USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 564 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 11 SER OG : rot 170:sc= -1.97! USER MOD Set 1.2: A 65 HIS : no HD1:sc= -0.17 X(o=-2.1,f=-2) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.52) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.0032) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.5!) USER MOD Single : A 49 ASN : amide:sc= 0.0924 X(o=0.092,f=-0.12) USER MOD Single : A 57 THR OG1 : rot 95:sc= 0.122 USER MOD Single : A 59 SER OG : rot -158:sc= 0.0628 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -142:sc= -0.206 (180deg=-1.56) USER MOD Single : A 73 TYR OH : rot -140:sc= -0.0207 USER MOD Single : A 74 SER OG : rot 149:sc= 0.885 USER MOD ----------------------------------------------------------------- ATOM 97 N LYS A 4 6.697 2.700 -0.709 1.00 0.00 N ATOM 98 CA LYS A 4 5.322 2.648 -0.227 1.00 0.00 C ATOM 99 C LYS A 4 4.562 1.493 -0.873 1.00 0.00 C ATOM 100 O LYS A 4 5.022 0.905 -1.853 1.00 0.00 O ATOM 101 CB LYS A 4 4.608 3.969 -0.520 1.00 0.00 C ATOM 102 CG LYS A 4 5.259 5.172 0.140 1.00 0.00 C ATOM 103 CD LYS A 4 4.493 6.451 -0.152 1.00 0.00 C ATOM 104 CE LYS A 4 4.675 7.476 0.959 1.00 0.00 C ATOM 105 NZ LYS A 4 6.030 8.091 0.929 1.00 0.00 N ATOM 0 HA LYS A 4 5.347 2.486 0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.582 4.127 -1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.574 3.896 -0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.308 5.014 1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.285 5.272 -0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.834 6.873 -1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.433 6.223 -0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.920 8.256 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.515 6.997 1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.114 8.783 1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.750 7.350 1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.174 8.570 0.017 1.00 0.00 H new ATOM 119 N LEU A 5 3.397 1.175 -0.319 1.00 0.00 N ATOM 120 CA LEU A 5 2.572 0.091 -0.843 1.00 0.00 C ATOM 121 C LEU A 5 1.259 0.629 -1.401 1.00 0.00 C ATOM 122 O LEU A 5 0.668 1.556 -0.847 1.00 0.00 O ATOM 123 CB LEU A 5 2.291 -0.937 0.254 1.00 0.00 C ATOM 124 CG LEU A 5 3.460 -1.263 1.184 1.00 0.00 C ATOM 125 CD1 LEU A 5 2.972 -2.022 2.408 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.521 -2.066 0.445 1.00 0.00 C ATOM 0 H LEU A 5 3.002 1.651 0.492 1.00 0.00 H new ATOM 0 HA LEU A 5 3.119 -0.392 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.461 -0.574 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.960 -1.862 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 5 3.907 -0.326 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.818 -2.246 3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.249 -1.412 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.499 -2.953 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.346 -2.289 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.086 -2.998 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.892 -1.487 -0.400 1.00 0.00 H new ATOM 138 N TYR A 6 0.805 0.039 -2.502 1.00 0.00 N ATOM 139 CA TYR A 6 -0.439 0.458 -3.137 1.00 0.00 C ATOM 140 C TYR A 6 -1.600 -0.427 -2.695 1.00 0.00 C ATOM 141 O TYR A 6 -1.500 -1.654 -2.706 1.00 0.00 O ATOM 142 CB TYR A 6 -0.299 0.414 -4.659 1.00 0.00 C ATOM 143 CG TYR A 6 -1.622 0.462 -5.390 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.433 -0.664 -5.476 1.00 0.00 C ATOM 145 CD2 TYR A 6 -2.062 1.633 -5.996 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.642 -0.625 -6.143 1.00 0.00 C ATOM 147 CE2 TYR A 6 -3.270 1.681 -6.664 1.00 0.00 C ATOM 148 CZ TYR A 6 -4.056 0.550 -6.735 1.00 0.00 C ATOM 149 OH TYR A 6 -5.260 0.593 -7.401 1.00 0.00 O ATOM 0 H TYR A 6 1.280 -0.731 -2.973 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.649 1.482 -2.828 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.316 1.253 -4.983 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.230 -0.497 -4.941 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.112 -1.585 -5.013 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.449 2.521 -5.944 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.259 -1.509 -6.201 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.597 2.599 -7.128 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.404 1.494 -7.759 1.00 0.00 H new ATOM 159 N ILE A 7 -2.704 0.205 -2.309 1.00 0.00 N ATOM 160 CA ILE A 7 -3.885 -0.524 -1.866 1.00 0.00 C ATOM 161 C ILE A 7 -5.067 -0.275 -2.797 1.00 0.00 C ATOM 162 O ILE A 7 -5.477 0.867 -3.005 1.00 0.00 O ATOM 163 CB ILE A 7 -4.285 -0.131 -0.431 1.00 0.00 C ATOM 164 CG1 ILE A 7 -3.048 -0.066 0.466 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.299 -1.118 0.126 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.358 0.314 1.897 1.00 0.00 C ATOM 0 H ILE A 7 -2.804 1.220 -2.294 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.627 -1.583 -1.885 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.745 0.857 -0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.551 -1.036 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.346 0.657 0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.571 -0.826 1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.189 -1.119 -0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.864 -2.117 0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.434 0.340 2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.828 1.297 1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.036 -0.422 2.330 1.00 0.00 H new ATOM 178 N GLY A 8 -5.612 -1.352 -3.355 1.00 0.00 N ATOM 179 CA GLY A 8 -6.743 -1.229 -4.256 1.00 0.00 C ATOM 180 C GLY A 8 -8.007 -1.844 -3.688 1.00 0.00 C ATOM 181 O GLY A 8 -7.970 -2.514 -2.658 1.00 0.00 O ATOM 0 H GLY A 8 -5.290 -2.307 -3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.920 -0.175 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.503 -1.711 -5.204 1.00 0.00 H new ATOM 185 N ASN A 9 -9.129 -1.615 -4.363 1.00 0.00 N ATOM 186 CA ASN A 9 -10.410 -2.150 -3.918 1.00 0.00 C ATOM 187 C ASN A 9 -10.834 -1.516 -2.597 1.00 0.00 C ATOM 188 O ASN A 9 -11.226 -2.213 -1.659 1.00 0.00 O ATOM 189 CB ASN A 9 -10.327 -3.670 -3.765 1.00 0.00 C ATOM 190 CG ASN A 9 -11.661 -4.349 -4.003 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.930 -4.849 -5.096 1.00 0.00 O ATOM 192 ND2 ASN A 9 -12.506 -4.371 -2.979 1.00 0.00 N ATOM 0 H ASN A 9 -9.177 -1.063 -5.219 1.00 0.00 H new ATOM 0 HA ASN A 9 -11.158 -1.909 -4.673 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.592 -4.063 -4.467 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.973 -3.913 -2.763 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -13.419 -4.814 -3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.242 -3.944 -2.091 1.00 0.00 H new ATOM 199 N LEU A 10 -10.755 -0.193 -2.528 1.00 0.00 N ATOM 200 CA LEU A 10 -11.131 0.536 -1.322 1.00 0.00 C ATOM 201 C LEU A 10 -12.452 1.272 -1.519 1.00 0.00 C ATOM 202 O LEU A 10 -12.524 2.250 -2.264 1.00 0.00 O ATOM 203 CB LEU A 10 -10.033 1.529 -0.939 1.00 0.00 C ATOM 204 CG LEU A 10 -8.730 0.921 -0.417 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.701 2.010 -0.154 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.986 0.110 0.844 1.00 0.00 C ATOM 0 H LEU A 10 -10.433 0.398 -3.294 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.256 -0.187 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.802 2.139 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.428 2.201 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.333 0.251 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.781 1.559 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.495 2.547 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.089 2.706 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.047 -0.315 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.407 0.757 1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.687 -0.695 0.623 1.00 0.00 H new ATOM 218 N SER A 11 -13.495 0.797 -0.846 1.00 0.00 N ATOM 219 CA SER A 11 -14.814 1.408 -0.949 1.00 0.00 C ATOM 220 C SER A 11 -14.732 2.917 -0.738 1.00 0.00 C ATOM 221 O SER A 11 -13.854 3.425 -0.041 1.00 0.00 O ATOM 222 CB SER A 11 -15.768 0.790 0.075 1.00 0.00 C ATOM 223 OG SER A 11 -15.713 1.486 1.308 1.00 0.00 O ATOM 0 H SER A 11 -13.452 -0.010 -0.223 1.00 0.00 H new ATOM 0 HA SER A 11 -15.197 1.219 -1.952 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.786 0.811 -0.313 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.509 -0.257 