USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 LYS NZ :NH3+ 146:sc= 1.16 (180deg=-1.86!) USER MOD Set 1.2: A 58 TYR OH : rot 151:sc= 1.03 USER MOD Set 2.1: A 20 GLN : amide:sc= 0.00191 K(o=0.027,f=0.83) USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= 0.0255 USER MOD Set 3.1: A 14 HIS : no HD1:sc= 1.44 K(o=-1.3,f=-21!) USER MOD Set 3.2: A 49 SER OG : rot -50:sc= -0.797 USER MOD Set 3.3: A 86 SER OG : rot -160:sc= 0.791 USER MOD Set 3.4: A 91 HIS : no HE2:sc= -2.7! C(o=-1.3!,f=-23!) USER MOD Single : A 9 LYS NZ :NH3+ -147:sc= -0.256 (180deg=-1.39!) USER MOD Single : A 12 CYS SG : rot -160:sc= -2.83 USER MOD Single : A 13 SER OG : rot 180:sc= -0.229 USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= 0.576 (180deg=-0.812!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -3.17! C(o=-3.2!,f=-6.3!) USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= 0.141 (180deg=-0.682) USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0135) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= 1.01! (180deg=0.611) USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 0.168 (180deg=-0.326!) USER MOD Single : A 44 SER OG : rot -151:sc= -6.69! USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= -0.0692 (180deg=-0.553) USER MOD Single : A 55 SER OG : rot 94:sc= 0.725 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -115:sc= -1.78 (180deg=-2.65) USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= -0.0266! (180deg=-0.421) USER MOD Single : A 76 GLN : amide:sc= 0.895 K(o=0.9,f=-0.28) USER MOD Single : A 81 SER OG : rot -82:sc= -2.79! USER MOD Single : A 85 LYS NZ :NH3+ 153:sc= 0.288 (180deg=-1.06!) USER MOD Single : A 94 LYS NZ :NH3+ 140:sc= 0.194 (180deg=-0.748!) USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 9 -13.080 8.337 0.269 1.00 0.00 N ATOM 97 CA LYS A 9 -11.811 7.823 0.727 1.00 0.00 C ATOM 98 C LYS A 9 -11.333 6.751 -0.227 1.00 0.00 C ATOM 99 O LYS A 9 -12.123 6.174 -0.981 1.00 0.00 O ATOM 100 CB LYS A 9 -11.947 7.202 2.120 1.00 0.00 C ATOM 101 CG LYS A 9 -12.567 8.206 3.083 1.00 0.00 C ATOM 102 CD LYS A 9 -11.627 9.376 3.326 1.00 0.00 C ATOM 103 CE LYS A 9 -12.332 10.367 4.239 1.00 0.00 C ATOM 104 NZ LYS A 9 -13.628 10.751 3.616 1.00 0.00 N ATOM 0 HA LYS A 9 -11.101 8.649 0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.566 6.306 2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.968 6.892 2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.511 8.571 2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.796 7.715 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.700 9.031 3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.359 9.852 2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.501 9.923 5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.710 11.249 4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.849 11.738 3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.559 10.653 2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.382 10.131 3.973 1.00 0.00 H new ATOM 118 N ILE A 10 -10.091 6.388 -0.082 1.00 0.00 N ATOM 119 CA ILE A 10 -9.529 5.291 -0.822 1.00 0.00 C ATOM 120 C ILE A 10 -9.326 4.149 0.121 1.00 0.00 C ATOM 121 O ILE A 10 -8.724 4.319 1.178 1.00 0.00 O ATOM 122 CB ILE A 10 -8.174 5.684 -1.457 1.00 0.00 C ATOM 123 CG1 ILE A 10 -8.355 6.885 -2.395 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.609 4.501 -2.262 1.00 0.00 C ATOM 125 CD1 ILE A 10 -9.259 6.490 -3.569 1.00 0.00 C ATOM 0 H ILE A 10 -9.437 6.844 0.554 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.209 5.014 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.482 5.949 -0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.794 7.721 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.386 7.219 -2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.655 4.786 -2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.461 3.648 -1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.310 4.230 -3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.386 7.344 -4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.802 5.667 -4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.232 6.177 -3.190 1.00 0.00 H new ATOM 137 N LYS A 11 -9.812 2.988 -0.249 1.00 0.00 N ATOM 138 CA LYS A 11 -9.575 1.829 0.558 1.00 0.00 C ATOM 139 C LYS A 11 -8.342 1.157 0.039 1.00 0.00 C ATOM 140 O LYS A 11 -8.358 0.600 -1.060 1.00 0.00 O ATOM 141 CB LYS A 11 -10.737 0.849 0.484 1.00 0.00 C ATOM 142 CG LYS A 11 -12.008 1.461 1.057 1.00 0.00 C ATOM 143 CD LYS A 11 -13.120 0.417 0.973 1.00 0.00 C ATOM 144 CE LYS A 11 -12.874 -0.647 2.047 1.00 0.00 C ATOM 145 NZ LYS A 11 -14.108 -1.413 2.312 1.00 0.00 N ATOM 0 H LYS A 11 -10.365 2.828 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.461 2.136 1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.905 0.558 -0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.487 -0.058 1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.850 1.766 2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.284 2.356 0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.092 0.887 1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.135 -0.041 -0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.083 -1.323 1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.530 -0.172 2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.863 -2.398 2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.615 -0.988 3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.717 -1.393 1.469 1.00 0.00 H new ATOM 159 N CYS A 12 -7.252 1.261 0.766 1.00 0.00 N ATOM 160 CA CYS A 12 -6.011 0.682 0.294 1.00 0.00 C ATOM 161 C CYS A 12 -5.232 -0.018 1.389 1.00 0.00 C ATOM 162 O CYS A 12 -5.472 0.181 2.594 1.00 0.00 O ATOM 163 CB CYS A 12 -5.144 1.731 -0.430 1.00 0.00 C ATOM 164 SG CYS A 12 -3.556 1.941 0.419 1.00 0.00 S ATOM 0 H CYS A 12 -7.197 1.731 1.669 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.285 -0.088 -0.427 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.973 1.421 -1.461 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.672 2.684 -0.467 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.033 3.083 0.085 1.00 0.00 H new ATOM 170 N SER A 13 -4.267 -0.789 0.954 1.00 0.00 N ATOM 171 CA SER A 13 -3.357 -1.497 1.816 1.00 0.00 C ATOM 172 C SER A 13 -1.956 -1.280 1.291 1.00 0.00 C ATOM 173 O SER A 13 -1.751 -1.300 0.075 1.00 0.00 O ATOM 174 CB SER A 13 -3.685 -2.995 1.791 1.00 0.00 C ATOM 175 OG SER A 13 -5.100 -3.177 1.870 1.00 0.00 O ATOM 0 H SER A 13 -4.089 -0.945 -0.038 1.00 0.00 H new ATOM 0 HA SER A 13 -3.443 -1.134 2.840 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.301 -3.447 0.876 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.196 -3.499 2.625 1.00 0.00 H new ATOM 0 HG SER A 13 -5.308 -4.134 1.852 1.00 0.00 H new ATOM 181 N HIS A 14 -0.999 -1.055 2.175 1.00 0.00 N ATOM 182 CA HIS A 14 0.362 -0.832 1.727 1.00 0.00 C ATOM 183 C HIS A 14 1.363 -1.646 2.506 1.00 0.00 C ATOM 184 O HIS A 14 1.168 -1.944 3.688 1.00 0.00 O ATOM 185 CB HIS A 14 0.730 0.667 1.730 1.00 0.00 C ATOM 186 CG HIS A 14 1.444 1.058 2.999 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.662 1.717 2.977 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.125 0.903 4.321 1.00 0.00 C ATOM 189 CE1 HIS A 14 3.025 1.932 4.254 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.122 1.455 5.113 1.00 0.00 N ATOM 0 H HIS A 14 -1.135 -1.022 3.185 1.00 0.00 H new ATOM 0 HA HIS A 14 0.407 -1.178 0.694 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.364 0.889 0.871 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.175 1.265 1.621 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.231 0.423 4.692 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.937 2.430 4.549 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.157 1.489 6.132 1.00 0.00 H new ATOM 198 N ILE A 15 2.435 -1.980 1.837 1.00 0.00 N ATOM 199 CA ILE A 15 3.532 -2.714 2.409 1.00 0.00 C ATOM 200 C ILE A 15 4.809 -1.924 2.192 1.00 0.00 C ATOM 201 O ILE A 15 5.099 -1.505 1.067 1.00 0.00 O ATOM 202 CB ILE A 15 3.608 -4.107 1.751 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.334 -4.886 2.097 1.00 0.00 C ATOM 204 CG2 ILE A 15 4.823 -4.888 2.262 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.232 -6.145 1.234 1.00 0.00 C ATOM 0 H ILE A 15 2.572 -1.743 0.854 1.00 0.00 H new ATOM 0 HA ILE A 15 3.390 -2.856 3.480 1.00 0.00 H new