.981 -4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.514 9.016 -4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.772 7.372 -3.374 1.00 0.00 H new ATOM 96 N ALA A 10 13.693 6.781 -2.371 1.00 0.00 N ATOM 97 CA ALA A 10 13.666 5.869 -1.234 1.00 0.00 C ATOM 98 C ALA A 10 12.292 5.224 -1.081 1.00 0.00 C ATOM 99 O ALA A 10 12.181 4.068 -0.676 1.00 0.00 O ATOM 100 CB ALA A 10 14.050 6.604 0.042 1.00 0.00 C ATOM 0 H ALA A 10 14.054 7.711 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 10 14.393 5.078 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.026 5.911 0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.055 7.013 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.345 7.416 0.221 1.00 0.00 H new ATOM 106 N GLY A 11 11.248 5.980 -1.407 1.00 0.00 N ATOM 107 CA GLY A 11 9.896 5.464 -1.299 1.00 0.00 C ATOM 108 C GLY A 11 9.558 5.015 0.109 1.00 0.00 C ATOM 109 O GLY A 11 10.439 4.736 0.923 1.00 0.00 O ATOM 0 H GLY A 11 11.314 6.940 -1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.190 6.234 -1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.775 4.625 -1.984 1.00 0.00 H new ATOM 113 N PRO A 12 8.254 4.942 0.414 1.00 0.00 N ATOM 114 CA PRO A 12 7.772 4.525 1.734 1.00 0.00 C ATOM 115 C PRO A 12 8.019 3.044 2.000 1.00 0.00 C ATOM 116 O PRO A 12 8.187 2.255 1.070 1.00 0.00 O ATOM 117 CB PRO A 12 6.271 4.814 1.672 1.00 0.00 C ATOM 118 CG PRO A 12 5.934 4.756 0.221 1.00 0.00 C ATOM 119 CD PRO A 12 7.150 5.259 -0.507 1.00 0.00 C ATOM 0 HA PRO A 12 8.287 5.048 2.540 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.702 4.078 2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.038 5.792 2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.691 3.738 -0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.063 5.372 -0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.275 4.764 -1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.086 6.329 -0.705 1.00 0.00 H new ATOM 127 N TYR A 13 8.038 2.672 3.275 1.00 0.00 N ATOM 128 CA TYR A 13 8.266 1.285 3.664 1.00 0.00 C ATOM 129 C TYR A 13 7.192 0.809 4.638 1.00 0.00 C ATOM 130 O TYR A 13 6.983 1.411 5.691 1.00 0.00 O ATOM 131 CB TYR A 13 9.650 1.131 4.297 1.00 0.00 C ATOM 132 CG TYR A 13 9.843 -0.184 5.018 1.00 0.00 C ATOM 133 CD1 TYR A 13 9.190 -1.334 4.592 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.677 -0.276 6.126 1.00 0.00 C ATOM 135 CE1 TYR A 13 9.363 -2.538 5.248 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.856 -1.475 6.787 1.00 0.00 C ATOM 137 CZ TYR A 13 10.198 -2.603 6.344 1.00 0.00 C ATOM 138 OH TYR A 13 10.373 -3.800 7.001 1.00 0.00 O ATOM 0 H TYR A 13 7.898 3.312 4.057 1.00 0.00 H new ATOM 0 HA TYR A 13 8.215 0.669 2.766 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.408 1.224 3.520 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.812 1.948 5.000 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.536 -1.286 3.734 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.194 0.605 6.476 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.848 -3.423 4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.508 -1.529 7.646 1.00 0.00 H new ATOM 0 HH TYR A 13 10.993 -3.675 7.750 1.00 0.00 H new ATOM 148 N ILE A 14 6.516 -0.277 4.277 1.00 0.00 N ATOM 149 CA ILE A 14 5.466 -0.836 5.119 1.00 0.00 C ATOM 150 C ILE A 14 6.055 -1.607 6.295 1.00 0.00 C ATOM 151 O ILE A 14 6.620 -2.688 6.124 1.00 0.00 O ATOM 152 CB ILE A 14 4.541 -1.772 4.318 1.00 0.00 C ATOM 153 CG1 ILE A 14 3.976 -1.044 3.097 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.415 -2.288 5.202 1.00 0.00 C ATOM 155 CD1 ILE A 14 3.540 -1.974 1.987 1.00 0.00 C ATOM 0 H ILE A 14 6.677 -0.786 3.408 1.00 0.00 H new ATOM 0 HA ILE A 14 4.883 0.005 5.495 1.00 0.00 H new ATOM 0 HB ILE A 14 5.124 -2.625 3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.125 -0.438 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.731 -0.359 2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.770 -2.948 4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.836 -2.839 6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.831 -1.447 5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.150 -1.389 1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.393 -2.562 1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.762 -2.642 2.357 1.00 0.00 H new ATOM 167 N THR A 15 5.920 -1.045 7.492 1.00 0.00 N ATOM 168 CA THR A 15 6.439 -1.679 8.698 1.00 0.00 C ATOM 169 C THR A 15 5.309 -2.246 9.550 1.00 0.00 C ATOM 170 O THR A 15 5.533 -2.701 10.671 1.00 0.00 O ATOM 171 CB THR A 15 7.258 -0.687 9.546 1.00 0.00 C ATOM 172 OG1 THR A 15 6.379 0.196 10.252 1.00 0.00 O ATOM 173 CG2 THR A 15 8.203 0.122 8.670 1.00 0.00 C ATOM 0 H THR A 15 5.455 -0.151 7.652 1.00 0.00 H new ATOM 0 HA THR A 15 7.089 -2.492 8.374 1.00 0.00 H new ATOM 0 HB THR A 15 7.850 -1.257 10.262 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.907 0.822 10.790 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.771 0.815 9.291 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.890 -0.551 8.157 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.627 0.682 7.934 1.00 0.00 H new ATOM 181 N PHE A 16 4.095 -2.217 9.010 1.00 0.00 N ATOM 182 CA PHE A 16 2.930 -2.729 9.722 1.00 0.00 C ATOM 183 C PHE A 16 1.829 -3.132 8.744 1.00 0.00 C ATOM 184 O PHE A 16 1.454 -2.361 7.861 1.00 0.00 O ATOM 185 CB PHE A 16 2.399 -1.677 10.698 1.00 0.00 C ATOM 186 CG PHE A 16 1.447 -2.232 11.719 1.00 0.00 C ATOM 187 CD1 PHE A 16 1.920 -2.914 12.828 1.00 0.00 C ATOM 188 CD2 PHE A 16 0.079 -2.072 11.568 1.00 0.00 C ATOM 189 CE1 PHE A 16 1.047 -3.426 13.769 1.00 0.00 C ATOM 190 CE2 PHE A 16 -0.799 -2.582 12.506 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.314 -3.260 13.608 1.00 0.00 C ATOM 0 H PHE A 16 3.893 -1.845 8.082 1.00 0.00 H new ATOM 0 HA PHE A 16 3.237 -3.612 10.282 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.240 -1.213 11.212 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.897 -0.891 10.134 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.984 -3.047 12.959 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.305 -1.543 10.708 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.429 -3.955 14.629 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.863 -2.451 12.378 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.998 -3.659 14.342 1.00 0.00 H new ATOM 201 N THR A 17 1.317 -4.348 8.909 1.00 0.00 N ATOM 202 CA THR A 17 0.261 -4.856 8.041 1.00 0.00 C ATOM 203 C THR A 17 -0.741 -5.693 8.828 1.00 0.00 C ATOM 204 O THR A 17 -0.409 -6.766 9.331 1.00 0.00 O ATOM 205 CB THR A 17 0.838 -5.709 6.896 1.00 0.00 C ATOM 206 OG1 THR A 17 2.041 -6.356 7.324 1.00 0.00 O ATOM 207 CG2 THR A 17 1.127 -4.850 5.674 1.00 0.00 C ATOM 0 H THR A 17 1.616 -4.999 9.635 1.00 0.00 H new ATOM 0 HA THR A 17 -0.246 -3.989 7.618 1.00 0.00 H new ATOM 0 HB THR A 17 0.097 -6.462 6.626 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.313 -7.017 6.654 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.534 -5.474 4.878 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.204 -4.382 5.332 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.851 -4.078 5.935 1.00 0.00 H new ATOM 215 N ASP A 18 -1.969 -5.196 8.929 1.00 0.00 N ATOM 216 CA ASP A 18 -3.021 -5.899 9.653 1.00 0.00 C ATOM 217 C ASP A 18 -4.333 -5.865 8.874 1.00 0.00 C ATOM 218 O ASP A 18 -4.559 -4.971 8.060 1.00 0.00 O ATOM 219 CB ASP A 18 -3.219 -5.279 11.037 1.00 0.00 C ATOM 220 CG ASP A 18 -4.011 -6.179 11.966 1.00 0.00 C ATOM 221 OD1 ASP A 18 -3.477 -7.234 12.367 1.00 0.00 O ATOM 222 OD2 ASP A 18 -5.164 -5.828 12.293 1.00 0.00 O ATOM 0 H ASP A 18 -2.260 -4.309 8.518 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.715 -6.939 9.770 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.246 -5.070 11.481 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.734 -4.324 10.934 1.00 0.00 H new ATOM 227 N ALA A 19 -5.192 -6.846 9.130 1.00 0.00 N ATOM 228 CA ALA A 19 -6.481 -6.928 8.454 1.00 0.00 C ATOM 229 C ALA A 19 -7.594 -6.354 9.323 1.00 0.00 C ATOM 230 O ALA A 19 -8.005 -6.968 10.308 1.00 0.00 O ATOM 231 CB ALA A 19 -6.790 -8.370 8.080 1.00 0.00 C ATOM 0 H ALA A 19 -5.019 -7.595 9.800 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.424 -6.333 7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.755 -8.416 7.576 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.014 -8.747 7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.822 -8.981 8.982 1.00 0.00 H new ATOM 237 N VAL A 20 -8.079 -5.173 8.953 1.00 0.00 N ATOM 238 CA VAL A 20 -9.146 -4.517 9.700 1.00 0.00 C ATOM 239 C VAL A 20 -10.432 -5.334 9.655 1.00 0.00 C ATOM 240 O VAL A 20 -11.225 -5.315 10.595 1.00 0.00 O ATOM 241 CB VAL A 20 -9.428 -3.105 9.151 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.457 -2.393 10.015 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.141 -2.299 9.066 1.00 0.00 C ATOM 0 H VAL A 20 -7.750 -4.651 8.141 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.807 -4.437 10.733 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.836 -3.200 8.145 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.644 -1.397 9.612 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.386 -2.963 10.019 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.080 -2.307 11.034 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.359 -1.305 8.676 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.701 -2.211 10.059 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.439 -2.803 8.401 1.00 0.00 H new ATOM 253 N ASN A 21 -10.631 -6.053 8.555 1.00 0.00 N ATOM 254 CA ASN A 21 -11.821 -6.879 8.387 1.00 0.00 C ATOM 255 C ASN A 21 -11.620 -7.903 7.274 1.00 0.00 C ATOM 256 O ASN A 21 -10.543 -7.993 6.687 1.00 0.00 O ATOM 257 CB ASN A 21 -13.036 -6.002 8.075 1.00 0.00 C ATOM 258 CG ASN A 21 -13.751 -5.537 9.329 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.566 -6.101 10.407 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.573 -4.503 9.192 1.00 0.00 N ATOM 0 H ASN A 21 -9.984 -6.080 7.767 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.997 -7.413 9.321 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.716 -5.133 7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.732 -6.560 7.449 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.082 -4.145 10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.695 -4.066 8.278 1.00 0.00 H new ATOM 267 N GLU A 22 -12.666 -8.673 6.990 1.00 0.00 N ATOM 268 CA GLU A 22 -12.604 -9.691 5.948 1.00 0.00 C ATOM 269 C GLU A 22 -12.539 -9.051 4.565 1.00 0.00 C ATOM 270 O GLU A 22 -12.125 -9.684 3.593 1.00 0.00 O ATOM 271 CB GLU A 22 -13.818 -10.619 6.037 1.00 0.00 C ATOM 272 CG GLU A 22 -15.064 -10.055 5.376 1.00 0.00 C ATOM 273 CD GLU A 22 -16.339 -10.681 5.906 1.00 0.00 C ATOM 274 OE1 GLU A 22 -16.427 -10.899 7.132 1.00 0.00 O ATOM 275 OE2 GLU A 22 -17.249 -10.953 5.095 1.00 0.00 O ATOM 0 H GLU A 22 -13.566 -8.611 7.467 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.697 -10.276 6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.570 -11.573 5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.034 -10.822 7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.099 -8.977 5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.005 -10.216 4.300 1.00 0.00 H new ATOM 282 N THR A 23 -12.953 -7.790 4.483 1.00 0.00 N ATOM 283 CA THR A 23 -12.945 -7.063 3.220 1.00 0.00 C ATOM 284 C THR A 23 -12.200 -5.740 3.352 1.00 0.00 C ATOM 285 O THR A 23 -12.264 -4.888 2.465 1.00 0.00 O ATOM 286 CB THR A 23 -14.376 -6.786 2.722 1.00 0.00 C ATOM 287 OG1 THR A 23 -15.181 -6.290 3.796 1.00 0.00 O ATOM 288 CG2 THR A 23 -15.004 -8.049 2.151 1.00 0.00 C ATOM 0 H THR A 23 -13.298 -7.251 5.277 1.00 0.00 H new ATOM 0 HA THR A 23 -12.432 -7.695 2.495 1.00 0.00 H new ATOM 0 HB THR A 23 -14.324 -6.036 1.932 1.00 0.00 H new ATOM 0 HG1 THR A 23 -16.089 -6.115 3.471 