0.233 1.00 0.00 H new ATOM 0 HG SER A 11 -16.440 1.179 1.889 1.00 0.00 H new ATOM 229 N PRO A 12 -15.668 3.652 -1.355 1.00 0.00 N ATOM 230 CA PRO A 12 -15.725 5.114 -1.251 1.00 0.00 C ATOM 231 C PRO A 12 -16.135 5.580 0.142 1.00 0.00 C ATOM 232 O PRO A 12 -16.232 6.778 0.402 1.00 0.00 O ATOM 233 CB PRO A 12 -16.787 5.503 -2.281 1.00 0.00 C ATOM 234 CG PRO A 12 -17.653 4.297 -2.407 1.00 0.00 C ATOM 235 CD PRO A 12 -16.746 3.114 -2.202 1.00 0.00 C ATOM 0 HA PRO A 12 -14.753 5.574 -1.429 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.360 6.369 -1.951 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.334 5.766 -3.237 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.451 4.310 -1.665 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.129 4.259 -3.387 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.266 2.289 -1.715 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.361 2.734 -3.148 1.00 0.00 H new ATOM 243 N ALA A 13 -16.376 4.624 1.034 1.00 0.00 N ATOM 244 CA ALA A 13 -16.775 4.937 2.400 1.00 0.00 C ATOM 245 C ALA A 13 -15.600 4.793 3.361 1.00 0.00 C ATOM 246 O ALA A 13 -15.668 5.229 4.510 1.00 0.00 O ATOM 247 CB ALA A 13 -17.926 4.040 2.833 1.00 0.00 C ATOM 0 H ALA A 13 -16.302 3.626 0.834 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.108 5.975 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.214 4.285 3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.777 4.195 2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.613 2.997 2.784 1.00 0.00 H new ATOM 253 N VAL A 14 -14.522 4.179 2.883 1.00 0.00 N ATOM 254 CA VAL A 14 -13.331 3.979 3.701 1.00 0.00 C ATOM 255 C VAL A 14 -12.635 5.304 3.992 1.00 0.00 C ATOM 256 O VAL A 14 -12.445 6.128 3.098 1.00 0.00 O ATOM 257 CB VAL A 14 -12.333 3.028 3.014 1.00 0.00 C ATOM 258 CG1 VAL A 14 -11.051 2.922 3.825 1.00 0.00 C ATOM 259 CG2 VAL A 14 -12.960 1.656 2.809 1.00 0.00 C ATOM 0 H VAL A 14 -14.449 3.812 1.934 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.662 3.532 4.639 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.082 3.437 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.358 2.246 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.595 3.908 3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.280 2.536 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.241 0.997 2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.241 1.237 3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.847 1.751 2.183 1.00 0.00 H new ATOM 269 N THR A 15 -12.257 5.503 5.251 1.00 0.00 N ATOM 270 CA THR A 15 -11.582 6.728 5.661 1.00 0.00 C ATOM 271 C THR A 15 -10.180 6.434 6.185 1.00 0.00 C ATOM 272 O THR A 15 -9.866 5.299 6.540 1.00 0.00 O ATOM 273 CB THR A 15 -12.380 7.470 6.751 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.671 6.582 7.836 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.676 8.030 6.185 1.00 0.00 C ATOM 0 H THR A 15 -12.407 4.832 6.004 1.00 0.00 H new ATOM 0 HA THR A 15 -11.511 7.362 4.777 1.00 0.00 H new ATOM 0 HB THR A 15 -11.773 8.299 7.114 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.177 7.062 8.525 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.222 8.549 6.972 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.449 8.728 5.379 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.286 7.214 5.797 1.00 0.00 H new ATOM 283 N ALA A 16 -9.343 7.465 6.231 1.00 0.00 N ATOM 284 CA ALA A 16 -7.976 7.319 6.714 1.00 0.00 C ATOM 285 C ALA A 16 -7.946 6.646 8.082 1.00 0.00 C ATOM 286 O ALA A 16 -7.064 5.836 8.367 1.00 0.00 O ATOM 287 CB ALA A 16 -7.290 8.675 6.775 1.00 0.00 C ATOM 0 H ALA A 16 -9.588 8.411 5.939 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.435 6.682 6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.270 8.551 7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.270 9.118 5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.838 9.330 7.452 1.00 0.00 H new ATOM 293 N ASP A 17 -8.915 6.987 8.925 1.00 0.00 N ATOM 294 CA ASP A 17 -9.000 6.416 10.263 1.00 0.00 C ATOM 295 C ASP A 17 -9.190 4.903 10.198 1.00 0.00 C ATOM 296 O ASP A 17 -8.582 4.158 10.966 1.00 0.00 O ATOM 297 CB ASP A 17 -10.153 7.053 11.041 1.00 0.00 C ATOM 298 CG ASP A 17 -10.101 8.568 11.012 1.00 0.00 C ATOM 299 OD1 ASP A 17 -8.991 9.126 11.127 1.00 0.00 O ATOM 300 OD2 ASP A 17 -11.173 9.196 10.874 1.00 0.00 O ATOM 0 H ASP A 17 -9.652 7.656 8.705 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.063 6.625 10.780 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.101 6.716 10.621 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.123 6.711 12.075 1.00 0.00 H new ATOM 305 N ASP A 18 -10.036 4.458 9.275 1.00 0.00 N ATOM 306 CA ASP A 18 -10.306 3.034 9.110 1.00 0.00 C ATOM 307 C ASP A 18 -9.044 2.287 8.691 1.00 0.00 C ATOM 308 O ASP A 18 -8.744 1.212 9.213 1.00 0.00 O ATOM 309 CB ASP A 18 -11.409 2.820 8.072 1.00 0.00 C ATOM 310 CG ASP A 18 -12.787 3.137 8.617 1.00 0.00 C ATOM 311 OD1 ASP A 18 -13.082 2.730 9.760 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.571 3.794 7.901 1.00 0.00 O ATOM 0 H ASP A 18 -10.546 5.062 8.630 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.639 2.638 10.070 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.212 3.447 7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.386 1.785 7.730 1.00 0.00 H new ATOM 317 N LEU A 19 -8.308 2.862 7.747 1.00 0.00 N ATOM 318 CA LEU A 19 -7.078 2.250 7.257 1.00 0.00 C ATOM 319 C LEU A 19 -6.078 2.052 8.393 1.00 0.00 C ATOM 320 O LEU A 19 -5.498 0.977 8.541 1.00 0.00 O ATOM 321 CB LEU A 19 -6.456 3.116 6.160 1.00 0.00 C ATOM 322 CG LEU A 19 -6.857 2.772 4.725 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.100 3.644 3.736 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.606 1.298 4.440 1.00 0.00 C ATOM 0 H LEU A 19 -8.541 3.751 7.305 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.327 1.273 6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.722 4.156 6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.371 3.045 6.240 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.923 2.968 4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.398 3.385 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.330 4.693 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.029 3.480 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.897 1.071 3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.547 1.077 4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.194 0.689 5.127 1.00 0.00 H new ATOM 336 N ARG A 20 -5.885 3.096 9.192 1.00 0.00 N ATOM 337 CA ARG A 20 -4.957 3.036 10.315 1.00 0.00 C ATOM 338 C ARG A 20 -5.443 2.049 11.371 1.00 0.00 C ATOM 339 O ARG A 20 -4.666 1.249 11.892 1.00 0.00 O ATOM 340 CB ARG A 20 -4.787 4.423 10.939 1.00 0.00 C ATOM 341 CG ARG A 20 -3.853 5.331 10.156 1.00 0.00 C ATOM 342 CD ARG A 20 -3.903 6.761 10.673 1.00 0.00 C ATOM 343 NE ARG A 20 -2.759 7.548 10.221 1.00 0.00 N ATOM 344 CZ ARG A 20 -2.420 8.721 10.745 1.00 0.00 C ATOM 345 NH1 ARG A 20 -3.135 9.239 11.735 1.00 0.00 N ATOM 346 NH2 ARG A 20 -1.365 9.376 10.280 1.00 0.00 N ATOM 0 H ARG A 20 -6.358 3.993 9.083 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.993 2.693 9.938 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.764 4.900 11.016 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.406 4.312 11.954 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.833 4.953 10.226 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.127 5.314 9.101 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.825 7.236 10.337 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.928 6.752 11.763 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.189 7.177 9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.946 8.737 12.095 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.873 10.140 12.136 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.813 8.979 9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.105 10.276 10.683 1.00 0.00 H new ATOM 360 N GLN A 21 -6.735 2.111 11.682 1.00 0.00 N ATOM 361 CA GLN A 21 -7.324 1.222 12.677 1.00 0.00 C ATOM 362 C GLN A 21 -7.275 -0.228 12.209 1.00 0.00 C ATOM 363 O GLN A 21 -7.107 -1.145 13.013 1.00 0.00 O ATOM 364 CB GLN A 21 -8.771 1.630 12.961 1.00 0.00 C ATOM 365 CG GLN A 21 -8.903 3.015 13.575 1.00 0.00 C ATOM 366 CD GLN A 21 -8.860 2.987 15.090 1.00 0.00 C ATOM 367 OE1 GLN A 21 -9.890 3.103 15.754 1.00 0.00 O ATOM 368 NE2 GLN A 21 -7.664 2.834 15.646 1.00 0.00 N ATOM 0 H GLN A 21 -7.392 2.767 11.260 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.742 1.308 13.595 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.338 1.599 12.031 