USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 17 CYS SG : rot -114:sc= -0.0548 USER MOD Set 1.2: A 117 MET CE :methyl -142:sc= -1.54 (180deg=-1.75) USER MOD Set 2.1: A 90 TYR OH : rot -174:sc= 0.638 USER MOD Set 2.2: A 107 GLN : amide:sc= 0.551 K(o=1.2,f=-1.2) USER MOD Set 3.1: A 89 CYS SG : rot 134:sc= 0.258 USER MOD Set 3.2: A 93 ASN : amide:sc= 0.0663 X(o=0.32,f=0.21) USER MOD Set 4.1: A 29 HIS : no HE2:sc= -0.624 X(o=-0.62,f=-0.76) USER MOD Set 4.2: A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS :FLIP no HE2:sc= -0.11 F(o=-1.2,f=-0.11) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -82:sc= 0.73 USER MOD Single : A 24 MET CE :methyl -175:sc= 0 (180deg=-0.0212) USER MOD Single : A 26 SER OG : rot -92:sc= 0.171 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 16:sc= -0.976 USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0118) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0553 X(o=-0.055,f=-0.22) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc=-0.00713 X(o=-0.0071,f=-0.069) USER MOD Single : A 58 MET CE :methyl 157:sc= -0.226 (180deg=-1.26) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -127:sc= -0.65 (180deg=-4.57!) USER MOD Single : A 72 TYR OH : rot -100:sc= -0.886 USER MOD Single : A 76 GLN : amide:sc= -1.8! C(o=-1.8!,f=-1.8!) USER MOD Single : A 85 MET CE :methyl -138:sc= 0 (180deg=-0.0275) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 60:sc= 0.143 USER MOD Single : A 97 HIS : no HD1:sc= -2.57! C(o=-2.6!,f=-6.4!) USER MOD Single : A 102 MET CE :methyl -127:sc= -1.82 (180deg=-4.05) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 145:sc= -0.284 (180deg=-1.62!) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -4.544 17.987 6.163 1.00 0.00 N ATOM 115 CA SER A 11 -5.312 18.663 5.124 1.00 0.00 C ATOM 116 C SER A 11 -6.803 18.376 5.277 1.00 0.00 C ATOM 117 O SER A 11 -7.196 17.416 5.939 1.00 0.00 O ATOM 118 CB SER A 11 -4.836 18.222 3.739 1.00 0.00 C ATOM 119 OG SER A 11 -5.374 19.053 2.726 1.00 0.00 O ATOM 0 HA SER A 11 -5.153 19.736 5.230 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.747 18.253 3.699 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.133 17.188 3.561 1.00 0.00 H new ATOM 0 HG SER A 11 -5.053 18.751 1.851 1.00 0.00 H new ATOM 125 N GLU A 12 -7.627 19.216 4.659 1.00 0.00 N ATOM 126 CA GLU A 12 -9.075 19.053 4.726 1.00 0.00 C ATOM 127 C GLU A 12 -9.476 17.616 4.404 1.00 0.00 C ATOM 128 O GLU A 12 -10.388 17.062 5.019 1.00 0.00 O ATOM 129 CB GLU A 12 -9.765 20.016 3.758 1.00 0.00 C ATOM 130 CG GLU A 12 -11.276 19.862 3.720 1.00 0.00 C ATOM 131 CD GLU A 12 -11.926 20.750 2.677 1.00 0.00 C ATOM 132 OE1 GLU A 12 -11.726 21.982 2.739 1.00 0.00 O ATOM 133 OE2 GLU A 12 -12.636 20.215 1.800 1.00 0.00 O ATOM 0 H GLU A 12 -7.317 20.016 4.107 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.394 19.282 5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.520 21.040 4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.367 19.858 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.526 18.822 3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.687 20.100 4.701 1.00 0.00 H new ATOM 140 N HIS A 13 -8.789 17.019 3.435 1.00 0.00 N ATOM 141 CA HIS A 13 -9.074 15.647 3.030 1.00 0.00 C ATOM 142 C HIS A 13 -8.284 14.655 3.879 1.00 0.00 C ATOM 143 O HIS A 13 -8.850 13.719 4.445 1.00 0.00 O ATOM 144 CB HIS A 13 -8.739 15.450 1.551 1.00 0.00 C ATOM 145 CG HIS A 13 -9.573 16.287 0.631 1.00 0.00 C ATOM 146 ND1 HIS A 13 -10.870 16.668 0.713 1.00 0.00 N flip ATOM 147 CD2 HIS A 13 -9.087 16.834 -0.538 1.00 0.00 C flip ATOM 148 CE1 HIS A 13 -11.140 17.431 -0.396 1.00 0.00 C flip ATOM 149 NE2 HIS A 13 -10.048 17.517 -1.134 1.00 0.00 N flip ATOM 0 H HIS A 13 -8.032 17.463 2.916 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.137 15.462 3.182 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.687 15.687 1.391 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -8.872 14.399 1.294 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -11.524 16.432 1.459 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -8.079 16.722 -0.908 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -12.091 17.887 -0.627 1.00 0.00 H new ATOM 157 N LEU A 14 -6.975 14.867 3.963 1.00 0.00 N ATOM 158 CA LEU A 14 -6.108 13.991 4.743 1.00 0.00 C ATOM 159 C LEU A 14 -6.814 13.509 6.006 1.00 0.00 C ATOM 160 O LEU A 14 -7.024 12.310 6.193 1.00 0.00 O ATOM 161 CB LEU A 14 -4.815 14.720 5.114 1.00 0.00 C ATOM 162 CG LEU A 14 -3.670 14.610 4.107 1.00 0.00 C ATOM 163 CD1 LEU A 14 -2.551 15.576 4.464 1.00 0.00 C ATOM 164 CD2 LEU A 14 -3.147 13.182 4.048 1.00 0.00 C ATOM 0 H LEU A 14 -6.491 15.637 3.501 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.866 13.122 4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.045 15.776 5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.467 14.336 6.073 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.051 14.877 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.745 15.484 3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.934 16.596 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.171 15.341 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.332 13.122 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.782 12.887 5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.951 12.512 3.744 1.00 0.00 H new ATOM 176 N ARG A 15 -7.180 14.451 6.870 1.00 0.00 N ATOM 177 CA ARG A 15 -7.863 14.123 8.115 1.00 0.00 C ATOM 178 C ARG A 15 -8.809 12.941 7.920 1.00 0.00 C ATOM 179 O ARG A 15 -8.835 12.014 8.730 1.00 0.00 O ATOM 180 CB ARG A 15 -8.643 15.334 8.628 1.00 0.00 C ATOM 181 CG ARG A 15 -9.646 15.883 7.626 1.00 0.00 C ATOM 182 CD ARG A 15 -10.177 17.241 8.055 1.00 0.00 C ATOM 183 NE ARG A 15 -9.187 18.299 7.872 1.00 0.00 N ATOM 184 CZ ARG A 15 -9.233 19.466 8.505 1.00 0.00 C ATOM 185 NH1 ARG A 15 -10.215 19.723 9.359 1.00 0.00 N ATOM 186 NH2 ARG A 15 -8.295 20.379 8.286 1.00 0.00 N ATOM 0 H ARG A 15 -7.015 15.448 6.730 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.109 13.846 8.852 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.170 15.056 9.541 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.939 16.123 8.894 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.174 15.969 6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.476 15.184 7.520 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.072 17.478 7.480 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.474 17.200 9.103 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.418 18.133 7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.937 19.024 9.531 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.248 20.620 9.844 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.538 20.185 7.631 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.332 21.275 8.773 1.00 0.00 H new ATOM 200 N TYR A 16 -9.584 12.981 6.842 1.00 0.00 N ATOM 201 CA TYR A 16 -10.533 11.915 6.543 1.00 0.00 C ATOM 202 C TYR A 16 -9.810 10.662 6.059 1.00 0.00 C ATOM 203 O TYR A 16 -10.104 9.552 6.504 1.00 0.00 O ATOM 204 CB TYR A 16 -11.536 12.379 5.486 1.00 0.00 C ATOM 205 CG TYR A 16 -12.497 11.297 5.047 1.00 0.00 C ATOM 206 CD1 TYR A 16 -12.065 10.232 4.266 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.836 11.340 5.413 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.940 9.242 3.862 1.00 0.00 C ATOM 209 CE2 TYR A 16 -14.718 10.354 5.015 1.00 0.00 C ATOM 210 CZ TYR A 16 -14.265 9.307 4.239 1.00 0.00 C ATOM 211 OH TYR A 16 -15.139 8.322 3.840 1.00 0.00 O ATOM 0 H TYR A 16 -9.574 13.740 6.161 1.00 0.00 H new ATOM 0 HA TYR A 16 -11.069 11.672 7.461 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.105 13.220 5.882 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.991 12.744 4.616 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -11.028 10.177 3.970 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -14.194 12.159 6.019 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.588 8.422 3.254 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.756 10.402 5.310 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.033 8.516 4.191 1.00 0.00 H new ATOM 221 N CYS A 17 -8.864 10.849 5.146 1.00 0.00 N ATOM 222 CA CYS A 17 -8.097 9.734 4.600 1.00 0.00 C ATOM 223 C CYS A 17 -7.458 8.915 5.717 1.00 0.00 C ATOM 224 O CYS A 17 -7.584 7.691 5.753 1.00 0.00 O ATOM 225 CB CYS A 17 -7.018 10.248 3.646 1.00 0.00 C ATOM 226 SG CYS A 17 -7.660 10.883 2.079 1.00 0.00 S ATOM 0 H CYS A 17 -8.609 11.761 4.768 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.782 9.090 4.048 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.455 11.038 4.143 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.317 9.440 3.438 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.253 10.125 1.104 1.00 0.00 H new ATOM 232 N ASP A 18 -6.770 9.599 6.625 1.00 0.00 N ATOM 233 CA ASP A 18 -6.109 8.935 7.743 1.00 0.00 C ATOM 234 C ASP A 18 -6.935 7.751 8.237 1.00 0.00 C ATOM 235 O ASP A 18 -6.396 6.683 8.525 1.00 0.00 O ATOM 236 CB ASP A 18 -5.878 9.924 8.886 1.00 0.00 C ATOM 237 CG ASP A 18 -4.954 9.370 9.953 1.00 0.00 C ATOM 238 OD1 ASP A 18 -3.847 8.912 9.600 1.00 0.00 O ATOM 239 OD2 ASP A 18 -5.337 9.396 11.141 1.00 0.00 O ATOM 0 H ASP A 18 -6.656 10.612 6.609 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.146 8.563 7.395 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.455 10.845 8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.836 10.183 9.338 1.00 0.00 H new ATOM 244 N SER A 19 -8.246 7.950 8.333 1.00 0.00 N ATOM 245 CA SER A 19 -9.146 6.900 8.797 1.00 0.00 C ATOM 246 C SER A 19 -9.146 5.719 7.831 1.00 0.00 C ATOM 247 O SER A 19 -8.946 4.573 8.235 1.00 0.00 O ATOM 248 CB SER A 19 -10.566 7.448 8.951 1.00 0.00 C ATOM 249 OG SER A 19 -11.181 7.633 7.688 1.00 0.00 O ATOM 0 H SER A 19 -8.708 8.828 8.096 1.00 0.00 H new ATOM 0 HA SER A 19 -8.791 6.553 9.767 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.161 6.760 9.552 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.537 8.397 9.487 1.00 0.00 H new ATOM 0 HG SER A 19 -10.898 8.491 7.309 1.00 0.00 H new ATOM 255 N ILE A 20 -9.373 6.007 6.554 1.00 0.00 N ATOM 256 CA ILE A 20 -9.398 4.970 5.530 1.00 0.00 C ATOM 257 C ILE A 20 -8.316 3.925 5.780 1.00 0.00 C ATOM 258 O ILE A 20 -8.445 2.771 5.367 1.00 0.00 O ATOM 259 CB ILE A 20 -9.208 5.564 4.122 1.00 0.00 C ATOM 260 CG1 ILE A 20 -10.291 6.606 3.834 1.00 0.00 C ATOM 261 CG2 ILE A 20 -9.234 4.461 3.074 1.00 0.00 C ATOM 262 CD1 ILE A 20 -10.139 7.278 2.487 1.00 0.00 C ATOM 0 H ILE A 20 -9.542 6.950 6.204 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.378 4.495 5.585 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.236 6.056 4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.268 6.126 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.269 7.366 4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -9.099 4.896 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.430 3.752 3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.192 3.943 3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.940 8.004 2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.176 7.787 2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -10.191 6.528 1.698 1.00 0.00 H new ATOM 274 N LEU A 21 -7.251 4.335 6.458 1.00 0.00 N ATOM 275 CA LEU A 21 -6.146 3.433 6.765 1.00 0.00 C ATOM 276 C LEU A 21 -6.464 2.578 7.987 1.00 0.00 C ATOM 277 O LEU A 21 -6.345 1.353 7.948 1.00 0.00 O ATOM 278 CB LEU A 21 -4.863 4.231 7.007 1.00 0.00 C ATOM 279 CG LEU A 21 -3.635 3.419 7.420 1.00 0.00 C ATOM 280 CD1 LEU A 21 -3.366 2.309 6.416 1.00 0.00 C ATOM 281 CD2 LEU A 21 -2.419 4.323 7.558 1.00 0.00 C ATOM 0 H LEU A 21 -7.128 5.286 6.806 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.001 2.772 5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.622 4.778 6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.061 4.972 7.781 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.835 2.963 8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.488 1.742 6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.229 1.645 6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.188 2.743 5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.555 3.728 7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.217 4.809 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.613 5.081 8.317 1.00 0.00 H new ATOM 293 N ARG A 22 -6.871 3.232 9.071 1.00 0.00 N ATOM 294 CA ARG A 22 -7.207 2.531 10.304 1.00 0.00 C ATOM 295 C ARG A 22 -8.209 1.411 10.038 1.00 0.00 C ATOM 296 O ARG A 22 -8.137 0.344 10.645 1.00 0.00 O ATOM 297 CB ARG A 22 -7.780 3.509 11.332 1.00 0.00 C ATOM 298 CG ARG A 22 -9.291 3.659 11.253 1.00 0.00 C ATOM 299 CD ARG A 22 -9.821 4.549 12.366 1.00 0.00 C ATOM 300 NE ARG A 22 -11.274 4.468 12.486 1.00 0.00 N ATOM 301 CZ ARG A 22 -12.004 5.339 13.174 