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.014 -7.829 1.806 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.404 -8.407 1.314 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.044 -8.817 2.924 1.00 0.00 H new ATOM 296 N THR A 24 -11.492 -5.573 4.465 1.00 0.00 N ATOM 297 CA THR A 24 -10.735 -4.352 4.713 1.00 0.00 C ATOM 298 C THR A 24 -9.369 -4.665 5.314 1.00 0.00 C ATOM 299 O THR A 24 -9.229 -5.595 6.110 1.00 0.00 O ATOM 300 CB THR A 24 -11.494 -3.403 5.659 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.882 -3.370 5.309 1.00 0.00 O ATOM 302 CG2 THR A 24 -10.915 -1.997 5.594 1.00 0.00 C ATOM 0 H THR A 24 -11.427 -6.268 5.209 1.00 0.00 H new ATOM 0 HA THR A 24 -10.601 -3.861 3.749 1.00 0.00 H new ATOM 0 HB THR A 24 -11.385 -3.776 6.677 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.358 -2.766 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.467 -1.345 6.270 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.866 -2.022 5.889 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.997 -1.617 4.576 1.00 0.00 H new ATOM 310 N ILE A 25 -8.366 -3.884 4.930 1.00 0.00 N ATOM 311 CA ILE A 25 -7.011 -4.078 5.433 1.00 0.00 C ATOM 312 C ILE A 25 -6.352 -2.743 5.763 1.00 0.00 C ATOM 313 O ILE A 25 -6.480 -1.774 5.015 1.00 0.00 O ATOM 314 CB ILE A 25 -6.136 -4.833 4.416 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.504 -6.318 4.397 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.662 -4.651 4.748 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.754 -7.113 3.351 1.00 0.00 C ATOM 0 H ILE A 25 -8.465 -3.111 4.272 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.093 -4.674 6.342 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.319 -4.420 3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.304 -6.746 5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.575 -6.416 4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.056 -5.191 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.410 -3.591 4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.463 -5.041 5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.065 -8.157 3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.973 -6.711 2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.683 -7.045 3.541 1.00 0.00 H new ATOM 329 N MET A 26 -5.644 -2.701 6.887 1.00 0.00 N ATOM 330 CA MET A 26 -4.960 -1.486 7.314 1.00 0.00 C ATOM 331 C MET A 26 -3.448 -1.687 7.324 1.00 0.00 C ATOM 332 O MET A 26 -2.938 -2.600 7.973 1.00 0.00 O ATOM 333 CB MET A 26 -5.440 -1.068 8.705 1.00 0.00 C ATOM 334 CG MET A 26 -4.505 -0.094 9.404 1.00 0.00 C ATOM 335 SD MET A 26 -5.359 0.959 10.592 1.00 0.00 S ATOM 336 CE MET A 26 -5.040 2.580 9.898 1.00 0.00 C ATOM 0 H MET A 26 -5.529 -3.494 7.518 1.00 0.00 H new ATOM 0 HA MET A 26 -5.198 -0.696 6.602 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.427 -0.613 8.618 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.553 -1.958 9.324 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.722 -0.653 9.917 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.014 0.531 8.658 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.839 3.263 10.187 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.088 2.956 10.273 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.999 2.509 8.811 1.00 0.00 H new ATOM 346 N LEU A 27 -2.737 -0.829 6.601 1.00 0.00 N ATOM 347 CA LEU A 27 -1.283 -0.913 6.526 1.00 0.00 C ATOM 348 C LEU A 27 -0.647 0.456 6.744 1.00 0.00 C ATOM 349 O LEU A 27 -1.132 1.467 6.234 1.00 0.00 O ATOM 350 CB LEU A 27 -0.854 -1.478 5.171 1.00 0.00 C ATOM 351 CG LEU A 27 -0.748 -0.469 4.026 1.00 0.00 C ATOM 352 CD1 LEU A 27 0.212 -0.971 2.959 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.121 -0.198 3.427 1.00 0.00 C ATOM 0 H LEU A 27 -3.144 -0.067 6.058 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.941 -1.582 7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.115 -1.963 5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.564 -2.253 4.882 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.356 0.466 4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.274 -0.240 2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.200 -1.114 3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.149 -1.920 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.028 0.522 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.540 -1.128 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.780 0.206 4.195 1.00 0.00 H new ATOM 365 N LYS A 28 0.444 0.482 7.502 1.00 0.00 N ATOM 366 CA LYS A 28 1.150 1.726 7.785 1.00 0.00 C ATOM 367 C LYS A 28 2.548 1.709 7.174 1.00 0.00 C ATOM 368 O LYS A 28 3.267 0.716 7.275 1.00 0.00 O ATOM 369 CB LYS A 28 1.245 1.950 9.296 1.00 0.00 C ATOM 370 CG LYS A 28 -0.101 2.168 9.964 1.00 0.00 C ATOM 371 CD LYS A 28 -0.090 1.697 11.409 1.00 0.00 C ATOM 372 CE LYS A 28 -1.310 2.196 12.168 1.00 0.00 C ATOM 373 NZ LYS A 28 -1.255 1.827 13.609 1.00 0.00 N ATOM 0 H LYS A 28 0.859 -0.345 7.932 1.00 0.00 H new ATOM 0 HA LYS A 28 0.587 2.545 7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.733 1.089 9.753 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.881 2.815 9.487 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.359 3.226 9.927 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.873 1.632 9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.063 0.608 11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.816 2.051 11.901 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.379 3.280 12.073 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.212 1.779 11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.104 2.185 14.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.215 0.792 13.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.408 2.246 14.043 1.00 0.00 H new ATOM 387 N TRP A 29 2.925 2.815 6.543 1.00 0.00 N ATOM 388 CA TRP A 29 4.238 2.927 5.917 1.00 0.00 C ATOM 389 C TRP A 29 5.073 4.008 6.594 1.00 0.00 C ATOM 390 O TRP A 29 4.536 4.900 7.249 1.00 0.00 O ATOM 391 CB TRP A 29 4.091 3.238 4.427 1.00 0.00 C ATOM 392 CG TRP A 29 3.262 4.456 4.153 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.686 5.754 4.158 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.865 4.489 3.837 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.638 6.592 3.863 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.510 5.841 3.661 1.00 0.00 C ATOM 397 CE3 TRP A 29 0.882 3.509 3.683 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.213 6.234 3.341 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.405 3.900 3.365 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.730 5.253 3.197 1.00 0.00 C ATOM 0 H TRP A 29 2.341 3.646 6.451 1.00 0.00 H new ATOM 0 HA TRP A 29 4.750 1.972 6.033 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.081 3.376 3.993 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.640 2.381 3.927 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.697 6.075 4.364 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.691 7.609 3.804 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.123 2.464 3.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.040 7.276 3.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.173 3.150 3.244 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.745 5.527 2.949 1.00 0.00 H new ATOM 411 N MET A 30 6.390 3.921 6.431 1.00 0.00 N ATOM 412 CA MET A 30 7.298 4.894 7.026 1.00 0.00 C ATOM 413 C MET A 30 8.032 5.684 5.947 1.00 0.00 C ATOM 414 O MET A 30 7.975 5.340 4.766 1.00 0.00 O ATOM 415 CB MET A 30 8.308 4.191 7.936 1.00 0.00 C ATOM 416 CG MET A 30 9.294 3.312 7.183 1.00 0.00 C ATOM 417 SD MET A 30 10.663 2.761 8.219 1.00 0.00 S ATOM 418 CE MET A 30 11.729 4.200 8.165 1.00 0.00 C ATOM 0 H MET A 30 6.851 3.187 5.893 1.00 0.00 H new ATOM 0 HA MET A 30 6.706 5.590 7.621 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.861 4.942 8.501 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.769 3.580 8.660 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.770 2.442 6.786 1.00 0.00 H new ATOM 0 HG3 MET A 30 9.688 3.863 6.329 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.771 3.880 8.140 1.00 0.00 H new ATOM 0 HE2 MET A 30 11.507 4.784 7.272 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.558 4.813 9.050 1.00 0.00 H new ATOM 428 N TYR A 31 8.720 6.743 6.360 1.00 0.00 N ATOM 429 CA TYR A 31 9.462 7.583 5.428 1.00 0.00 C ATOM 430 C TYR A 31 10.872 7.854 5.943 1.00 0.00 C ATOM 431 O TYR A 31 11.060 8.243 7.096 1.00 0.00 O ATOM 432 CB TYR A 31 8.727 8.905 5.203 1.00 0.00 C ATOM 433 CG TYR A 31 9.448 9.847 4.266 1.00 0.00 C ATOM 434 CD1 TYR A 31 10.392 10.747 4.744 1.00 0.00 C ATOM 435 CD2 TYR A 31 9.185 9.837 2.901 1.00 0.00 C ATOM 436 CE1 TYR A 31 11.053 11.610 3.892 1.00 0.00 C ATOM 437 CE2 TYR A 31 9.842 10.696 2.041 1.00 0.00 C ATOM 438 CZ TYR A 31 10.775 11.581 2.541 1.00 0.00 C ATOM 439 OH TYR A 31 11.432 12.438 1.688 1.00 0.00 O ATOM 0 H TYR A 31 8.779 7.040 7.334 1.00 0.00 H new ATOM 0 HA TYR A 31 9.537 7.051 4.480 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.735 8.696 4.802 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.585 9.400 6.164 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.613 10.772 5.801 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.455 9.146 2.506 1.00 0.00 H new ATOM 0 HE1 TYR A 31 11.783 12.304 4.281 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.626 10.675 0.983 1.00 0.00 H new ATOM 0 HH TYR A 31 11.121 12.289 0.771 1.00 0.00 H new ATOM 449 N ILE A 32 11.861 7.646 5.079 1.00 0.00 N ATOM 450 CA ILE A 32 13.254 7.870 5.446 1.00 0.00 C ATOM 451 C ILE A 32 13.712 9.267 5.041 1.00 0.00 C ATOM 452 O ILE A 32 13.553 9.691 3.896 1.00 0.00 O ATOM 453 CB ILE A 32 14.181 6.828 4.792 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.807 5.418 5.254 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.635 7.131 5.124 1.00 0.00 C ATOM 456 CD1 ILE A 32 12.673 4.804 4.463 1.00 0.00 C ATOM 0 H ILE A 32 11.723 7.323 4.121 1.00 0.00 H new ATOM 0 HA ILE A 32 13.315 7.771 6.530 1.00 0.00 H new ATOM 0 HB ILE A 32 14.056 6.881 3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.683 4.775 5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.528 5.451 6.307 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.278 6.386 4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.895 8.122 4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.775 7.102 6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.462 3.805 4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.783 5.426 4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.956 4.738 3.412 1.00 0.00 H new ATOM 468 N PRO A 33 14.295 10.000 6.000 1.00 0.00 N ATOM 469 CA PRO A 33 14.790 11.359 5.767 1.00 0.00 C ATOM 470 C PRO A 33 16.020 11.381 4.866 1.00 0.00 C ATOM 471 O PRO A 33 16.179 12.278 4.038 1.00 0.00 O ATOM 472 CB PRO A 33 15.147 11.853 7.172 1.00 0.00 C ATOM 473 CG PRO A 33 15.428 10.613 7.949 1.00 0.00 C ATOM 474 CD PRO A 33 14.516 9.557 7.387 1.00 0.00 C ATOM 0 HA PRO A 33 14.053 11.979 5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 33 16.015 12.512 7.151 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.327 12.419 7.613 1.00 0.00 H new ATOM 0 HG2 PRO A 33 16.473 10.319 7.850 1.00 0.00 H new ATOM 0 HG3 PRO A 33 15.239 10.767 9.011 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.974 8.569 7.425 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.581 9.496 7.943 1.00 0.00 H new ATOM 482 N ALA A 34 16.888 10.389 5.033 1.00 0.00 N ATOM 483 CA ALA A 34 18.103 10.294 4.233 1.00 0.00 C ATOM 484 C ALA A 34 17.869 10.807 2.816 1.00 0.00 C ATOM 485 O ALA A 34 18.300 11.905 2.464 1.00 0.00 O ATOM 486 CB ALA A 34 18.602 8.857 4.200 1.00 0.00 C ATOM 0 H ALA A 34 16.773 9.640 5.715 1.00 0.00 H new ATOM 0 HA ALA A 34 18.864 10.921 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.510 8.801 