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.221 0.899 13.633 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.099 3.651 13.204 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.841 3.465 13.250 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.836 2.741 15.057 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.573 2.809 16.662 1.00 0.00 H new ATOM 377 N LEU A 22 -7.423 -0.429 10.904 1.00 0.00 N ATOM 378 CA LEU A 22 -7.394 -1.769 10.328 1.00 0.00 C ATOM 379 C LEU A 22 -6.019 -2.405 10.497 1.00 0.00 C ATOM 380 O LEU A 22 -5.903 -3.561 10.906 1.00 0.00 O ATOM 381 CB LEU A 22 -7.767 -1.716 8.845 1.00 0.00 C ATOM 382 CG LEU A 22 -7.798 -3.059 8.113 1.00 0.00 C ATOM 383 CD1 LEU A 22 -9.009 -3.872 8.541 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.802 -2.843 6.607 1.00 0.00 C ATOM 0 H LEU A 22 -7.564 0.319 10.225 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.124 -2.382 10.858 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.749 -1.252 8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.058 -1.063 8.336 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.900 -3.618 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.014 -4.824 8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.963 -4.056 9.614 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.919 -3.320 8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.824 -3.808 6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.682 -2.265 6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.903 -2.301 6.315 1.00 0.00 H new ATOM 396 N PHE A 23 -4.977 -1.644 10.179 1.00 0.00 N ATOM 397 CA PHE A 23 -3.608 -2.133 10.296 1.00 0.00 C ATOM 398 C PHE A 23 -3.242 -2.382 11.756 1.00 0.00 C ATOM 399 O PHE A 23 -2.602 -3.379 12.086 1.00 0.00 O ATOM 400 CB PHE A 23 -2.631 -1.130 9.678 1.00 0.00 C ATOM 401 CG PHE A 23 -2.379 -1.363 8.215 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.353 -1.070 7.275 1.00 0.00 C ATOM 403 CD2 PHE A 23 -1.166 -1.876 7.781 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.123 -1.283 5.928 1.00 0.00 C ATOM 405 CE2 PHE A 23 -0.932 -2.090 6.436 1.00 0.00 C ATOM 406 CZ PHE A 23 -1.912 -1.794 5.509 1.00 0.00 C ATOM 0 H PHE A 23 -5.055 -0.686 9.838 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.539 -3.077 9.756 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.022 -0.122 9.815 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.683 -1.180 10.214 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.303 -0.671 7.598 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.396 -2.111 8.501 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.891 -1.050 5.205 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.017 -2.489 6.110 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.731 -1.962 4.458 1.00 0.00 H new ATOM 416 N GLY A 24 -3.655 -1.466 12.628 1.00 0.00 N ATOM 417 CA GLY A 24 -3.362 -1.604 14.043 1.00 0.00 C ATOM 418 C GLY A 24 -4.062 -2.794 14.667 1.00 0.00 C ATOM 419 O GLY A 24 -3.539 -3.416 15.593 1.00 0.00 O ATOM 0 H GLY A 24 -4.187 -0.632 12.380 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.286 -1.707 14.179 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.664 -0.695 14.564 1.00 0.00 H new ATOM 423 N ASP A 25 -5.249 -3.113 14.161 1.00 0.00 N ATOM 424 CA ASP A 25 -6.022 -4.237 14.675 1.00 0.00 C ATOM 425 C ASP A 25 -5.292 -5.555 14.434 1.00 0.00 C ATOM 426 O ASP A 25 -5.410 -6.494 15.220 1.00 0.00 O ATOM 427 CB ASP A 25 -7.403 -4.276 14.020 1.00 0.00 C ATOM 428 CG ASP A 25 -8.240 -5.445 14.502 1.00 0.00 C ATOM 429 OD1 ASP A 25 -8.957 -5.284 15.512 1.00 0.00 O ATOM 430 OD2 ASP A 25 -8.178 -6.520 13.870 1.00 0.00 O ATOM 0 H ASP A 25 -5.696 -2.609 13.395 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.143 -4.102 15.750 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.929 -3.345 14.232 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.287 -4.338 12.938 1.00 0.00 H new ATOM 435 N ARG A 26 -4.541 -5.617 13.339 1.00 0.00 N ATOM 436 CA ARG A 26 -3.794 -6.820 12.993 1.00 0.00 C ATOM 437 C ARG A 26 -2.398 -6.790 13.608 1.00 0.00 C ATOM 438 O ARG A 26 -1.495 -7.499 13.161 1.00 0.00 O ATOM 439 CB ARG A 26 -3.691 -6.961 11.472 1.00 0.00 C ATOM 440 CG ARG A 26 -4.838 -7.741 10.853 1.00 0.00 C ATOM 441 CD ARG A 26 -4.564 -9.237 10.861 1.00 0.00 C ATOM 442 NE ARG A 26 -5.042 -9.876 12.084 1.00 0.00 N ATOM 443 CZ ARG A 26 -4.812 -11.148 12.387 1.00 0.00 C ATOM 444 NH1 ARG A 26 -4.115 -11.915 11.560 1.00 0.00 N ATOM 445 NH2 ARG A 26 -5.280 -11.657 13.520 1.00 0.00 N ATOM 0 H ARG A 26 -4.434 -4.849 12.677 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.330 -7.679 13.396 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.656 -5.967 11.025 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.752 -7.455 11.224 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.757 -7.536 11.402 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.997 -7.405 9.828 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.046 -9.698 9.999 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.493 -9.410 10.757 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.582 -9.314 12.742 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.754 -11.528 10.688 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.940 -12.892 11.796 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.817 -11.071 14.159 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.103 -12.634 13.752 1.00 0.00 H new ATOM 459 N LYS A 27 -2.228 -5.966 14.636 1.00 0.00 N ATOM 460 CA LYS A 27 -0.943 -5.843 15.314 1.00 0.00 C ATOM 461 C LYS A 27 0.136 -5.359 14.351 1.00 0.00 C ATOM 462 O LYS A 27 1.314 -5.680 14.512 1.00 0.00 O ATOM 463 CB LYS A 27 -0.534 -7.187 15.922 1.00 0.00 C ATOM 464 CG LYS A 27 -1.043 -7.394 17.338 1.00 0.00 C ATOM 465 CD LYS A 27 -0.278 -6.539 18.336 1.00 0.00 C ATOM 466 CE LYS A 27 -0.812 -6.720 19.748 1.00 0.00 C ATOM 467 NZ LYS A 27 -2.021 -5.884 19.995 1.00 0.00 N ATOM 0 H LYS A 27 -2.965 -5.373 15.018 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.050 -5.108 16.111 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.908 -7.992 15.289 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.554 -7.261 15.921 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.104 -7.148 17.384 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.948 -8.445 17.610 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.779 -6.804 18.309 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.351 -5.490 18.050 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.056 -7.769 19.912 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.036 -6.457 20.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.355 -6.035 20.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.782 -4.880 19.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.771 -6.152 19.326 1.00 0.00 H new ATOM 481 N LEU A 28 -0.272 -4.584 13.352 1.00 0.00 N ATOM 482 CA LEU A 28 0.660 -4.054 12.364 1.00 0.00 C ATOM 483 C LEU A 28 0.601 -2.531 12.322 1.00 0.00 C ATOM 484 O LEU A 28 -0.049 -1.934 11.465 1.00 0.00 O ATOM 485 CB LEU A 28 0.348 -4.626 10.980 1.00 0.00 C ATOM 486 CG LEU A 28 0.627 -6.117 10.790 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.226 -6.682 9.666 1.00 0.00 C ATOM 488 CD2 LEU A 28 2.105 -6.351 10.511 1.00 0.00 C ATOM 0 H LEU A 28 -1.243 -4.309 13.205 1.00 0.00 H new ATOM 0 HA LEU A 28 1.667 -4.353 12.655 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.704 -4.443 10.763 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.927 -4.072 10.241 1.00 0.00 H new ATOM 0 HG LEU A 28 0.365 -6.636 11.712 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.013 -7.744 9.546 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.281 -6.548 9.907 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.003 -6.159 8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.286 -7.418 10.378 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.393 -5.819 9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.696 -5.984 11.350 1.00 0.00 H new ATOM 500 N PRO A 29 1.300 -1.885 13.269 1.00 0.00 N ATOM 501 CA PRO A 29 1.345 -0.423 13.360 1.00 0.00 C ATOM 502 C PRO A 29 2.131 0.205 12.214 1.00 0.00 C ATOM 503 O PRO A 29 3.167 -0.316 11.799 1.00 0.00 O ATOM 504 CB PRO A 29 2.053 -0.173 14.694 1.00 0.00 C ATOM 505 CG PRO A 29 2.875 -1.394 14.922 1.00 0.00 C ATOM 506 CD PRO A 29 2.098 -2.534 14.322 1.00 0.00 C ATOM 0 HA PRO A 29 0.351 0.020 13.299 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.676 0.721 14.650 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.336 -0.023 15.501 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.854 -1.299 14.452 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.047 -1.556 15.986 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.758 -3.299 13.912 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.465 -3.023 15.063 1.00 0.00 H new ATOM 514 N LEU A 30 1.633 1.327 11.706 1.00 0.00 N ATOM 515 CA LEU A 30 2.289 2.027 10.607 1.00 0.00 C ATOM 516 C LEU A 30 3.337 3.003 11.133 1.00 0.00 C ATOM 517 O LEU A 30 3.005 3.997 11.780 1.00 0.00 O ATOM 518 CB LEU A 30 1.255 2.775 9.764 1.00 0.00 C ATOM 519 CG LEU A 30 0.065 1.950 9.274 1.00 0.00 C ATOM 520 CD1 LEU A 30 -1.166 2.829 9.120 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.399 1.262 7.958 1.00 0.00 C ATOM 0 H LEU A 30 0.777 1.772 12.038 1.00 0.00 H new ATOM 0 HA LEU A 30 2.790 1.287 9.983 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.875 3.612 10.350 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.761 3.198 8.896 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.152 1.183 10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.003 2.225 8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.417 3.275 10.082 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.961 3.618 8.397 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.459 0.679 7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.642 2.013 7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.254 0.600 8.100 1.00 0.00 H new ATOM 533 N ALA A 31 4.602 2.716 10.847 1.00 0.00 N ATOM 534 CA ALA A 31 5.698 3.571 11.288 1.00 0.00 C ATOM 535 C ALA A 31 6.098 4.556 10.195 1.00 0.00 C ATOM 536 O ALA A 31 7.265 4.928 10.077 1.00 0.00 O ATOM 537 CB ALA A 31 6.893 2.726 11.702 1.00 0.00 C ATOM 0 H ALA A 31 4.894 1.898 10.312 1.00 0.00 H new ATOM 0 HA ALA A 31 5.356 4.143 12.150 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.704 3.377 12.029 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.606 2.066 12.520 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.227 2.128 10.854 1.00 0.00 H new ATOM 543 N GLY A 32 5.121 4.976 9.396 1.00 0.00 N ATOM 544 CA GLY A 32 5.392 5.914 8.323 1.00 0.00 C ATOM 545 C GLY A 32 4.236 6.861 8.074 1.00 0.00 C ATOM 546 O GLY A 32 3.647 7.391 9.016 1.00 0.00 O ATOM 0 H GLY A 32 4.147 4.683 9.473 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.284 6.491 8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.609 5.362 7.408 1.00 0.00 H new ATOM 550 N GLN A 33 3.910 7.075 6.803 1.00 0.00 N ATOM 551 CA GLN A 33 2.817 7.967 6.435 1.00 0.00 C ATOM 552 C GLN A 33 1.714 7.205 5.707 1.00 0.00 C ATOM 553 O GLN A 33 1.962 6.166 5.095 1.00 0.00 O ATOM 554 CB GLN A 33 3.334 9.104 5.553 1.00 0.00 C ATOM 555 CG GLN A 33 2.264 10.116 5.177 1.00 0.00 C ATOM 556 CD GLN A 33 2.846 11.397 4.609 1.00 0.00 C ATOM 557 OE1 GLN A 33 2.508 11.808 3.499 1.00 0.00 O ATOM 558 NE2 GLN A 33 3.726 12.035 5.372 1.00 0.00 N ATOM 0 H GLN A 33 4.387 6.643 6.012 1.00 0.00 H new ATOM 0 HA GLN A 33 2.400 8.387 7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.142 9.618 6.074 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.759 8.682 4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.590 9.671 4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.667 10.352 6.058 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.977 11.658 6.286 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.151 12.902 5.044 1.00 0.00 H new ATOM 567 N VAL A 34 0.494 7.728 5.779 1.00 0.00 N ATOM 568 CA VAL A 34 -0.648 7.096 5.127 1.00 0.00 C ATOM 569 C VAL A 34 -1.312 8.050 4.139 1.00 0.00 C ATOM 570 O VAL A 34 -1.449 9.244 4.408 1.00 0.00 O ATOM 571 CB VAL A 34 -1.694 6.630 6.155 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.879 5.980 5.455 1.00 0.00 C ATOM 573 CG2 VAL A 34 -1.066 5.673 7.158 1.00 0.00 C ATOM 0 H VAL A 34 0.271 8.587 6.282 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.266 6.228 4.590 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.058 7.502 6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.608 5.657 6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.343 6.700 4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.536 5.117 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.820 5.354 7.877 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.673 4.802 6.633 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.254 6.177 7.683 1.00 0.00 H new ATOM 583 N LEU A 35 -1.722 7.514 2.994 1.00 0.00 N ATOM 584 CA LEU A 35 -2.372 8.317 1.964 1.00 0.00 C ATOM 585 C LEU A 35 -3.681 7.673 1.519 1.00 0.00 C ATOM 586 O LEU A 35 -3.748 6.462 1.304 1.00 0.00 O ATOM 587 CB LEU A 35 -1.442 8.492 0.763 1.00 0.00 C ATOM 588 CG LEU A 35 -1.585 9.804 -0.010 1.00 0.00 C ATOM 589 CD1 LEU A 35 -0.631 10.854 0.541 1.00 0.00 C ATOM 590 CD2 LEU A 35 -1.333 9.579 -1.493 1.00 0.00 C ATOM 0 H LEU A 35 -1.616 6.528 2.756 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.595 9.296 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.412 8.409 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.613 7.666 0.073 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.605 10.168 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.746 11.781 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.857 11.036 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.395 10.498 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.439 10.523 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.324 9.192 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.055 8.860 -1.880 1.00 0.00 H new ATOM 602 N LEU A 36 -4.719 8.490 1.379 1.00 0.00 N ATOM 603 CA LEU A 36 -6.027 8.001 0.956 1.00 0.00 C ATOM 604 C LEU A 36 -6.401 8.561 -0.412 1.00 0.00 C ATOM 605 O LEU A 36 -6.597 9.767 -0.570 1.00 0.00 O ATOM 606 CB LEU A 36 -7.093 8.382 1.984 1.00 0.00 C ATOM 607 CG LEU A 36 -8.540 8.077 1.595 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.714 6.595 1.304 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.493 8.522 2.695 1.00 0.00 C ATOM 0 H LEU A 36 -4.681 9.494 1.552 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.975 6.915 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.872 7.863 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.009 9.450 2.186 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.777 8.634 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.750 6.397 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.059 6.306 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.458 6.017 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.518 8.297 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.256 7.993 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.388 9.595 2.855 1.00 0.00 H new ATOM 621 N LYS A 37 -6.500 7.678 -1.401 1.00 0.00 N ATOM 622 CA LYS A 37 -6.854 8.082 -2.756 1.00 0.00 C ATOM 623 C LYS A 37 -8.249 7.586 -3.125 1.00 0.00 C ATOM 624 O LYS A 37 -8.758 6.636 -2.530 1.00 0.00 O ATOM 625 CB LYS A 37 -5.829 7.543 -3.756 1.00 0.00 C ATOM 626 CG LYS A 37 -4.493 8.263 -3.704 1.00 0.00 C ATOM 627 CD LYS A 37 -4.509 9.528 -4.545 1.00 0.00 C ATOM 628 CE LYS A 37 -3.113 10.117 -4.693 1.00 0.00 C ATOM 629 NZ LYS A 37 -3.145 11.466 -5.321 1.00 0.00 N ATOM 0 H LYS A 37 -6.340 6.677 -1.288 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.852 9.171 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.668 6.482 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.238 7.626 -4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.254 8.515 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.706 7.598 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.918 9.306 -5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.169 10.264 -4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.641 10.184 -3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.499 9.449 -5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.176 11.833 -5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.572 11.399 -6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.710 12.110 -4.731 1.00 0.00 H new ATOM 643 N SER A 38 -8.862 8.235 -4.110 1.00 0.00 N ATOM 644 CA SER A 38 -10.199 7.861 -4.556 1.00 0.00 C ATOM 645 C SER A 38 -10.176 6.513 -5.269 1.00 0.00 C ATOM 646 O SER A 38 -10.091 6.447 -6.495 1.00 0.00 O ATOM 647 CB SER A 38 -10.767 8.934 -5.487 1.00 0.00 C ATOM 648 OG SER A 38 -11.253 10.042 -4.751 1.00 0.00 O ATOM 0 H SER A 38 -8.454 9.022 -4.614 1.00 0.00 H new ATOM 0 HA SER A 38 -10.839 7.777 -3.677 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.994 9.265 -6.180 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.573 8.510 -6.087 1.00 0.00 H new ATOM 0 HG SER A 38 -11.609 10.714 -5.369 1.00 0.00 H new ATOM 654 N GLY