1.00 0.00 C ATOM 302 NH1 ARG A 22 -11.420 6.352 13.799 1.00 0.00 N ATOM 303 NH2 ARG A 22 -13.322 5.199 13.237 1.00 0.00 N ATOM 0 H ARG A 22 -6.976 4.245 9.120 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.293 2.090 10.702 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.509 3.172 12.332 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.318 4.486 11.188 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.566 4.081 10.286 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.759 2.677 11.317 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.362 4.259 13.311 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.530 5.582 12.174 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.755 3.701 12.016 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.407 6.464 13.752 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.983 7.019 14.326 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.776 4.422 12.757 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.881 5.868 13.766 1.00 0.00 H new ATOM 317 N GLU A 23 -9.143 1.665 9.126 1.00 0.00 N ATOM 318 CA GLU A 23 -10.160 0.679 8.781 1.00 0.00 C ATOM 319 C GLU A 23 -9.535 -0.526 8.083 1.00 0.00 C ATOM 320 O GLU A 23 -9.737 -1.668 8.495 1.00 0.00 O ATOM 321 CB GLU A 23 -11.226 1.307 7.880 1.00 0.00 C ATOM 322 CG GLU A 23 -11.871 0.320 6.921 1.00 0.00 C ATOM 323 CD GLU A 23 -13.292 0.704 6.557 1.00 0.00 C ATOM 324 OE1 GLU A 23 -14.172 0.624 7.439 1.00 0.00 O ATOM 325 OE2 GLU A 23 -13.524 1.085 5.390 1.00 0.00 O ATOM 0 H GLU A 23 -9.216 2.544 8.614 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.629 0.340 9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.000 1.753 8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.774 2.116 7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.272 0.257 6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.871 -0.672 7.372 1.00 0.00 H new ATOM 332 N MET A 24 -8.777 -0.262 7.025 1.00 0.00 N ATOM 333 CA MET A 24 -8.122 -1.324 6.270 1.00 0.00 C ATOM 334 C MET A 24 -7.297 -2.216 7.192 1.00 0.00 C ATOM 335 O MET A 24 -7.096 -3.399 6.912 1.00 0.00 O ATOM 336 CB MET A 24 -7.226 -0.728 5.182 1.00 0.00 C ATOM 337 CG MET A 24 -7.997 -0.196 3.985 1.00 0.00 C ATOM 338 SD MET A 24 -7.009 -0.174 2.477 1.00 0.00 S ATOM 339 CE MET A 24 -5.731 0.999 2.926 1.00 0.00 C ATOM 0 H MET A 24 -8.601 0.678 6.671 1.00 0.00 H new ATOM 0 HA MET A 24 -8.895 -1.932 5.801 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.635 0.081 5.612 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.524 -1.490 4.843 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.883 -0.811 3.826 1.00 0.00 H new ATOM 0 HG3 MET A 24 -8.345 0.814 4.202 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.091 1.188 2.064 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.191 1.933 3.248 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.132 0.591 3.740 1.00 0.00 H new ATOM 349 N LEU A 25 -6.820 -1.643 8.291 1.00 0.00 N ATOM 350 CA LEU A 25 -6.016 -2.387 9.255 1.00 0.00 C ATOM 351 C LEU A 25 -6.893 -2.981 10.352 1.00 0.00 C ATOM 352 O LEU A 25 -6.449 -3.159 11.487 1.00 0.00 O ATOM 353 CB LEU A 25 -4.953 -1.477 9.872 1.00 0.00 C ATOM 354 CG LEU A 25 -3.677 -1.283 9.052 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.968 -0.001 9.462 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.752 -2.481 9.214 1.00 0.00 C ATOM 0 H LEU A 25 -6.976 -0.666 8.537 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.524 -3.204 8.727 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.399 -0.499 10.049 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.677 -1.882 10.846 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.953 -1.201 8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.062 0.120 8.868 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.628 0.850 9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.704 -0.053 10.518 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.849 -2.326 8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.484 -2.594 10.264 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.260 -3.382 8.870 1.00 0.00 H new ATOM 368 N SER A 26 -8.139 -3.288 10.006 1.00 0.00 N ATOM 369 CA SER A 26 -9.079 -3.861 10.963 1.00 0.00 C ATOM 370 C SER A 26 -9.122 -5.381 10.837 1.00 0.00 C ATOM 371 O SER A 26 -9.210 -5.923 9.735 1.00 0.00 O ATOM 372 CB SER A 26 -10.477 -3.280 10.746 1.00 0.00 C ATOM 373 OG SER A 26 -11.137 -3.925 9.671 1.00 0.00 O ATOM 0 H SER A 26 -8.521 -3.150 9.070 1.00 0.00 H new ATOM 0 HA SER A 26 -8.739 -3.606 11.967 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.065 -3.391 11.657 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.403 -2.212 10.542 1.00 0.00 H new ATOM 0 HG SER A 26 -10.962 -3.437 8.840 1.00 0.00 H new ATOM 379 N LYS A 27 -9.060 -6.064 11.976 1.00 0.00 N ATOM 380 CA LYS A 27 -9.094 -7.521 11.996 1.00 0.00 C ATOM 381 C LYS A 27 -10.015 -8.060 10.907 1.00 0.00 C ATOM 382 O LYS A 27 -9.745 -9.103 10.310 1.00 0.00 O ATOM 383 CB LYS A 27 -9.559 -8.022 13.366 1.00 0.00 C ATOM 384 CG LYS A 27 -9.783 -9.523 13.421 1.00 0.00 C ATOM 385 CD LYS A 27 -8.518 -10.261 13.827 1.00 0.00 C ATOM 386 CE LYS A 27 -7.671 -10.622 12.616 1.00 0.00 C ATOM 387 NZ LYS A 27 -6.468 -11.414 12.997 1.00 0.00 N ATOM 0 H LYS A 27 -8.986 -5.631 12.897 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.084 -7.885 11.806 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.817 -7.746 14.115 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.486 -7.515 13.634 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.580 -9.747 14.130 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.115 -9.878 12.446 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.936 -9.640 14.508 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.783 -11.168 14.371 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.273 -11.193 11.909 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.359 -9.711 12.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.917 -11.640 12.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.880 -10.860 13.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.766 -12.296 13.461 1.00 0.00 H new ATOM 401 N LYS A 28 -11.104 -7.343 10.651 1.00 0.00 N ATOM 402 CA LYS A 28 -12.065 -7.747 9.632 1.00 0.00 C ATOM 403 C LYS A 28 -11.398 -7.842 8.263 1.00 0.00 C ATOM 404 O LYS A 28 -11.420 -8.893 7.622 1.00 0.00 O ATOM 405 CB LYS A 28 -13.228 -6.754 9.576 1.00 0.00 C ATOM 406 CG LYS A 28 -14.398 -7.234 8.734 1.00 0.00 C ATOM 407 CD LYS A 28 -15.276 -6.077 8.289 1.00 0.00 C ATOM 408 CE LYS A 28 -16.158 -6.467 7.113 1.00 0.00 C ATOM 409 NZ LYS A 28 -17.410 -7.140 7.557 1.00 0.00 N ATOM 0 H LYS A 28 -11.343 -6.478 11.136 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.448 -8.732 9.900 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.577 -6.559 10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.867 -5.807 9.175 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.024 -7.766 7.859 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.993 -7.944 9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.900 -5.752 9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.650 -5.230 8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.409 -5.577 6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.605 -7.131 6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.983 -7.390 6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.171 -8.003 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.951 -6.497 8.170 1.00 0.00 H new ATOM 423 N HIS A 29 -10.804 -6.738 7.821 1.00 0.00 N ATOM 424 CA HIS A 29 -10.129 -6.697 6.529 1.00 0.00 C ATOM 425 C HIS A 29 -8.847 -7.524 6.560 1.00 0.00 C ATOM 426 O HIS A 29 -8.456 -8.119 5.557 1.00 0.00 O ATOM 427 CB HIS A 29 -9.810 -5.253 6.141 1.00 0.00 C ATOM 428 CG HIS A 29 -11.025 -4.430 5.843 1.00 0.00 C ATOM 429 ND1 HIS A 29 -12.120 -4.924 5.166 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.315 -3.141 6.135 1.00 0.00 C ATOM 431 CE1 HIS A 29 -13.030 -3.973 5.053 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.566 -2.881 5.634 1.00 0.00 N ATOM 0 H HIS A 29 -10.777 -5.860 8.339 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.799 -7.125 5.783 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.253 -4.783 6.951 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.160 -5.256 5.266 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -12.213 -5.875 4.808 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.680 -2.446 6.664 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.990 -4.072 4.568 1.00 0.00 H new ATOM 440 N ALA A 30 -8.196 -7.554 7.719 1.00 0.00 N ATOM 441 CA ALA A 30 -6.959 -8.308 7.880 1.00 0.00 C ATOM 442 C ALA A 30 -6.962 -9.560 7.010 1.00 0.00 C ATOM 443 O ALA A 30 -5.973 -9.866 6.344 1.00 0.00 O ATOM 444 CB ALA A 30 -6.755 -8.679 9.342 1.00 0.00 C ATOM 0 H ALA A 30 -8.505 -7.065 8.559 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.132 -7.676 7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.828 -9.242 9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.700 -7.772 9.943 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.591 -9.290 9.683 1.00 0.00 H new ATOM 450 N ALA A 31 -8.078 -10.281 7.021 1.00 0.00 N ATOM 451 CA ALA A 31 -8.209 -11.499 6.232 1.00 0.00 C ATOM 452 C ALA A 31 -7.619 -11.316 4.838 1.00 0.00 C ATOM 453 O ALA A 31 -6.785 -12.108 4.397 1.00 0.00 O ATOM 454 CB ALA A 31 -9.670 -11.913 6.138 1.00 0.00 C ATOM 0 H ALA A 31 -8.905 -10.042 7.568 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.650 -12.289 6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.753 -12.824 5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.062 -12.094 7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.244 -11.118 5.662 1.00 0.00 H new ATOM 460 N TYR A 32 -8.056 -10.268 4.149 1.00 0.00 N ATOM 461 CA TYR A 32 -7.573 -9.983 2.803 1.00 0.00 C ATOM 462 C TYR A 32 -6.808 -8.664 2.766 1.00 0.00 C ATOM 463 O TYR A 32 -6.702 -8.023 1.721 1.00 0.00 O ATOM 464 CB TYR A 32 -8.742 -9.935 1.818 1.00 0.00 C ATOM 465 CG TYR A 32 -10.027 -9.425 2.429 1.00 0.00 C ATOM 466 CD1 TYR A 32 -10.283 -8.063 2.523 1.00 0.00 C ATOM 467 CD2 TYR A 32 -10.988 -10.306 2.911 1.00 0.00 C ATOM 468 CE1 TYR A 32 -11.455 -7.592 3.081 1.00 0.00 C ATOM 469 CE2 TYR A 32 -12.164 -9.845 3.470 1.00 0.00 C ATOM 470 CZ TYR A 32 -12.393 -8.487 3.553 1.00 0.00 C ATOM 471 OH TYR A 32 -13.563 -8.023 4.108 1.00 0.00 O ATOM 0 H TYR A 32 -8.744 -9.602 4.500 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.894 -10.784 2.512 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.471 -9.297 0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.911 -10.935 1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.552 -7.359 2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.812 -11.370 2.847 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.636 -6.529 3.148 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.900 -10.544 3.840 1.00 0.00 H new ATOM 0 HH TYR A 32 -14.115 -8.782 4.389 1.00 0.00 H new ATOM 481 N ALA A 33 -6.276 -8.264 3.917 1.00 0.00 N ATOM 482 CA ALA A 33 -5.518 -7.023 4.018 1.00 0.00 C ATOM 483 C ALA A 33 -4.173 -7.254 4.698 1.00 0.00 C ATOM 484 O ALA A 33 -3.382 -6.326 4.861 1.00 0.00 O ATOM 485 CB ALA A 33 -6.321 -5.974 4.774 1.00 0.00 C ATOM 0 H ALA A 33 -6.356 -8.782 4.792 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.327 -6.660 3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.743 -5.052 4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.254 -5.779 4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.542 -6.338 5.777 1.00 0.00 H new ATOM 491 N TRP A 34 -3.922 -8.497 5.094 1.00 0.00 N ATOM 492 CA TRP A 34 -2.673 -8.849 5.758 1.00 0.00 C ATOM 493 C TRP A 34 -1.541 -8.996 4.747 1.00 0.00 C ATOM 494 O TRP A 34 -0.373 -8.744 5.040 1.00 0.00 O ATOM 495 CB TRP A 34 -2.839 -10.148 6.548 1.00 0.00 C ATOM 496 CG TRP A 34 -2.980 -11.359 5.676 1.00 0.00 C ATOM 497 CD1 TRP A 34 -4.120 -12.075 5.445 1.00 0.00 C ATOM 498 CD2 TRP A 34 -1.944 -11.997 4.921 1.00 0.00 C ATOM 499 NE1 TRP A 34 -3.854 -13.119 4.592 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.527 -13.092 4.255 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.580 -11.747 4.741 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -1.793 -13.936 3.426 1.00 0.00 C ATOM 503 CZ3 TRP A 34 0.147 -12.585 3.918 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.460 -13.668 3.268 1.00 0.00 C ATOM 0 H TRP A 34 -4.567 -9.277 4.967 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.418 -8.043 6.447 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -1.978 -10.279 7.203 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.717 -10.066 7.188 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.088 -11.853 5.870 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.535 -13.803 4.263 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.104 -10.914 5.