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.817 8.523 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.837 8.216 3.762 1.00 0.00 H new ATOM 492 N SER A 35 17.184 10.005 2.007 1.00 0.00 N ATOM 493 CA SER A 35 16.896 10.377 0.627 1.00 0.00 C ATOM 494 C SER A 35 15.592 11.164 0.536 1.00 0.00 C ATOM 495 O SER A 35 14.686 10.801 -0.213 1.00 0.00 O ATOM 496 CB SER A 35 16.813 9.128 -0.253 1.00 0.00 C ATOM 497 OG SER A 35 18.086 8.785 -0.773 1.00 0.00 O ATOM 0 H SER A 35 16.818 9.094 2.283 1.00 0.00 H new ATOM 0 HA SER A 35 17.708 11.011 0.271 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.418 8.295 0.329 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.117 9.303 -1.073 1.00 0.00 H new ATOM 0 HG SER A 35 18.006 7.983 -1.330 1.00 0.00 H new ATOM 503 N ASN A 36 15.506 12.244 1.306 1.00 0.00 N ATOM 504 CA ASN A 36 14.314 13.084 1.314 1.00 0.00 C ATOM 505 C ASN A 36 14.566 14.395 0.575 1.00 0.00 C ATOM 506 O ASN A 36 13.701 14.888 -0.148 1.00 0.00 O ATOM 507 CB ASN A 36 13.877 13.372 2.752 1.00 0.00 C ATOM 508 CG ASN A 36 12.777 14.413 2.825 1.00 0.00 C ATOM 509 OD1 ASN A 36 12.266 14.865 1.800 1.00 0.00 O ATOM 510 ND2 ASN A 36 12.406 14.798 4.040 1.00 0.00 N ATOM 0 H ASN A 36 16.247 12.558 1.932 1.00 0.00 H new ATOM 0 HA ASN A 36 13.518 12.546 0.800 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.530 12.448 3.215 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.736 13.715 3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.670 15.495 4.151 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.857 14.397 4.862 1.00 0.00 H new ATOM 517 N ASN A 37 15.757 14.953 0.762 1.00 0.00 N ATOM 518 CA ASN A 37 16.124 16.207 0.113 1.00 0.00 C ATOM 519 C ASN A 37 15.059 17.273 0.350 1.00 0.00 C ATOM 520 O ASN A 37 14.920 18.210 -0.435 1.00 0.00 O ATOM 521 CB ASN A 37 16.320 15.990 -1.388 1.00 0.00 C ATOM 522 CG ASN A 37 17.336 16.946 -1.983 1.00 0.00 C ATOM 523 OD1 ASN A 37 17.993 17.698 -1.263 1.00 0.00 O ATOM 524 ND2 ASN A 37 17.468 16.922 -3.304 1.00 0.00 N ATOM 0 H ASN A 37 16.485 14.557 1.357 1.00 0.00 H new ATOM 0 HA ASN A 37 17.062 16.552 0.548 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.643 14.964 -1.565 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.365 16.115 -1.898 1.00 0.00 H new ATOM 0 HD21 ASN A 37 18.135 17.544 -3.761 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.902 16.282 -3.862 1.00 0.00 H new ATOM 531 N ASN A 38 14.311 17.124 1.438 1.00 0.00 N ATOM 532 CA ASN A 38 13.258 18.074 1.778 1.00 0.00 C ATOM 533 C ASN A 38 12.330 18.306 0.590 1.00 0.00 C ATOM 534 O ASN A 38 11.756 19.385 0.437 1.00 0.00 O ATOM 535 CB ASN A 38 13.868 19.402 2.230 1.00 0.00 C ATOM 536 CG ASN A 38 14.837 19.231 3.384 1.00 0.00 C ATOM 537 OD1 ASN A 38 14.665 18.351 4.228 1.00 0.00 O ATOM 538 ND2 ASN A 38 15.863 20.073 3.425 1.00 0.00 N ATOM 0 H ASN A 38 14.414 16.354 2.099 1.00 0.00 H new ATOM 0 HA ASN A 38 12.673 17.653 2.596 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.386 19.865 1.390 1.00 0.00 H new ATOM 0 HB3 ASN A 38 13.070 20.083 2.527 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.548 20.006 4.178 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.966 20.787 2.704 1.00 0.00 H new ATOM 545 N THR A 39 12.185 17.285 -0.249 1.00 0.00 N ATOM 546 CA THR A 39 11.328 17.377 -1.424 1.00 0.00 C ATOM 547 C THR A 39 9.883 17.035 -1.078 1.00 0.00 C ATOM 548 O THR A 39 9.592 16.004 -0.472 1.00 0.00 O ATOM 549 CB THR A 39 11.810 16.440 -2.547 1.00 0.00 C ATOM 550 OG1 THR A 39 11.332 16.906 -3.814 1.00 0.00 O ATOM 551 CG2 THR A 39 11.327 15.017 -2.310 1.00 0.00 C ATOM 0 H THR A 39 12.650 16.384 -0.136 1.00 0.00 H new ATOM 0 HA THR A 39 11.382 18.408 -1.774 1.00 0.00 H new ATOM 0 HB THR A 39 12.900 16.442 -2.547 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.644 16.305 -4.523 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.680 14.374 -3.116 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.717 14.654 -1.359 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.237 15.002 -2.285 1.00 0.00 H new ATOM 559 N PRO A 40 8.954 17.919 -1.472 1.00 0.00 N ATOM 560 CA PRO A 40 7.523 17.731 -1.215 1.00 0.00 C ATOM 561 C PRO A 40 6.931 16.593 -2.039 1.00 0.00 C ATOM 562 O PRO A 40 7.208 16.468 -3.233 1.00 0.00 O ATOM 563 CB PRO A 40 6.909 19.069 -1.633 1.00 0.00 C ATOM 564 CG PRO A 40 7.864 19.630 -2.630 1.00 0.00 C ATOM 565 CD PRO A 40 9.229 19.169 -2.199 1.00 0.00 C ATOM 0 HA PRO A 40 7.327 17.462 -0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.919 18.932 -2.067 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.792 19.735 -0.778 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.632 19.277 -3.635 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.809 20.718 -2.654 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.885 19.001 -3.053 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.719 19.905 -1.561 1.00 0.00 H new ATOM 573 N ILE A 41 6.114 15.765 -1.396 1.00 0.00 N ATOM 574 CA ILE A 41 5.482 14.638 -2.071 1.00 0.00 C ATOM 575 C ILE A 41 4.032 14.951 -2.422 1.00 0.00 C ATOM 576 O ILE A 41 3.316 15.584 -1.645 1.00 0.00 O ATOM 577 CB ILE A 41 5.525 13.366 -1.203 1.00 0.00 C ATOM 578 CG1 ILE A 41 6.907 13.203 -0.567 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.173 12.144 -2.038 1.00 0.00 C ATOM 580 CD1 ILE A 41 6.985 12.065 0.425 1.00 0.00 C ATOM 0 H ILE A 41 5.874 15.854 -0.409 1.00 0.00 H new ATOM 0 HA ILE A 41 6.046 14.462 -2.987 1.00 0.00 H new ATOM 0 HB ILE A 41 4.788 13.462 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.643 13.039 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.179 14.131 -0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.208 11.253 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.170 12.260 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.889 12.042 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.993 12.009 0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.273 12.237 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.745 11.128 -0.077 1.00 0.00 H new ATOM 592 N HIS A 42 3.603 14.503 -3.597 1.00 0.00 N ATOM 593 CA HIS A 42 2.236 14.733 -4.051 1.00 0.00 C ATOM 594 C HIS A 42 1.245 13.922 -3.222 1.00 0.00 C ATOM 595 O HIS A 42 0.170 14.407 -2.872 1.00 0.00 O ATOM 596 CB HIS A 42 2.099 14.369 -5.530 1.00 0.00 C ATOM 597 CG HIS A 42 2.466 15.486 -6.458 1.00 0.00 C ATOM 598 ND1 HIS A 42 2.272 15.426 -7.822 1.00 0.00 N ATOM 599 CD2 HIS A 42 3.016 16.698 -6.211 1.00 0.00 C ATOM 600 CE1 HIS A 42 2.689 16.552 -8.374 1.00 0.00 C ATOM 601 NE2 HIS A 42 3.144 17.341 -7.417 1.00 0.00 N ATOM 0 H HIS A 42 4.182 13.978 -4.253 1.00 0.00 H new ATOM 0 HA HIS A 42 2.010 15.792 -3.923 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.731 13.507 -5.744 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.071 14.066 -5.728 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.869 14.636 -8.326 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.301 17.087 -5.245 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.662 16.787 -9.428 1.00 0.00 H new ATOM 610 N GLY A 43 1.614 12.683 -2.911 1.00 0.00 N ATOM 611 CA GLY A 43 0.746 11.825 -2.127 1.00 0.00 C ATOM 612 C GLY A 43 1.356 10.461 -1.870 1.00 0.00 C ATOM 613 O GLY A 43 2.575 10.330 -1.759 1.00 0.00 O ATOM 0 H GLY A 43 2.499 12.258 -3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.528 12.307 -1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.204 11.702 -2.647 1.00 0.00 H new ATOM 617 N PHE A 44 0.508 9.443 -1.774 1.00 0.00 N ATOM 618 CA PHE A 44 0.971 8.083 -1.525 1.00 0.00 C ATOM 619 C PHE A 44 0.091 7.068 -2.249 1.00 0.00 C ATOM 620 O PHE A 44 -1.110 6.974 -1.990 1.00 0.00 O ATOM 621 CB PHE A 44 0.977 7.790 -0.023 1.00 0.00 C ATOM 622 CG PHE A 44 2.134 8.413 0.704 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.438 8.132 0.329 1.00 0.00 C ATOM 624 CD2 PHE A 44 1.917 9.280 1.763 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.504 8.703 0.997 1.00 0.00 C ATOM 626 CE2 PHE A 44 2.980 9.855 2.435 1.00 0.00 C ATOM 627 CZ PHE A 44 4.274 9.567 2.051 1.00 0.00 C ATOM 0 H PHE A 44 -0.504 9.534 -1.865 1.00 0.00 H new ATOM 0 HA PHE A 44 1.987 7.996 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.046 8.152 0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.001 6.711 0.129 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.623 7.459 -0.495 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.906 9.509 2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.516 8.475 0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.798 10.529 3.259 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.106 10.016 2.573 1.00 0.00 H new ATOM 637 N TYR A 45 0.696 6.311 -3.158 1.00 0.00 N ATOM 638 CA TYR A 45 -0.032 5.305 -3.922 1.00 0.00 C ATOM 639 C TYR A 45 0.090 3.932 -3.270 1.00 0.00 C ATOM 640 O TYR A 45 1.081 3.635 -2.602 1.00 0.00 O ATOM 641 CB TYR A 45 0.491 5.249 -5.358 1.00 0.00 C ATOM 642 CG TYR A 45 -0.049 6.349 -6.243 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.417 6.562 -6.364 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.809 7.177 -6.957 1.00 0.00 C ATOM 645 CE1 TYR A 45 -1.914 7.566 -7.172 1.00 0.00 C ATOM 646 CE2 TYR A 45 0.320 8.184 -7.767 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.042 8.375 -7.871 1.00 0.00 C ATOM 648 OH TYR A 45 -1.534 9.377 -8.676 1.00 0.00 O ATOM 0 H TYR A 45 1.689 6.375 -3.384 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.085 5.587 -3.936 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.579 5.309 -5.342 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.231 4.284 -5.793 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.103 5.932 -5.817 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.876 7.031 -6.877 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.980 7.717 -7.256 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.001 8.818 -8.316 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.220 10.245 -8.347 1.00 0.00 H new ATOM 658 N ILE A 46 -0.925 3.097 -3.469 1.00 0.00 N ATOM 659 CA ILE A 46 -0.931 1.754 -2.902 1.00 0.00 C ATOM 660 C ILE A 46 -1.452 0.735 -3.910 1.00 0.00 C ATOM 661 O ILE A 46 -2.546 0.888 -4.454 1.00 0.00 O ATOM 662 CB ILE A 46 -1.792 1.685 -1.627 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.296 2.699 -0.594 1.00 0.00 C ATOM 664 CG2 ILE A 46 -1.770 0.278 -1.048 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.389 3.228 0.307 1.00 0.00 C ATOM 0 H ILE A 46 -1.753 3.327 -4.018 1.00 0.00 H new ATOM 0 HA ILE A 46 0.101 1.514 -2.646 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.821 1.934 -1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.525 2.233 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.828 3.535 -1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.383 0.246 -0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.166 -0.424 -1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.745 0.003 -0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.965 3.941 1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.150 3.723 -0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.842 2.401 0.854 1.00 0.00 H new ATOM 677 N TYR A 47 -0.663 -0.306 -4.152 1.00 0.00 N ATOM 678 CA TYR A 47 -1.044 -1.351 -5.094 1.00 0.00 C ATOM 679 C TYR A 47 -1.441 -2.628 -4.361 1.00 0.00 C ATOM 680 O TYR A 47 -0.834 -2.993 -3.353 1.00 0.00 O ATOM 681 CB TYR A 47 0.107 -1.641 -6.059 1.00 0.00 C ATOM 682 CG TYR A 47 0.417 -0.494 -6.994 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.707 0.772 -6.501 1.00 0.00 C ATOM 684 CD2 TYR A 47 0.422 -0.676 -8.372 1.00 0.00 C ATOM 685 CE1 TYR A 47 0.990 1.823 -7.351 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.705 0.369 -9.230 1.00 0.00 C ATOM 687 CZ TYR A 47 0.988 1.617 -8.715 1.00 0.00 C ATOM 688 OH TYR A 47 1.271 2.660 -9.566 1.00 0.00 O ATOM 0 H TYR A 47 0.244 -0.448 -3.709 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.905 -0.997 -5.661 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.001 -1.881 -5.483 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.139 -2.524 -6.649 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.711 0.937 -5.434 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.201 -1.652 -8.779 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.212 2.801 -6.950 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.705 0.210 -10.298 1.00 0.00 H new ATOM 0 HH TYR A 47 1.229 2.346 -10.493 1.00 0.00 H new ATOM 698 N TYR A 48 -2.464 -3.303 -4.873 1.00 0.00 N ATOM 699 CA TYR A 48 -2.944 -4.539 -4.267 1.00 0.00 C ATOM 700 C TYR A 48 -3.645 -5.416 -5.300 1.00 0.00 C ATOM 701 O TYR A 48 -4.143 -4.924 -6.313 1.00 0.00 O ATOM 702 CB TYR A 48 -3.900 -4.228 -3.114 1.00 0.00 C ATOM 703 CG TYR A 48 -5.024 -3.291 -3.495 1.00 0.00 C ATOM 704 CD1 TYR A 48 -4.871 -1.913 -3.396 1.00 0.00 C ATOM 705 CD2 TYR A 48 -6.239 -3.783 -3.955 1.00 0.00 C ATOM 706 CE1 TYR A 48 -5.895 -1.054 -3.742 1.00 0.00 C ATOM 707 CE2 TYR A 48 -7.269 -2.931 -4.305 1.00 0.00 C ATOM 708 CZ TYR A 48 -7.092 -1.567 -4.196 1.00 0.00 C ATOM 709 OH TYR A 48 -8.114 -0.714 -4.544 1.00 0.00 O ATOM 0 H TYR A 48 -2.977 -3.015 -5.706 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.082 -5.083 -3.880 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.326 -5.161 -2.744 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.334 -3.788 -2.293 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.935 -1.507 -3.042 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.381 -4.850 -4.041 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.759 0.014 -3.658 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.207 -3.330 -4.662 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.765 0.198 -4.625 1.00 0.00 H new ATOM 719 N ARG A 49 -3.679 -6.718 -5.036 1.00 0.00 N ATOM 720 CA ARG A 49 -4.317 -7.665 -5.942 1.00 0.00 C ATOM 721 C ARG A 49 -4.333 -9.067 -5.340 1.00 0.00 C ATOM 722 O ARG A 49 -3.366 -9.515 -4.723 1.00 0.00 O ATOM 723 CB ARG A 49 -3.591 -7.684 -7.288 1.00 0.00 C ATOM 724 CG ARG A 49 -2.250 -8.399 -7.247 1.00 0.00 C ATOM 725 CD ARG A 49 -2.396 -9.875 -7.584 1.00 0.00 C ATOM 726 NE ARG A 49 -1.134 -10.596 -7.440 1.00 0.00 N ATOM 727 CZ ARG A 49 -0.097 -10.432 -8.254 1.00 0.00 C ATOM 728 NH1 ARG A 49 -0.171 -9.575 -9.264 1.00 0.00 N ATOM 729 NH2 ARG A 49 1.018 -11.124 -8.058 1.00 0.00 N ATOM 0 H ARG A 49 -3.272 -7.141 -4.202 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.347 -7.343 -6.097 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.228 -8.168 -8.028 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.436 -6.658 -7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.564 -7.930 -7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.810 -8.293 -6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.146 -10.323 -6.932 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.759 -9.979 -8.607 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.044 -11.262 -6.673 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.026 -9.040 -9.417 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.627 -9.451 -9.887 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.080 -11.783 -7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.814 -10.997 -8.684 1.00 0.00 H new ATOM 743 N PRO A 50 -5.456 -9.777 -5.523 1.00 0.00 N ATOM 744 CA PRO A 50 -5.625 -11.138 -5.006 1.00 0.00 C ATOM 745 C PRO A 50 -4.750 -12.150 -5.738 1.00 0.00 C ATOM 746 O PRO A 50 -4.510 -12.024 -6.940 1.00 0.00 O ATOM 747 CB PRO A 50 -7.106 -11.432 -5.256 1.00 0.00 C ATOM 748 CG PRO A 50 -7.479 -10.550 -6.398 1.00 0.00 C ATOM 749 CD PRO A 50 -6.647 -9.306 -6.249 1.00 0.00 C ATOM 0 HA PRO A 50 -5.332 -11.215 -3.959 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.266 -12.483 -5.498 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.708 -11.213 -4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.281 -11.040 -7.351 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.543 -10.313 -6.377 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.385 -8.880 -7.217 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.177 -8.532 -5.693 1.00 0.00 H new ATOM 757 N THR A 51 -4.275 -13.154 -5.008 1.00 0.00 N ATOM 758 CA THR A 51 -3.426 -14.186 -5.588 1.00 0.00 C ATOM 759 C THR A 51 -4.119 -14.875 -6.758 1.00 0.00 C ATOM 760 O THR A 51 -3.467 -15.472 -7.614 1.00 0.00 O ATOM 761 CB THR A 51 -3.034 -15.246 -4.541 1.00 0.00 C ATOM 762 OG1 THR A 51 -1.773 -15.831 -4.884 1.00 0.00 O ATOM 763 CG2 THR A 51 -4.095 -16.333 -4.449 1.00 0.00 C ATOM 0 H THR A 51 -4.464 -13.274 -4.013 1.00 0.00 H new ATOM 0 HA THR A 51 -2.524 -13.689 -5.945 1.00 0.00 H new ATOM 0 HB THR A 51 -2.954 -14.755 -3.571 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.530 -16.503 -4.213 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.797 -17.070 -3.704 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.047 -15.889 -4.159 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.202 -16.820 -5.418 1.00 0.00 H new ATOM 771 N ASP A 52 -5.444 -14.789 -6.788 1.00 0.00 N ATOM 772 CA ASP A 52 -6.227 -15.403 -7.854 1.00 0.00 C ATOM 773 C ASP A 52 -6.069 -14.629 -9.159 1.00 0.00 C ATOM 774 O ASP A 52 -6.390 -15.134 -10.235 1.00 0.00 O ATOM 775 CB ASP A 52 -7.704 -15.467 -7.460 1.00 0.00 C ATOM 776 CG ASP A 52 -8.045 -16.732 -6.698 1.00 0.00 C ATOM 777 OD1 ASP A 52 -7.993 -17.823 -7.305 1.00 0.00 O ATOM 778 OD2 ASP A 52 -8.365 -16.632 -5.495 1.00 0.00 O ATOM 0 H ASP A 52 -5.999 -14.300 -6.086 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.856 -16.416 -8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.952 -14.600 -6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.319 -15.410 -8.358 1.00 0.00 H new ATOM 783 N SER A 53 -5.572 -13.400 -9.056 1.00 0.00 N ATOM 784 CA SER A 53 -5.376 -12.554 -10.228 1.00 0.00 C ATOM 785 C SER A 53 -4.593 -13.295 -11.308 1.00 0.00 C ATOM 786 O SER A 53 -4.164 -14.432 -11.109 1.00 0.00 O ATOM 787 CB SER A 53 -4.640 -11.271 -9.839 1.00 0.00 C ATOM 788 OG SER A 53 -5.552 -10.251 -9.471 1.00 0.00 O ATOM 0 H SER A 53 -5.298 -12.968 -8.173 1.00 0.00 H new ATOM 0 HA SER A 53 -6.357 -12.295 -10.627 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.963 -11.474 -9.009 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.028 -10.932 -10.675 1.00 0.00 H new ATOM 0 HG SER A 53 -6.449 -10.633 -9.376 1.00 0.00 H new ATOM 794 N ASP A 54 -4.412 -12.643 -12.451 1.00 0.00 N ATOM 795 CA ASP A 54 -3.681 -13.238 -13.563 1.00 0.00 C ATOM 796 C ASP A 54 -2.249 -12.715 -13.614 1.00 0.00 C ATOM 797 O ASP A 54 -1.309 -13.472 -13.851 1.00 0.00 O ATOM 798 CB ASP A 54 -4.392 -12.943 -14.885 1.00 0.00 C ATOM 799 CG ASP A 54 -4.165 -14.029 -15.919 1.00 0.00 C ATOM 800 OD1 ASP A 54 -4.408 -15.212 -15.600 1.00 0.00 O ATOM 801 OD2 ASP A 54 -3.747 -13.695 -17.047 1.00 0.00 O ATOM 0 H ASP A 54 -4.762 -11.702 -12.632 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.650 -14.317 -13.409 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.461 -12.836 -14.703 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.039 -11.990 -15.279 1.00 0.00 H new ATOM 806 N ASN A 55 -2.091 -11.414 -13.391 1.00 0.00 N ATOM 807 CA ASN A 55 -0.774 -10.789 -13.413 1.00 0.00 C ATOM 808 C ASN A 55 -0.841 -9.361 -12.880 1.00 0.00 C ATOM 809 O ASN A 55 -1.894 -8.901 -12.438 1.00 0.00 O ATOM 810 CB ASN A 55 -0.211 -10.788 -14.835 1.00 0.00 C ATOM 811 CG ASN A 55 -1.298 -10.690 -15.888 1.00 0.00 C ATOM 812 OD1 ASN A 55 -2.331 -10.057 -15.672 1.00 0.00 O ATOM 813 ND2 ASN A 55 -1.069 -11.319 -17.035 1.00 0.00 N ATOM 0 H ASN A 55 -2.859 -10.772 -13.193 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.113 -11.368 -12.768 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.478 -9.951 -14.949 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.365 -11.699 -14.995 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.764 -11.289 -17.781 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.198 -11.832 -17.170 1.00 0.00 H new ATOM 820 N ASP A 56 0.290 -8.665 -12.925 1.00 0.00 N ATOM 821 CA ASP A 56 0.361 -7.289 -12.449 1.00 0.00 C ATOM 822 C ASP A 56 -0.803 -6.465 -12.992 1.00 0.00 C ATOM 823 O ASP A 56 -1.347 -5.607 -12.297 1.00 0.00 O ATOM 824 CB ASP A 56 1.689 -6.651 -12.860 1.00 0.00 C ATOM 825 CG ASP A 56 2.874 -7.558 -12.590 1.00 0.00 C ATOM 826 OD1 ASP A 56 3.344 -7.591 -11.433 1.00 0.00 O ATOM 827 OD2 ASP A 56 3.330 -8.234 -13.535 1.00 0.00 O ATOM 0 H ASP A 56 1.170 -9.032 -13.287 1.00 0.00 H new ATOM 0 HA ASP A 56 0.296 -7.304 -11.361 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.658 -6.405 -13.921 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.822 -5.714 -12.319 1.00 0.00 H new ATOM 832 N SER A 57 -1.178 -6.732 -14.239 1.00 0.00 N ATOM 833 CA SER A 57 -2.273 -6.012 -14.878 1.00 0.00 C ATOM 834 C SER A 57 -3.428 -5.804 -13.903 1.00 0.00 C ATOM 835 O SER A 57 -4.212 -4.864 -14.043 1.00 0.00 O ATOM 836 CB SER A 57 -2.763 -6.775 -16.111 1.00 0.00 C ATOM 837 OG SER A 57 -1.813 -6.710 -17.161 1.00 0.00 O ATOM 0 H SER A 57 -0.740 -7.441 -14.827 1.00 0.00 H new ATOM 0 HA SER A 57 -1.901 -5.035 -15.188 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.949 -7.816 -15.848 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.712 -6.357 -16.448 1.00 0.00 H new ATOM 0 HG SER A 57 -2.148 -7.206 -17.937 1.00 0.00 H new ATOM 843 N ASP A 58 -3.527 -6.687 -12.916 1.00 0.00 N ATOM 844 CA ASP A 58 -4.585 -6.601 -11.916 1.00 0.00 C ATOM 845 C ASP A 58 -4.261 -5.536 -10.872 1.00 0.00 C ATOM 846 O ASP A 58 -5.122 -4.743 -10.491 1.00 0.00 O ATOM 847 CB ASP A 58 -4.785 -7.956 -11.236 1.00 0.00 C ATOM 848 CG ASP A 58 -5.508 -8.949 -12.124 1.00 0.00 C ATOM 849 OD1 ASP A 58 -4.836 -9.612 -12.942 1.00 0.00 O ATOM 850 OD2 ASP A 58 -6.746 -9.062 -12.003 1.00 0.00 O ATOM 0 H ASP A 58 -2.887 -7.471 -12.787 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.508 -6.318 -12.423 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.814 -8.365 -10.954 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.352 -7.817 -10.315 1.00 0.00 H new ATOM 855 N TYR A 59 -3.014 -5.526 -10.413 1.00 0.00 N ATOM 856 CA TYR A 59 -2.577 -4.562 -9.410 1.00 0.00 C ATOM 857 C TYR A 59 -3.280 -3.221 -9.601 1.00 0.00 C ATOM 858 O TYR A 59 -3.308 -2.672 -10.702 1.00 0.00 O ATOM 859 CB TYR A 59 -1.061 -4.371 -9.483 1.00 0.00 C ATOM 860 CG TYR A 59 -0.285 -5.361 -8.644 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.630 -5.599 -7.320 1.00 0.00 C ATOM 862 CD2 TYR A 59 0.793 -6.057 -9.176 1.00 0.00 C ATOM 863 CE1 TYR A 59 0.077 -6.503 -6.549 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.504 -6.963 -8.414 1.00 0.00 C ATOM 865 CZ TYR A 59 1.143 -7.182 -7.101 1.00 0.00 C ATOM 866 OH TYR A 59 1.850 -8.083 -6.338 1.00 0.00 O ATOM 0 H TYR A 59 -2.289 -6.174 -10.719 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.840 -4.953 -8.427 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.742 -4.459 -10.522 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.814 -3.360 -9.158 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.465 -5.069 -6.885 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.080 -5.887 -10.203 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.204 -6.676 -5.521 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.338 -7.497 -8.844 1.00 0.00 H new ATOM 0 HH TYR A 59 2.568 -8.475 -6.877 1.00 0.00 H new ATOM 876 N LYS A 60 -3.847 -2.699 -8.519 1.00 0.00 N ATOM 877 CA LYS A 60 -4.549 -1.422 -8.563 1.00 0.00 C ATOM 878 C LYS A 60 -3.669 -0.298 -8.025 1.00 0.00 C ATOM 879 O LYS A 60 -2.495 -0.508 -7.717 1.00 0.00 O ATOM 880 CB LYS A 60 -5.845 -1.500 -7.753 1.00 0.00 C ATOM 881 CG LYS A 60 -7.048 -1.938 -8.570 1.00 0.00 C ATOM 882 CD LYS A 60 -8.165 -2.460 -7.683 1.00 0.00 C ATOM 883 CE LYS A 60 -8.968 -3.548 -8.379 1.00 0.00 C ATOM 884 NZ LYS A 60 -8.418 -4.904 -8.104 1.00 0.00 N ATOM 0 H LYS A 60 -3.834 -3.141 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.790 -1.205 -9.604 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.705 -2.196 -6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.050 -0.523 -7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.414 -1.098 -9.160 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.748 -2.715 -9.273 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.743 -2.853 -6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.826 -1.638 -7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.005 -3.503 -8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.969 -3.367 -9.