ATOM 0 HB ILE A 15 3.704 -3.981 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.342 -5.160 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.459 -4.256 1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.854 -5.867 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.734 -4.339 2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.746 -5.015 3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.323 -6.689 1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.202 -5.863 0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.098 -6.781 1.415 1.00 0.00 H new ATOM 217 N LEU A 16 5.544 -1.687 3.263 1.00 0.00 N ATOM 218 CA LEU A 16 6.780 -0.928 3.186 1.00 0.00 C ATOM 219 C LEU A 16 7.933 -1.895 3.145 1.00 0.00 C ATOM 220 O LEU A 16 8.044 -2.767 4.016 1.00 0.00 O ATOM 221 CB LEU A 16 6.907 0.002 4.411 1.00 0.00 C ATOM 222 CG LEU A 16 8.166 0.893 4.300 1.00 0.00 C ATOM 223 CD1 LEU A 16 8.061 1.823 3.088 1.00 0.00 C ATOM 224 CD2 LEU A 16 8.301 1.749 5.565 1.00 0.00 C ATOM 0 H LEU A 16 5.306 -2.010 4.201 1.00 0.00 H new ATOM 0 HA LEU A 16 6.783 -0.311 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.019 0.629 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.958 -0.595 5.322 1.00 0.00 H new ATOM 0 HG LEU A 16 9.037 0.247 4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.956 2.442 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.968 1.228 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.184 2.462 3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.189 2.377 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.419 2.380 5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.392 1.100 6.436 1.00 0.00 H new ATOM 236 N VAL A 17 8.765 -1.768 2.131 1.00 0.00 N ATOM 237 CA VAL A 17 9.872 -2.673 1.940 1.00 0.00 C ATOM 238 C VAL A 17 11.193 -1.945 2.009 1.00 0.00 C ATOM 239 O VAL A 17 11.293 -0.758 1.674 1.00 0.00 O ATOM 240 CB VAL A 17 9.747 -3.403 0.596 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.453 -4.217 0.557 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.749 -2.402 -0.561 1.00 0.00 C ATOM 0 H VAL A 17 8.691 -1.038 1.422 1.00 0.00 H new ATOM 0 HA VAL A 17 9.842 -3.406 2.747 1.00 0.00 H new ATOM 0 HB VAL A 17 10.601 -4.072 0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.375 -4.731 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.461 -4.951 1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.600 -3.550 0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.660 -2.938 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.908 -1.717 -0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.681 -1.837 -0.551 1.00 0.00 H new ATOM 252 N LYS A 18 12.205 -2.672 2.420 1.00 0.00 N ATOM 253 CA LYS A 18 13.541 -2.147 2.510 1.00 0.00 C ATOM 254 C LYS A 18 14.074 -1.833 1.127 1.00 0.00 C ATOM 255 O LYS A 18 14.902 -0.936 0.966 1.00 0.00 O ATOM 256 CB LYS A 18 14.462 -3.175 3.167 1.00 0.00 C ATOM 257 CG LYS A 18 14.017 -3.442 4.603 1.00 0.00 C ATOM 258 CD LYS A 18 14.950 -4.484 5.240 1.00 0.00 C ATOM 259 CE LYS A 18 14.125 -5.640 5.811 1.00 0.00 C ATOM 260 NZ LYS A 18 13.422 -6.346 4.707 1.00 0.00 N ATOM 0 H LYS A 18 12.121 -3.649 2.702 1.00 0.00 H new ATOM 0 HA LYS A 18 13.513 -1.236 3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.448 -4.103 2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.489 -2.811 3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.038 -2.517 5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.988 -3.802 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.652 -4.860 4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.540 -4.021 6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.774 -6.334 6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.401 -5.261 6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.149 -7.299 5.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.570 -5.812 4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.055 -6.422 3.885 1.00 0.00 H new ATOM 274 N LYS A 19 13.776 -2.728 0.189 1.00 0.00 N ATOM 275 CA LYS A 19 14.399 -2.700 -1.131 1.00 0.00 C ATOM 276 C LYS A 19 13.377 -2.870 -2.243 1.00 0.00 C ATOM 277 O LYS A 19 12.319 -3.483 -2.048 1.00 0.00 O ATOM 278 CB LYS A 19 15.434 -3.819 -1.223 1.00 0.00 C ATOM 279 CG LYS A 19 16.567 -3.537 -0.234 1.00 0.00 C ATOM 280 CD LYS A 19 17.598 -4.663 -0.294 1.00 0.00 C ATOM 281 CE LYS A 19 18.725 -4.364 0.696 1.00 0.00 C ATOM 282 NZ LYS A 19 19.721 -5.459 0.666 1.00 0.00 N ATOM 0 H LYS A 19 13.104 -3.484 0.320 1.00 0.00 H new ATOM 0 HA LYS A 19 14.874 -1.727 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.970 -4.780 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.828 -3.884 -2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.041 -2.585 -0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.167 -3.451 0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.128 -5.616 -0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 19 17.999 -4.752 -1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.203 -3.418 0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.319 -4.256 1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 20.485 -5.252 1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.261 -6.354 0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.118 -5.541 -0.292 1.00 0.00 H new ATOM 296 N GLN A 20 13.745 -2.436 -3.437 1.00 0.00 N ATOM 297 CA GLN A 20 12.895 -2.629 -4.598 1.00 0.00 C ATOM 298 C GLN A 20 12.670 -4.111 -4.819 1.00 0.00 C ATOM 299 O GLN A 20 11.566 -4.541 -5.124 1.00 0.00 O ATOM 300 CB GLN A 20 13.537 -2.036 -5.851 1.00 0.00 C ATOM 301 CG GLN A 20 13.596 -0.514 -5.757 1.00 0.00 C ATOM 302 CD GLN A 20 14.244 0.035 -7.020 1.00 0.00 C ATOM 303 OE1 GLN A 20 15.175 -0.572 -7.557 1.00 0.00 O ATOM 304 NE2 GLN A 20 13.808 1.135 -7.539 1.00 0.00 N ATOM 0 H GLN A 20 14.622 -1.950 -3.627 1.00 0.00 H new ATOM 0 HA GLN A 20 11.947 -2.124 -4.414 1.00 0.00 H new ATOM 0 HB2 GLN A 20 14.543 -2.437 -5.975 1.00 0.00 H new ATOM 0 HB3 GLN A 20 12.966 -2.329 -6.732 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.593 -0.105 -5.640 1.00 0.00 H new ATOM 0 HG3 GLN A 20 14.167 -0.213 -4.879 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.039 1.638 -7.097 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.233 1.500 -8.391 1.00 0.00 H new ATOM 313 N GLY A 21 13.717 -4.887 -4.621 1.00 0.00 N ATOM 314 CA GLY A 21 13.643 -6.326 -4.783 1.00 0.00 C ATOM 315 C GLY A 21 12.586 -6.898 -3.874 1.00 0.00 C ATOM 316 O GLY A 21 11.779 -7.733 -4.290 1.00 0.00 O ATOM 0 H GLY A 21 14.636 -4.542 -4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.413 -6.571 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.610 -6.775 -4.556 1.00 0.00 H new ATOM 320 N GLU A 22 12.509 -6.369 -2.661 1.00 0.00 N ATOM 321 CA GLU A 22 11.474 -6.787 -1.743 1.00 0.00 C ATOM 322 C GLU A 22 10.107 -6.386 -2.287 1.00 0.00 C ATOM 323 O GLU A 22 9.170 -7.190 -2.294 1.00 0.00 O ATOM 324 CB GLU A 22 11.679 -6.148 -0.368 1.00 0.00 C ATOM 325 CG GLU A 22 12.924 -6.722 0.334 1.00 0.00 C ATOM 326 CD GLU A 22 13.134 -6.038 1.687 1.00 0.00 C ATOM 327 OE1 GLU A 22 12.344 -5.189 2.043 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.088 -6.378 2.357 1.00 0.00 O ATOM 0 H GLU A 22 13.145 -5.659 -2.298 1.00 0.00 H new ATOM 0 HA GLU A 22 11.526 -7.871 -1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.786 -5.069 -0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.798 -6.320 0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.807 -7.796 0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.803 -6.578 -0.294 1.00 0.00 H new ATOM 335 N ALA A 23 10.015 -5.157 -2.802 1.00 0.00 N ATOM 336 CA ALA A 23 8.763 -4.685 -3.391 1.00 0.00 C ATOM 337 C ALA A 23 8.355 -5.587 -4.545 1.00 0.00 C ATOM 338 O ALA A 23 7.213 -6.043 -4.624 1.00 0.00 O ATOM 339 CB ALA A 23 8.892 -3.235 -3.889 1.00 0.00 C ATOM 0 H ALA A 23 10.779 -4.482 -2.823 1.00 0.00 H new ATOM 0 HA ALA A 23 7.997 -4.715 -2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.945 -2.913 -4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.149 -2.585 -3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.674 -3.179 -4.646 1.00 0.00 H new ATOM 345 N LEU A 24 9.297 -5.859 -5.423 1.00 0.00 N ATOM 346 CA LEU A 24 9.033 -6.710 -6.567 1.00 0.00 C ATOM 347 C LEU A 24 8.654 -8.106 -6.106 1.00 0.00 C ATOM 348 O LEU A 24 7.705 -8.707 -6.630 1.00 0.00 O ATOM 349 CB LEU A 24 10.264 -6.780 -7.483 1.00 0.00 C ATOM 350 CG LEU A 24 10.348 -5.550 -8.422 1.00 0.00 C ATOM 351 CD1 LEU A 24 9.628 -5.840 -9.737 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.738 -4.302 -7.770 1.00 0.00 C ATOM 0 H LEU A 24 10.252 -5.504 -5.368 1.00 0.00 H new ATOM 0 HA LEU A 24 8.203 -6.282 -7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.167 -6.837 -6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.223 -7.691 -8.079 1.00 0.00 H new ATOM 0 HG LEU A 24 11.403 -5.355 -8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.694 -4.968 -10.388 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.095 -6.695 -10.227 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.580 -6.064 -9.536 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.814 -3.459 -8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.689 -4.488 -7.539 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.277 -4.071 -6.851 1.00 0.00 H new ATOM 364 N ALA A 25 9.380 -8.610 -5.115 1.00 0.00 N ATOM 365 CA ALA A 25 9.125 -9.942 -4.580 1.00 0.00 C ATOM 366 C ALA A 25 7.710 -10.045 -4.048 1.00 0.00 C ATOM 367 O ALA A 25 6.989 -10.989 -4.377 1.00 0.00 O ATOM 368 CB ALA A 25 10.118 -10.273 -3.461 1.00 0.00 C ATOM 0 H ALA A 25 10.151 -8.116 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 25 9.251 -10.658 -5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.911 -11.271 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.134 -10.239 -3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.016 -9.544 -2.657 1.00 0.00 H new ATOM 374 N VAL A 26 7.300 -9.072 -3.233 1.00 0.00 N ATOM 375 CA VAL A 26 5.954 -9.096 -2.678 1.00 0.00 C ATOM 376 C VAL A 26 4.912 -8.986 -3.783 1.00 0.00 C ATOM 377 O VAL A 26 3.932 -9.725 -3.795 1.00 0.00 O ATOM 378 CB VAL A 26 5.747 -8.012 -1.597 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.843 -8.119 -0.530 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.779 -6.609 -2.212 1.00 0.00 C ATOM 0 H VAL A 26 7.870 -8.275 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 26 5.825 -10.058 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 26 4.770 -8.174 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.689 -7.351 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.801 -9.103 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.819 -7.979 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.631 -5.865 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.744 -6.444 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.985 -6.519 -2.953 1.00 0.00 H new ATOM 390 N GLN A 27 5.167 -8.122 -4.756 1.00 0.00 N ATOM 391 CA GLN A 27 4.244 -7.966 -5.873 1.00 0.00 C ATOM 392 C GLN A 27 4.023 -9.300 -6.535 1.00 0.00 C ATOM 393 O GLN A 27 2.895 -9.651 -6.879 1.00 0.00 O ATOM 394 CB GLN A 27 4.828 -7.012 -6.900 1.00 0.00 C ATOM 395 CG GLN A 27 4.833 -5.586 -6.367 1.00 0.00 C ATOM 396 CD GLN A 27 5.620 -4.701 -7.313 1.00 0.00 C ATOM 397 OE1 GLN A 27 6.453 -5.196 -8.087 1.00 0.00 O ATOM 398 NE2 GLN A 27 5.421 -3.429 -7.315 1.00 0.00 N ATOM 0 H GLN A 27 5.993 -7.526 -4.796 1.00 0.00 H new ATOM 0 HA GLN A 27 3.301 -7.571 -5.495 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.845 -7.316 -7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.246 -7.060 -7.820 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.812 -5.218 -6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.276 -5.559 -5.372 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.737 -3.019 -6.680 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.948 -2.831 -7.952 1.00 0.00 H new ATOM 407 N GLU A 28 5.104 -10.033 -6.734 1.00 0.00 N ATOM 408 CA GLU A 28 5.028 -11.362 -7.325 1.00 0.00 C ATOM 409 C GLU A 28 4.379 -12.338 -6.353 1.00 0.00 C ATOM 410 O GLU A 28 3.552 -13.168 -6.735 1.00 0.00 O ATOM 411 CB GLU A 28 6.421 -11.862 -7.706 1.00 0.00 C ATOM 412 CG GLU A 28 6.966 -11.028 -8.868 1.00 0.00 C ATOM 413 CD GLU A 28 8.363 -11.481 -9.222 1.00 0.00 C ATOM 414 OE1 GLU A 28 9.158 -11.641 -8.333 1.00 0.00 O ATOM 415 OE2 GLU A 28 8.619 -11.681 -10.383 1.00 0.00 O ATOM 0 H GLU A 28 6.049 -9.731 -6.495 1.00 0.00 H new ATOM 0 HA GLU A 28 4.418 -11.299 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.091 -11.791 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.376 -12.914 -7.990 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.313 -11.127 -9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.976 -9.973 -8.595 1.00 0.00 H new ATOM 422 N ARG A 29 4.756 -12.224 -5.098 1.00 0.00 N ATOM 423 CA ARG A 29 4.248 -13.096 -4.057 1.00 0.00 C ATOM 424 C ARG A 29 2.736 -12.950 -3.913 1.00 0.00 C ATOM 425 O ARG A 29 2.018 -13.938 -3.773 1.00 0.00 O ATOM 426 CB ARG A 29 4.980 -12.860 -2.730 1.00 0.00 C ATOM 427 CG ARG A 29 4.487 -13.870 -1.692 1.00 0.00 C ATOM 428 CD ARG A 29 5.312 -13.755 -0.406 1.00 0.00 C ATOM 429 NE ARG A 29 4.806 -14.699 0.568 1.00 0.00 N ATOM 430 CZ ARG A 29 5.123 -14.652 1.853 1.00 0.00 C ATOM 431 NH1 ARG A 29 5.982 -13.778 2.295 1.00 0.00 N ATOM 432 NH2 ARG A 29 4.592 -15.499 2.666 1.00 0.00 N ATOM 0 H ARG A 29 5.423 -11.526 -4.769 1.00 0.00 H new ATOM 0 HA ARG A 29 4.446 -14.127 -4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.056 -12.963 -2.872 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.801 -11.844 -2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.434 -13.693 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.564 -14.881 -2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.363 -13.957 -0.614 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.254 -12.740 -0.012 1.00 0.00 H new ATOM 0 HE ARG A 29 4.176 -15.435 0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.418 -13.120 1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.218 -13.752 3.287 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.935 -16.197 2.318 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.829 -15.472 3.658 1.00 0.00 H new ATOM 446 N LEU A 30 2.245 -11.729 -4.042 1.00 0.00 N ATOM 447 CA LEU A 30 0.809 -11.497 -4.005 1.00 0.00 C ATOM 448 C LEU A 30 0.140 -12.272 -5.122 1.00 0.00 C ATOM 449 O LEU A 30 -0.925 -12.868 -4.923 1.00 0.00 O ATOM 450 CB LEU A 30 0.468 -9.995 -4.107 1.00 0.00 C ATOM 451 CG LEU A 30 0.393 -9.351 -2.707 1.00 0.00 C ATOM 452 CD1 LEU A 30 -0.633 -10.093 -1.841 1.00 0.00 C ATOM 453 CD2 LEU A 30 1.759 -9.383 -2.023 1.00 0.00 C ATOM 0 H LEU A 30 2.811 -10.891 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 30 0.433 -11.847 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.224 -9.486 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.485 -9.868 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 30 0.085 -8.312 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.679 -9.631 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.614 -10.039 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.336 -11.137 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.683 -8.924 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.089 -10.416 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.481 -8.831 -2.626 1.00 0.00 H new ATOM 465 N LYS A 31 0.797 -12.336 -6.269 1.00 0.00 N ATOM 466 CA LYS A 31 0.278 -13.117 -7.384 1.00 0.00 C ATOM 467 C LYS A 31 0.215 -14.589 -6.979 1.00 0.00 C ATOM 468 O LYS A 31 -0.638 -15.343 -7.453 1.00 0.00 O ATOM 469 CB LYS A 31 1.158 -12.997 -8.631 1.00 0.00 C ATOM 470 CG LYS A 31 1.658 -11.561 -8.835 1.00 0.00 C ATOM 471 CD LYS A 31 0.498 -10.556 -8.873 1.00 0.00 C ATOM 472 CE LYS A 31 0.969 -9.275 -9.580 1.00 0.00 C ATOM 473 NZ LYS A 31 2.385 -9.002 -9.220 1.00 0.00 N ATOM 0 H LYS A 31 1.682 -11.863 -6.453 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.712 -12.729 -7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.011 -13.670 -8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.593 -13.314 -9.507 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.343 -11.296 -8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.222 -11.501 -9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.355 -10.985 -9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.165 -10.327 -7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.872 -9.386 -10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.340 -8.434 -9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.603 -8.001 -9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.533 -9.211 -8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.011 -9.602 -9.794 1.00 0.00 H new ATOM 487 N ALA A 32 1.135 -15.000 -6.100 1.00 0.00 N ATOM 488 CA ALA A 32 1.185 -16.379 -5.634 1.00 0.00 C ATOM 489 C ALA A 32 -0.131 -16.753 -4.995 1.00 0.00 C ATOM 490 O ALA A 32 -0.509 -17.929 -4.958 1.00 0.00 O ATOM 491 CB ALA A 32 2.330 -16.581 -4.636 1.00 0.00 C ATOM 0 H ALA A 32 1.852 -14.394 -5.701 1.00 0.00 H new ATOM 0 HA ALA A 32 1.366 -17.025 -6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.344 -17.619 -4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.278 -16.340 -5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.183 -15.927 -3.776 1.00 0.00 H new ATOM 497 N GLY A 33 -0.847 -15.741 -4.528 1.00 0.00 N ATOM 498 CA GLY A 33 -2.156 -15.942 -3.934 1.00 0.00 C ATOM 499 C GLY A 33 -2.121 -15.812 -2.424 1.00 0.00 C ATOM 500 O GLY A 33 -3.094 -16.163 -1.748 1.00 0.00 O ATOM 0 H GLY A 33 -0.540 -14.769 -4.550 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.856 -15.214 -4.344 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.529 -16.930 -4.204 1.00 0.00 H new ATOM 504 N GLU A 34 -1.022 -15.284 -1.884 1.00 0.00 N ATOM 505 CA GLU A 34 -0.920 -15.086 -0.446 1.00 0.00 C ATOM 506 C GLU A 34 -1.643 -13.813 -0.025 1.00 0.00 C ATOM 507 O GLU A 34 -1.769 -12.872 -0.812 1.00 0.00 O ATOM 508 CB GLU A 34 0.538 -15.050 0.018 1.00 0.00 C ATOM 509 CG GLU A 34 1.189 -16.406 -0.264 1.00 0.00 C ATOM 510 CD GLU A 34 2.486 -16.535 0.507 1.00 0.00 C ATOM 511 OE1 GLU A 34 2.444 -16.496 1.729 1.00 0.00 O ATOM 512 OE2 GLU A 34 3.511 -16.674 -0.119 1.00 0.00 O ATOM 0 H GLU A 34 -0.203 -14.991 -2.416 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.400 -15.938 0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.078 -14.259 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.588 -14.824 1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.509 -17.210 0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.381 -16.510 -1.332 1.00 0.00 H new ATOM 519 N LYS A 35 -2.156 -13.807 1.195 1.00 0.00 N ATOM 520 CA LYS A 35 -2.915 -12.673 1.697 1.00 0.00 C ATOM 521 C LYS A 35 -2.012 -11.458 1.826 1.00 0.00 C ATOM 522 O LYS A 35 -0.877 -11.561 2.297 1.00 0.00 O ATOM 523 CB LYS A 35 -3.553 -13.016 3.053 1.00 0.00 C ATOM 524 CG LYS A 35 -4.619 -11.973 3.443 1.00 0.00 C ATOM 525 CD LYS A 35 -5.329 -12.445 4.726 1.00 0.00 C ATOM 526 CE LYS A 35 -6.463 -11.481 5.105 1.00 0.00 C ATOM 527 NZ LYS A 35 -5.908 -10.200 5.614 1.00 0.00 N ATOM 0 H LYS A 35 -2.060 -14.577 1.857 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.712 -12.442 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.008 -14.005 3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.781 -13.057 3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.154 -11.001 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.341 -11.851 2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.731 -13.447 4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.610 -12.508 5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.093 -11.292 4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.097 -11.937 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.686 -9.586 5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.272 -10.391 6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.378 -9.726 4.855 1.00 0.00 H new ATOM 541 N PHE A 36 -2.522 -10.318 1.412 1.00 0.00 N ATOM 542 CA PHE A 36 -1.757 -9.081 1.433 1.00 0.00 C ATOM 543 C PHE A 36 -1.272 -8.816 2.856 1.00 0.00 C ATOM 544 O PHE A 36 -0.106 -8.513 3.082 1.00 0.00 O ATOM 545 CB PHE A 36 -2.654 -7.927 0.951 1.00 0.00 C ATOM 546 CG PHE A 36 -1.848 -6.659 0.775 1.00 0.00 C ATOM 547 CD1 PHE A 36 -1.174 -6.426 -0.433 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.784 -5.715 1.803 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.442 -5.249 -0.611 1.00 0.00 C ATOM 550 CE2 PHE A 36 -1.044 -4.538 1.624 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.375 -4.306 0.415 1.00 0.00 C ATOM 0 H PHE A 36 -3.471 -10.218 1.053 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.893 -9.161 0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.126 -8.197 0.007 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.455 -7.758 1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.221 -7.157 -1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.303 -5.892 2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.072 -5.069 -1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.989 -3.809 2.419 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.192 -3.397 0.277 1.00 0.00 H new ATOM 561 N GLY A 37 -2.164 -8.985 3.810 1.00 0.00 N ATOM 562 CA GLY A 37 -1.839 -8.804 5.213 1.00 0.00 C ATOM 563 C GLY A 37 -0.789 -9.791 5.676 1.00 0.00 C ATOM 564 O GLY A 37 0.124 -9.438 6.424 1.00 0.00 O ATOM 0 H GLY A 37 -3.133 -9.251 3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.480 -7.788 5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.741 -8.923 5.814 1.00 0.00 H new ATOM 568 N LYS A 38 -0.879 -11.007 5.169 1.00 0.00 N ATOM 569 CA LYS A 38 0.091 -12.033 5.494 1.00 0.00 C ATOM 570 C LYS A 38 1.463 -11.530 5.089 1.00 0.00 C ATOM 571 O LYS A 38 2.387 -11.466 5.906 1.00 0.00 O ATOM 572 CB LYS A 38 -0.272 -13.321 4.722 1.00 0.00 C ATOM 573 CG LYS A 38 0.650 -14.482 5.100 1.00 0.00 C ATOM 574 CD LYS A 38 0.169 -15.748 4.371 1.00 0.00 C ATOM 575 CE LYS A 38 1.055 -16.940 4.743 1.00 0.00 C ATOM 576 NZ LYS A 38 2.408 -16.742 4.177 1.00 0.00 N ATOM 0 H LYS A 38 -1.615 -11.307 4.530 1.00 0.00 H new ATOM 0 HA LYS A 38 0.091 -12.255 6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.306 -13.593 4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.204 -13.135 3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.679 -14.254 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.638 -14.639 6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.867 -15.958 4.637 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.195 -15.588 3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.113 -17.040 5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.620 -17.864 4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.942 -17.633 4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.329 -16.449 3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.905 -16.005 4.716 1.00 0.00 H new ATOM 590 N LEU A 39 1.527 -10.995 3.885 1.00 0.00 N ATOM 591 CA LEU A 39 2.728 -10.355 3.394 1.00 0.00 C ATOM 592 C LEU A 39 3.055 -9.162 4.261 1.00 0.00 C ATOM 593 O LEU A 39 4.226 -8.883 4.533 1.00 0.00 O ATOM 594 CB LEU A 39 2.521 -9.859 1.958 1.00 0.00 C ATOM 595 CG LEU A 39 2.642 -10.999 0.922 1.00 0.00 C ATOM 596 CD1 LEU A 39 3.885 -10.779 0.076 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.710 -12.386 1.588 1.00 0.00 C ATOM 0 H LEU A 39 0.751 -10.992 3.224 1.00 0.00 H new ATOM 0 HA LEU A 39 3.540 -11.082 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.537 -9.397 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.256 -9.087 1.733 1.00 0.00 H new ATOM 0 HG LEU A 39 1.748 -10.978 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.974 -11.582 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.808 -9.823 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.766 -10.775 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.794 -13.155 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.579 -12.432 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.805 -12.554 2.172 1.00 0.00 H new ATOM 609 N ALA A 40 2.024 -8.412 4.637 1.00 0.00 N ATOM 610 CA ALA A 40 2.230 -7.207 5.396 1.00 0.00 C ATOM 611 C ALA A 40 2.951 -7.517 6.687 1.00 0.00 C ATOM 612 O ALA A 40 3.984 -6.907 6.995 1.00 0.00 O ATOM 613 CB ALA A 40 0.907 -6.503 5.681 1.00 0.00 C ATOM 0 H ALA A 40 1.049 -8.624 4.425 1.00 0.00 H new ATOM 0 HA ALA A 40 2.847 -6.534 4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.094 -5.596 6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.423 -6.243 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.257 -7.167 6.252 1.00 0.00 H new ATOM 619 N LYS A 41 2.451 -8.507 7.408 1.00 0.00 N ATOM 620 CA LYS A 41 3.095 -8.944 8.629 1.00 0.00 C ATOM 621 C LYS A 41 4.472 -9.530 8.331 1.00 0.00 C ATOM 622 O LYS A 41 5.403 -9.384 9.121 1.00 0.00 O ATOM 623 CB LYS A 41 2.250 -10.000 9.353 1.00 0.00 C ATOM 624 CG LYS A 41 0.939 -9.395 9.883 1.00 0.00 C ATOM 625 CD LYS A 41 0.182 -10.481 10.663 1.00 0.00 C ATOM 626 CE LYS A 41 -1.118 -9.917 11.258 1.00 0.00 C ATOM 627 NZ LYS A 41 -2.221 -10.101 10.293 1.00 0.00 N ATOM 0 H LYS A 41 1.603 -9.020 7.167 1.00 0.00 H new ATOM 0 HA LYS A 41 3.201 -8.070 9.272 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.026 -10.820 8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.820 -10.421 10.181 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.149 -8.542 10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.330 -9.028 9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.047 -11.317 10.002 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.814 -10.870 11.461 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.352 -10.423 12.195 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.996 -8.859 11.