A 39 -10.252 5.437 -4.491 1.00 0.00 N ATOM 655 CA GLY A 39 -10.239 4.105 -5.064 1.00 0.00 C ATOM 656 C GLY A 39 -9.021 3.304 -4.643 1.00 0.00 C ATOM 657 O GLY A 39 -8.932 2.107 -4.916 1.00 0.00 O ATOM 0 H GLY A 39 -10.322 5.465 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.142 3.574 -4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.263 4.180 -6.151 1.00 0.00 H new ATOM 661 N TYR A 40 -8.080 3.967 -3.980 1.00 0.00 N ATOM 662 CA TYR A 40 -6.860 3.312 -3.526 1.00 0.00 C ATOM 663 C TYR A 40 -6.241 4.066 -2.354 1.00 0.00 C ATOM 664 O TYR A 40 -6.745 5.108 -1.935 1.00 0.00 O ATOM 665 CB TYR A 40 -5.853 3.211 -4.672 1.00 0.00 C ATOM 666 CG TYR A 40 -5.752 4.471 -5.502 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.764 4.827 -6.385 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.645 5.305 -5.403 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.676 5.977 -7.145 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.549 6.458 -6.158 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.566 6.789 -7.028 1.00 0.00 C ATOM 672 OH TYR A 40 -5.476 7.936 -7.784 1.00 0.00 O ATOM 0 H TYR A 40 -8.139 4.958 -3.745 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.120 2.308 -3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.871 2.976 -4.262 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.134 2.381 -5.320 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.634 4.194 -6.479 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.846 5.047 -4.724 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.471 6.239 -7.827 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.682 7.096 -6.067 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.634 8.395 -7.583 1.00 0.00 H new ATOM 682 N ALA A 41 -5.143 3.533 -1.829 1.00 0.00 N ATOM 683 CA ALA A 41 -4.452 4.156 -0.707 1.00 0.00 C ATOM 684 C ALA A 41 -2.982 3.750 -0.674 1.00 0.00 C ATOM 685 O ALA A 41 -2.625 2.637 -1.062 1.00 0.00 O ATOM 686 CB ALA A 41 -5.132 3.787 0.603 1.00 0.00 C ATOM 0 H ALA A 41 -4.713 2.671 -2.163 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.501 5.237 -0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.605 4.259 1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.166 4.132 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.113 2.705 0.731 1.00 0.00 H new ATOM 692 N PHE A 42 -2.132 4.659 -0.208 1.00 0.00 N ATOM 693 CA PHE A 42 -0.700 4.396 -0.125 1.00 0.00 C ATOM 694 C PHE A 42 -0.236 4.364 1.327 1.00 0.00 C ATOM 695 O PHE A 42 -0.668 5.175 2.147 1.00 0.00 O ATOM 696 CB PHE A 42 0.081 5.461 -0.899 1.00 0.00 C ATOM 697 CG PHE A 42 -0.179 5.438 -2.378 1.00 0.00 C ATOM 698 CD1 PHE A 42 0.204 4.350 -3.146 1.00 0.00 C ATOM 699 CD2 PHE A 42 -0.807 6.504 -3.000 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.032 4.327 -4.507 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.047 6.487 -4.362 1.00 0.00 C ATOM 702 CZ PHE A 42 -0.661 5.397 -5.116 1.00 0.00 C ATOM 0 H PHE A 42 -2.410 5.585 0.118 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.509 3.420 -0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.177 6.445 -0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.147 5.318 -0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.693 3.510 -2.675 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.113 7.359 -2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.274 3.474 -5.095 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.536 7.326 -4.835 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.850 5.380 -6.179 1.00 0.00 H new ATOM 712 N VAL A 43 0.648 3.421 1.640 1.00 0.00 N ATOM 713 CA VAL A 43 1.172 3.282 2.993 1.00 0.00 C ATOM 714 C VAL A 43 2.681 3.065 2.978 1.00 0.00 C ATOM 715 O VAL A 43 3.208 2.356 2.121 1.00 0.00 O ATOM 716 CB VAL A 43 0.504 2.112 3.737 1.00 0.00 C ATOM 717 CG1 VAL A 43 -0.969 2.404 3.978 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.679 0.816 2.958 1.00 0.00 C ATOM 0 H VAL A 43 1.016 2.742 0.974 1.00 0.00 H new ATOM 0 HA VAL A 43 0.946 4.211 3.516 1.00 0.00 H new ATOM 0 HB VAL A 43 0.990 1.995 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.425 1.566 4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.067 3.308 4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.472 2.548 3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.201 -0.001 3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.220 0.918 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.741 0.602 2.843 1.00 0.00 H new ATOM 728 N ASP A 44 3.371 3.681 3.932 1.00 0.00 N ATOM 729 CA ASP A 44 4.821 3.554 4.030 1.00 0.00 C ATOM 730 C ASP A 44 5.205 2.497 5.062 1.00 0.00 C ATOM 731 O ASP A 44 4.816 2.582 6.227 1.00 0.00 O ATOM 732 CB ASP A 44 5.448 4.898 4.401 1.00 0.00 C ATOM 733 CG ASP A 44 6.932 4.947 4.097 1.00 0.00 C ATOM 734 OD1 ASP A 44 7.634 3.959 4.399 1.00 0.00 O ATOM 735 OD2 ASP A 44 7.394 5.975 3.556 1.00 0.00 O ATOM 0 H ASP A 44 2.950 4.273 4.648 1.00 0.00 H new ATOM 0 HA ASP A 44 5.200 3.241 3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.942 5.695 3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.291 5.088 5.463 1.00 0.00 H new ATOM 740 N TYR A 45 5.970 1.503 4.626 1.00 0.00 N ATOM 741 CA TYR A 45 6.404 0.428 5.511 1.00 0.00 C ATOM 742 C TYR A 45 7.787 0.719 6.084 1.00 0.00 C ATOM 743 O TYR A 45 8.657 1.283 5.420 1.00 0.00 O ATOM 744 CB TYR A 45 6.421 -0.904 4.759 1.00 0.00 C ATOM 745 CG TYR A 45 7.342 -0.911 3.559 1.00 0.00 C ATOM 746 CD1 TYR A 45 6.882 -0.534 2.304 1.00 0.00 C ATOM 747 CD2 TYR A 45 8.672 -1.294 3.681 1.00 0.00 C ATOM 748 CE1 TYR A 45 7.720 -0.538 1.205 1.00 0.00 C ATOM 749 CE2 TYR A 45 9.517 -1.301 2.589 1.00 0.00 C ATOM 750 CZ TYR A 45 9.036 -0.922 1.352 1.00 0.00 C ATOM 751 OH TYR A 45 9.874 -0.929 0.261 1.00 0.00 O ATOM 0 H TYR A 45 6.303 1.419 3.665 1.00 0.00 H new ATOM 0 HA TYR A 45 5.695 0.363 6.337 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.725 -1.695 5.445 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.409 -1.139 4.431 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.852 -0.233 2.185 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.052 -1.592 4.647 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.346 -0.242 0.236 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.548 -1.601 2.702 1.00 0.00 H new ATOM 0 HH TYR A 45 10.767 -1.224 0.536 1.00 0.00 H new ATOM 761 N PRO A 46 7.998 0.326 7.348 1.00 0.00 N ATOM 762 CA PRO A 46 9.273 0.532 8.040 1.00 0.00 C ATOM 763 C PRO A 46 10.386 -0.346 7.478 1.00 0.00 C ATOM 764 O PRO A 46 11.479 0.135 7.181 1.00 0.00 O ATOM 765 CB PRO A 46 8.960 0.139 9.487 1.00 0.00 C ATOM 766 CG PRO A 46 7.816 -0.809 9.382 1.00 0.00 C ATOM 767 CD PRO A 46 7.006 -0.352 8.201 1.00 0.00 C ATOM 0 HA PRO A 46 9.635 1.554 7.931 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.820 -0.330 9.965 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.698 1.011 10.086 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.168 -1.831 9.242 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.217 -0.800 10.293 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.539 -1.191 7.685 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.205 0.324 8.501 1.00 0.00 H new ATOM 775 N ASP A 47 10.101 -1.635 7.337 1.00 0.00 N ATOM 776 CA ASP A 47 11.078 -2.581 6.810 1.00 0.00 C ATOM 777 C ASP A 47 10.445 -3.485 5.756 1.00 0.00 C ATOM 778 O ASP A 47 9.242 -3.741 5.787 1.00 0.00 O ATOM 779 CB ASP A 47 11.663 -3.427 7.941 1.00 0.00 C ATOM 780 CG ASP A 47 12.874 -4.226 7.500 1.00 0.00 C ATOM 781 OD1 ASP A 47 13.695 -3.683 6.731 1.00 0.00 O ATOM 782 OD2 ASP A 47 13.001 -5.394 7.923 1.00 0.00 O ATOM 0 H ASP A 47 9.201 -2.050 7.580 1.00 0.00 H new ATOM 0 HA ASP A 47 11.881 -2.012 6.341 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.943 -2.777 8.770 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.898 -4.108 8.314 1.00 0.00 H new ATOM 787 N GLN A 48 11.264 -3.964 4.826 1.00 0.00 N ATOM 788 CA GLN A 48 10.783 -4.838 3.761 1.00 0.00 C ATOM 789 C GLN A 48 10.062 -6.051 4.339 1.00 0.00 C ATOM 790 O GLN A 48 9.052 -6.501 3.797 1.00 0.00 O ATOM 791 CB GLN A 48 11.949 -5.295 2.882 1.00 0.00 C ATOM 792 CG GLN A 48 11.514 -5.831 1.528 1.00 0.00 C ATOM 793 CD GLN A 48 12.501 -6.828 0.951 1.00 0.00 C ATOM 794 OE1 GLN A 48 13.186 -7.538 1.688 1.00 0.00 O ATOM 795 NE2 GLN A 48 12.578 -6.886 -0.373 1.00 0.00 N ATOM 0 H GLN A 48 12.263 -3.762 4.788 1.00 0.00 H new ATOM 0 HA GLN A 48 10.077 -4.273 3.152 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.630 -4.457 2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.508 -6.069 3.408 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.538 -6.307 