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.993 -5.618 -8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.436 -4.956 -8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.440 -5.087 -7.080 1.00 0.00 H new ATOM 898 N LYS A 61 -4.242 0.895 -7.915 1.00 0.00 N ATOM 899 CA LYS A 61 -3.511 2.052 -7.412 1.00 0.00 C ATOM 900 C LYS A 61 -4.438 2.991 -6.646 1.00 0.00 C ATOM 901 O LYS A 61 -5.291 3.654 -7.237 1.00 0.00 O ATOM 902 CB LYS A 61 -2.848 2.804 -8.568 1.00 0.00 C ATOM 903 CG LYS A 61 -1.740 3.745 -8.126 1.00 0.00 C ATOM 904 CD LYS A 61 -1.032 4.371 -9.316 1.00 0.00 C ATOM 905 CE LYS A 61 -1.935 5.349 -10.050 1.00 0.00 C ATOM 906 NZ LYS A 61 -1.192 6.120 -11.086 1.00 0.00 N ATOM 0 H LYS A 61 -5.211 1.086 -8.168 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.740 1.694 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.439 2.081 -9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.607 3.376 -9.101 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.158 4.530 -7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.019 3.199 -7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.134 4.888 -8.976 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.709 3.588 -10.002 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.754 4.804 -10.520 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.381 6.039 -9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.843 6.776 -11.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.426 6.660 -10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.788 5.463 -11.784 1.00 0.00 H new ATOM 920 N ASP A 62 -4.264 3.044 -5.330 1.00 0.00 N ATOM 921 CA ASP A 62 -5.083 3.904 -4.484 1.00 0.00 C ATOM 922 C ASP A 62 -4.304 5.141 -4.051 1.00 0.00 C ATOM 923 O ASP A 62 -3.299 5.039 -3.349 1.00 0.00 O ATOM 924 CB ASP A 62 -5.567 3.134 -3.255 1.00 0.00 C ATOM 925 CG ASP A 62 -6.875 2.409 -3.503 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.197 2.154 -4.682 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.578 2.097 -2.518 1.00 0.00 O ATOM 0 H ASP A 62 -3.563 2.501 -4.826 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.947 4.227 -5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.806 2.412 -2.959 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.691 3.826 -2.422 1.00 0.00 H new ATOM 932 N MET A 63 -4.775 6.309 -4.475 1.00 0.00 N ATOM 933 CA MET A 63 -4.122 7.567 -4.131 1.00 0.00 C ATOM 934 C MET A 63 -4.443 7.971 -2.695 1.00 0.00 C ATOM 935 O MET A 63 -5.579 7.833 -2.240 1.00 0.00 O ATOM 936 CB MET A 63 -4.558 8.673 -5.094 1.00 0.00 C ATOM 937 CG MET A 63 -3.656 9.896 -5.062 1.00 0.00 C ATOM 938 SD MET A 63 -4.545 11.424 -5.418 1.00 0.00 S ATOM 939 CE MET A 63 -4.691 12.121 -3.774 1.00 0.00 C ATOM 0 H MET A 63 -5.606 6.411 -5.057 1.00 0.00 H new ATOM 0 HA MET A 63 -3.045 7.424 -4.218 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.579 8.273 -6.108 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.576 8.976 -4.850 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.189 9.972 -4.080 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.853 9.770 -5.788 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.220 13.072 -3.828 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.245 11.433 -3.135 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.697 12.282 -3.358 1.00 0.00 H new ATOM 949 N VAL A 64 -3.435 8.469 -1.986 1.00 0.00 N ATOM 950 CA VAL A 64 -3.611 8.893 -0.602 1.00 0.00 C ATOM 951 C VAL A 64 -2.971 10.256 -0.360 1.00 0.00 C ATOM 952 O VAL A 64 -2.130 10.704 -1.138 1.00 0.00 O ATOM 953 CB VAL A 64 -3.006 7.872 0.379 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.461 8.163 1.801 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.378 6.455 -0.030 1.00 0.00 C ATOM 0 H VAL A 64 -2.489 8.589 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.684 8.962 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.920 7.961 0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.023 7.431 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.138 9.164 2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.548 8.103 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.942 5.747 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.463 6.348 -0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.996 6.253 -1.031 1.00 0.00 H new ATOM 965 N GLU A 65 -3.376 10.909 0.725 1.00 0.00 N ATOM 966 CA GLU A 65 -2.841 12.221 1.070 1.00 0.00 C ATOM 967 C GLU A 65 -1.327 12.162 1.249 1.00 0.00 C ATOM 968 O GLU A 65 -0.765 11.104 1.530 1.00 0.00 O ATOM 969 CB GLU A 65 -3.497 12.744 2.350 1.00 0.00 C ATOM 970 CG GLU A 65 -5.016 12.744 2.299 1.00 0.00 C ATOM 971 CD GLU A 65 -5.566 13.762 1.318 1.00 0.00 C ATOM 972 OE1 GLU A 65 -4.819 14.691 0.947 1.00 0.00 O ATOM 973 OE2 GLU A 65 -6.743 13.629 0.922 1.00 0.00 O ATOM 0 H GLU A 65 -4.072 10.551 1.379 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.066 12.903 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.170 12.133 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.148 13.759 2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.367 11.750 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.409 12.954 3.294 1.00 0.00 H new ATOM 980 N GLY A 66 -0.672 13.307 1.083 1.00 0.00 N ATOM 981 CA GLY A 66 0.771 13.365 1.229 1.00 0.00 C ATOM 982 C GLY A 66 1.204 13.452 2.679 1.00 0.00 C ATOM 983 O GLY A 66 2.371 13.228 3.000 1.00 0.00 O ATOM 0 H GLY A 66 -1.115 14.196 0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.215 12.480 0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.154 14.229 0.686 1.00 0.00 H new ATOM 987 N ASP A 67 0.262 13.779 3.557 1.00 0.00 N ATOM 988 CA ASP A 67 0.552 13.895 4.982 1.00 0.00 C ATOM 989 C ASP A 67 0.096 12.649 5.733 1.00 0.00 C ATOM 990 O ASP A 67 0.452 12.447 6.894 1.00 0.00 O ATOM 991 CB ASP A 67 -0.130 15.135 5.563 1.00 0.00 C ATOM 992 CG ASP A 67 0.073 15.259 7.060 1.00 0.00 C ATOM 993 OD1 ASP A 67 1.235 15.173 7.511 1.00 0.00 O ATOM 994 OD2 ASP A 67 -0.930 15.443 7.781 1.00 0.00 O ATOM 0 H ASP A 67 -0.709 13.968 3.307 1.00 0.00 H new ATOM 0 HA ASP A 67 1.631 13.994 5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.261 16.025 5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.197 15.094 5.346 1.00 0.00 H new ATOM 999 N ARG A 68 -0.694 11.816 5.063 1.00 0.00 N ATOM 1000 CA ARG A 68 -1.201 10.591 5.669 1.00 0.00 C ATOM 1001 C ARG A 68 -0.215 9.442 5.479 1.00 0.00 C ATOM 1002 O ARG A 68 0.257 9.193 4.369 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.556 10.219 5.063 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.371 9.273 5.928 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.270 10.033 6.891 1.00 0.00 C ATOM 1006 NE ARG A 68 -3.573 10.388 8.124 1.00 0.00 N ATOM 1007 CZ ARG A 68 -4.047 11.254 9.013 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -5.214 11.849 8.806 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -3.355 11.525 10.112 1.00 0.00 N ATOM 0 H ARG A 68 -0.997 11.967 4.101 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.325 10.769 6.737 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.131 11.129 4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.394 9.758 4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.979 8.629 5.292 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.700 8.624 6.490 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.636 10.939 6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.142 9.425 7.130 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.673 9.947 8.313 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.750 11.642 7.963 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.576 12.514 9.490 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.458 11.068 10.275 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.720 12.190 10.794 1.00 0.00 H new ATOM 1023 N TYR A 69 0.093 8.747 6.568 1.00 0.00 N ATOM 1024 CA TYR A 69 1.026 7.627 6.522 1.00 0.00 C ATOM 1025 C TYR A 69 0.305 6.308 6.782 1.00 0.00 C ATOM 1026 O TYR A 69 0.938 5.275 7.004 1.00 0.00 O ATOM 1027 CB TYR A 69 2.142 7.823 7.549 1.00 0.00 C ATOM 1028 CG TYR A 69 3.331 8.587 7.013 1.00 0.00 C ATOM 1029 CD1 TYR A 69 3.159 9.677 6.169 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.628 8.218 7.351 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.243 10.377 5.676 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.718 8.914 6.864 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.520 9.992 6.026 1.00 0.00 C ATOM 1034 OH TYR A 69 6.603 10.687 5.539 1.00 0.00 O ATOM 0 H TYR A 69 -0.290 8.939 7.494 1.00 0.00 H new ATOM 0 HA TYR A 69 1.463 7.591 5.524 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.740 8.352 8.413 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.476 6.847 7.900 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.160 9.982 5.894 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.786 7.373 8.005 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.091 11.221 5.020 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.719 8.616 7.138 1.00 0.00 H new ATOM 0 HH TYR A 69 7.117 11.057 6.287 1.00 0.00 H new ATOM 1044 N TRP A 70 -1.022 6.350 6.752 1.00 0.00 N ATOM 1045 CA TRP A 70 -1.830 5.158 6.984 1.00 0.00 C ATOM 1046 C TRP A 70 -3.056 5.147 6.078 1.00 0.00 C ATOM 1047 O TRP A 70 -3.656 6.190 5.816 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.262 5.087 8.450 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.374 6.034 8.787 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.256 7.256 9.385 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -4.771 5.835 8.549 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.497 7.829 9.532 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.443 6.977 9.026 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.521 4.803 7.976 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -6.826 7.114 8.949 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -6.894 4.941 7.900 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.535 6.089 8.384 1.00 0.00 C ATOM 0 H TRP A 70 -1.561 7.196 6.569 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.221 4.285 6.750 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.579 4.070 8.679 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.404 5.305 9.085 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.325 7.706 9.697 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.683 8.741 9.950 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.036 3.914 7.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.322 7.998 9.