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.259 -14.772 2.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.202 -12.402 3.773 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.136 -14.304 2.630 1.00 0.00 H new ATOM 515 N PRO A 35 -1.892 -9.414 3.522 1.00 0.00 N ATOM 516 CA PRO A 35 -0.831 -9.567 2.522 1.00 0.00 C ATOM 517 C PRO A 35 0.089 -8.353 2.462 1.00 0.00 C ATOM 518 O PRO A 35 1.217 -8.439 1.977 1.00 0.00 O ATOM 519 CB PRO A 35 -1.601 -9.720 1.208 1.00 0.00 C ATOM 520 CG PRO A 35 -2.925 -10.275 1.608 1.00 0.00 C ATOM 521 CD PRO A 35 -3.218 -9.762 2.984 1.00 0.00 C ATOM 0 HA PRO A 35 -0.176 -10.408 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.710 -8.762 0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.083 -10.389 0.521 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.701 -9.965 0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.905 -11.365 1.599 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.878 -8.895 2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.712 -10.517 3.595 1.00 0.00 H new ATOM 529 N PHE A 36 -0.401 -7.221 2.957 1.00 0.00 N ATOM 530 CA PHE A 36 0.378 -5.988 2.960 1.00 0.00 C ATOM 531 C PHE A 36 0.522 -5.438 4.376 1.00 0.00 C ATOM 532 O PHE A 36 0.333 -4.245 4.613 1.00 0.00 O ATOM 533 CB PHE A 36 -0.283 -4.941 2.059 1.00 0.00 C ATOM 534 CG PHE A 36 -1.017 -5.534 0.891 1.00 0.00 C ATOM 535 CD1 PHE A 36 -2.336 -5.940 1.018 1.00 0.00 C ATOM 536 CD2 PHE A 36 -0.389 -5.684 -0.335 1.00 0.00 C ATOM 537 CE1 PHE A 36 -3.014 -6.486 -0.055 1.00 0.00 C ATOM 538 CE2 PHE A 36 -1.062 -6.229 -1.412 1.00 0.00 C ATOM 539 CZ PHE A 36 -2.376 -6.629 -1.272 1.00 0.00 C ATOM 0 H PHE A 36 -1.333 -7.132 3.361 1.00 0.00 H new ATOM 0 HA PHE A 36 1.372 -6.215 2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.979 -4.349 2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.481 -4.257 1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.840 -5.828 1.967 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.638 -5.371 -0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.041 -6.800 0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.561 -6.342 -2.362 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.905 -7.053 -2.113 1.00 0.00 H new ATOM 549 N TYR A 37 0.858 -6.317 5.313 1.00 0.00 N ATOM 550 CA TYR A 37 1.026 -5.922 6.707 1.00 0.00 C ATOM 551 C TYR A 37 2.503 -5.857 7.081 1.00 0.00 C ATOM 552 O TYR A 37 2.899 -5.103 7.970 1.00 0.00 O ATOM 553 CB TYR A 37 0.297 -6.902 7.628 1.00 0.00 C ATOM 554 CG TYR A 37 -1.127 -6.498 7.936 1.00 0.00 C ATOM 555 CD1 TYR A 37 -1.902 -5.834 6.993 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.698 -6.779 9.172 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.203 -5.463 7.271 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.998 -6.412 9.458 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.747 -5.754 8.504 1.00 0.00 C ATOM 560 OH TYR A 37 -5.043 -5.386 8.786 1.00 0.00 O ATOM 0 H TYR A 37 1.020 -7.308 5.133 1.00 0.00 H new ATOM 0 HA TYR A 37 0.595 -4.928 6.831 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.294 -7.889 7.165 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.851 -6.990 8.563 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.480 -5.604 6.026 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.115 -7.293 9.921 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.791 -4.948 6.526 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.426 -6.639 10.423 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.510 -5.169 7.952 1.00 0.00 H new ATOM 570 N LYS A 38 3.316 -6.654 6.395 1.00 0.00 N ATOM 571 CA LYS A 38 4.751 -6.689 6.652 1.00 0.00 C ATOM 572 C LYS A 38 5.514 -7.142 5.412 1.00 0.00 C ATOM 573 O LYS A 38 4.986 -7.843 4.550 1.00 0.00 O ATOM 574 CB LYS A 38 5.058 -7.624 7.824 1.00 0.00 C ATOM 575 CG LYS A 38 4.461 -9.012 7.666 1.00 0.00 C ATOM 576 CD LYS A 38 3.071 -9.094 8.274 1.00 0.00 C ATOM 577 CE LYS A 38 3.132 -9.309 9.778 1.00 0.00 C ATOM 578 NZ LYS A 38 3.454 -10.722 10.124 1.00 0.00 N ATOM 0 H LYS A 38 3.005 -7.285 5.656 1.00 0.00 H new ATOM 0 HA LYS A 38 5.074 -5.680 6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.139 -7.713 7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.680 -7.177 8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.412 -9.270 6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.111 -9.745 8.143 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.524 -8.176 8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.518 -9.911 7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.885 -8.649 10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.175 -9.035 10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.403 -10.847 11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.770 -11.356 9.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.414 -10.950 9.795 1.00 0.00 H new ATOM 592 N PRO A 39 6.789 -6.734 5.319 1.00 0.00 N ATOM 593 CA PRO A 39 7.653 -7.089 4.190 1.00 0.00 C ATOM 594 C PRO A 39 8.023 -8.568 4.184 1.00 0.00 C ATOM 595 O PRO A 39 7.798 -9.278 5.165 1.00 0.00 O ATOM 596 CB PRO A 39 8.899 -6.227 4.412 1.00 0.00 C ATOM 597 CG PRO A 39 8.923 -5.968 5.878 1.00 0.00 C ATOM 598 CD PRO A 39 7.485 -5.897 6.311 1.00 0.00 C ATOM 0 HA PRO A 39 7.163 -6.916 3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.802 -6.744 4.086 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.843 -5.297 3.846 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.450 -6.763 6.406 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.444 -5.037 6.101 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.351 -6.278 7.323 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.113 -4.872 6.304 1.00 0.00 H new ATOM 606 N VAL A 40 8.593 -9.027 3.075 1.00 0.00 N ATOM 607 CA VAL A 40 8.996 -10.422 2.943 1.00 0.00 C ATOM 608 C VAL A 40 10.481 -10.537 2.617 1.00 0.00 C ATOM 609 O VAL A 40 10.974 -9.898 1.688 1.00 0.00 O ATOM 610 CB VAL A 40 8.184 -11.140 1.848 1.00 0.00 C ATOM 611 CG1 VAL A 40 8.470 -10.528 0.484 1.00 0.00 C ATOM 612 CG2 VAL A 40 8.491 -12.630 1.848 1.00 0.00 C ATOM 0 H VAL A 40 8.786 -8.453 2.254 1.00 0.00 H new ATOM 0 HA VAL A 40 8.800 -10.900 3.903 1.00 0.00 H new ATOM 0 HB VAL A 40 7.123 -11.011 2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.888 -11.048 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.195 -9.473 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.532 -10.624 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.909 -13.121 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.553 -12.783 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.231 -13.055 2.817 1.00 0.00 H new ATOM 622 N ASP A 41 11.188 -11.356 3.388 1.00 0.00 N ATOM 623 CA ASP A 41 12.617 -11.557 3.181 1.00 0.00 C ATOM 624 C ASP A 41 12.874 -12.380 1.922 1.00 0.00 C ATOM 625 O ASP A 41 13.045 -13.597 1.989 1.00 0.00 O ATOM 626 CB ASP A 41 13.237 -12.252 4.395 1.00 0.00 C ATOM 627 CG ASP A 41 14.734 -12.030 4.486 1.00 0.00 C ATOM 628 OD1 ASP A 41 15.397 -12.016 3.428 1.00 0.00 O ATOM 629 OD2 ASP A 41 15.243 -11.871 5.616 1.00 0.00 O ATOM 0 H ASP A 41 10.795 -11.891 4.162 1.00 0.00 H new ATOM 0 HA ASP A 41 13.082 -10.579 3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.762 -11.883 5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.034 -13.322 4.341 1.00 0.00 H new ATOM 634 N ALA A 42 12.898 -11.707 0.777 1.00 0.00 N ATOM 635 CA ALA A 42 13.134 -12.375 -0.497 1.00 0.00 C ATOM 636 C ALA A 42 14.486 -13.081 -0.504 1.00 0.00 C ATOM 637 O ALA A 42 14.555 -14.308 -0.558 1.00 0.00 O ATOM 638 CB ALA A 42 13.053 -11.376 -1.641 1.00 0.00 C ATOM 0 H ALA A 42 12.757 -10.699 0.705 1.00 0.00 H new ATOM 0 HA ALA A 42 12.358 -13.129 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.231 -11.890 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.063 -10.920 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.807 -10.601 -1.501 1.00 0.00 H new ATOM 751 N TYR A 50 11.786 -11.580 -6.767 1.00 0.00 N ATOM 752 CA TYR A 50 10.964 -10.555 -6.134 1.00 0.00 C ATOM 753 C TYR A 50 11.607 -9.178 -6.275 1.00 0.00 C ATOM 754 O TYR A 50 10.930 -8.191 -6.564 1.00 0.00 O ATOM 755 CB TYR A 50 10.752 -10.883 -4.655 1.00 0.00 C ATOM 756 CG TYR A 50 9.587 -10.147 -4.033 1.00 0.00 C ATOM 757 CD1 TYR A 50 9.591 -8.762 -3.927 1.00 0.00 C ATOM 758 CD2 TYR A 50 8.482 -10.838 -3.552 1.00 0.00 C ATOM 759 CE1 TYR A 50 8.529 -8.086 -3.358 1.00 0.00 C ATOM 760 CE2 TYR A 50 7.414 -10.170 -2.983 1.00 0.00 C ATOM 761 CZ TYR A 50 7.443 -8.795 -2.888 1.00 0.00 C ATOM 762 OH TYR A 50 6.382 -8.125 -2.322 1.00 0.00 O ATOM 0 HA TYR A 50 9.997 -10.538 -6.637 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.592 -11.956 -4.549 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.660 -10.640 -4.104 1.00 0.00 H new ATOM 0 HD1 TYR A 50 10.439 -8.204 -4.296 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.457 -11.915 -3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.549 -7.009 -3.282 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.562 -10.722 -2.615 1.00 0.00 H new ATOM 0 HH TYR A 50 5.699 -8.770 -2.043 1.00 0.00 H new ATOM 772 N HIS A 51 12.919 -9.121 -6.068 1.00 0.00 N ATOM 773 CA HIS A 51 13.655 -7.867 -6.173 1.00 0.00 C ATOM 774 C HIS A 51 14.174 -7.657 -7.592 1.00 0.00 C ATOM 775 O HIS A 51 15.185 -6.987 -7.802 1.00 0.00 O ATOM 776 CB HIS A 51 14.822 -7.851 -5.184 1.00 0.00 C ATOM 777 CG HIS A 51 14.436 -7.398 -3.810 1.00 0.00 C ATOM 778 ND1 HIS A 51 13.724 -6.242 -3.571 1.00 0.00 N ATOM 779 CD2 HIS A 51 14.666 -7.955 -2.597 1.00 0.00 C ATOM 780 CE1 HIS A 51 13.534 -6.105 -2.270 1.00 0.00 C ATOM 781 NE2 HIS A 51 14.095 -7.132 -1.657 1.00 0.00 N ATOM 0 H HIS A 51 13.494 -9.928 -5.827 1.00 0.00 H new ATOM 0 HA HIS A 51 12.971 -7.053 -5.931 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.248 -8.852 -5.121 1.00 0.00 H new ATOM 0 HB3 HIS A 51 15.604 -7.195 -5.568 1.00 0.00 H new ATOM 0 HD2 HIS A 51 15.199 -8.875 -2.405 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.010 -5.292 -1.790 1.00 0.00 H new ATOM 0 HE2 HIS A 51 14.103 -7.288 -0.649 1.00 0.00 H new ATOM 789 N ASP A 52 13.475 -8.236 -8.563 1.00 0.00 N ATOM 790 CA ASP A 52 13.864 -8.112 -9.963 1.00 0.00 C ATOM 791 C ASP A 52 12.759 -7.448 -10.778 1.00 0.00 C ATOM 792 O ASP A 52 13.030 -6.638 -11.665 1.00 0.00 O ATOM 793 CB ASP A 52 14.189 -9.488 -10.547 1.00 0.00 C ATOM 794 CG ASP A 52 15.569 -9.974 -10.152 1.00 0.00 C ATOM 795 OD1 ASP A 52 16.051 -9.576 -9.071 1.00 0.00 O ATOM 796 OD2 ASP A 52 16.169 -10.752 -10.924 1.00 0.00 O ATOM 0 H ASP A 52 12.637 -8.795 -8.406 1.00 0.00 H new ATOM 0 HA ASP A 52 14.754 -7.485 -10.013 1.00 0.00 H new ATOM 0 HB2 ASP A 52 13.443 -10.208 -10.210 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.120 -9.443 -11.634 1.00 0.00 H new ATOM 801 N ILE A 53 11.514 -7.796 -10.471 1.00 0.00 N ATOM 802 CA ILE A 53 10.369 -7.233 -11.175 1.00 0.00 C ATOM 803 C ILE A 53 9.872 -5.964 -10.490 1.00 0.00 C ATOM 804 O ILE A 53 9.609 -4.955 -11.145 1.00 0.00 O ATOM 805 CB ILE A 53 9.210 -8.243 -11.263 1.00 0.00 C ATOM 806 CG1 ILE A 53 9.617 -9.447 -12.114 1.00 0.00 C ATOM 807 CG2 ILE A 53 7.969 -7.577 -11.838 1.00 0.00 C ATOM 808 CD1 ILE A 53 10.280 -10.551 -11.320 1.00 0.00 C ATOM 0 H ILE A 53 11.273 -8.465 -9.740 1.00 0.00 H new ATOM 0 HA ILE A 53 10.706 -6.991 -12.183 1.00 0.00 H new ATOM 0 HB ILE A 53 8.977 -8.594 -10.258 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.732 -9.847 -12.609 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.298 -9.115 -12.897 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.159 -8.304 -11.894 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.670 -6.749 -11.196 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.188 -7.200 -12.837 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.542 -11.372 -11.987 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.183 -10.166 -10.846 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.593 -10.911 -10.554 1.00 0.00 H new ATOM 820 N ILE A 54 9.746 -6.022 -9.168 1.00 0.00 N ATOM 821 CA ILE A 54 9.284 -4.877 -8.394 1.00 0.00 C ATOM 822 C ILE A 54 10.401 -3.857 -8.201 1.00 0.00 C ATOM 823 O ILE A 54 11.330 -4.077 -7.423 1.00 0.00 O ATOM 824 CB ILE A 54 8.752 -5.308 -7.015 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.652 -6.359 -7.173 1.00 0.00 C ATOM 826 CG2 ILE A 54 8.233 -4.101 -6.247 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.401 -5.828 -7.837 1.00 0.00 C ATOM 0 H ILE A 54 9.958 -6.850 -8.611 1.00 0.00 H new ATOM 0 HA ILE A 54 8.473 -4.420 -8.960 1.00 0.00 H new ATOM 0 HB ILE A 54 9.571 -5.750 -6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.039 -7.193 -7.759 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.393 -6.753 -6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.860 -4.422 -5.274 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.042 -3.383 -6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.425 -3.632 -6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.664 -6.627 -7.916 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.990 -5.013 -7.241 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.646 -5.460 -8.833 1.00 0.00 H new ATOM 839 N LYS A 55 10.304 -2.739 -8.912 1.00 0.00 N ATOM 840 CA LYS A 55 11.303 -1.682 -8.817 1.00 0.00 C ATOM 841 C LYS A 55 11.303 -1.055 -7.426 1.00 0.00 C ATOM 842 O LYS A 55 12.326 -1.040 -6.741 1.00 0.00 O ATOM 843 CB LYS A 55 11.040 -0.606 -9.873 1.00 0.00 C ATOM 844 CG LYS A 55 11.136 -1.118 -11.300 1.00 0.00 C ATOM 845 CD LYS A 55 12.579 -1.355 -11.711 1.00 0.00 C ATOM 846 CE LYS A 55 13.196 -0.109 -12.328 1.00 0.00 C ATOM 847 NZ LYS A 55 14.498 -0.403 -12.987 1.00 0.00 N ATOM 0 H LYS A 55 9.542 -2.542 -9.561 1.00 0.00 H new ATOM 0 HA LYS A 55 12.282 -2.126 -8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.047 -0.186 -9.712 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.755 0.206 -9.738 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.573 -2.047 -11.393 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.677 -0.398 -11.978 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.161 -1.657 -10.840 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.624 -2.177 -12.426 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.507 0.314 -13.059 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.343 0.645 -11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.886 0.471 -13.