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.077 -9.630 10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.954 -9.686 9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.410 -11.116 10.171 1.00 0.00 H new ATOM 641 N GLU A 42 4.557 -10.307 7.258 1.00 0.00 N ATOM 642 CA GLU A 42 5.780 -11.040 6.947 1.00 0.00 C ATOM 643 C GLU A 42 6.939 -10.154 6.469 1.00 0.00 C ATOM 644 O GLU A 42 8.107 -10.445 6.766 1.00 0.00 O ATOM 645 CB GLU A 42 5.505 -12.131 5.893 1.00 0.00 C ATOM 646 CG GLU A 42 4.687 -13.286 6.494 1.00 0.00 C ATOM 647 CD GLU A 42 4.604 -14.432 5.506 1.00 0.00 C ATOM 648 OE1 GLU A 42 5.511 -14.573 4.723 1.00 0.00 O ATOM 649 OE2 GLU A 42 3.637 -15.151 5.533 1.00 0.00 O ATOM 0 H GLU A 42 3.798 -10.446 6.591 1.00 0.00 H new ATOM 0 HA GLU A 42 6.095 -11.488 7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.966 -11.699 5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.449 -12.513 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.150 -13.627 7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.685 -12.940 6.747 1.00 0.00 H new ATOM 656 N LEU A 43 6.648 -9.214 5.584 1.00 0.00 N ATOM 657 CA LEU A 43 7.709 -8.483 4.899 1.00 0.00 C ATOM 658 C LEU A 43 7.779 -6.996 5.274 1.00 0.00 C ATOM 659 O LEU A 43 8.864 -6.418 5.341 1.00 0.00 O ATOM 660 CB LEU A 43 7.582 -8.734 3.370 1.00 0.00 C ATOM 661 CG LEU A 43 8.364 -7.719 2.526 1.00 0.00 C ATOM 662 CD1 LEU A 43 7.644 -6.380 2.537 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.811 -7.564 3.034 1.00 0.00 C ATOM 0 H LEU A 43 5.701 -8.940 5.324 1.00 0.00 H new ATOM 0 HA LEU A 43 8.670 -8.869 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.939 -9.738 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.530 -8.698 3.088 1.00 0.00 H new ATOM 0 HG LEU A 43 8.415 -8.088 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.202 -5.662 1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.644 -6.501 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.569 -6.016 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.338 -6.838 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.799 -7.218 4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.321 -8.526 2.979 1.00 0.00 H new ATOM 675 N SER A 44 6.642 -6.362 5.454 1.00 0.00 N ATOM 676 CA SER A 44 6.630 -4.916 5.670 1.00 0.00 C ATOM 677 C SER A 44 7.523 -4.511 6.832 1.00 0.00 C ATOM 678 O SER A 44 7.493 -5.145 7.889 1.00 0.00 O ATOM 679 CB SER A 44 5.214 -4.438 5.954 1.00 0.00 C ATOM 680 OG SER A 44 4.320 -5.162 5.149 1.00 0.00 O ATOM 0 H SER A 44 5.724 -6.807 5.457 1.00 0.00 H new ATOM 0 HA SER A 44 7.010 -4.453 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.972 -4.580 7.007 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.128 -3.371 5.748 1.00 0.00 H new ATOM 0 HG SER A 44 3.532 -4.612 4.959 1.00 0.00 H new ATOM 686 N ILE A 45 8.191 -3.371 6.686 1.00 0.00 N ATOM 687 CA ILE A 45 8.948 -2.773 7.785 1.00 0.00 C ATOM 688 C ILE A 45 8.087 -1.719 8.482 1.00 0.00 C ATOM 689 O ILE A 45 8.540 -0.987 9.366 1.00 0.00 O ATOM 690 CB ILE A 45 10.284 -2.182 7.288 1.00 0.00 C ATOM 691 CG1 ILE A 45 10.027 -1.121 6.214 1.00 0.00 C ATOM 692 CG2 ILE A 45 11.170 -3.287 6.710 1.00 0.00 C ATOM 693 CD1 ILE A 45 11.346 -0.444 5.829 1.00 0.00 C ATOM 0 H ILE A 45 8.225 -2.840 5.816 1.00 0.00 H new ATOM 0 HA ILE A 45 9.200 -3.549 8.508 1.00 0.00 H new ATOM 0 HB ILE A 45 10.792 -1.721 8.135 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.574 -1.581 5.336 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.321 -0.378 6.585 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.109 -2.856 6.363 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.374 -4.030 7.481 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.659 -3.763 5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.158 0.310 5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.781 0.031 6.708 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.038 -1.191 5.440 1.00 0.00 H new ATOM 705 N ASP A 46 6.832 -1.658 8.063 1.00 0.00 N ATOM 706 CA ASP A 46 5.856 -0.748 8.639 1.00 0.00 C ATOM 707 C ASP A 46 5.117 -1.429 9.769 1.00 0.00 C ATOM 708 O ASP A 46 4.412 -2.412 9.547 1.00 0.00 O ATOM 709 CB ASP A 46 4.857 -0.291 7.568 1.00 0.00 C ATOM 710 CG ASP A 46 3.870 0.719 8.143 1.00 0.00 C ATOM 711 OD1 ASP A 46 3.448 0.560 9.260 1.00 0.00 O ATOM 712 OD2 ASP A 46 3.518 1.632 7.438 1.00 0.00 O ATOM 0 H ASP A 46 6.462 -2.240 7.312 1.00 0.00 H new ATOM 0 HA ASP A 46 6.381 0.125 9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.394 0.155 6.730 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.316 -1.153 7.178 1.00 0.00 H new ATOM 717 N GLY A 47 5.312 -0.945 10.979 1.00 0.00 N ATOM 718 CA GLY A 47 4.671 -1.531 12.146 1.00 0.00 C ATOM 719 C GLY A 47 3.163 -1.336 12.110 1.00 0.00 C ATOM 720 O GLY A 47 2.396 -2.305 12.026 1.00 0.00 O ATOM 0 H GLY A 47 5.911 -0.145 11.183 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.900 -2.596 12.192 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.076 -1.078 13.051 1.00 0.00 H new ATOM 724 N GLY A 48 2.735 -0.090 12.194 1.00 0.00 N ATOM 725 CA GLY A 48 1.317 0.216 12.279 1.00 0.00 C ATOM 726 C GLY A 48 0.554 -0.406 11.137 1.00 0.00 C ATOM 727 O GLY A 48 -0.489 -1.047 11.351 1.00 0.00 O ATOM 0 H GLY A 48 3.347 0.726 12.205 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.920 -0.149 13.226 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.175 1.297 12.269 1.00 0.00 H new ATOM 731 N SER A 49 1.080 -0.292 9.938 1.00 0.00 N ATOM 732 CA SER A 49 0.443 -0.910 8.804 1.00 0.00 C ATOM 733 C SER A 49 0.492 -2.431 8.917 1.00 0.00 C ATOM 734 O SER A 49 -0.456 -3.111 8.551 1.00 0.00 O ATOM 735 CB SER A 49 1.070 -0.441 7.493 1.00 0.00 C ATOM 736 OG SER A 49 1.112 0.991 7.477 1.00 0.00 O ATOM 0 H SER A 49 1.938 0.218 9.727 1.00 0.00 H new ATOM 0 HA SER A 49 -0.603 -0.602 8.800 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.076 -0.847 7.391 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.490 -0.809 6.647 1.00 0.00 H new ATOM 0 HG SER A 49 0.229 1.347 7.709 1.00 0.00 H new ATOM 742 N ALA A 50 1.576 -2.966 9.492 1.00 0.00 N ATOM 743 CA ALA A 50 1.698 -4.419 9.664 1.00 0.00 C ATOM 744 C ALA A 50 0.656 -4.931 10.628 1.00 0.00 C ATOM 745 O ALA A 50 0.043 -5.975 10.408 1.00 0.00 O ATOM 746 CB ALA A 50 3.094 -4.804 10.152 1.00 0.00 C ATOM 0 H ALA A 50 2.368 -2.426 9.841 1.00 0.00 H new ATOM 0 HA ALA A 50 1.536 -4.880 8.690 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.153 -5.886 10.270 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.837 -4.477 9.424 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.290 -4.324 11.111 1.00 0.00 H new ATOM 752 N LYS A 51 0.415 -4.158 11.663 1.00 0.00 N ATOM 753 CA LYS A 51 -0.592 -4.499 12.646 1.00 0.00 C ATOM 754 C LYS A 51 -1.954 -4.511 11.975 1.00 0.00 C ATOM 755 O LYS A 51 -2.827 -5.319 12.308 1.00 0.00 O ATOM 756 CB LYS A 51 -0.557 -3.496 13.803 1.00 0.00 C ATOM 757 CG LYS A 51 0.801 -3.590 14.524 1.00 0.00 C ATOM 758 CD LYS A 51 0.936 -4.943 15.249 1.00 0.00 C ATOM 759 CE LYS A 51 2.333 -5.053 15.877 1.00 0.00 C ATOM 760 NZ LYS A 51 2.575 -3.898 16.782 1.00 0.00 N ATOM 0 H LYS A 51 0.906 -3.283 11.848 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.392 -5.489 13.056 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.712 -2.485 13.426 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.367 -3.703 14.502 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.611 -3.475 13.803 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.895 -2.775 15.242 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.171 -5.032 16.021 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.776 -5.761 14.547 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.418 -5.986 16.434 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.092 -5.078 15.