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.483 4.150 7.460 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.610 6.166 8.310 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.425 3.962 5.603 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.582 3.816 4.727 1.00 0.00 C ATOM 1070 C HIS A 71 -5.265 2.470 4.948 1.00 0.00 C ATOM 1071 O HIS A 71 -4.621 1.490 5.325 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.160 3.952 3.263 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.306 3.891 2.301 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -6.130 4.966 2.043 1.00 0.00 N ATOM 1075 CD2 HIS A 71 -5.762 2.875 1.532 1.00 0.00 C ATOM 1076 CE1 HIS A 71 -7.045 4.613 1.157 1.00 0.00 C ATOM 1077 NE2 HIS A 71 -6.844 3.349 0.831 1.00 0.00 N ATOM 0 H HIS A 71 -2.940 3.089 5.810 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.291 4.608 4.969 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.636 4.898 3.131 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.452 3.159 3.022 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.352 1.877 1.479 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.825 5.250 0.766 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.402 2.812 0.167 1.00 0.00 H new ATOM 1086 N SER A 72 -6.572 2.429 4.711 1.00 0.00 N ATOM 1087 CA SER A 72 -7.343 1.204 4.889 1.00 0.00 C ATOM 1088 C SER A 72 -8.021 0.794 3.585 1.00 0.00 C ATOM 1089 O SER A 72 -9.006 1.403 3.168 1.00 0.00 O ATOM 1090 CB SER A 72 -8.393 1.392 5.986 1.00 0.00 C ATOM 1091 OG SER A 72 -9.241 2.490 5.698 1.00 0.00 O ATOM 0 H SER A 72 -7.119 3.230 4.395 1.00 0.00 H new ATOM 0 HA SER A 72 -6.656 0.412 5.186 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.989 0.484 6.083 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.898 1.552 6.944 1.00 0.00 H new ATOM 0 HG SER A 72 -9.451 2.499 4.741 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.486 -0.241 2.947 1.00 0.00 N ATOM 1098 CA ILE A 73 -8.039 -0.733 1.692 1.00 0.00 C ATOM 1099 C ILE A 73 -9.360 -1.459 1.920 1.00 0.00 C ATOM 1100 O ILE A 73 -9.568 -2.077 2.964 1.00 0.00 O ATOM 1101 CB ILE A 73 -7.059 -1.684 0.979 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.661 -1.065 0.925 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.557 -2.006 -0.422 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.553 -2.086 0.787 1.00 0.00 C ATOM 0 H ILE A 73 -6.670 -0.755 3.279 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.211 0.138 1.060 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.002 -2.614 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.612 -0.372 0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.496 -0.481 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.854 -2.679 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.534 -2.485 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.641 -1.085 -0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.590 -1.576 0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.576 -2.765 1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.694 -2.653 -0.133 1.00 0.00 H new ATOM 1116 N SER A 74 -10.250 -1.381 0.935 1.00 0.00 N ATOM 1117 CA SER A 74 -11.552 -2.030 1.029 1.00 0.00 C ATOM 1118 C SER A 74 -11.912 -2.719 -0.283 1.00 0.00 C ATOM 1119 O SER A 74 -11.189 -2.609 -1.274 1.00 0.00 O ATOM 1120 CB SER A 74 -12.630 -1.007 1.394 1.00 0.00 C ATOM 1121 OG SER A 74 -12.161 -0.101 2.378 1.00 0.00 O ATOM 0 H SER A 74 -10.093 -0.875 0.063 1.00 0.00 H new ATOM 0 HA SER A 74 -11.498 -2.786 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.931 -0.457 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.516 -1.524 1.763 1.00 0.00 H new ATOM 0 HG SER A 74 -12.868 0.543 2.593 1.00 0.00 H new ATOM 1127 N HIS A 75 -13.036 -3.429 -0.283 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.493 -4.137 -1.474 1.00 0.00 C ATOM 1129 C HIS A 75 -12.531 -5.262 -1.841 1.00 0.00 C ATOM 1130 O HIS A 75 -12.180 -5.437 -3.009 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.633 -3.166 -2.647 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.315 -1.883 -2.285 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -13.934 -0.659 -2.791 1.00 0.00 N ATOM 1134 CD2 HIS A 75 -15.362 -1.639 -1.463 1.00 0.00 C ATOM 1135 CE1 HIS A 75 -14.715 0.283 -2.295 1.00 0.00 C ATOM 1136 NE2 HIS A 75 -15.591 -0.285 -1.486 1.00 0.00 N ATOM 0 H HIS A 75 -13.647 -3.529 0.528 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.467 -4.574 -1.255 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.642 -2.942 -3.043 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -14.193 -3.653 -3.446 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -15.915 -2.372 -0.895 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -14.649 1.339 -2.514 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -16.319 0.202 -0.964 1.00 0.00 H new ATOM 1145 N LEU A 76 -12.106 -6.022 -0.837 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.183 -7.130 -1.054 1.00 0.00 C ATOM 1147 C LEU A 76 -11.880 -8.469 -0.837 1.00 0.00 C ATOM 1148 O LEU A 76 -13.086 -8.520 -0.598 1.00 0.00 O ATOM 1149 CB LEU A 76 -9.981 -7.010 -0.115 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.340 -5.625 -0.018 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.635 -5.455 1.318 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.368 -5.406 -1.168 1.00 0.00 C ATOM 0 H LEU A 76 -12.386 -5.891 0.135 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.836 -7.085 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.294 -7.314 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.219 -7.719 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.128 -4.875 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.185 -4.463 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.357 -5.568 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.857 -6.212 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.921 -4.415 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.584 -6.162 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.902 -5.483 -2.115 1.00 0.00 H new ATOM 1164 N GLN A 77 -11.112 -9.551 -0.922 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.656 -10.890 -0.733 1.00 0.00 C ATOM 1166 C GLN A 77 -11.390 -11.392 0.682 1.00 0.00 C ATOM 1167 O GLN A 77 -10.330 -11.154 1.262 1.00 0.00 O ATOM 1168 CB GLN A 77 -11.051 -11.857 -1.752 1.00 0.00 C ATOM 1169 CG GLN A 77 -11.131 -11.359 -3.186 1.00 0.00 C ATOM 1170 CD GLN A 77 -10.045 -10.354 -3.516 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -9.073 -10.207 -2.774 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -10.205 -9.655 -4.634 1.00 0.00 N ATOM 0 H GLN A 77 -10.112 -9.526 -1.120 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.734 -10.841 -0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.007 -12.035 -1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.565 -12.816 -1.680 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.054 -12.207 -3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.106 -10.903 -3.354 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.026 -9.810 -5.219 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.507 -8.964 -4.908 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.373 -12.104 1.253 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.268 -12.655 2.607 1.00 0.00 C ATOM 1183 C PRO A 78 -11.259 -13.795 2.693 1.00 0.00 C ATOM 1184 O PRO A 78 -11.042 -14.517 1.721 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.681 -13.168 2.892 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.261 -13.447 1.548 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.663 -12.427 0.620 1.00 0.00 C ATOM 0 HA PRO A 78 -11.917 -11.912 3.323 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.659 -14.067 3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.270 -12.426 3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.022 -14.459 1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.348 -13.367 1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.528 -12.828 -0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.298 -11.546 0.529 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.648 -13.952 3.863 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.662 -15.005 4.074 1.00 0.00 C ATOM 1197 C GLU A 79 -8.870 -15.273 2.797 1.00 0.00 C ATOM 1198 O GLU A 79 -8.643 -16.424 2.422 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.348 -16.291 4.540 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.751 -16.468 3.984 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.260 -17.889 4.126 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -11.564 -18.818 3.667 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -13.355 -18.072 4.698 1.00 0.00 O ATOM 0 H GLU A 79 -10.818 -13.364 4.679 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.970 -14.670 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.739 -17.145 4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.395 -16.294 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.430 -15.789 4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.759 -16.187 2.931 1.00 0.00 H new ATOM 1210 N THR A 80 -8.452 -14.201 2.131 1.00 0.00 N ATOM 1211 CA THR A 80 -7.688 -14.318 0.896 1.00 0.00 C ATOM 1212 C THR A 80 -6.272 -13.780 1.072 1.00 0.00 C ATOM 1213 O THR A 80 -6.057 -12.568 1.098 1.00 0.00 O ATOM 1214 CB THR A 80 -8.371 -13.565 -0.261 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.737 -13.978 -0.376 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.647 -13.820 -1.575 1.00 0.00 C ATOM 0 H THR A 80 -8.630 -13.241 2.427 1.00 0.00 H new ATOM 0 HA THR A 80 -7.643 -15.379 0.652 1.00 0.00 H new ATOM 0 HB THR A 80 -8.332 -12.498 -0.043 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.196 -13.830 0.477 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.148 -13.278 -2.377 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.615 -13.478 -1.494 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.659 -14.887 -1.796 1.00 0.00 H new ATOM 1224 N SER A 81 -5.309 -14.689 1.191 1.00 0.00 N ATOM 1225 CA SER A 81 -3.914 -14.305 1.368 1.00 0.00 C ATOM 1226 C SER A 81 -3.306 -13.843 0.047 1.00 0.00 C ATOM 1227 O SER A 81 -3.054 -14.649 -0.849 1.00 0.00 O ATOM 1228 CB SER A 81 -3.108 -15.477 1.931 1.00 0.00 C ATOM 1229 OG SER A 81 -2.006 -15.018 2.696 1.00 0.00 O ATOM 0 H SER A 81 -5.470 -15.696 1.168 1.00 0.00 H new ATOM 0 HA SER A 81 -3.878 -13.476 2.074 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.752 -16.100 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.751 -16.103 1.113 1.00 0.00 H new ATOM 0 HG SER A 81 -1.508 -15.786 3.046 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.073 -12.540 -0.066 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.497 -11.969 -1.278 1.00 0.00 C ATOM 1237 C TYR A 82 -1.389 -10.977 -0.939 1.00 0.00 C ATOM 1238 O TYR A 82 -1.341 -10.436 0.166 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.581 -11.277 -2.106 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.467 -10.358 -1.296 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -3.992 -9.139 -0.827 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.778 -10.708 -0.998 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.798 -8.296 -0.086 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.591 -9.871 -0.259 1.00 0.00 C ATOM 1245 CZ TYR A 82 -6.097 -8.666 0.195 1.00 0.00 C ATOM 1246 OH TYR A 82 -6.903 -7.830 0.932 1.00 0.00 O ATOM 0 H TYR A 82 -3.274 -11.859 0.667 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.066 -12.782 -1.863 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.107 -10.703 -2.902 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.200 -12.035 -2.585 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.976 -8.846 -1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.168 -11.651 -1.350 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.413 -7.352 0.271 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.608 -10.159 -0.038 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.801 -8.216 0.999 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.500 -10.742 -1.898 1.00 0.00 N ATOM 1257 CA ASP A 83 0.607 -9.814 -1.704 1.00 0.00 C ATOM 1258 C ASP A 83 0.124 -8.368 -1.773 1.00 0.00 C ATOM 1259 O ASP A 83 -0.887 -8.072 -2.412 1.00 0.00 O ATOM 1260 CB ASP A 83 1.692 -10.053 -2.756 1.00 0.00 C ATOM 1261 CG ASP A 83 2.708 -11.088 -2.315 1.00 0.00 C ATOM 1262 OD1 ASP A 83 3.186 -10.998 -1.165 1.00 