1.626 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.395 -5.000 0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.991 -6.279 -0.945 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.224 -7.538 -0.818 1.00 0.00 H new ATOM 804 N ASN A 49 10.586 -6.577 5.441 1.00 0.00 N ATOM 805 CA ASN A 49 9.992 -7.740 6.091 1.00 0.00 C ATOM 806 C ASN A 49 8.580 -7.428 6.578 1.00 0.00 C ATOM 807 O ASN A 49 7.662 -8.232 6.410 1.00 0.00 O ATOM 808 CB ASN A 49 10.860 -8.192 7.266 1.00 0.00 C ATOM 809 CG ASN A 49 12.136 -8.875 6.813 1.00 0.00 C ATOM 810 OD1 ASN A 49 12.102 -9.819 6.024 1.00 0.00 O ATOM 811 ND2 ASN A 49 13.271 -8.399 7.312 1.00 0.00 N ATOM 0 H ASN A 49 11.421 -6.217 5.903 1.00 0.00 H new ATOM 0 HA ASN A 49 9.936 -8.545 5.359 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.112 -7.328 7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.289 -8.875 7.894 1.00 0.00 H new ATOM 0 HD21 ASN A 49 14.161 -8.818 7.044 1.00 0.00 H new ATOM 0 HD22 ASN A 49 13.252 -7.614 7.963 1.00 0.00 H new ATOM 818 N TRP A 50 8.413 -6.256 7.181 1.00 0.00 N ATOM 819 CA TRP A 50 7.113 -5.837 7.691 1.00 0.00 C ATOM 820 C TRP A 50 6.107 -5.679 6.556 1.00 0.00 C ATOM 821 O TRP A 50 4.951 -6.082 6.679 1.00 0.00 O ATOM 822 CB TRP A 50 7.244 -4.522 8.460 1.00 0.00 C ATOM 823 CG TRP A 50 5.935 -4.004 8.978 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.469 -4.092 10.259 1.00 0.00 C ATOM 825 CD2 TRP A 50 4.927 -3.320 8.227 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.230 -3.503 10.348 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.876 -3.021 9.116 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.810 -2.929 6.891 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.725 -2.352 8.708 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.667 -2.265 6.488 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.638 -1.981 7.395 1.00 0.00 C ATOM 0 H TRP A 50 9.162 -5.579 7.328 1.00 0.00 H new ATOM 0 HA TRP A 50 6.750 -6.611 8.367 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.927 -4.665 9.297 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.692 -3.771 7.809 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.996 -4.556 11.080 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.666 -3.436 11.195 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.599 -3.142 6.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.929 -2.134 9.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.565 -1.960 5.457 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.758 -1.458 7.050 1.00 0.00 H new ATOM 842 N ALA A 51 6.556 -5.090 5.452 1.00 0.00 N ATOM 843 CA ALA A 51 5.694 -4.881 4.295 1.00 0.00 C ATOM 844 C ALA A 51 5.181 -6.208 3.747 1.00 0.00 C ATOM 845 O ALA A 51 3.982 -6.372 3.513 1.00 0.00 O ATOM 846 CB ALA A 51 6.442 -4.115 3.213 1.00 0.00 C ATOM 0 H ALA A 51 7.510 -4.750 5.335 1.00 0.00 H new ATOM 0 HA ALA A 51 4.834 -4.292 4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.787 -3.965 2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.755 -3.147 3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.320 -4.684 2.905 1.00 0.00 H new ATOM 852 N ILE A 52 6.094 -7.152 3.542 1.00 0.00 N ATOM 853 CA ILE A 52 5.731 -8.464 3.021 1.00 0.00 C ATOM 854 C ILE A 52 4.808 -9.203 3.985 1.00 0.00 C ATOM 855 O ILE A 52 3.809 -9.795 3.574 1.00 0.00 O ATOM 856 CB ILE A 52 6.977 -9.329 2.757 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.946 -8.595 1.827 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.575 -10.670 2.161 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.358 -9.137 1.876 1.00 0.00 C ATOM 0 H ILE A 52 7.090 -7.033 3.729 1.00 0.00 H new ATOM 0 HA ILE A 52 5.209 -8.296 2.079 1.00 0.00 H new ATOM 0 HB ILE A 52 7.482 -9.512 3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.575 -8.661 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.962 -7.538 2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.467 -11.270 1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.919 -11.195 2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.050 -10.507 1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.989 -8.570 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.748 -9.046 2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.355 -10.186 1.581 1.00 0.00 H new ATOM 871 N ARG A 53 5.148 -9.162 5.269 1.00 0.00 N ATOM 872 CA ARG A 53 4.351 -9.827 6.292 1.00 0.00 C ATOM 873 C ARG A 53 2.999 -9.138 6.460 1.00 0.00 C ATOM 874 O ARG A 53 1.990 -9.789 6.729 1.00 0.00 O ATOM 875 CB ARG A 53 5.099 -9.837 7.626 1.00 0.00 C ATOM 876 CG ARG A 53 4.595 -10.889 8.600 1.00 0.00 C ATOM 877 CD ARG A 53 5.232 -12.244 8.333 1.00 0.00 C ATOM 878 NE ARG A 53 4.431 -13.341 8.873 1.00 0.00 N ATOM 879 CZ ARG A 53 4.871 -14.590 8.975 1.00 0.00 C ATOM 880 NH1 ARG A 53 6.097 -14.900 8.577 1.00 0.00 N ATOM 881 NH2 ARG A 53 4.083 -15.534 9.476 1.00 0.00 N ATOM 0 H ARG A 53 5.970 -8.675 5.625 1.00 0.00 H new ATOM 0 HA ARG A 53 4.179 -10.855 5.972 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.159 -10.007 7.437 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.012 -8.854 8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.815 -10.577 9.621 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.511 -10.973 8.519 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.357 -12.381 7.259 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.228 -12.270 8.775 1.00 0.00 H new ATOM 0 HE ARG A 53 3.483 -13.136 9.189 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.706 -14.178 8.191 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.432 -15.860 8.657 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.139 -15.300 9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.422 -16.493 9.554 1.00 0.00 H new ATOM 895 N ALA A 54 2.988 -7.820 6.297 1.00 0.00 N ATOM 896 CA ALA A 54 1.761 -7.045 6.429 1.00 0.00 C ATOM 897 C ALA A 54 0.838 -7.271 5.236 1.00 0.00 C ATOM 898 O ALA A 54 -0.363 -7.489 5.401 1.00 0.00 O ATOM 899 CB ALA A 54 2.085 -5.565 6.575 1.00 0.00 C ATOM 0 H ALA A 54 3.815 -7.266 6.073 1.00 0.00 H new ATOM 0 HA ALA A 54 1.242 -7.383 7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.159 -4.998 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.699 -5.413 7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.629 -5.223 5.694 1.00 0.00 H new ATOM 905 N ILE A 55 1.405 -7.217 4.036 1.00 0.00 N ATOM 906 CA ILE A 55 0.633 -7.416 2.816 1.00 0.00 C ATOM 907 C ILE A 55 0.066 -8.830 2.750 1.00 0.00 C ATOM 908 O ILE A 55 -1.118 -9.022 2.472 1.00 0.00 O ATOM 909 CB ILE A 55 1.486 -7.158 1.560 1.00 0.00 C ATOM 910 CG1 ILE A 55 2.014 -5.722 1.562 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.673 -7.428 0.303 1.00 0.00 C ATOM 912 CD1 ILE A 55 3.288 -5.546 0.767 1.00 0.00 C ATOM 0 H ILE A 55 2.397 -7.037 3.882 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.187 -6.698 2.841 1.00 0.00 H new ATOM 0 HB ILE A 55 2.338 -7.838 1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.248 -5.061 1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.192 -5.410 2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.290 -7.241 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.342 -8.466 0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.196 -6.770 0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.604 -4.504 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.069 -6.181 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.111 -5.826 -0.271 1.00 0.00 H new ATOM 924 N GLU A 56 0.918 -9.816 3.009 1.00 0.00 N ATOM 925 CA GLU A 56 0.500 -11.214 2.980 1.00 0.00 C ATOM 926 C GLU A 56 -0.558 -11.488 4.045 1.00 0.00 C ATOM 927 O GLU A 56 -1.527 -12.208 3.804 1.00 0.00 O ATOM 928 CB GLU A 56 1.705 -12.133 3.193 1.00 0.00 C ATOM 929 CG GLU A 56 2.405 -12.529 1.904 1.00 0.00 C ATOM 930 CD GLU A 56 2.693 -11.340 1.009 1.00 0.00 C ATOM 931 OE1 GLU A 56 1.759 -10.867 0.328 1.00 0.00 O ATOM 932 OE2 GLU A 56 3.855 -10.881 0.990 1.00 0.00 O ATOM 0 H GLU A 56 1.901 -9.674 3.241 1.00 0.00 H new ATOM 0 HA GLU A 56 0.065 -11.417 2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.421 -11.634 3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.376 -13.035 3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.341 -13.034 2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.786 -13.245 1.363 1.00 0.00 H new ATOM 939 N THR A 57 -0.365 -10.908 5.227 1.00 0.00 N ATOM 940 CA THR A 57 -1.299 -11.091 6.329 1.00 0.00 C ATOM 941 C THR A 57 -2.539 -10.222 6.148 1.00 0.00 C ATOM 942 O THR A 57 -3.596 -10.505 6.714 1.00 0.00 O ATOM 943 CB THR A 57 -0.645 -10.755 7.682 1.00 0.00 C ATOM 944 OG1 THR A 57 0.264 -11.796 