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.362 -4.119 17.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.815 -3.058 16.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.717 -3.707 17.339 1.00 0.00 H new ATOM 774 N ARG A 52 -2.107 -3.628 11.007 1.00 0.00 N ATOM 775 CA ARG A 52 -3.318 -3.535 10.209 1.00 0.00 C ATOM 776 C ARG A 52 -3.174 -4.247 8.854 1.00 0.00 C ATOM 777 O ARG A 52 -4.009 -4.079 7.956 1.00 0.00 O ATOM 778 CB ARG A 52 -3.767 -2.078 10.079 1.00 0.00 C ATOM 779 CG ARG A 52 -4.275 -1.626 11.460 1.00 0.00 C ATOM 780 CD ARG A 52 -4.681 -0.149 11.460 1.00 0.00 C ATOM 781 NE ARG A 52 -5.171 0.209 12.794 1.00 0.00 N ATOM 782 CZ ARG A 52 -5.417 1.469 13.180 1.00 0.00 C ATOM 783 NH1 ARG A 52 -5.236 2.466 12.352 1.00 0.00 N ATOM 784 NH2 ARG A 52 -5.832 1.691 14.390 1.00 0.00 N ATOM 0 H ARG A 52 -1.390 -2.949 10.749 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.112 -4.068 10.732 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.939 -1.450 9.750 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.555 -1.985 9.331 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.129 -2.238 11.752 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.496 -1.789 12.205 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.829 0.476 11.191 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.455 0.029 10.714 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.334 -0.541 13.465 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.905 2.288 11.404 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.426 3.421 12.655 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.967 0.912 15.034 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.023 2.645 14.697 1.00 0.00 H new ATOM 798 N ASP A 53 -2.159 -5.105 8.750 1.00 0.00 N ATOM 799 CA ASP A 53 -1.949 -5.941 7.559 1.00 0.00 C ATOM 800 C ASP A 53 -1.749 -5.121 6.307 1.00 0.00 C ATOM 801 O ASP A 53 -2.267 -5.463 5.237 1.00 0.00 O ATOM 802 CB ASP A 53 -3.125 -6.888 7.356 1.00 0.00 C ATOM 803 CG ASP A 53 -3.094 -7.977 8.378 1.00 0.00 C ATOM 804 OD1 ASP A 53 -2.257 -8.840 8.265 1.00 0.00 O ATOM 805 OD2 ASP A 53 -3.903 -7.939 9.271 1.00 0.00 O ATOM 0 H ASP A 53 -1.461 -5.243 9.481 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.038 -6.512 7.736 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.062 -6.336 7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.086 -7.318 6.355 1.00 0.00 H new ATOM 810 N GLY A 54 -1.098 -4.000 6.449 1.00 0.00 N ATOM 811 CA GLY A 54 -0.904 -3.096 5.337 1.00 0.00 C ATOM 812 C GLY A 54 -2.189 -2.351 5.040 1.00 0.00 C ATOM 813 O GLY A 54 -2.164 -1.220 4.559 1.00 0.00 O ATOM 0 H GLY A 54 -0.688 -3.684 7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.109 -2.387 5.569 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.586 -3.654 4.456 1.00 0.00 H new ATOM 817 N SER A 55 -3.316 -2.990 5.344 1.00 0.00 N ATOM 818 CA SER A 55 -4.627 -2.406 5.136 1.00 0.00 C ATOM 819 C SER A 55 -4.747 -1.076 5.862 1.00 0.00 C ATOM 820 O SER A 55 -5.184 -1.020 7.017 1.00 0.00 O ATOM 821 CB SER A 55 -5.711 -3.369 5.635 1.00 0.00 C ATOM 822 OG SER A 55 -5.124 -4.650 5.883 1.00 0.00 O ATOM 0 H SER A 55 -3.340 -3.929 5.742 1.00 0.00 H new ATOM 0 HA SER A 55 -4.760 -2.230 4.069 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.167 -2.982 6.546 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.505 -3.457 4.894 1.00 0.00 H new ATOM 0 HG SER A 55 -4.873 -4.718 6.828 1.00 0.00 H new ATOM 828 N LEU A 56 -4.418 -0.009 5.168 1.00 0.00 N ATOM 829 CA LEU A 56 -4.563 1.312 5.720 1.00 0.00 C ATOM 830 C LEU A 56 -6.022 1.566 5.988 1.00 0.00 C ATOM 831 O LEU A 56 -6.391 2.174 6.997 1.00 0.00 O ATOM 832 CB LEU A 56 -3.996 2.362 4.764 1.00 0.00 C ATOM 833 CG LEU A 56 -2.470 2.200 4.669 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.903 3.225 3.696 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.827 2.391 6.048 1.00 0.00 C ATOM 0 H LEU A 56 -4.048 -0.035 4.218 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.004 1.382 6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.446 2.251 3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.245 3.363 5.117 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.246 1.195 4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.821 3.106 3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.344 3.074 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.138 4.230 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.747 2.273 5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.056 3.389 6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.221 1.646 6.739 1.00 0.00 H new ATOM 847 N GLY A 57 -6.853 1.094 5.071 1.00 0.00 N ATOM 848 CA GLY A 57 -8.288 1.249 5.188 1.00 0.00 C ATOM 849 C GLY A 57 -8.765 2.321 4.250 1.00 0.00 C ATOM 850 O GLY A 57 -8.141 2.559 3.216 1.00 0.00 O ATOM 0 H GLY A 57 -6.551 0.597 4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.784 0.306 4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.552 1.507 6.214 1.00 0.00 H new ATOM 854 N TYR A 58 -9.811 3.021 4.650 1.00 0.00 N ATOM 855 CA TYR A 58 -10.336 4.135 3.888 1.00 0.00 C ATOM 856 C TYR A 58 -9.529 5.364 4.266 1.00 0.00 C ATOM 857 O TYR A 58 -9.426 5.689 5.453 1.00 0.00 O ATOM 858 CB TYR A 58 -11.782 4.429 4.333 1.00 0.00 C ATOM 859 CG TYR A 58 -12.664 3.198 4.268 1.00 0.00 C ATOM 860 CD1 TYR A 58 -12.544 2.190 5.238 1.00 0.00 C ATOM 861 CD2 TYR A 58 -13.617 3.074 3.260 1.00 0.00 C ATOM 862 CE1 TYR A 58 -13.366 1.067 5.190 1.00 0.00 C ATOM 863 CE2 TYR A 58 -14.440 1.948 3.217 1.00 0.00 C ATOM 864 CZ TYR A 58 -14.313 0.945 4.180 1.00 0.00 C ATOM 865 OH TYR A 58 -15.123 -0.172 4.119 1.00 0.00 O ATOM 0 H TYR A 58 -10.320 2.831 5.514 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.292 3.904 2.824 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.775 4.815 5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.203 5.209 3.699 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.811 2.286 6.025 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.719 3.848 2.513 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.268 0.292 5.936 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -15.179 1.852 2.435 1.00 0.00 H new ATOM 0 HH TYR A 58 -15.982 0.068 3.713 1.00 0.00 H new ATOM 875 N PHE A 59 -9.049 6.100 3.304 1.00 0.00 N ATOM 876 CA PHE A 59 -8.364 7.346 3.618 1.00 0.00 C ATOM 877 C PHE A 59 -8.585 8.394 2.558 1.00 0.00 C ATOM 878 O PHE A 59 -8.760 8.080 1.385 1.00 0.00 O ATOM 879 CB PHE A 59 -6.868 7.108 3.851 1.00 0.00 C ATOM 880 CG PHE A 59 -6.264 6.430 2.647 1.00 0.00 C ATOM 881 CD1 PHE A 59 -5.806 7.187 1.562 1.00 0.00 C ATOM 882 CD2 PHE A 59 -6.158 5.035 2.624 1.00 0.00 C ATOM 883 CE1 PHE A 59 -5.244 6.544 0.454 1.00 0.00 C ATOM 884 CE2 PHE A 59 -5.597 4.395 1.518 1.00 0.00 C ATOM 885 CZ PHE A 59 -5.139 5.149 0.432 1.00 0.00 C ATOM 0 H PHE A 59 -9.111 5.875 2.311 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.797 7.727 4.543 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.364 8.057 4.036 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.723 6.491 4.738 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.886 8.264 1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.511 4.453 3.463 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.891 7.125 -0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.516 3.318 1.500 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.704 4.654 -0.424 1.00 0.00 H new ATOM 895 N GLY A 60 -8.567 9.641 2.983 1.00 0.00 N ATOM 896 CA GLY A 60 -8.711 10.761 2.081 1.00 0.00 C ATOM 897 C GLY A 60 -7.336 11.263 1.686 1.00 0.00 C ATOM 898 O GLY A 60 -6.321 10.640 2.013 1.00 0.00 O ATOM 0 H GLY A 60 -8.452 9.904 3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.270 10.460 1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.279 11.559 2.560 1.00 0.00 H new ATOM 902 N ARG A 61 -7.291 12.401 1.027 1.00 0.00 N ATOM 903 CA ARG A 61 -6.030 12.974 0.607 1.00 0.00 C ATOM 904 C ARG A 61 -5.291 13.558 1.801 1.00 0.00 C ATOM 905 O ARG A 61 -5.916 14.050 2.753 1.00 0.00 O ATOM 906 CB ARG A 61 -6.265 14.099 -0.403 1.00 0.00 C ATOM 907 CG ARG A 61 -6.974 13.578 -1.659 1.00 0.00 C ATOM 908 CD ARG A 61 -7.002 14.703 -2.703 1.00 0.00 C ATOM 909 NE ARG A 61 -7.687 15.892 -2.170 1.00 0.00 N ATOM 910 CZ ARG A 61 -9.005 16.093 -2.291 1.00 0.00 C ATOM 911 NH1 ARG A 61 -9.740 15.245 -2.960 1.00 0.00 N ATOM 912 NH2 ARG A 61 -9.551 17.145 -1.748 1.00 0.00 N ATOM 0 H ARG A 61 -8.113 12.948 0.770 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.438 12.180 0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.865 14.885 0.057 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.311 14.547 -0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.452 12.707 -2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.988 13.260 -1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.984 14.963 -2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.510 14.358 -3.603 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.131 16.596 -1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.310 14.427 -3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.744 15.401 -3.050 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.974 17.811 -1.234 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.555 17.302 -1.838 1.00 0.00 H new ATOM 926 N GLY A 62 -3.985 13.625 1.689 1.00 0.00 N ATOM 927 CA GLY A 62 -3.153 14.312 2.659 1.00 0.00 C ATOM 928 C GLY A 62 -2.528 13.374 3.676 1.00 0.00 C ATOM 929 O GLY A 62 -1.429 13.635 4.170 1.00 0.00 O ATOM 0 H GLY A 62 -3.464 13.204 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.363 14.850 2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.753 15.057 3.181 1.00 0.00 H new ATOM 933 N LYS A 63 -3.240 12.317 4.043 1.00 0.00 N ATOM 934 CA LYS A 63 -2.734 11.411 5.070 1.00 0.00 C ATOM 935 C LYS A 63 -1.462 10.704 4.623 1.00 0.00 C ATOM 936 O LYS A 63 -0.515 10.562 5.399 1.00 0.00 O ATOM 937 CB LYS A 63 -3.787 10.392 5.504 1.00 0.00 C ATOM 938 CG LYS A 63 -4.917 11.110 6.253 1.00 0.00 C ATOM 939 CD LYS A 63 -5.949 10.088 6.744 1.00 0.00 C ATOM 940 CE LYS A 63 -5.603 9.671 8.184 1.00 0.00 C ATOM 941 NZ LYS A 63 -6.014 8.269 8.430 1.00 0.00 N ATOM 0 H LYS A 63 -4.150 12.067 3.656 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.492 12.030 5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.186 9.873 4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.334 9.636 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.510 11.664 7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.396 11.837 5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.950 10.518 6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.953 9.215 6.091 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.531 9.777 8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.104 10.333 8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.774 8.003 9.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.040 8.178 8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.517 7.640 7.767 1.00 0.00 H new ATOM 955 N MET A 64 -1.436 10.283 3.376 1.00 0.00 N ATOM 956 CA MET A 64 -0.276 9.597 2.823 1.00 0.00 C ATOM 957 C MET A 64 0.443 10.492 1.839 1.00 0.00 C ATOM 958 O MET A 64 -0.102 11.497 1.403 1.00 0.00 O ATOM 959 CB MET A 64 -0.674 8.279 2.156 1.00 0.00 C ATOM 960 CG MET A 64 -0.639 7.138 3.187 1.00 0.00 C ATOM 961 SD MET A 64 -1.818 7.478 4.519 1.00 0.00 S ATOM 962 CE MET A 64 -3.322 7.070 3.605 1.00 0.00 C ATOM 0 H MET A 64 -2.207 10.402 2.719 1.00 0.00 H new ATOM 0 HA MET A 64 0.400 9.363 3.646 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.673 8.365 1.729 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.006 8.058 1.333 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.884 6.192 2.704 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.366 7.036 3.596 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.930 7.967 3.486 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.056 6.679 2.623 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.888 6.318 4.154 1.00 0.00 H new ATOM 972 N VAL A 65 1.691 10.170 1.571 1.00 0.00 N ATOM 973 CA VAL A 65 2.524 10.986 0.706 1.00 0.00 C ATOM 974 C VAL A 65 1.979 11.022 -0.723 1.00 0.00 C ATOM 975 O VAL A 65 1.284 10.105 -1.158 1.00 0.00 O ATOM 976 CB VAL A 65 3.975 10.478 0.743 1.00 0.00 C ATOM 977 CG1 VAL A 65 4.455 10.460 2.194 1.00 0.00 C ATOM 978 CG2 VAL A 65 4.051 9.053 0.191 1.00 0.00 C ATOM 0 H VAL A 65 2.156 9.342 1.942 1.00 0.00 H new ATOM 0 HA VAL A 65 2.508 12.011 1.077 1.00 0.00 H new ATOM 0 HB VAL A 65 4.598 11.136 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.484 10.101 2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.407 11.468 2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.818 9.798 2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.084 8.705 0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.428 8.395 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.696 9.043 -0.840 1.00 0.00 H new ATOM 988 N LYS A 66 2.263 12.108 -1.423 1.00 0.00 N ATOM 989 CA LYS A 66 1.739 12.327 -2.769 1.00 0.00 C ATOM 990 C LYS A 66 1.822 11.069 -3.642 1.00 0.00 C ATOM 991 O LYS A 66 0.809 10.630 -4.189 1.00 0.00 O ATOM 992 CB LYS A 66 2.477 13.501 -3.440 1.00 0.00 C ATOM 993 CG LYS A 66 2.001 13.673 -4.893 1.00 0.00 C ATOM 994 CD LYS A 66 3.005 13.016 -5.859 1.00 0.00 C ATOM 995 CE LYS A 66 2.828 13.586 -7.274 1.00 0.00 C ATOM 996 NZ LYS A 66 1.388 13.839 -7.549 1.00 0.00 N ATOM 0 H LYS A 66 2.859 12.861 -1.080 1.00 0.00 H new ATOM 0 HA LYS A 66 0.682 12.574 -2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.297 14.419 -2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.552 13.321 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.016 13.222 -5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.899 14.733 -5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.023 13.192 -5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.855 11.936 -5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.393 14.513 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.229 12.887 -8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.267 14.111 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.841 12.975 -7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.047 14.608 -6.937 1.00 0.00 H new ATOM 1010 N PRO A 67 2.999 10.507 -3.832 1.00 0.00 N ATOM 1011 CA PRO A 67 3.121 9.318 -4.738 1.00 0.00 C ATOM 1012 C PRO A 67 2.239 8.178 -4.246 1.00 0.00 C ATOM 1013 O PRO A 67 1.639 7.449 -5.040 1.00 0.00 O ATOM 1014 CB PRO A 67 4.608 8.938 -4.649 1.00 0.00 C ATOM 1015 CG PRO A 67 5.069 9.497 -3.345 1.00 0.00 C ATOM 1016 CD PRO A 67 4.285 10.793 -3.153 1.00 0.00 C ATOM 0 HA PRO A 67 2.803 9.528 -5.759 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.742 7.857 -4.685 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.174 9.358 -5.481 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.878 8.799 -2.530 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.142 9.686 -3.357 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.142 11.026 -2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.797 11.645 -3.600 1.00 0.00 H new ATOM 1024 N PHE A 68 2.082 8.102 -2.937 1.00 0.00 N ATOM 1025 CA PHE A 68 1.201 7.122 -2.335 1.00 0.00 C ATOM 1026 C PHE A 68 -0.223 7.362 -2.807 1.00 0.00 C ATOM 1027 O PHE A 68 -0.929 6.433 -3.207 1.00 0.00 O ATOM 1028 CB PHE A 68 1.243 7.232 -0.810 1.00 0.00 C ATOM 1029 CG PHE A 68 0.510 6.072 -0.209 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -0.891 6.068 -0.174 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.229 4.987 0.298 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -1.566 4.979 0.370 1.00 0.00 C ATOM 1033 CE2 PHE A 68 0.554 3.900 0.838 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.844 3.893 0.876 1.00 0.00 C ATOM 0 H PHE A 68 2.556 8.710 -2.269 1.00 0.00 H new ATOM 0 HA PHE A 68 1.532 6.127 -2.632 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.276 7.243 -0.463 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.789 8.170 -0.489 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.445 6.907 -0.568 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.309 4.993 0.270 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.646 4.973 0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.109 3.060 1.229 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.367 3.047 1.297 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.640 8.623 -2.744 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.993 9.003 -3.127 1.00 0.00 C ATOM 1046 C GLU A 69 -2.221 8.708 -4.594 1.00 0.00 C ATOM 1047 O GLU