0.00 O ATOM 1263 OD2 ASP A 83 3.023 -11.989 -3.120 1.00 0.00 O ATOM 0 H ASP A 83 -0.525 -11.182 -2.818 1.00 0.00 H new ATOM 0 HA ASP A 83 1.027 -9.991 -0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.227 -10.378 -3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.203 -9.113 -2.967 1.00 0.00 H new ATOM 1268 N ILE A 84 0.850 -7.474 -1.112 1.00 0.00 N ATOM 1269 CA ILE A 84 0.495 -6.061 -1.099 1.00 0.00 C ATOM 1270 C ILE A 84 1.738 -5.181 -1.171 1.00 0.00 C ATOM 1271 O ILE A 84 2.814 -5.568 -0.715 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.308 -5.693 0.163 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.595 -6.517 0.233 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.624 -4.205 0.175 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.096 -6.736 1.643 1.00 0.00 C ATOM 0 H ILE A 84 1.688 -7.703 -0.578 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.124 -5.884 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 84 0.297 -5.923 1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.370 -6.015 -0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.423 -7.485 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.192 -3.961 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.305 -3.636 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.213 -3.951 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.011 -7.328 1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.338 -7.266 2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.300 -5.773 2.110 1.00 0.00 H new ATOM 1287 N LYS A 85 1.583 -3.993 -1.746 1.00 0.00 N ATOM 1288 CA LYS A 85 2.691 -3.055 -1.877 1.00 0.00 C ATOM 1289 C LYS A 85 2.180 -1.623 -2.008 1.00 0.00 C ATOM 1290 O LYS A 85 0.973 -1.387 -2.041 1.00 0.00 O ATOM 1291 CB LYS A 85 3.551 -3.414 -3.091 1.00 0.00 C ATOM 1292 CG LYS A 85 2.965 -2.944 -4.411 1.00 0.00 C ATOM 1293 CD LYS A 85 4.002 -2.970 -5.522 1.00 0.00 C ATOM 1294 CE LYS A 85 4.010 -4.309 -6.244 1.00 0.00 C ATOM 1295 NZ LYS A 85 2.672 -4.647 -6.801 1.00 0.00 N ATOM 0 H LYS A 85 0.699 -3.657 -2.129 1.00 0.00 H new ATOM 0 HA LYS A 85 3.300 -3.124 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.542 -2.976 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.682 -4.495 -3.126 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.123 -3.580 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.577 -1.932 -4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.794 -2.172 -6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.990 -2.774 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.743 -4.282 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.324 -5.092 -5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.300 -5.491 -6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.022 -3.849 -6.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.758 -4.837 -7.820 1.00 0.00 H new ATOM 1309 N MET A 86 3.106 -0.673 -2.083 1.00 0.00 N ATOM 1310 CA MET A 86 2.748 0.734 -2.214 1.00 0.00 C ATOM 1311 C MET A 86 3.943 1.558 -2.683 1.00 0.00 C ATOM 1312 O MET A 86 5.070 1.065 -2.724 1.00 0.00 O ATOM 1313 CB MET A 86 2.232 1.277 -0.880 1.00 0.00 C ATOM 1314 CG MET A 86 3.319 1.444 0.170 1.00 0.00 C ATOM 1315 SD MET A 86 2.923 2.719 1.382 1.00 0.00 S ATOM 1316 CE MET A 86 2.516 4.093 0.307 1.00 0.00 C ATOM 0 H MET A 86 4.110 -0.852 -2.055 1.00 0.00 H new ATOM 0 HA MET A 86 1.958 0.814 -2.961 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.752 2.241 -1.051 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.467 0.603 -0.495 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.472 0.495 0.684 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.259 1.695 -0.322 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.830 5.026 0.775 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.030 3.974 -0.647 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.439 4.116 0.138 1.00 0.00 H new ATOM 1326 N GLN A 87 3.688 2.814 -3.036 1.00 0.00 N ATOM 1327 CA GLN A 87 4.744 3.704 -3.504 1.00 0.00 C ATOM 1328 C GLN A 87 4.269 5.154 -3.513 1.00 0.00 C ATOM 1329 O GLN A 87 3.098 5.432 -3.772 1.00 0.00 O ATOM 1330 CB GLN A 87 5.201 3.296 -4.905 1.00 0.00 C ATOM 1331 CG GLN A 87 5.731 4.456 -5.734 1.00 0.00 C ATOM 1332 CD GLN A 87 4.638 5.170 -6.504 1.00 0.00 C ATOM 1333 OE1 GLN A 87 4.061 6.147 -6.024 1.00 0.00 O ATOM 1334 NE2 GLN A 87 4.346 4.686 -7.706 1.00 0.00 N ATOM 0 H GLN A 87 2.761 3.238 -3.007 1.00 0.00 H new ATOM 0 HA GLN A 87 5.586 3.620 -2.817 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.979 2.537 -4.818 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.365 2.836 -5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.232 5.168 -5.078 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.480 4.085 -6.434 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.849 3.875 -8.065 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.619 5.126 -8.270 1.00 0.00 H new ATOM 1343 N CYS A 88 5.185 6.073 -3.227 1.00 0.00 N ATOM 1344 CA CYS A 88 4.859 7.494 -3.201 1.00 0.00 C ATOM 1345 C CYS A 88 5.180 8.150 -4.540 1.00 0.00 C ATOM 1346 O CYS A 88 5.936 7.605 -5.345 1.00 0.00 O ATOM 1347 CB CYS A 88 5.628 8.194 -2.079 1.00 0.00 C ATOM 1348 SG CYS A 88 7.362 8.525 -2.468 1.00 0.00 S ATOM 0 H CYS A 88 6.158 5.859 -3.010 1.00 0.00 H new ATOM 0 HA CYS A 88 3.789 7.593 -3.016 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.133 9.137 -1.847 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.579 7.578 -1.181 1.00 0.00 H new ATOM 0 HG CYS A 88 7.916 7.445 -2.932 1.00 0.00 H new ATOM 1354 N PHE A 89 4.600 9.323 -4.773 1.00 0.00 N ATOM 1355 CA PHE A 89 4.822 10.053 -6.016 1.00 0.00 C ATOM 1356 C PHE A 89 4.810 11.559 -5.772 1.00 0.00 C ATOM 1357 O PHE A 89 4.169 12.042 -4.840 1.00 0.00 O ATOM 1358 CB PHE A 89 3.754 9.683 -7.047 1.00 0.00 C ATOM 1359 CG PHE A 89 2.395 10.237 -6.728 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.637 9.700 -5.701 1.00 0.00 C ATOM 1361 CD2 PHE A 89 1.876 11.296 -7.456 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.386 10.208 -5.404 1.00 0.00 C ATOM 1363 CE2 PHE A 89 0.627 11.809 -7.163 1.00 0.00 C ATOM 1364 CZ PHE A 89 -0.120 11.263 -6.137 1.00 0.00 C ATOM 0 H PHE A 89 3.973 9.788 -4.117 1.00 0.00 H new ATOM 0 HA PHE A 89 5.802 9.773 -6.402 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.065 10.046 -8.027 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.688 8.597 -7.116 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.028 8.874 -5.125 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.454 11.725 -8.261 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.195 9.780 -4.600 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.235 12.636 -7.736 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.098 11.661 -5.909 1.00 0.00 H new ATOM 1374 N ASN A 90 5.525 12.295 -6.617 1.00 0.00 N ATOM 1375 CA ASN A 90 5.598 13.746 -6.493 1.00 0.00 C ATOM 1376 C ASN A 90 5.920 14.391 -7.838 1.00 0.00 C ATOM 1377 O ASN A 90 6.352 13.717 -8.772 1.00 0.00 O ATOM 1378 CB ASN A 90 6.656 14.138 -5.460 1.00 0.00 C ATOM 1379 CG ASN A 90 8.028 14.324 -6.079 1.00 0.00 C ATOM 1380 OD1 ASN A 90 8.330 13.753 -7.127 1.00 0.00 O ATOM 1381 ND2 ASN A 90 8.865 15.125 -5.431 1.00 0.00 N ATOM 0 H ASN A 90 6.062 11.910 -7.394 1.00 0.00 H new ATOM 0 HA ASN A 90 4.625 14.107 -6.161 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.354 15.063 -4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.709 13.369 -4.689 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.802 15.288 -5.799 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.571 15.577 -4.565 1.00 0.00 H new ATOM 1388 N GLU A 91 5.708 15.700 -7.926 1.00 0.00 N ATOM 1389 CA GLU A 91 5.977 16.436 -9.156 1.00 0.00 C ATOM 1390 C GLU A 91 7.221 15.894 -9.854 1.00 0.00 C ATOM 1391 O GLU A 91 7.305 15.888 -11.081 1.00 0.00 O ATOM 1392 CB GLU A 91 6.155 17.926 -8.857 1.00 0.00 C ATOM 1393 CG GLU A 91 6.703 18.721 -10.031 1.00 0.00 C ATOM 1394 CD GLU A 91 5.650 19.012 -11.081 1.00 0.00 C ATOM 1395 OE1 GLU A 91 4.448 18.973 -10.742 1.00 0.00 O ATOM 1396 OE2 GLU A 91 6.026 19.279 -12.242 1.00 0.00 O ATOM 0 H GLU A 91 5.351 16.273 -7.161 1.00 0.00 H new ATOM 0 HA GLU A 91 5.123 16.306 -9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.194 18.346 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 91 6.827 18.040 -8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.117 19.661 -9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.523 18.168 -10.488 1.00 0.00 H new ATOM 1403 N GLY A 92 8.186 15.438 -9.061 1.00 0.00 N ATOM 1404 CA GLY A 92 9.413 14.900 -9.619 1.00 0.00 C ATOM 1405 C GLY A 92 9.194 13.584 -10.338 1.00 0.00 C ATOM 1406 O GLY A 92 9.743 13.358 -11.416 1.00 0.00 O ATOM 0 H GLY A 92 8.140 15.432 -8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.841 15.623 -10.313 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.140 14.757 -8.820 1.00 0.00 H new ATOM 1410 N GLY A 93 8.391 12.710 -9.739 1.00 0.00 N ATOM 1411 CA GLY A 93 8.118 11.418 -10.342 1.00 0.00 C ATOM 1412 C GLY A 93 7.906 10.329 -9.310 1.00 0.00 C ATOM 1413 O GLY A 93 8.389 10.431 -8.183 1.00 0.00 O ATOM 0 H GLY A 93 7.924 12.873 -8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.232 11.495 -10.972 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.948 11.141 -10.992 1.00 0.00 H new ATOM 1417 N GLU A 94 7.179 9.284 -9.695 1.00 0.00 N ATOM 1418 CA GLU A 94 6.902 8.173 -8.792 1.00 0.00 C ATOM 1419 C GLU A 94 8.198 7.590 -8.234 1.00 0.00 C ATOM 1420 O GLU A 94 9.206 7.507 -8.935 1.00 0.00 O ATOM 1421 CB GLU A 94 6.110 7.083 -9.517 1.00 0.00 C ATOM 1422 CG GLU A 94 4.703 7.508 -9.903 1.00 0.00 C ATOM 1423 CD GLU A 94 4.202 6.803 -11.148 1.00 0.00 C ATOM 1424 OE1 GLU A 94 4.594 7.212 -12.261 1.00 0.00 O ATOM 1425 OE2 GLU A 94 3.418 5.841 -11.009 1.00 0.00 O ATOM 0 H GLU A 94 6.772 9.184 -10.625 1.00 0.00 H new ATOM 0 HA GLU A 94 6.307 8.552 -7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.651 6.789 -10.416 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.052 6.202 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.025 7.301 -9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.685 8.585 -10.068 1.00 0.00 H new ATOM 1432 N SER A 95 8.161 7.188 -6.967 1.00 0.00 N ATOM 1433 CA SER A 95 9.332 6.616 -6.313 1.00 0.00 C ATOM 1434 C SER A 95 9.413 5.113 -6.560 1.00 0.00 C ATOM 1435 O SER A 95 8.605 4.551 -7.298 1.00 0.00 O ATOM 1436 CB SER A 95 9.290 6.897 -4.810 1.00 0.00 C ATOM 1437 OG SER A 95 8.110 6.372 -4.226 1.00 0.00 O ATOM 0 H SER A 95 7.333 7.248 -6.374 1.00 0.00 H new ATOM 0 HA SER A 95 10.220 7.084 -6.738 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.164 6.457 -4.330 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.338 7.972 -4.636 1.00 0.00 H new ATOM 0 HG SER A 95 7.337 6.894 -4.525 1.00 0.00 H new ATOM 1443 N GLU A 96 10.395 4.469 -5.936 1.00 0.00 N ATOM 1444 CA GLU A 96 10.582 3.031 -6.088 1.00 0.00 C ATOM 1445 C GLU A 96 9.367 2.267 -5.572 1.00 0.00 C ATOM 1446 O GLU A 96 8.529 2.819 -4.858 1.00 0.00 O ATOM 1447 CB GLU A 96 11.839 2.576 -5.344 1.00 0.00 C ATOM 1448 CG GLU A 96 13.130 3.091 -5.958 1.00 0.00 C ATOM 1449 CD GLU A 96 13.644 2.197 -7.070 1.00 0.00 C ATOM 1450 OE1 GLU A 96 13.596 0.960 -6.907 1.00 0.00 O ATOM 1451 OE2 GLU A 96 14.094 2.736 -8.103 1.00 0.00 O ATOM 0 H GLU A 96 11.072 4.920 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 96 10.700 2.816 -7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.780 2.912 -4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.865 1.486 -5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.966 4.095 -6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.890 3.172 -5.181 1.00 0.00 H new ATOM 1458 N PHE A 97 9.277 0.992 -5.939 1.00 0.00 N ATOM 1459 CA PHE A 97 8.164 0.151 -5.514 1.00 0.00 C ATOM 1460 C PHE A 97 8.421 -0.433 -4.128 1.00 0.00 C ATOM 1461 O PHE A 97 9.316 -1.259 -3.947 