8.059 1.00 0.00 O ATOM 945 CG2 THR A 57 -1.699 -10.579 8.765 1.00 0.00 C ATOM 0 H THR A 57 0.431 -10.308 5.444 1.00 0.00 H new ATOM 0 HA THR A 57 -1.590 -12.141 6.325 1.00 0.00 H new ATOM 0 HB THR A 57 -0.099 -9.818 7.573 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.171 -11.556 7.777 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.212 -10.342 9.711 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.372 -9.767 8.490 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.269 -11.502 8.871 1.00 0.00 H new ATOM 953 N LEU A 58 -2.404 -9.165 5.355 1.00 0.00 N ATOM 954 CA LEU A 58 -3.515 -8.255 5.098 1.00 0.00 C ATOM 955 C LEU A 58 -4.220 -8.610 3.793 1.00 0.00 C ATOM 956 O LEU A 58 -5.321 -9.160 3.800 1.00 0.00 O ATOM 957 CB LEU A 58 -3.014 -6.810 5.045 1.00 0.00 C ATOM 958 CG LEU A 58 -2.572 -6.203 6.376 1.00 0.00 C ATOM 959 CD1 LEU A 58 -1.833 -4.894 6.146 1.00 0.00 C ATOM 960 CD2 LEU A 58 -3.771 -5.988 7.288 1.00 0.00 C ATOM 0 H LEU A 58 -1.537 -8.917 4.879 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.231 -8.355 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.175 -6.763 4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.806 -6.187 4.630 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.891 -6.900 6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.526 -4.476 7.105 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.952 -5.077 5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.491 -4.189 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.438 -5.555 8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.477 -5.311 6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.258 -6.944 7.480 1.00 0.00 H new ATOM 972 N SER A 59 -3.576 -8.294 2.675 1.00 0.00 N ATOM 973 CA SER A 59 -4.141 -8.578 1.361 1.00 0.00 C ATOM 974 C SER A 59 -4.457 -10.063 1.215 1.00 0.00 C ATOM 975 O SER A 59 -3.594 -10.916 1.422 1.00 0.00 O ATOM 976 CB SER A 59 -3.175 -8.140 0.259 1.00 0.00 C ATOM 977 OG SER A 59 -3.784 -8.221 -1.018 1.00 0.00 O ATOM 0 H SER A 59 -2.662 -7.841 2.652 1.00 0.00 H new ATOM 0 HA SER A 59 -5.069 -8.015 1.264 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.847 -7.117 0.444 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.285 -8.769 0.281 1.00 0.00 H new ATOM 0 HG SER A 59 -3.091 -8.282 -1.708 1.00 0.00 H new ATOM 983 N GLY A 60 -5.701 -10.367 0.856 1.00 0.00 N ATOM 984 CA GLY A 60 -6.110 -11.748 0.688 1.00 0.00 C ATOM 985 C GLY A 60 -6.648 -12.354 1.970 1.00 0.00 C ATOM 986 O GLY A 60 -7.325 -13.381 1.945 1.00 0.00 O ATOM 0 H GLY A 60 -6.433 -9.679 0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.875 -11.805 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.260 -12.336 0.341 1.00 0.00 H new ATOM 990 N LYS A 61 -6.346 -11.716 3.096 1.00 0.00 N ATOM 991 CA LYS A 61 -6.803 -12.196 4.395 1.00 0.00 C ATOM 992 C LYS A 61 -7.470 -11.074 5.186 1.00 0.00 C ATOM 993 O LYS A 61 -7.711 -11.207 6.386 1.00 0.00 O ATOM 994 CB LYS A 61 -5.629 -12.769 5.192 1.00 0.00 C ATOM 995 CG LYS A 61 -5.125 -14.099 4.660 1.00 0.00 C ATOM 996 CD LYS A 61 -4.033 -13.906 3.620 1.00 0.00 C ATOM 997 CE LYS A 61 -3.881 -15.136 2.738 1.00 0.00 C ATOM 998 NZ LYS A 61 -2.561 -15.163 2.047 1.00 0.00 N ATOM 0 H LYS A 61 -5.786 -10.864 3.135 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.538 -12.983 4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.810 -12.050 5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.933 -12.894 6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.741 -14.700 5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.954 -14.654 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.267 -13.040 3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.087 -13.695 4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.992 -16.034 3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.680 -15.152 1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.496 -16.016 1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.466 -14.318 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.799 -15.173 2.755 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.766 -9.972 4.506 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.407 -8.829 5.145 1.00 0.00 C ATOM 1014 C VAL A 62 -9.316 -8.091 4.167 1.00 0.00 C ATOM 1015 O VAL A 62 -8.925 -7.806 3.036 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.366 -7.842 5.705 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.053 -6.634 6.323 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -6.471 -8.534 6.723 1.00 0.00 C ATOM 0 H VAL A 62 -7.572 -9.846 3.513 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.005 -9.221 5.968 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.742 -7.493 4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.301 -5.948 6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.648 -6.126 5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.702 -6.961 7.135 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.741 -7.822 7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.079 -8.912 7.545 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.951 -9.364 6.245 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.530 -7.784 4.613 1.00 0.00 N ATOM 1029 CA GLU A 63 -11.494 -7.079 3.777 1.00 0.00 C ATOM 1030 C GLU A 63 -12.172 -5.956 4.556 1.00 0.00 C ATOM 1031 O GLU A 63 -12.375 -6.059 5.767 1.00 0.00 O ATOM 1032 CB GLU A 63 -12.548 -8.053 3.244 1.00 0.00 C ATOM 1033 CG GLU A 63 -13.466 -8.606 4.322 1.00 0.00 C ATOM 1034 CD GLU A 63 -12.933 -9.881 4.944 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -11.705 -10.100 4.886 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -13.743 -10.659 5.490 1.00 0.00 O ATOM 0 H GLU A 63 -10.869 -8.012 5.548 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.955 -6.641 2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.151 -7.546 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.046 -8.882 2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.600 -7.855 5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.449 -8.799 3.893 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.518 -4.882 3.853 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.172 -3.738 4.478 1.00 0.00 C ATOM 1045 C LEU A 64 -14.508 -3.440 3.805 1.00 0.00 C ATOM 1046 O LEU A 64 -14.604 -3.415 2.578 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.266 -2.507 4.407 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.430 -1.487 5.536 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.154 -2.134 6.883 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.510 -0.295 5.315 1.00 0.00 C ATOM 0 H LEU A 64 -12.356 -4.780 2.851 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.360 -3.984 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.229 -2.844 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.447 -2.002 3.458 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.460 -1.131 5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.275 -1.394 7.674 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.854 -2.954 7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.134 -2.519 6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.640 0.420 6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.474 -0.634 5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.756 0.184 4.367 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.535 -3.212 4.617 1.00 0.00 N ATOM 1063 CA HIS A 65 -16.866 -2.912 4.100 1.00 0.00 C ATOM 1064 C HIS A 65 -17.402 -4.076 3.273 1.00 0.00 C ATOM 1065 O HIS A 65 -18.166 -3.880 2.329 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.832 -1.641 3.250 1.00 0.00 C ATOM 1067 CG HIS A 65 -16.916 -0.381 4.055 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.100 0.288 4.284 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -15.955 0.332 4.688 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -17.862 1.359 5.021 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -16.568 1.408 5.281 1.00 0.00 N ATOM 0 H HIS A 65 -15.472 -3.229 5.635 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.531 -2.755 4.949 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.912 -1.629 2.666 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.659 -1.665 2.541 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -14.901 0.098 4.721 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -18.601 2.073 5.354 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.100 2.128 5.832 1.00 0.00 H new ATOM 1079 N GLY A 66 -16.996 -5.290 3.634 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.444 -6.467 2.915 1.00 0.00 C ATOM 1081 C GLY