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.165 -0.783 -12.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.354 -1.103 -13.742 1.00 0.00 H new ATOM 861 N HIS A 56 10.148 -0.541 -7.015 1.00 0.00 N ATOM 862 CA HIS A 56 10.014 0.085 -5.704 1.00 0.00 C ATOM 863 C HIS A 56 8.802 -0.467 -4.960 1.00 0.00 C ATOM 864 O HIS A 56 7.688 0.045 -5.072 1.00 0.00 O ATOM 865 CB HIS A 56 9.890 1.602 -5.850 1.00 0.00 C ATOM 866 CG HIS A 56 10.971 2.214 -6.688 1.00 0.00 C ATOM 867 ND1 HIS A 56 12.313 1.991 -6.464 1.00 0.00 N ATOM 868 CD2 HIS A 56 10.902 3.043 -7.755 1.00 0.00 C ATOM 869 CE1 HIS A 56 13.023 2.659 -7.356 1.00 0.00 C ATOM 870 NE2 HIS A 56 12.190 3.305 -8.152 1.00 0.00 N ATOM 0 H HIS A 56 9.292 -0.546 -7.570 1.00 0.00 H new ATOM 0 HA HIS A 56 10.909 -0.145 -5.126 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.922 1.838 -6.291 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.908 2.057 -4.860 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.001 3.427 -8.210 1.00 0.00 H new ATOM 0 HE1 HIS A 56 14.101 2.674 -7.423 1.00 0.00 H new ATOM 0 HE2 HIS A 56 12.460 3.901 -8.934 1.00 0.00 H new ATOM 878 N PRO A 57 9.022 -1.536 -4.181 1.00 0.00 N ATOM 879 CA PRO A 57 7.960 -2.181 -3.403 1.00 0.00 C ATOM 880 C PRO A 57 7.482 -1.313 -2.244 1.00 0.00 C ATOM 881 O PRO A 57 8.276 -0.623 -1.605 1.00 0.00 O ATOM 882 CB PRO A 57 8.628 -3.454 -2.878 1.00 0.00 C ATOM 883 CG PRO A 57 10.082 -3.134 -2.847 1.00 0.00 C ATOM 884 CD PRO A 57 10.325 -2.199 -3.999 1.00 0.00 C ATOM 0 HA PRO A 57 7.070 -2.367 -4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.259 -3.714 -1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.424 -4.305 -3.528 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.359 -2.668 -1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.683 -4.038 -2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.113 -1.481 -3.774 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.631 -2.737 -4.896 1.00 0.00 H new ATOM 892 N MET A 58 6.180 -1.353 -1.978 1.00 0.00 N ATOM 893 CA MET A 58 5.598 -0.571 -0.894 1.00 0.00 C ATOM 894 C MET A 58 4.627 -1.416 -0.075 1.00 0.00 C ATOM 895 O MET A 58 4.000 -2.338 -0.596 1.00 0.00 O ATOM 896 CB MET A 58 4.877 0.657 -1.453 1.00 0.00 C ATOM 897 CG MET A 58 4.193 1.498 -0.387 1.00 0.00 C ATOM 898 SD MET A 58 5.367 2.368 0.670 1.00 0.00 S ATOM 899 CE MET A 58 6.100 3.505 -0.503 1.00 0.00 C ATOM 0 H MET A 58 5.509 -1.918 -2.498 1.00 0.00 H new ATOM 0 HA MET A 58 6.407 -0.243 -0.241 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.596 1.278 -1.988 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.133 0.332 -2.180 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.536 2.223 -0.868 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.563 0.856 0.228 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.520 4.358 0.031 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.890 2.998 -1.056 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.336 3.853 -1.199 1.00 0.00 H new ATOM 909 N ASP A 59 4.509 -1.095 1.209 1.00 0.00 N ATOM 910 CA ASP A 59 3.614 -1.825 2.100 1.00 0.00 C ATOM 911 C ASP A 59 2.993 -0.888 3.131 1.00 0.00 C ATOM 912 O ASP A 59 3.544 0.170 3.437 1.00 0.00 O ATOM 913 CB ASP A 59 4.370 -2.952 2.806 1.00 0.00 C ATOM 914 CG ASP A 59 3.485 -3.735 3.756 1.00 0.00 C ATOM 915 OD1 ASP A 59 3.251 -3.252 4.883 1.00 0.00 O ATOM 916 OD2 ASP A 59 3.027 -4.831 3.371 1.00 0.00 O ATOM 0 H ASP A 59 5.021 -0.335 1.656 1.00 0.00 H new ATOM 0 HA ASP A 59 2.814 -2.257 1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.787 -3.629 2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.210 -2.532 3.359 1.00 0.00 H new ATOM 921 N LEU A 60 1.842 -1.284 3.664 1.00 0.00 N ATOM 922 CA LEU A 60 1.144 -0.479 4.661 1.00 0.00 C ATOM 923 C LEU A 60 2.107 0.009 5.738 1.00 0.00 C ATOM 924 O LEU A 60 2.105 1.186 6.099 1.00 0.00 O ATOM 925 CB LEU A 60 0.016 -1.291 5.301 1.00 0.00 C ATOM 926 CG LEU A 60 -1.229 -1.504 4.439 1.00 0.00 C ATOM 927 CD1 LEU A 60 -2.115 -2.585 5.038 1.00 0.00 C ATOM 928 CD2 LEU A 60 -2.003 -0.202 4.288 1.00 0.00 C ATOM 0 H LEU A 60 1.373 -2.157 3.423 1.00 0.00 H new ATOM 0 HA LEU A 60 0.719 0.390 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.411 -2.267 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.285 -0.793 6.223 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.910 -1.831 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.996 -2.722 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.560 -3.521 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.426 -2.287 6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.886 -0.373 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.310 0.155 5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.368 0.546 3.813 1.00 0.00 H new ATOM 940 N SER A 61 2.932 -0.902 6.245 1.00 0.00 N ATOM 941 CA SER A 61 3.900 -0.564 7.282 1.00 0.00 C ATOM 942 C SER A 61 4.535 0.796 7.009 1.00 0.00 C ATOM 943 O SER A 61 4.707 1.608 7.919 1.00 0.00 O ATOM 944 CB SER A 61 4.985 -1.639 7.366 1.00 0.00 C ATOM 945 OG SER A 61 5.750 -1.500 8.550 1.00 0.00 O ATOM 0 H SER A 61 2.949 -1.880 5.954 1.00 0.00 H new ATOM 0 HA SER A 61 3.373 -0.515 8.235 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.525 -2.627 7.340 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.639 -1.569 6.497 1.00 0.00 H new ATOM 0 HG SER A 61 6.435 -2.200 8.581 1.00 0.00 H new ATOM 951 N THR A 62 4.883 1.038 5.749 1.00 0.00 N ATOM 952 CA THR A 62 5.500 2.298 5.355 1.00 0.00 C ATOM 953 C THR A 62 4.483 3.433 5.357 1.00 0.00 C ATOM 954 O THR A 62 4.782 4.548 5.783 1.00 0.00 O ATOM 955 CB THR A 62 6.138 2.198 3.956 1.00 0.00 C ATOM 956 OG1 THR A 62 7.114 1.151 3.937 1.00 0.00 O ATOM 957 CG2 THR A 62 6.791 3.514 3.564 1.00 0.00 C ATOM 0 H THR A 62 4.748 0.377 4.984 1.00 0.00 H new ATOM 0 HA THR A 62 6.279 2.511 6.087 1.00 0.00 H new ATOM 0 HB THR A 62 5.350 1.973 3.237 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.514 1.093 3.044 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.235 3.419 2.573 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.040 4.303 3.551 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.568 3.764 4.287 1.00 0.00 H new ATOM 965 N VAL A 63 3.277 3.142 4.877 1.00 0.00 N ATOM 966 CA VAL A 63 2.214 4.139 4.826 1.00 0.00 C ATOM 967 C VAL A 63 1.871 4.649 6.220 1.00 0.00 C ATOM 968 O VAL A 63 2.028 5.834 6.517 1.00 0.00 O ATOM 969 CB VAL A 63 0.942 3.568 4.172 1.00 0.00 C ATOM 970 CG1 VAL A 63 -0.155 4.621 4.129 1.00 0.00 C ATOM 971 CG2 VAL A 63 1.248 3.047 2.776 1.00 0.00 C ATOM 0 H VAL A 63 3.012 2.225 4.518 1.00 0.00 H new ATOM 0 HA VAL A 63 2.585 4.967 4.222 1.00 0.00 H new ATOM 0 HB VAL A 63 0.587 2.733 4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.046 4.199 3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.392 4.941 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.186 5.478 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.338 2.647 2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.628 3.861 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.998 2.259 2.838 1.00 0.00 H new ATOM 981 N LYS A 64 1.401 3.747 7.076 1.00 0.00 N ATOM 982 CA LYS A 64 1.037 4.104 8.442 1.00 0.00 C ATOM 983 C LYS A 64 2.098 5.000 9.071 1.00 0.00 C ATOM 984 O LYS A 64 1.782 6.040 9.650 1.00 0.00 O ATOM 985 CB LYS A 64 0.852 2.842 9.288 1.00 0.00 C ATOM 986 CG LYS A 64 0.403 3.125 10.711 1.00 0.00 C ATOM 987 CD LYS A 64 -1.065 3.515 10.766 1.00 0.00 C ATOM 988 CE LYS A 64 -1.544 3.681 12.200 1.00 0.00 C ATOM 989 NZ LYS A 64 -1.349 5.073 12.692 1.00 0.00 N ATOM 0 H LYS A 64 1.263 2.763 6.847 1.00 0.00 H new ATOM 0 HA LYS A 64 0.096 4.653 8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.118 2.196 8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.792 2.292 9.315 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.569 2.242 11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.009 3.927 11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.216 4.447 10.221 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.664 2.753 10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.600 3.418 12.263 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.004 2.989 12.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.688 5.145 13.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.338 5.316 12.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.885 5.732 12.091 1.00 0.00 H new ATOM 1003 N ARG A 65 3.357 4.592 8.953 1.00 0.00 N ATOM 1004 CA ARG A 65 4.465 5.358 9.511 1.00 0.00 C ATOM 1005 C ARG A 65 4.503 6.765 8.923 1.00 0.00 C ATOM 1006 O ARG A 65 4.354 7.755 9.640 1.00 0.00 O ATOM 1007 CB ARG A 65 5.792 4.646 9.244 1.00 0.00 C ATOM 1008 CG ARG A 65 5.928 3.318 9.971 1.00 0.00 C ATOM 1009 CD ARG A 65 6.517 3.503 11.361 1.00 0.00 C ATOM 1010 NE ARG A 65 6.096 2.447 12.279 1.00 0.00 N ATOM 1011 CZ ARG A 65 4.923 2.439 12.901 1.00 0.00 C ATOM 1012 NH1 ARG A 65 4.058 3.425 12.706 1.00 0.00 N ATOM 1013 NH2 ARG A 65 4.612 1.443 13.721 1.00 0.00 N ATOM 0 H ARG A 65 3.636 3.735 8.476 1.00 0.00 H new ATOM 0 HA ARG A 65 4.314 5.436 10.588 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.894 4.476 8.172 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.612 5.300 9.542 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.950 2.843 10.049 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.563 2.648 9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.605 3.514 11.295 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.212 4.471 11.758 1.00 0.00 H new ATOM 0 HE ARG A 65 6.738 1.674 12.451 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.293 4.193 12.077 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.158 3.416 13.185 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.274 0.683 13.874 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.711 1.438 14.198 1.00 0.00 H new ATOM 1027 N LYS A 66 4.704 6.848 7.612 1.00 0.00 N ATOM 1028 CA LYS A 66 4.761 8.132 6.925 1.00 0.00 C ATOM 1029 C LYS A 66 3.608 9.032 7.357 1.00 0.00 C ATOM 1030 O LYS A 66 3.821 10.161 7.799 1.00 0.00 O ATOM 1031 CB LYS A 66 4.720 7.926 5.409 1.00 0.00 C ATOM 1032 CG LYS A 66 5.988 7.311 4.844 1.00 0.00 C ATOM 1033 CD LYS A 66 5.872 7.065 3.349 1.00 0.00 C ATOM 1034 CE LYS A 66 6.207 8.316 2.551 1.00 0.00 C ATOM 1035 NZ LYS A 66 7.671 8.443 2.309 1.00 0.00 N ATOM 0 H LYS A 66 4.830 6.039 7.003 1.00 0.00 H new ATOM 0 HA LYS A 66 5.699 8.618 7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.874 7.285 5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.545 8.887 4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.832 7.972 5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.195 6.370 5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.543 6.257 3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.859 6.740 3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.682 8.289 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.850 9.195 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.859 9.308 1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.170 8.494 3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.008 7.616 1.775 1.00 0.00 H new ATOM 1049 N MET A 67 