1.00 0.00 O ATOM 1462 CB PHE A 97 7.937 -0.978 -6.522 1.00 0.00 C ATOM 1463 CG PHE A 97 7.210 -0.538 -7.760 1.00 0.00 C ATOM 1464 CD1 PHE A 97 7.814 0.316 -8.668 1.00 0.00 C ATOM 1465 CD2 PHE A 97 5.922 -0.980 -8.017 1.00 0.00 C ATOM 1466 CE1 PHE A 97 7.148 0.722 -9.809 1.00 0.00 C ATOM 1467 CE2 PHE A 97 5.251 -0.578 -9.156 1.00 0.00 C ATOM 1468 CZ PHE A 97 5.864 0.275 -10.053 1.00 0.00 C ATOM 0 H PHE A 97 9.961 0.519 -6.529 1.00 0.00 H new ATOM 0 HA PHE A 97 7.269 0.772 -5.466 1.00 0.00 H new ATOM 0 HB2 PHE A 97 8.901 -1.399 -6.807 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.370 -1.775 -6.041 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.818 0.669 -8.482 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.437 -1.646 -7.319 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.631 1.388 -10.509 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.248 -0.931 -9.345 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.341 0.592 -10.943 1.00 0.00 H new ATOM 1478 N SER A 98 7.631 0.003 -3.153 1.00 0.00 N ATOM 1479 CA SER A 98 7.775 -0.472 -1.782 1.00 0.00 C ATOM 1480 C SER A 98 7.800 -1.997 -1.735 1.00 0.00 C ATOM 1481 O SER A 98 7.356 -2.664 -2.669 1.00 0.00 O ATOM 1482 CB SER A 98 6.633 0.057 -0.913 1.00 0.00 C ATOM 1483 OG SER A 98 6.857 -0.232 0.456 1.00 0.00 O ATOM 0 H SER A 98 6.884 0.685 -3.287 1.00 0.00 H new ATOM 0 HA SER A 98 8.722 -0.098 -1.392 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.537 1.134 -1.049 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.692 -0.390 -1.233 1.00 0.00 H new ATOM 0 HG SER A 98 7.280 0.539 0.888 1.00 0.00 H new ATOM 1489 N ASN A 99 8.322 -2.541 -0.641 1.00 0.00 N ATOM 1490 CA ASN A 99 8.406 -3.987 -0.472 1.00 0.00 C ATOM 1491 C ASN A 99 7.030 -4.632 -0.614 1.00 0.00 C ATOM 1492 O ASN A 99 6.030 -3.946 -0.823 1.00 0.00 O ATOM 1493 CB ASN A 99 9.003 -4.328 0.895 1.00 0.00 C ATOM 1494 CG ASN A 99 8.718 -3.260 1.933 1.00 0.00 C ATOM 1495 OD1 ASN A 99 9.493 -2.318 2.099 1.00 0.00 O ATOM 1496 ND2 ASN A 99 7.601 -3.402 2.637 1.00 0.00 N ATOM 0 H ASN A 99 8.693 -2.003 0.142 1.00 0.00 H new ATOM 0 HA ASN A 99 9.055 -4.382 -1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.599 -5.281 1.237 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.081 -4.456 0.796 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.356 -2.714 3.349 1.00 0.00 H new ATOM 0 HD22 ASN A 99 6.988 -4.199 2.466 1.00 0.00 H new ATOM 1503 N VAL A 100 6.988 -5.956 -0.498 1.00 0.00 N ATOM 1504 CA VAL A 100 5.736 -6.694 -0.611 1.00 0.00 C ATOM 1505 C VAL A 100 5.333 -7.300 0.728 1.00 0.00 C ATOM 1506 O VAL A 100 6.038 -8.148 1.275 1.00 0.00 O ATOM 1507 CB VAL A 100 5.839 -7.816 -1.661 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.519 -8.562 -1.777 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.262 -7.249 -3.008 1.00 0.00 C ATOM 0 H VAL A 100 7.807 -6.539 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 100 4.975 -5.981 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 100 6.601 -8.524 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.611 -9.351 -2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.264 -9.003 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.734 -7.868 -2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.330 -8.056 -3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.526 -6.518 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.234 -6.766 -2.910 1.00 0.00 H new ATOM 1519 N MET A 101 4.192 -6.861 1.251 1.00 0.00 N ATOM 1520 CA MET A 101 3.694 -7.363 2.526 1.00 0.00 C ATOM 1521 C MET A 101 2.478 -8.260 2.319 1.00 0.00 C ATOM 1522 O MET A 101 1.495 -7.856 1.697 1.00 0.00 O ATOM 1523 CB MET A 101 3.331 -6.198 3.450 1.00 0.00 C ATOM 1524 CG MET A 101 4.478 -5.227 3.682 1.00 0.00 C ATOM 1525 SD MET A 101 5.744 -5.897 4.777 1.00 0.00 S ATOM 1526 CE MET A 101 5.098 -5.414 6.376 1.00 0.00 C ATOM 0 H MET A 101 3.596 -6.160 0.812 1.00 0.00 H new ATOM 0 HA MET A 101 4.484 -7.953 2.990 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.487 -5.656 3.023 1.00 0.00 H new ATOM 0 HB3 MET A 101 3.002 -6.595 4.410 1.00 0.00 H new ATOM 0 HG2 MET A 101 4.931 -4.970 2.724 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.086 -4.303 4.108 1.00 0.00 H new ATOM 0 HE1 MET A 101 5.759 -4.674 6.827 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.104 -4.985 6.252 1.00 0.00 H new ATOM 0 HE3 MET A 101 5.038 -6.289 7.023 1.00 0.00 H new ATOM 1536 N ILE A 102 2.551 -9.479 2.844 1.00 0.00 N ATOM 1537 CA ILE A 102 1.456 -10.432 2.717 1.00 0.00 C ATOM 1538 C ILE A 102 0.501 -10.334 3.902 1.00 0.00 C ATOM 1539 O ILE A 102 0.772 -10.872 4.977 1.00 0.00 O ATOM 1540 CB ILE A 102 1.977 -11.877 2.610 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.857 -12.035 1.369 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.814 -12.858 2.569 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.719 -13.278 1.392 1.00 0.00 C ATOM 0 H ILE A 102 3.357 -9.829 3.361 1.00 0.00 H new ATOM 0 HA ILE A 102 0.922 -10.178 1.801 1.00 0.00 H new ATOM 0 HB ILE A 102 2.581 -12.095 3.491 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.221 -12.060 0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.499 -11.159 1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.198 -13.875 2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.223 -12.760 3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.186 -12.642 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.316 -13.324 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.381 -13.246 2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.083 -14.161 1.454 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.616 -9.646 3.699 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.613 -9.478 4.751 1.00 0.00 C ATOM 1557 C CYS A 103 -2.865 -10.294 4.449 1.00 0.00 C ATOM 1558 O CYS A 103 -3.603 -9.992 3.512 1.00 0.00 O ATOM 1559 CB CYS A 103 -1.977 -8.000 4.906 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.782 -7.599 6.475 1.00 0.00 S ATOM 0 H CYS A 103 -0.855 -9.195 2.816 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.184 -9.839 5.686 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -1.071 -7.402 4.812 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.636 -7.711 4.087 1.00 0.00 H new ATOM 0 HG CYS A 103 -2.858 -6.308 6.606 1.00 0.00 H new ATOM 1566 N GLU A 104 -3.097 -11.331 5.249 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.259 -12.192 5.065 1.00 0.00 C ATOM 1568 C GLU A 104 -5.509 -11.555 5.665 1.00 0.00 C ATOM 1569 O GLU A 104 -5.550 -11.239 6.855 1.00 0.00 O ATOM 1570 CB GLU A 104 -4.013 -13.560 5.704 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.851 -14.674 5.098 1.00 0.00 C ATOM 1572 CD GLU A 104 -5.173 -15.770 6.095 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -5.427 -15.445 7.273 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -5.173 -16.954 5.696 1.00 0.00 O ATOM 0 H GLU A 104 -2.496 -11.594 6.030 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.417 -12.322 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.958 -13.814 5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.225 -13.497 6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.780 -14.255 4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.318 -15.104 4.250 1.00 0.00 H new ATOM 1581 N THR A 105 -6.528 -11.368 4.832 1.00 0.00 N ATOM 1582 CA THR A 105 -7.779 -10.767 5.278 1.00 0.00 C ATOM 1583 C THR A 105 -8.468 -11.641 6.321 1.00 0.00 C ATOM 1584 O THR A 105 -8.033 -12.760 6.593 1.00 0.00 O ATOM 1585 CB THR A 105 -8.744 -10.537 4.100 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.726 -11.670 3.224 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.363 -9.284 3.325 1.00 0.00 C ATOM 0 H THR A 105 -6.511 -11.624 3.845 1.00 0.00 H new ATOM 0 HA THR A 105 -7.526 -9.805 5.723 1.00 0.00 H new ATOM 0 HB THR A 105 -9.749 -10.405 4.502 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.552 -11.689 2.696 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.059 -9.142 2.498 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.406 -8.419 3.987 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.351 -9.392 2.934 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.545 -11.123 6.902 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.296 -11.856 7.914 1.00 0.00 C ATOM 1597 C LYS A 106 -11.260 -12.844 7.266 1.00 0.00 C ATOM 1598 O LYS A 106 -11.623 -12.698 6.099 1.00 0.00 O ATOM 1599 CB LYS A 106 -11.069 -10.885 8.808 1.00 0.00 C ATOM 1600 CG LYS A 106 -10.184 -9.872 9.513 1.00 0.00 C ATOM 1601 CD LYS A 106 -9.717 -10.385 10.865 1.00 0.00 C ATOM 1602 CE LYS A 106 -8.382 -9.774 11.263 1.00 0.00 C ATOM 1603 NZ LYS A 106 -7.784 -10.465 12.438 1.00 0.00 N ATOM 0 H LYS A 106 -9.917 -10.198 6.689 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.586 -12.415 8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.804 -10.354 8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.622 -11.454 9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.319 -9.647 8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.732 -8.939 9.646 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.465 -10.151 11.622 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.626 -11.471 10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.693 -9.828 10.421 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.521 -8.718 11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.876 -10.019 12.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.430 -10.392 13.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.628 -11.467 12.209 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.673 -13.850 8.030 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.598 -14.860 7.531 1.00 0.00 C ATOM 1619 C ALA A 107 -14.027 -14.329 7.503 1.00 0.00 C ATOM 1620 O ALA A 107 -14.501 -13.744 8.477 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.516 -16.117 8.384 1.00 0.00 C ATOM 0 H ALA A 107 -11.381 -13.987 8.998 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.311 -15.108 6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.212 -16.863 8.000 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.502 -16.515 8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.775 -15.875 9.415 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.708 -14.536 6.381 1.00 0.00 N ATOM 1628 CA ARG A 108 -16.083 -14.076 6.225 1.00 0.00 C ATOM 1629 C ARG A 108 -17.049 -14.988 6.976 1.00 0.00 C ATOM 1630 O ARG A 108 -18.039 -15.457 6.414 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.461 -14.023 4.744 1.00 0.00 C ATOM 1632 CG ARG A 108 -16.190 -15.320 3.999 1.00 0.00 C ATOM 1633 CD ARG A 108 -17.063 -15.444 2.760 1.00 0.00 C ATOM 1634 NE ARG A 108 -18.331 -16.109 3.049 1.00 0.00 N ATOM 1635 CZ ARG A 108 -18.421 -17.362 3.480 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -17.324 -18.082 3.672 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -19.611 -17.898 3.720 1.00 0.00 N ATOM 0 H ARG A 108 -14.330 -15.019 5.566 1.00 0.00 H new ATOM 0 HA ARG A 108 -16.155 -13.073 6.647 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.520 -13.778 4.657 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -15.906 -13.216 4.265 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -15.140 -15.363 3.711 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -16.374 -16.166 4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -17.258 -14.452 2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -16.527 -16.003 1.993 1.00 0.00 H new ATOM 0 HE ARG A 108 -19.194 -15.583 2.912 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.407 -17.674 3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.397 -19.044 4.003 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -20.457 -17.348 3.573 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -19.679 -18.860 4.051 1.00 0.00 H new