A 66 -16.700 -6.667 1.608 1.00 0.00 C ATOM 1082 O GLY A 66 -17.048 -7.542 0.815 1.00 0.00 O ATOM 0 H GLY A 66 -16.364 -5.478 4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.309 -7.347 3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.511 -6.381 2.712 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.675 -5.853 1.382 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.880 -5.944 0.164 1.00 0.00 C ATOM 1088 C LYS A 67 -13.427 -6.279 0.486 1.00 0.00 C ATOM 1089 O LYS A 67 -12.814 -5.657 1.354 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.950 -4.627 -0.614 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.313 -4.354 -1.225 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.405 -2.940 -1.774 1.00 0.00 C ATOM 1093 CE LYS A 67 -15.958 -2.875 -3.226 1.00 0.00 C ATOM 1094 NZ LYS A 67 -17.089 -3.104 -4.166 1.00 0.00 N ATOM 0 H LYS A 67 -15.375 -5.122 2.027 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.292 -6.745 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.689 -3.806 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.202 -4.643 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.504 -5.069 -2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -17.087 -4.504 -0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.432 -2.583 -1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.787 -2.274 -1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.512 -1.901 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.184 -3.622 -3.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.743 -3.052 -5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.499 -4.044 -3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.817 -2.376 -4.017 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.883 -7.265 -0.220 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.501 -7.680 -0.010 1.00 0.00 C ATOM 1110 C ILE A 68 -10.526 -6.602 -0.472 1.00 0.00 C ATOM 1111 O ILE A 68 -10.610 -6.118 -1.600 1.00 0.00 O ATOM 1112 CB ILE A 68 -11.188 -8.991 -0.755 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.222 -10.062 -0.401 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.784 -9.471 -0.417 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -12.019 -10.669 0.970 1.00 0.00 C ATOM 0 H ILE A 68 -13.377 -7.791 -0.941 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.380 -7.841 1.061 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.238 -8.803 -1.828 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.219 -9.624 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.184 -10.854 -1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.578 -10.398 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.059 -8.713 -0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.708 -9.646 0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.788 -11.420 1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.036 -11.137 1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.087 -9.888 1.727 1.00 0.00 H new ATOM 1127 N MET A 69 -9.601 -6.232 0.408 1.00 0.00 N ATOM 1128 CA MET A 69 -8.608 -5.213 0.088 1.00 0.00 C ATOM 1129 C MET A 69 -7.346 -5.846 -0.490 1.00 0.00 C ATOM 1130 O MET A 69 -6.865 -6.860 0.012 1.00 0.00 O ATOM 1131 CB MET A 69 -8.259 -4.401 1.337 1.00 0.00 C ATOM 1132 CG MET A 69 -7.099 -4.977 2.131 1.00 0.00 C ATOM 1133 SD MET A 69 -6.985 -4.288 3.795 1.00 0.00 S ATOM 1134 CE MET A 69 -6.831 -2.543 3.428 1.00 0.00 C ATOM 0 H MET A 69 -9.518 -6.622 1.347 1.00 0.00 H new ATOM 0 HA MET A 69 -9.035 -4.547 -0.662 1.00 0.00 H new ATOM 0 HB2 MET A 69 -8.015 -3.381 1.041 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.137 -4.345 1.981 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.211 -6.059 2.197 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.168 -4.785 1.598 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.131 -2.085 4.127 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.462 -2.416 2.410 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.805 -2.064 3.523 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.816 -5.238 -1.548 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.611 -5.745 -2.194 1.00 0.00 C ATOM 1146 C GLU A 70 -4.421 -4.830 -1.920 1.00 0.00 C ATOM 1147 O GLU A 70 -4.511 -3.612 -2.081 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.830 -5.877 -3.702 1.00 0.00 C ATOM 1149 CG GLU A 70 -6.115 -4.553 -4.393 1.00 0.00 C ATOM 1150 CD GLU A 70 -6.656 -4.734 -5.799 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -7.577 -5.558 -5.977 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -6.159 -4.051 -6.719 1.00 0.00 O ATOM 0 H GLU A 70 -7.202 -4.396 -1.975 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.394 -6.729 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.946 -6.329 -4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.662 -6.558 -3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.833 -3.986 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.199 -3.964 -4.433 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.308 -5.424 -1.505 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.100 -4.663 -1.209 1.00 0.00 C ATOM 1161 C VAL A 71 -0.914 -5.178 -2.017 1.00 0.00 C ATOM 1162 O VAL A 71 -0.653 -6.381 -2.058 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.751 -4.725 0.290 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.669 -3.710 0.629 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -2.994 -4.494 1.137 1.00 0.00 C ATOM 0 H VAL A 71 -3.217 -6.430 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.302 -3.628 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.366 -5.720 0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.436 -3.768 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.228 -3.926 0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.023 -2.707 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.729 -4.541 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.411 -3.513 0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.734 -5.263 0.914 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.199 -4.261 -2.658 1.00 0.00 N ATOM 1176 CA ASP A 72 0.961 -4.621 -3.464 1.00 0.00 C ATOM 1177 C ASP A 72 1.936 -3.452 -3.569 1.00 0.00 C ATOM 1178 O ASP A 72 1.527 -2.308 -3.768 1.00 0.00 O ATOM 1179 CB ASP A 72 0.521 -5.061 -4.862 1.00 0.00 C ATOM 1180 CG ASP A 72 0.214 -6.543 -4.933 1.00 0.00 C ATOM 1181 OD1 ASP A 72 0.984 -7.337 -4.352 1.00 0.00 O ATOM 1182 OD2 ASP A 72 -0.795 -6.912 -5.571 1.00 0.00 O ATOM 0 H ASP A 72 -0.403 -3.262 -2.635 1.00 0.00 H new ATOM 0 HA ASP A 72 1.469 -5.451 -2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.363 -4.495 -5.156 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.306 -4.821 -5.579 1.00 0.00 H new ATOM 1187 N TYR A 73 3.223 -3.748 -3.432 1.00 0.00 N ATOM 1188 CA TYR A 73 4.255 -2.721 -3.508 1.00 0.00 C ATOM 1189 C TYR A 73 3.898 -1.665 -4.550 1.00 0.00 C ATOM 1190 O TYR A 73 3.395 -1.985 -5.626 1.00 0.00 O ATOM 1191 CB TYR A 73 5.607 -3.351 -3.845 1.00 0.00 C ATOM 1192 CG TYR A 73 6.379 -3.818 -2.632 1.00 0.00 C ATOM 1193 CD1 TYR A 73 5.745 -4.510 -1.606 1.00 0.00 C ATOM 1194 CD2 TYR A 73 7.740 -3.567 -2.510 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.446 -4.937 -0.495 1.00 0.00 C ATOM 1196 CE2 TYR A 73 8.448 -3.993 -1.403 1.00 0.00 C ATOM 1197 CZ TYR A 73 7.797 -4.676 -0.398 1.00 0.00 C ATOM 1198 OH TYR A 73 8.499 -5.102 0.707 1.00 0.00 O ATOM 0 H TYR A 73 3.577 -4.690 -3.268 1.00 0.00 H new ATOM 0 HA TYR A 73 4.321 -2.236 -2.534 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.447 -4.199 -4.511 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.210 -2.626 -4.391 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.688 -4.717 -1.679 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.253 -3.030 -3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.939 -5.473 0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.506 -3.792 -1.325 1.00 0.00 H new ATOM 0 HH TYR A 73 9.140 -4.410 0.974 1.00 0.00 H new ATOM 1208 N SER A 74 4.165 -0.405 -4.221 1.00 0.00 N ATOM 1209 CA SER A 74 3.870 0.699 -5.126 1.00 0.00 C ATOM 1210 C SER A 74 5.086 1.039 -5.984 1.00 0.00 C ATOM 1211 O SER A 74 5.583 2.164 -5.957 1.00 0.00 O ATOM 1212 CB SER A 74 3.430 1.932 -4.334 1.00 0.00 C ATOM 1213 OG SER A 74 2.581 2.760 -5.109 1.00 0.00 O ATOM 0 H SER A 74 4.585 -0.124 -3.335 1.00 0.00 H new ATOM 0 HA SER A 74 3.058 0.389 -5.784 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.910 1.620 -3.428 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.307 2.498 -4.020 1.00 0.00 H new ATOM 0 HG SER A 74 1.943 3.216 -4.521 1.00 0.00 H new