2.387 8.525 7.229 1.00 0.00 N ATOM 1050 CA MET A 67 1.200 9.283 7.610 1.00 0.00 C ATOM 1051 C MET A 67 1.310 9.778 9.048 1.00 0.00 C ATOM 1052 O MET A 67 0.981 10.927 9.346 1.00 0.00 O ATOM 1053 CB MET A 67 -0.054 8.422 7.449 1.00 0.00 C ATOM 1054 CG MET A 67 -1.335 9.133 7.856 1.00 0.00 C ATOM 1055 SD MET A 67 -1.564 10.699 6.992 1.00 0.00 S ATOM 1056 CE MET A 67 -3.061 10.360 6.068 1.00 0.00 C ATOM 0 H MET A 67 2.193 7.592 6.864 1.00 0.00 H new ATOM 0 HA MET A 67 1.125 10.148 6.951 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.138 8.107 6.409 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.056 7.518 8.048 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.187 8.483 7.654 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.320 9.314 8.931 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.896 10.581 5.013 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.328 9.309 6.181 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.871 10.983 6.446 1.00 0.00 H new ATOM 1066 N ASP A 68 1.774 8.906 9.936 1.00 0.00 N ATOM 1067 CA ASP A 68 1.928 9.256 11.343 1.00 0.00 C ATOM 1068 C ASP A 68 2.654 10.589 11.496 1.00 0.00 C ATOM 1069 O ASP A 68 2.159 11.505 12.150 1.00 0.00 O ATOM 1070 CB ASP A 68 2.693 8.157 12.083 1.00 0.00 C ATOM 1071 CG ASP A 68 2.671 8.348 13.587 1.00 0.00 C ATOM 1072 OD1 ASP A 68 3.320 9.297 14.074 1.00 0.00 O ATOM 1073 OD2 ASP A 68 2.004 7.549 14.277 1.00 0.00 O ATOM 0 H ASP A 68 2.050 7.951 9.706 1.00 0.00 H new ATOM 0 HA ASP A 68 0.933 9.353 11.778 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.260 7.188 11.836 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.726 8.142 11.737 1.00 0.00 H new ATOM 1078 N GLY A 69 3.832 10.688 10.887 1.00 0.00 N ATOM 1079 CA GLY A 69 4.608 11.912 10.968 1.00 0.00 C ATOM 1080 C GLY A 69 4.173 12.943 9.946 1.00 0.00 C ATOM 1081 O GLY A 69 4.974 13.768 9.507 1.00 0.00 O ATOM 0 H GLY A 69 4.262 9.943 10.339 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.512 12.334 11.968 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.663 11.680 10.820 1.00 0.00 H new ATOM 1085 N ARG A 70 2.900 12.896 9.565 1.00 0.00 N ATOM 1086 CA ARG A 70 2.361 13.832 8.586 1.00 0.00 C ATOM 1087 C ARG A 70 3.318 14.000 7.410 1.00 0.00 C ATOM 1088 O ARG A 70 3.414 15.078 6.825 1.00 0.00 O ATOM 1089 CB ARG A 70 2.095 15.190 9.238 1.00 0.00 C ATOM 1090 CG ARG A 70 1.259 15.103 10.505 1.00 0.00 C ATOM 1091 CD ARG A 70 -0.216 14.916 10.187 1.00 0.00 C ATOM 1092 NE ARG A 70 -1.076 15.478 11.225 1.00 0.00 N ATOM 1093 CZ ARG A 70 -1.386 14.838 12.348 1.00 0.00 C ATOM 1094 NH1 ARG A 70 -0.909 13.623 12.576 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -2.174 15.416 13.246 1.00 0.00 N ATOM 0 H ARG A 70 2.223 12.220 9.919 1.00 0.00 H new ATOM 0 HA ARG A 70 1.421 13.426 8.213 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.048 15.664 9.473 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.587 15.835 8.521 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.609 14.271 11.117 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.393 16.010 11.094 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.444 15.390 9.232 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.431 13.853 10.075 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.459 16.412 11.080 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.302 13.176 11.889 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.149 13.135 13.439 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.542 16.352 13.075 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.412 14.924 14.108 1.00 0.00 H new ATOM 1109 N GLU A 71 4.025 12.926 7.070 1.00 0.00 N ATOM 1110 CA GLU A 71 4.976 12.956 5.965 1.00 0.00 C ATOM 1111 C GLU A 71 4.301 13.428 4.680 1.00 0.00 C ATOM 1112 O GLU A 71 4.900 14.146 3.879 1.00 0.00 O ATOM 1113 CB GLU A 71 5.590 11.571 5.754 1.00 0.00 C ATOM 1114 CG GLU A 71 6.787 11.292 6.647 1.00 0.00 C ATOM 1115 CD GLU A 71 8.101 11.681 5.998 1.00 0.00 C ATOM 1116 OE1 GLU A 71 8.307 12.887 5.749 1.00 0.00 O ATOM 1117 OE2 GLU A 71 8.924 10.778 5.739 1.00 0.00 O ATOM 0 H GLU A 71 3.957 12.025 7.544 1.00 0.00 H new ATOM 0 HA GLU A 71 5.768 13.661 6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.828 10.814 5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.894 11.473 4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.673 11.838 7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.810 10.231 6.898 1.00 0.00 H new ATOM 1124 N TYR A 72 3.053 13.017 4.490 1.00 0.00 N ATOM 1125 CA TYR A 72 2.297 13.394 3.301 1.00 0.00 C ATOM 1126 C TYR A 72 1.807 14.835 3.401 1.00 0.00 C ATOM 1127 O TYR A 72 1.097 15.213 4.334 1.00 0.00 O ATOM 1128 CB TYR A 72 1.108 12.451 3.106 1.00 0.00 C ATOM 1129 CG TYR A 72 1.495 10.990 3.062 1.00 0.00 C ATOM 1130 CD1 TYR A 72 2.449 10.531 2.162 1.00 0.00 C ATOM 1131 CD2 TYR A 72 0.905 10.069 3.918 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.805 9.197 2.117 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.256 8.733 3.881 1.00 0.00 C ATOM 1134 CZ TYR A 72 2.206 8.302 2.978 1.00 0.00 C ATOM 1135 OH TYR A 72 2.557 6.972 2.938 1.00 0.00 O ATOM 0 H TYR A 72 2.543 12.423 5.144 1.00 0.00 H new ATOM 0 HA TYR A 72 2.960 13.314 2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.396 12.605 3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.597 12.711 2.179 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.920 11.229 1.486 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.159 10.403 4.624 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.548 8.857 1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.789 8.030 4.555 1.00 0.00 H new ATOM 0 HH TYR A 72 1.883 6.471 2.433 1.00 0.00 H new ATOM 1145 N PRO A 73 2.193 15.660 2.417 1.00 0.00 N ATOM 1146 CA PRO A 73 1.804 17.073 2.370 1.00 0.00 C ATOM 1147 C PRO A 73 0.320 17.256 2.074 1.00 0.00 C ATOM 1148 O PRO A 73 -0.272 18.277 2.424 1.00 0.00 O ATOM 1149 CB PRO A 73 2.651 17.636 1.226 1.00 0.00 C ATOM 1150 CG PRO A 73 2.938 16.463 0.354 1.00 0.00 C ATOM 1151 CD PRO A 73 3.039 15.278 1.274 1.00 0.00 C ATOM 0 HA PRO A 73 1.967 17.573 3.325 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.114 18.412 0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.571 18.086 1.599 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.146 16.320 -0.381 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.865 16.607 -0.201 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.681 14.366 0.796 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.069 15.094 1.580 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.277 16.261 1.427 1.00 0.00 N ATOM 1160 CA ASP A 74 -1.693 16.312 1.085 1.00 0.00 C ATOM 1161 C ASP A 74 -2.240 14.911 0.825 1.00 0.00 C ATOM 1162 O ASP A 74 -1.479 13.959 0.652 1.00 0.00 O ATOM 1163 CB ASP A 74 -1.912 17.195 -0.145 1.00 0.00 C ATOM 1164 CG ASP A 74 -1.506 18.635 0.098 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -2.234 19.342 0.825 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -0.460 19.056 -0.441 1.00 0.00 O ATOM 0 H ASP A 74 0.198 15.409 1.129 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.230 16.742 1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.340 16.795 -0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.963 17.160 -0.432 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.564 14.794 0.798 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.212 13.510 0.558 1.00 0.00 C ATOM 1173 C ALA A 75 -3.553 12.771 -0.601 1.00 0.00 C ATOM 1174 O ALA A 75 -3.370 11.555 -0.549 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.695 13.712 0.284 1.00 0.00 C ATOM 0 H ALA A 75 -4.208 15.572 0.939 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.099 12.900 1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.167 12.746 0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.162 14.191 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.820 14.344 -0.595 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.200 13.513 -1.646 1.00 0.00 N ATOM 1182 CA GLN A 76 -2.563 12.926 -2.819 1.00 0.00 C ATOM 1183 C GLN A 76 -1.361 12.077 -2.418 1.00 0.00 C ATOM 1184 O GLN A 76 -1.196 10.954 -2.891 1.00 0.00 O ATOM 1185 CB GLN A 76 -2.126 14.023 -3.791 1.00 0.00 C ATOM 1186 CG GLN A 76 -3.278 14.646 -4.563 1.00 0.00 C ATOM 1187 CD GLN A 76 -4.477 14.943 -3.684 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -4.561 16.005 -3.068 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -5.413 14.003 -3.622 1.00 0.00 N ATOM 0 H GLN A 76 -3.344 14.521 -1.704 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.291 12.282 -3.313 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.608 14.804 -3.235 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.409 13.606 -4.498 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.939 15.570 -5.032 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.579 13.973 -5.366 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.302 13.137 -4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.243 14.147 -3.047 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.523 12.623 -1.542 1.00 0.00 N ATOM 1199 CA GLY A 77 0.654 11.903 -1.092 1.00 0.00 C ATOM 1200 C GLY A 77 0.306 10.604 -0.392 1.00 0.00 C ATOM 1201 O GLY A 77 0.861 9.551 -0.709 1.00 0.00 O ATOM 0 H GLY A 77 -0.638 13.551 -1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.296 11.691 -1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.226 12.536 -0.414 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.614 10.677 0.564 1.00 0.00 N ATOM 1206 CA PHE A 78 -1.033 9.499 1.314 1.00 0.00 C ATOM 1207 C PHE A 78 -1.486 8.388 0.371 1.00 0.00 C ATOM 1208 O PHE A 78 -0.964 7.274 0.411 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.165 9.858 2.278 1.00 0.00 C ATOM 1210 CG PHE A 78 -2.998 8.678 2.691 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.475 7.701 3.522 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -4.304 8.546 2.247 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -3.239 6.614 3.902 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -5.073 7.462 2.625 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.540 6.495 3.454 1.00 0.00 C ATOM 0 H PHE A 78 -1.084 11.540 0.838 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.178 9.140 1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.740 10.322 3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.810 10.601 1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.459 7.790 3.877 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.726 9.299 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.819 5.858 4.549 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.090 7.371 2.272 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.139 5.647 3.752 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.461 8.700 -0.476 1.00 0.00 N ATOM 1226 CA ALA A 79 -2.984 7.729 -1.430 1.00 0.00 C ATOM 1227 C ALA A 79 -1.888 7.236 -2.368 1.00 0.00 C ATOM 1228 O ALA A 79 -1.708 6.032 -2.549 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.130 8.336 -2.226 1.00 0.00 C ATOM 0 H ALA A 79 -2.905 9.617 -0.521 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.359 6.872 -0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.511 7.600 -2.934 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.929 8.632 -1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.773 9.211 -2.769 1.00 0.00 H new ATOM 1235 N ALA A 80 -1.159 8.175 -2.963 1.00 0.00 N ATOM 1236 CA ALA A 80 -0.080 7.835 -3.882 1.00 0.00 C ATOM 1237 C ALA A 80 0.622 6.550 -3.454 1.00 0.00 C ATOM 1238 O ALA A 80 0.721 5.599 -4.229 1.00 0.00 O ATOM 1239 CB ALA A 80 0.918 8.980 -3.970 1.00 0.00 C ATOM 0 H ALA A 80 -1.296 9.176 -2.825 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.514 7.669 -4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.719 8.713 -4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.413 9.876 -4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.339 9.173 -2.983 1.00 0.00 H new ATOM 1245 N ASP A 81 1.107 6.531 -2.218 1.00 0.00 N ATOM 1246 CA ASP A 81 1.799 5.362 -1.687 1.00 0.00 C ATOM 1247 C ASP A 81 0.904 4.129 -1.740 1.00 0.00 C ATOM 1248 O ASP A 81 1.285 3.095 -2.289 1.00 0.00 O ATOM 1249 CB ASP A 81 2.249 5.620 -0.247 1.00 0.00 C ATOM 1250 CG ASP A 81 3.523 6.438 -0.176 1.00 0.00 C ATOM 1251 OD1 ASP A 81 3.514 7.591 -0.655 1.00 0.00 O ATOM 1252 OD2 ASP A 81 4.529 5.925 0.357 1.00 0.00 O ATOM 0 H ASP A 81 1.034 7.311 -1.565 1.00 0.00 H new ATOM 0 HA ASP A 81 2.677 5.178 -2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.456 6.140 0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.404 4.667 0.258 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.289 4.245 -1.165 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.240 3.139 -1.146 1.00 0.00 C ATOM 1259 C VAL A 82 -1.442 2.565 -2.544 1.00 0.00 C ATOM 1260 O VAL A 82 -1.266 1.367 -2.765 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.604 3.581 -0.583 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -3.565 2.404 -0.527 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.434 4.207 0.793 1.00 0.00 C ATOM 0 H VAL A 82 -0.620 5.094 -0.706 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.819 2.371 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.027 4.333 -1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.523 2.735 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.710 2.004 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.152 1.627 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.407 4.514 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.990 3.479 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.783 5.078 0.719 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.812 3.428 -3.485 1.00 0.00 N ATOM 1274 CA ARG A 83 -2.038 3.006 -4.862 1.00 0.00 C ATOM 1275 C ARG A 83 -0.829 2.250 -5.405 1.00 0.00 C ATOM 1276 O ARG A 83 -0.969 1.186 -6.009 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.334 4.219 -5.747 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.619 4.942 -5.379 1.00 0.00 C ATOM 1279 CD ARG A 83 -4.233 5.635 -6.585 1.00 0.00 C ATOM 1280 NE ARG A 83 -4.564 4.691 -7.649 1.00 0.00 N ATOM 1281 CZ ARG A 83 -5.436 4.952 -8.617 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -6.060 6.121 -8.656 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -5.684 4.041 -9.551 1.00 0.00 N ATOM 0 H ARG A 83 -1.961 4.423 -3.319 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.898 2.337 -4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.501 4.919 -5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.394 3.894 -6.786 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.333 4.230 -4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.414 5.677 -4.601 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.134 6.166 -6.278 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.537 6.382 -6.967 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.101 3.782 -7.649 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.871 6.824 -7.941 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.729 6.318 -9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.205 3.141 -9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.353 4.242 -10.294 1.00 0.00 H new ATOM 1297 N LEU A 84 0.357 2.806 -5.186 1.00 0.00 N ATOM 1298 CA LEU A 84 1.591 2.185 -5.654 1.00 0.00 C ATOM 1299 C LEU A 84 1.740 0.776 -5.089 1.00 0.00 C ATOM 1300 O LEU A 84 2.173 -0.141 -5.786 1.00 0.00 O ATOM 1301 CB LEU A 84 2.797 3.037 -5.254 1.00 0.00 C ATOM 1302 CG LEU A 84 4.157 2.339 -5.302 1.00 0.00 C ATOM 1303 CD1 LEU A 84 4.615 2.160 -6.741 1.00 0.00 C ATOM 1304 CD2 LEU A 84 5.189 3.126 -4.507 1.00 0.00 C ATOM 0 H LEU A 84 0.490 3.686 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 84 1.545 2.118 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.835 3.908 -5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.636 3.406 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 84 4.053 1.353 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.584 1.662 -6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.888 1.554 -7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.702 3.136 -7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.150 2.615 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.289 4.125 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.867 3.202 -3.468 1.00 0.00 H new ATOM 1316 N MET A 85 1.375 0.611 -3.821 1.00 0.00 N ATOM 1317 CA MET A 85 1.465 -0.687 -3.164 1.00 0.00 C ATOM 1318 C MET A 85 0.605 -1.721 -3.883 1.00 0.00 C ATOM 1319 O MET A 85 1.044 -2.845 -4.130 1.00 0.00 O ATOM 1320 CB MET A 85 1.030 -0.573 -1.701 1.00 0.00 C ATOM 1321 CG MET A 85 0.839 -1.917 -1.018 1.00 0.00 C ATOM 1322 SD MET A 85 -0.030 -1.779 0.556 1.00 0.00 S ATOM 1323 CE MET A 85 -1.724 -1.621 -0.005 1.00 0.00 C ATOM 0 H MET A 85 1.015 1.360 -3.229 1.00 0.00 H new ATOM 0 HA MET A 85 2.504 -1.015 -3.202 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.776 0.002 -1.152 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.096 -0.013 -1.651 1.00 0.00 H new ATOM 0 HG2 MET A 85 0.282 -2.580 -1.679 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.813 -2.377 -0.852 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.233 -0.859 0.585 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.734 -1.333 -1.056 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.237 -2.575 0.115 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.622 -1.335 -4.216 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.545 -2.230 -4.905 1.00 0.00 C ATOM 1335 C PHE A 86 -1.019 -2.590 -6.292 1.00 0.00 C ATOM 1336 O PHE A 86 -1.155 -3.727 -6.743 1.00 0.00 O ATOM 1337 CB PHE A 86 -2.925 -1.581 -5.024 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.728 -1.643 -3.756 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -4.141 -2.862 -3.242 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -4.070 -0.484 -3.079 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -4.880 -2.923 -2.075 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.808 -0.539 -1.912 1.00 0.00 C ATOM 1343 CZ PHE A 86 -5.215 -1.760 -1.410 1.00 0.00 C ATOM 0 H PHE A 86 -1.001 -0.408 -4.020 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.631 -3.145 -4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.803 -0.538 -5.317 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.482 -2.073 -5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.883 -3.774 -3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.756 0.474 -3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.195 -3.879 -1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.066 0.372 -1.393 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.794 -1.805 -0.499 1.00 0.00 H new ATOM 1353 N SER A 87 -0.417 -1.612 -6.962 1.00 0.00 N ATOM 1354 CA SER A 87 0.126 -1.824 -8.299 1.00 0.00 C ATOM 1355 C SER A 87 1.213 -2.893 -8.280 1.00 0.00 C ATOM 1356 O SER A 87 1.153 -3.869 -9.028 1.00 0.00 O ATOM 1357 CB SER A 87 0.691 -0.516 -8.856 1.00 0.00 C ATOM 1358 OG SER A 87 0.790 -0.563 -10.268 1.00 0.00 O ATOM 0 H SER A 87 -0.293 -0.666 -6.601 1.00 0.00 H new ATOM 0 HA SER A 87 -0.684 -2.165 -8.944 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.051 0.315 -8.561 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.675 -0.329 -8.426 1.00 0.00 H new ATOM 0 HG SER A 87 1.152 0.285 -10.599 1.00 0.00 H new ATOM 1364 N ASN A 88 2.208 -2.702 -7.420 1.00 0.00 N ATOM 1365 CA ASN A 88 3.311 -3.650 -7.303 1.00 0.00 C ATOM 1366 C ASN A 88 2.795 -5.046 -6.970 1.00 0.00 C ATOM 1367 O ASN A 88 3.245 -6.039 -7.544 1.00 0.00 O ATOM 1368 CB ASN A 88 4.296 -3.188 -6.228 1.00 0.00 C ATOM 1369 CG ASN A 88 5.001 -1.899 -6.605 1.00 0.00 C ATOM 1370 OD1 ASN A 88 5.234 -1.628 -7.783 1.00 0.00 O ATOM 1371 ND2 ASN A 88 5.345 -1.098 -5.604 1.00 0.00 N ATOM 0 H ASN A 88 2.274 -1.900 -6.794 1.00 0.00 H new ATOM 0 HA ASN A 88 3.825 -3.692 -8.263 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.763 -3.046 -5.288 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.038 -3.969 -6.059 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.823 -0.217 -5.796 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.132 -1.363 -4.642 1.00 0.00 H new ATOM 1378 N CYS A 89 1.849 -5.115 -6.040 1.00 0.00 N ATOM 1379 CA CYS A 89 1.272 -6.390 -5.629 1.00 0.00 C ATOM 1380 C CYS A 89 1.188 -7.354 -6.808 1.00 0.00 C ATOM 1381 O CYS A 89 1.940 -8.326 -6.883 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.120 -6.174 -5.031 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.980 -7.703 -4.594 1.00 0.00 S ATOM 0 H CYS A 89 1.465 -4.303 -5.556 1.00 0.00 H new ATOM 0 HA CYS A 89 1.922 -6.828 -4.871 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.029 -5.554 -4.140 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.728 -5.619 -5.745 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.503 -7.583 -3.410 1.00 0.00 H new ATOM 1389 N TYR A 90 0.268 -7.079 -7.726 1.00 0.00 N ATOM 1390 CA TYR A 90 0.083 -7.924 -8.900 1.00 0.00 C ATOM 1391 C TYR A 90 1.301 -7.857 -9.816 1.00 0.00 C ATOM 1392 O TYR A 90 1.733 -8.869 -10.370 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.171 -7.500 -9.667 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.311 -7.069 -8.773 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -3.085 -8.007 -8.100 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -2.614 -5.724 -8.599 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -4.128 -7.618 -7.282 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -3.655 -5.326 -7.783 1.00 0.00 C ATOM 1399 CZ TYR A 90 -4.409 -6.276 -7.127 1.00 0.00 C ATOM 1400 OH TYR A 90 -5.447 -5.884 -6.312 1.00 0.00 O ATOM 0 H TYR A 90 -0.361 -6.278 -7.680 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.038 -8.953 -8.561 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.916 -6.679 -10.338 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.503 -8.330 -10.291 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.867 -9.058 -8.219 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.025 -4.977 -9.111 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.720 -8.360 -6.767 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.877 -4.276 -7.659 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.575 -4.915 -6.388 1.00 0.00 H new ATOM 1410 N LYS A 91 1.851 -6.658 -9.972 1.00 0.00 N ATOM 1411 CA LYS A 91 3.020 -6.456 -10.819 1.00 0.00 C ATOM 1412 C LYS A 91 3.983 -7.634 -10.707 1.00 0.00 C ATOM 1413 O LYS A 91 4.673 -7.977 -11.668 1.00 0.00 O ATOM 1414 CB LYS A 91 3.737 -5.160 -10.433 1.00 0.00 C ATOM 1415 CG LYS A 91 4.468 -4.502 -11.591 1.00 0.00 C ATOM 1416 CD LYS A 91 5.872 -5.059 -11.754 1.00 0.00 C ATOM 1417 CE LYS A 91 6.700 -4.214 -12.709 1.00 0.00 C ATOM 1418 NZ LYS A 91 6.382 -4.512 -14.133 1.00 0.00 N ATOM 0 H LYS A 91 1.505 -5.810 -9.522 1.00 0.00 H new ATOM 0 HA LYS A 91 2.681 -6.383 -11.852 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.008 -4.458 -10.028 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.451 -5.373 -9.637 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.906 -4.656 -12.512 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.520 -3.426 -11.425 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.364 -5.099 -10.782 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.818 -6.082 -12.126 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.518 -3.158 -12.510 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.760 -4.395 -12.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.968 -3.915 -14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.579 -5.514 -14.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.377 -4.315 -14.313 1.00 0.00 H new ATOM 1432 N TYR A 92 4.023 -8.250 -9.531 1.00 0.00 N ATOM 1433 CA TYR A 92 4.902 -9.389 -9.295 1.00 0.00 C ATOM 1434 C TYR A 92 4.102 -10.685 -9.206 1.00 0.00 C ATOM 1435 O TYR A 92 4.244 -11.574 -10.044 1.00 0.00 O ATOM 1436 CB TYR A 92 5.704 -9.183 -8.009 1.00 0.00 C ATOM 1437 CG TYR A 92 6.623 -10.337 -7.677 1.00 0.00 C ATOM 1438 CD1 TYR A 92 7.667 -10.686 -8.526 1.00 0.00 C ATOM 1439 CD2 TYR A 92 6.448 -11.078 -6.515 1.00 0.00 C ATOM 1440 CE1 TYR A 92 8.509 -11.739 -8.227 1.00 0.00 C ATOM 1441 CE2 TYR A 92 7.286 -12.133 -6.208 1.00 0.00 C ATOM 1442 CZ TYR A 92 8.315 -12.459 -7.067 1.00 0.00 C ATOM 1443 OH TYR A 92 9.151 -13.510 -6.765 1.00 0.00 O ATOM 0 H TYR A 92 3.457 -7.980 -8.726 1.00 0.00 H new ATOM 0 HA TYR A 92 5.590 -9.465 -10.137 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.297 -8.273 -8.102 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.013 -9.030 -7.180 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.822 -10.124 -9.435 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.643 -10.825 -5.840 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.315 -11.997 -8.898 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.136 -12.699 -5.301 1.00 0.00 H new ATOM 0 HH TYR A 92 10.072 -13.184 -6.687 1.00 0.00 H new ATOM 1453 N ASN A 93 3.259 -10.784 -8.182 1.00 0.00 N ATOM 1454 CA ASN A 93 2.435 -11.971 -7.982 1.00 0.00 C ATOM 1455 C ASN A 93 1.828 -12.439 -9.301 1.00 0.00 C ATOM 1456 O ASN A 93 1.345 -11.645 -10.108 1.00 0.00 O ATOM 1457 CB ASN A 93 1.325 -11.681 -6.971 1.00 0.00 C ATOM 1458 CG ASN A 93 1.820 -11.732 -5.538 1.00 0.00 C ATOM 1459 OD1 ASN A 93 2.293 -12.767 -5.069 1.00 0.00 O ATOM 1460 ND2 ASN A 93 1.714 -10.610 -4.836 1.00 0.00 N ATOM 0 H ASN A 93 3.129 -10.057 -7.479 1.00 0.00 H new ATOM 0 HA ASN A 93 3.072 -12.765 -7.594 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.903 -10.696 -7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.521 -12.405 -7.101 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.031 -10.583 -3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.315 -9.775 -5.266 1.00 0.00 H new ATOM 1467 N PRO A 94 1.851 -13.762 -9.526 1.00 0.00 N ATOM 1468 CA PRO A 94 1.306 -14.367 -10.745 1.00 0.00 C ATOM 1469 C PRO A 94 -0.216 -14.285 -10.802 1.00 0.00 C ATOM 1470 O PRO A 94 -0.886 -14.033 -9.800 1.00 0.00 O ATOM 1471 CB PRO A 94 1.759 -15.825 -10.650 1.00 0.00 C ATOM 1472 CG PRO A 94 1.942 -16.071 -9.192 1.00 0.00 C ATOM 1473 CD PRO A 94 2.411 -14.767 -8.608 1.00 0.00 C ATOM 0 HA PRO A 94 1.652 -13.856 -11.644 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.015 -16.499 -11.075 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.687 -15.988 -11.198 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.008 -16.392 -8.730 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.672 -16.862 -9.018 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.047 -14.629 -7.590 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.499 -14.713 -8.568 1.00 0.00 H new ATOM 1481 N PRO A 95 -0.777 -14.502 -12.001 1.00 0.00 N ATOM 1482 CA PRO A 95 -2.226 -14.459 -12.217 1.00 0.00 C ATOM 1483 C PRO A 95 -2.945 -15.631 -11.559 1.00 0.00 C ATOM 1484 O PRO A 95 -4.169 -15.624 -11.422 1.00 0.00 O ATOM 1485 CB PRO A 95 -2.360 -14.536 -13.740 1.00 0.00 C ATOM 1486 CG PRO A 95 -1.121 -15.226 -14.195 1.00 0.00 C ATOM 1487 CD PRO A 95 -0.039 -14.807 -13.238 1.00 0.00 C ATOM 0 HA PRO A 95 -2.677 -13.568 -11.780 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.252 -15.091 -14.031 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.444 -13.543 -14.181 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.252 -16.308 -14.187 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.869 -14.943 -15.217 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.691 -15.601 -13.085 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.507 -13.938 -13.605 1.00 0.00 H new ATOM 1495 N ASP A 96 -2.178 -16.637 -11.153 1.00 0.00 N ATOM 1496 CA ASP A 96 -2.742 -17.817 -10.507 1.00 0.00 C ATOM 1497 C ASP A 96 -2.541 -17.758 -8.996 1.00 0.00 C ATOM 1498 O ASP A 96 -2.611 -18.778 -8.310 1.00 0.00 O ATOM 1499 CB ASP A 96 -2.104 -19.087 -11.070 1.00 0.00 C ATOM 1500 CG ASP A 96 -2.818 -20.345 -10.615 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -4.010 -20.253 -10.255 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -2.184 -21.421 -10.617 1.00 0.00 O ATOM 0 H ASP A 96 -1.164 -16.659 -11.260 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.812 -17.836 -10.712 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -2.112 -19.042 -12.159 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -1.060 -19.133 -10.761 1.00 0.00 H new ATOM 1507 N HIS A 97 -2.290 -16.557 -8.484 1.00 0.00 N ATOM 1508 CA HIS A 97 -2.077 -16.365 -7.054 1.00 0.00 C ATOM 1509 C HIS A 97 -3.371 -15.942 -6.364 1.00 0.00 C ATOM 1510 O HIS A 97 -4.143 -15.151 -6.905 1.00 0.00 O ATOM 1511 CB HIS A 97 -0.992 -15.316 -6.814 1.00 0.00 C ATOM 1512 CG HIS A 97 -0.209 -15.540 -5.557 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -0.625 -15.091 -4.321 1.00 0.00 N ATOM 1514 CD2 HIS A 97 0.970 -16.171 -5.348 1.00 0.00 C ATOM 1515 CE1 HIS A 97 0.264 -15.435 -3.407 1.00 0.00 C ATOM 1516 NE2 HIS A 97 1.242 -16.092 -4.005 1.00 0.00 N ATOM 0 H HIS A 97 -2.229 -15.703 -9.038 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.753 -17.315 -6.630 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.308 -15.312 -7.663 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.454 -14.330 -6.773 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.583 -16.648 -6.099 1.00 0.00 H new ATOM 0 HE1 HIS A 97 0.202 -15.217 -2.351 1.00 0.00 H new ATOM 0 HE2 HIS A 97 2.066 -16.478 -3.543 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.601 -16.476 -5.169 1.00 0.00 N ATOM 1525 CA GLU A 98 -4.802 -16.154 -4.407 1.00 0.00 C ATOM 1526 C GLU A 98 -4.746 -14.723 -3.881 1.00 0.00 C ATOM 1527 O GLU A 98 -5.697 -13.956 -4.033 1.00 0.00 O ATOM 1528 CB GLU A 98 -4.971 -17.131 -3.242 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.155 -16.762 -2.015 1.00 0.00 C ATOM 1530 CD GLU A 98 -4.374 -17.719 -0.859 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -5.543 -17.929 -0.475 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -3.375 -18.258 -0.338 1.00 0.00 O ATOM 0 H GLU A 98 -2.972 -17.133 -4.708 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.659 -16.244 -5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.025 -17.176 -2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.684 -18.130 -3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.097 -16.751 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.416 -15.752 -1.700 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.624 -14.370 -3.261 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.442 -13.032 -2.712 1.00 0.00 C ATOM 1541 C VAL A 99 -3.978 -11.969 -3.666 1.00 0.00 C ATOM 1542 O VAL A 99 -4.486 -10.934 -3.237 1.00 0.00 O ATOM 1543 CB VAL A 99 -1.958 -12.742 -2.420 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -1.253 -12.250 -3.674 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.826 -11.730 -1.291 1.00 0.00 C ATOM 0 H VAL A 99 -2.827 -14.993 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.002 -12.994 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.479 -13.669 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.206 -12.050 -3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.318 -13.012 -4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.730 -11.334 -4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.771 -11.536 -1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.319 -10.801 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.293 -12.127 -0.390 1.00 0.00 H new ATOM 1555 N VAL A 100 -3.860 -12.234 -4.964 1.00 0.00 N ATOM 1556 CA VAL A 100 -4.334 -11.301 -5.979 1.00 0.00 C ATOM 1557 C VAL A 100 -5.813 -10.983 -5.787 1.00 0.00 C ATOM 1558 O VAL A 100 -6.230 -9.831 -5.901 1.00 0.00 O ATOM 1559 CB VAL A 100 -4.121 -11.861 -7.398 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.833 -10.996 -8.427 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.636 -11.964 -7.713 1.00 0.00 C ATOM 0 H VAL A 100 -3.441 -13.086 -5.336 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.752 -10.387 -5.865 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.549 -12.862 -7.442 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.671 -11.408 -9.423 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.901 -10.979 -8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.438 -9.981 -8.385 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.504 -12.361 -8.719 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.181 -10.975 -7.651 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.157 -12.629 -6.995 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.600 -12.013 -5.494 1.00 0.00 N ATOM 1572 CA ALA A 101 -8.033 -11.843 -5.283 1.00 0.00 C ATOM 1573 C ALA A 101 -8.312 -11.124 -3.968 1.00 0.00 C ATOM 1574 O ALA A 101 -9.275 -10.366 -3.857 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.733 -13.194 -5.308 1.00 0.00 C ATOM 0 H ALA A 101 -6.270 -12.973 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.425 -11.228 -6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.802 -13.053 -5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.569 -13.671 -6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.329 -13.828 -4.518 1.00 0.00 H new ATOM 1581 N MET A 102 -7.465 -11.368 -2.974 1.00 0.00 N ATOM 1582 CA MET A 102 -7.621 -10.743 -1.666 1.00 0.00 C ATOM 1583 C MET A 102 -7.305 -9.252 -1.734 1.00 0.00 C ATOM 1584 O MET A 102 -7.967 -8.437 -1.092 1.00 0.00 O ATOM 1585 CB MET A 102 -6.712 -11.422 -0.640 1.00 0.00 C ATOM 1586 CG MET A 102 -7.100 -12.862 -0.344 1.00 0.00 C ATOM 1587 SD MET A 102 -6.677 -13.364 1.335 1.00 0.00 S ATOM 1588 CE MET A 102 -4.944 -12.916 1.396 1.00 0.00 C ATOM 0 H MET A 102 -6.663 -11.994 -3.049 1.00 0.00 H new ATOM 0 HA MET A 102 -8.659 -10.863 -1.356 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.685 -11.399 -1.005 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.734 -10.850 0.288 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.172 -12.984 -0.496 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.600 -13.522 -1.053 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.357 -13.777 1.717 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.615 -12.600 0.406 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.804 -12.098 2.103 1.00 0.00 H new ATOM 1598 N ALA A 103 -6.288 -8.903 -2.516 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.886 -7.510 -2.669 1.00 0.00 C ATOM 1600 C ALA A 103 -7.055 -6.648 -3.133 1.00 0.00 C ATOM 1601 O ALA A 103 -7.353 -5.616 -2.533 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.726 -7.401 -3.649 1.00 0.00 C ATOM 0 H ALA A 103 -5.728 -9.565 -3.053 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.562 -7.142 -1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.436 -6.356 -3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.879 -7.977 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.032 -7.792 -4.619 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.714 -7.079 -4.204 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.849 -6.345 -4.749 1.00 0.00 C ATOM 1610 C ARG A 104 -9.878 -6.051 -3.661 1.00 0.00 C ATOM 1611 O ARG A 104 -10.276 -4.903 -3.462 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.502 -7.140 -5.881 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.639 -7.243 -7.128 1.00 0.00 C ATOM 1614 CD ARG A 104 -9.076 -8.400 -8.014 1.00 0.00 C ATOM 1615 NE ARG A 104 -10.441 -8.229 -8.503 1.00 0.00 N ATOM 1616 CZ ARG A 104 -10.915 -8.836 -9.585 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -10.138 -9.648 -10.288 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -12.169 -8.630 -9.967 1.00 0.00 N ATOM 0 H ARG A 104 -7.481 -7.933 -4.711 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.482 -5.398 -5.144 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.731 -8.144 -5.524 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.450 -6.671 -6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.697 -6.311 -7.690 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.596 -7.377 -6.840 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.395 -8.485 -8.861 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.006 -9.332 -7.454 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.065 -7.610 -7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.173 -9.808 -9.998 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.505 -10.113 -11.119 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.770 -8.005 -9.430 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.532 -9.097 -10.798 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.306 -7.095 -2.960 1.00 0.00 N ATOM 1633 CA LYS A 105 -11.288 -6.950 -1.892 1.00 0.00 C ATOM 1634 C LYS A 105 -11.027 -5.686 -1.080 1.00 0.00 C ATOM 1635 O LYS A 105 -11.959 -5.036 -0.606 1.00 0.00 O ATOM 1636 CB LYS A 105 -11.258 -8.174 -0.974 1.00 0.00 C ATOM 1637 CG LYS A 105 -12.075 -9.345 -1.494 1.00 0.00 C ATOM 1638 CD LYS A 105 -11.985 -10.544 -0.565 1.00 0.00 C ATOM 1639 CE LYS A 105 -12.784 -11.723 -1.098 1.00 0.00 C ATOM 1640 NZ LYS A 105 -12.047 -12.454 -2.166 1.00 0.00 N ATOM 0 H LYS A 105 -9.988 -8.052 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.275 -6.870 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.224 -8.493 -0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.632 -7.889 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.117 -9.044 -1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.721 -9.625 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.941 -10.835 -0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.355 -10.269 0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.012 -12.407 -0.280 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.737 -11.368 -1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.624 -13.250 -2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.852 -11.808 -2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.149 -12.815 -1.784 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.753 -5.342 -0.924 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.368 -4.153 -0.171 1.00 0.00 C ATOM 1656 C LEU A 106 -9.340 -2.923 -1.072 1.00 0.00 C ATOM 1657 O LEU A 106 -9.753 -1.837 -0.667 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.998 -4.358 0.477 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.624 -3.369 1.582 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -8.448 -3.630 2.833 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -6.137 -3.455 1.894 1.00 0.00 C ATOM 0 H LEU A 106 -8.969 -5.869 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.111 -3.990 0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.961 -5.366 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.238 -4.306 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.844 -2.361 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.168 -2.917 3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.507 -3.517 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.260 -4.644 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.889 -2.744 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.892 -4.464 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.563 -3.218 0.998 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.850 -3.102 -2.294 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.770 -2.006 -3.253 1.00 0.00 C ATOM 1675 C GLN A 107 -10.146 -1.399 -3.502 1.00 0.00 C ATOM 1676 O GLN A 107 -10.291 -0.179 -3.585 1.00 0.00 O ATOM 1677 CB GLN A 107 -8.169 -2.497 -4.571 1.00 0.00 C ATOM 1678 CG GLN A 107 -7.494 -1.400 -5.378 1.00 0.00 C ATOM 1679 CD GLN A 107 -6.659 -1.944 -6.520 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -6.055 -3.012 -6.409 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -6.621 -1.212 -7.627 1.00 0.00 N ATOM 0 H GLN A 107 -8.502 -3.995 -2.644 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.124 -1.235 -2.833 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.442 -3.281 -4.359 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.957 -2.948 -5.174 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.254 -0.728 -5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -6.859 -0.808 -4.719 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -7.137 -0.333 -7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.076 -1.528 -8.429 1.00 0.00 H new ATOM 1690 N ASP A 108 -11.153 -2.257 -3.622 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.518 -1.805 -3.861 1.00 0.00 C ATOM 1692 C ASP A 108 -12.998 -0.900 -2.730 1.00 0.00 C ATOM 1693 O ASP A 108 -13.386 0.245 -2.960 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.457 -3.004 -4.005 1.00 0.00 C ATOM 1695 CG ASP A 108 -14.632 -2.713 -4.919 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -14.436 -2.705 -6.152 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -15.747 -2.492 -4.401 1.00 0.00 O ATOM 0 H ASP A 108 -11.049 -3.270 -3.558 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.527 -1.232 -4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.898 -3.854 -4.396 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.828 -3.291 -3.021 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.969 -1.423 -1.509 1.00 0.00 N ATOM 1703 CA VAL A 109 -13.401 -0.663 -0.342 1.00 0.00 C ATOM 1704 C VAL A 109 -12.555 0.592 -0.160 1.00 0.00 C ATOM 1705 O VAL A 109 -13.075 1.664 0.151 1.00 0.00 O ATOM 1706 CB VAL A 109 -13.322 -1.512 0.941 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -11.924 -2.084 1.119 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.727 -0.685 2.152 1.00 0.00 C ATOM 0 H VAL A 109 -12.651 -2.370 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.438 -0.377 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 109 -14.019 -2.345 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.888 -2.681 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -11.677 -2.713 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.204 -1.269 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.666 -1.300 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.056 0.169 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.750 -0.330 2.025 1.00 0.00 H new ATOM 1718 N PHE A 110 -11.248 0.452 -0.356 1.00 0.00 N ATOM 1719 CA PHE A 110 -10.329 1.575 -0.214 1.00 0.00 C ATOM 1720 C PHE A 110 -10.653 2.674 -1.221 1.00 0.00 C ATOM 1721 O PHE A 110 -10.698 3.854 -0.874 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.885 1.106 -0.400 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.952 2.198 -0.841 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -7.384 3.058 0.086 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -7.643 2.364 -2.181 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -6.527 4.064 -0.317 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.785 3.368 -2.590 1.00 0.00 C ATOM 1728 CZ PHE A 110 -6.226 4.219 -1.656 1.00 0.00 C ATOM 0 H PHE A 110 -10.802 -0.428 -0.614 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.445 1.982 0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.523 0.688 0.539 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.864 0.302 -1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.614 2.940 1.135 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -8.077 1.701 -2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -6.093 4.729 0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -6.552 3.487 -3.638 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.555 5.004 -1.972 1.00 0.00 H new ATOM 1738 N GLU A 111 -10.878 2.277 -2.470 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.196 3.229 -3.528 1.00 0.00 C ATOM 1740 C GLU A 111 -12.490 3.976 -3.217 1.00 0.00 C ATOM 1741 O GLU A 111 -12.485 5.190 -3.017 1.00 0.00 O ATOM 1742 CB GLU A 111 -11.321 2.508 -4.872 1.00 0.00 C ATOM 1743 CG GLU A 111 -9.983 2.208 -5.528 1.00 0.00 C ATOM 1744 CD GLU A 111 -10.134 1.651 -6.931 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -11.170 1.929 -7.571 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -9.217 0.937 -7.388 1.00 0.00 O ATOM 0 H GLU A 111 -10.846 1.304 -2.774 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.384 3.953 -3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.862 1.573 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.919 3.119 -5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.388 3.120 -5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.434 1.494 -4.915 1.00 0.00 H new ATOM 1753 N MET A 112 -13.596 3.240 -3.178 1.00 0.00 N ATOM 1754 CA MET A 112 -14.897 3.832 -2.891 1.00 0.00 C ATOM 1755 C MET A 112 -14.810 4.788 -1.705 1.00 0.00 C ATOM 1756 O MET A 112 -15.430 5.851 -1.706 1.00 0.00 O ATOM 1757 CB MET A 112 -15.927 2.738 -2.604 1.00 0.00 C ATOM 1758 CG MET A 112 -15.621 1.928 -1.355 1.00 0.00 C ATOM 1759 SD MET A 112 -17.002 0.884 -0.848 1.00 0.00 S ATOM 1760 CE MET A 112 -17.982 2.052 0.091 1.00 0.00 C ATOM 0 H MET A 112 -13.617 2.233 -3.341 1.00 0.00 H new ATOM 0 HA MET A 112 -15.212 4.397 -3.768 1.00 0.00 H new ATOM 0 HB2 MET A 112 -16.911 3.195 -2.499 1.00 0.00 H new ATOM 0 HB3 MET A 112 -15.978 2.065 -3.460 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.746 1.304 -1.537 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.365 2.606 -0.541 1.00 0.00 H new ATOM 0 HE1 MET A 112 -18.874 1.555 0.472 1.00 0.00 H new ATOM 0 HE2 MET A 112 -17.394 2.432 0.926 1.00 0.00 H new ATOM 0 HE3 MET A 112 -18.276 2.881 -0.553 1.00 0.00 H new ATOM 1770 N ARG A 113 -14.037 4.402 -0.695 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.870 5.224 0.497 1.00 0.00 C ATOM 1772 C ARG A 113 -13.388 6.624 0.129 1.00 0.00 C ATOM 1773 O ARG A 113 -14.085 7.612 0.360 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.878 4.568 1.460 1.00 0.00 C ATOM 1775 CG ARG A 113 -13.508 3.519 2.361 1.00 0.00 C ATOM 1776 CD ARG A 113 -14.401 4.153 3.416 1.00 0.00 C ATOM 1777 NE ARG A 113 -15.187 3.156 4.139 1.00 0.00 N ATOM 1778 CZ ARG A 113 -16.336 3.426 4.747 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -16.833 4.655 4.717 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -16.993 2.466 5.385 1.00 0.00 N ATOM 0 H ARG A 113 -13.517 3.525 -0.679 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.840 5.310 0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -12.076 4.106 0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.421 5.340 2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.093 2.824 1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.725 2.938 2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.787 4.712 4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -15.072 4.868 2.941 1.00 0.00 H new ATOM 0 HE ARG A 113 -14.834 2.200 4.179 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -16.332 5.396 4.226 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -17.716 4.860 5.185 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -16.615 1.519 5.409 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -17.876 2.675 5.852 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.192 6.701 -0.444 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.616 7.980 -0.842 1.00 0.00 C ATOM 1796 C PHE A 114 -12.680 8.890 -1.448 1.00 0.00 C ATOM 1797 O PHE A 114 -12.734 10.083 -1.150 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.483 7.762 -1.847 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.510 8.905 -1.912 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -9.909 10.145 -2.384 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -8.198 8.739 -1.499 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -9.015 11.198 -2.444 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -7.300 9.788 -1.557 1.00 0.00 C ATOM 1804 CZ PHE A 114 -7.710 11.020 -2.030 1.00 0.00 C ATOM 0 H PHE A 114 -11.603 5.893 -0.643 1.00 0.00 H new ATOM 0 HA PHE A 114 -11.214 8.463 0.049 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.945 6.852 -1.583 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.912 7.604 -2.837 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -10.929 10.291 -2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.873 7.778 -1.127 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -9.338 12.160 -2.815 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.280 9.645 -1.233 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.011 11.842 -2.076 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.524 8.319 -2.300 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.588 9.077 -2.947 1.00 0.00 C ATOM 1816 C ALA A 115 -15.672 9.464 -1.947 1.00 0.00 C ATOM 1817 O ALA A 115 -16.068 10.626 -1.864 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.186 8.275 -4.093 1.00 0.00 C ATOM 0 H ALA A 115 -13.492 7.333 -2.559 1.00 0.00 H new ATOM 0 HA ALA A 115 -14.155 9.994 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -15.979 8.853 -4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.410 8.054 -4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.598 7.342 -3.708 1.00 0.00 H new ATOM 1824 N LYS A 116 -16.150 8.482 -1.190 1.00 0.00 N ATOM 1825 CA LYS A 116 -17.189 8.719 -0.195 1.00 0.00 C ATOM 1826 C LYS A 116 -17.026 10.094 0.445 1.00 0.00 C ATOM 1827 O LYS A 116 -17.986 10.856 0.551 1.00 0.00 O ATOM 1828 CB LYS A 116 -17.147 7.634 0.884 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.689 6.293 0.421 1.00 0.00 C ATOM 1830 CD LYS A 116 -19.208 6.291 0.376 1.00 0.00 C ATOM 1831 CE LYS A 116 -19.804 5.978 1.740 1.00 0.00 C ATOM 1832 NZ LYS A 116 -20.020 7.210 2.547 1.00 0.00 N ATOM 0 H LYS A 116 -15.834 7.514 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.155 8.685 -0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -16.117 7.505 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.721 7.970 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.294 6.062 -0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.343 5.508 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.565 7.263 0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.551 5.554 -0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -20.753 5.458 1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.141 5.302 2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -20.880 7.102 3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -19.203 7.363 3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -20.128 8.026 1.912 1.00 0.00 H new ATOM 1846 N MET A 117 -15.805 10.404 0.868 1.00 0.00 N ATOM 1847 CA MET A 117 -15.518 11.689 1.495 1.00 0.00 C ATOM 1848 C MET A 117 -16.353 12.799 0.866 1.00 0.00 C ATOM 1849 O MET A 117 -16.305 13.017 -0.345 1.00 0.00 O ATOM 1850 CB MET A 117 -14.030 12.020 1.368 1.00 0.00 C ATOM 1851 CG MET A 117 -13.580 13.152 2.277 1.00 0.00 C ATOM 1852 SD MET A 117 -11.999 13.860 1.776 1.00 0.00 S ATOM 1853 CE MET A 117 -11.030 12.375 1.520 1.00 0.00 C ATOM 0 H MET A 117 -14.999 9.784 0.788 1.00 0.00 H new ATOM 0 HA MET A 117 -15.779 11.617 2.551 1.00 0.00 H new ATOM 0 HB2 MET A 117 -13.447 11.128 1.596 1.00 0.00 H new ATOM 0 HB3 MET A 117 -13.812 12.287 0.334 1.00 0.00 H new ATOM 0 HG2 MET A 117 -14.339 13.934 2.280 1.00 0.00 H new ATOM 0 HG3 MET A 117 -13.500 12.782 3.299 1.00 0.00 H new ATOM 0 HE1 MET A 117 -10.010 12.542 1.866 1.00 0.00 H new ATOM 0 HE2 MET A 117 -11.473 11.551 2.079 1.00 0.00 H new ATOM 0 HE3 MET A 117 -11.017 12.128 0.459 1.00 0.00 H new