A 69 -3.252 8.140 -4.981 1.00 0.00 O ATOM 1048 CB GLU A 69 -2.194 10.503 -2.898 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.196 10.828 -1.402 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.276 12.330 -1.212 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -1.563 13.035 -1.895 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -3.048 12.765 -0.402 1.00 0.00 O ATOM 0 H GLU A 69 -0.058 9.400 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.697 8.433 -2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.401 11.061 -3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.136 10.821 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.042 10.343 -0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.292 10.439 -0.933 1.00 0.00 H new ATOM 1059 N ASP A 70 -1.254 9.080 -5.415 1.00 0.00 N ATOM 1060 CA ASP A 70 -1.387 8.867 -6.844 1.00 0.00 C ATOM 1061 C ASP A 70 -1.493 7.394 -7.145 1.00 0.00 C ATOM 1062 O ASP A 70 -2.332 6.976 -7.944 1.00 0.00 O ATOM 1063 CB ASP A 70 -0.224 9.503 -7.621 1.00 0.00 C ATOM 1064 CG ASP A 70 -0.498 10.975 -7.895 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -1.647 11.361 -7.892 1.00 0.00 O ATOM 1066 OD2 ASP A 70 0.446 11.699 -8.126 1.00 0.00 O ATOM 0 H ASP A 70 -0.383 9.523 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.303 9.357 -7.173 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.699 9.400 -7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.078 8.974 -8.563 1.00 0.00 H new ATOM 1071 N ALA A 71 -0.703 6.596 -6.440 1.00 0.00 N ATOM 1072 CA ALA A 71 -0.783 5.149 -6.577 1.00 0.00 C ATOM 1073 C ALA A 71 -2.144 4.656 -6.098 1.00 0.00 C ATOM 1074 O ALA A 71 -2.754 3.776 -6.713 1.00 0.00 O ATOM 1075 CB ALA A 71 0.326 4.474 -5.768 1.00 0.00 C ATOM 0 H ALA A 71 -0.005 6.923 -5.772 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.657 4.892 -7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.252 3.392 -5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.297 4.811 -6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.220 4.737 -4.715 1.00 0.00 H new ATOM 1081 N ALA A 72 -2.608 5.226 -4.993 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.875 4.828 -4.395 1.00 0.00 C ATOM 1083 C ALA A 72 -5.034 5.013 -5.364 1.00 0.00 C ATOM 1084 O ALA A 72 -5.837 4.102 -5.563 1.00 0.00 O ATOM 1085 CB ALA A 72 -4.131 5.618 -3.110 1.00 0.00 C ATOM 0 H ALA A 72 -2.122 5.969 -4.491 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.806 3.767 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.082 5.308 -2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.328 5.426 -2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.166 6.683 -3.339 1.00 0.00 H new ATOM 1091 N PHE A 73 -5.118 6.185 -5.972 1.00 0.00 N ATOM 1092 CA PHE A 73 -6.197 6.460 -6.918 1.00 0.00 C ATOM 1093 C PHE A 73 -6.092 5.570 -8.147 1.00 0.00 C ATOM 1094 O PHE A 73 -7.110 5.156 -8.713 1.00 0.00 O ATOM 1095 CB PHE A 73 -6.222 7.939 -7.329 1.00 0.00 C ATOM 1096 CG PHE A 73 -6.724 8.777 -6.174 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -8.082 8.733 -5.813 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -5.839 9.582 -5.457 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -8.544 9.501 -4.739 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -6.299 10.349 -4.383 1.00 0.00 C ATOM 1101 CZ PHE A 73 -7.652 10.308 -4.023 1.00 0.00 C ATOM 0 H PHE A 73 -4.463 6.955 -5.833 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.135 6.235 -6.410 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.223 8.263 -7.620 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.866 8.075 -8.197 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.768 8.107 -6.364 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.795 9.613 -5.733 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.588 9.471 -4.463 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.612 10.973 -3.831 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.007 10.900 -3.192 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.870 5.327 -8.596 1.00 0.00 N ATOM 1112 CA ARG A 74 -4.636 4.536 -9.800 1.00 0.00 C ATOM 1113 C ARG A 74 -5.078 3.080 -9.659 1.00 0.00 C ATOM 1114 O ARG A 74 -5.527 2.471 -10.630 1.00 0.00 O ATOM 1115 CB ARG A 74 -3.170 4.594 -10.219 1.00 0.00 C ATOM 1116 CG ARG A 74 -2.838 5.991 -10.759 1.00 0.00 C ATOM 1117 CD ARG A 74 -1.353 6.051 -11.122 1.00 0.00 C ATOM 1118 NE ARG A 74 -1.061 5.098 -12.198 1.00 0.00 N ATOM 1119 CZ ARG A 74 0.101 4.450 -12.282 1.00 0.00 C ATOM 1120 NH1 ARG A 74 1.051 4.689 -11.415 1.00 0.00 N ATOM 1121 NH2 ARG A 74 0.293 3.595 -13.244 1.00 0.00 N ATOM 0 H ARG A 74 -4.021 5.667 -8.145 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.254 4.987 -10.577 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.530 4.362 -9.368 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.971 3.842 -10.983 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.448 6.209 -11.636 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.073 6.748 -10.011 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.088 7.060 -11.437 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.746 5.820 -10.246 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.773 4.925 -12.908 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.904 5.373 -10.672 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.939 4.192 -11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.443 3.424 -13.929 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.180 3.096 -13.313 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.843 2.484 -8.498 1.00 0.00 N ATOM 1136 CA LEU A 75 -5.109 1.051 -8.342 1.00 0.00 C ATOM 1137 C LEU A 75 -6.481 0.786 -7.779 1.00 0.00 C ATOM 1138 O LEU A 75 -6.749 -0.315 -7.307 1.00 0.00 O ATOM 1139 CB LEU A 75 -4.078 0.359 -7.462 1.00 0.00 C ATOM 1140 CG LEU A 75 -2.654 0.682 -7.908 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -1.695 -0.026 -6.973 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -2.398 0.216 -9.352 1.00 0.00 C ATOM 0 H LEU A 75 -4.478 2.951 -7.668 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.047 0.638 -9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.215 0.670 -6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.235 -0.719 -7.495 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.507 1.762 -7.876 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.669 0.190 -7.272 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.857 0.323 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.868 -1.101 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.375 0.461 -9.638 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.544 -0.862 -9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.093 0.718 -10.025 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.354 1.771 -7.829 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.704 1.589 -7.315 1.00 0.00 C ATOM 1156 C GLN A 76 -9.357 0.385 -7.983 1.00 0.00 C ATOM 1157 O GLN A 76 -10.294 -0.197 -7.455 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.546 2.848 -7.522 1.00 0.00 C ATOM 1159 CG GLN A 76 -9.013 3.960 -6.618 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.792 5.240 -6.855 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -10.813 5.471 -6.211 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -9.381 6.078 -7.748 1.00 0.00 N ATOM 0 H GLN A 76 -7.161 2.696 -8.214 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.644 1.406 -6.242 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.506 3.160 -8.566 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.591 2.644 -7.290 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.097 3.662 -5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.955 4.126 -6.818 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.533 5.882 -8.280 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.904 6.936 -7.921 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.818 -0.007 -9.123 1.00 0.00 N ATOM 1172 CA VAL A 77 -9.273 -1.195 -9.819 1.00 0.00 C ATOM 1173 C VAL A 77 -8.989 -2.485 -8.998 1.00 0.00 C ATOM 1174 O VAL A 77 -9.730 -3.466 -9.103 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.666 -1.246 -11.231 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -7.141 -1.230 -11.148 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -9.131 -2.514 -11.958 1.00 0.00 C ATOM 0 H VAL A 77 -8.057 0.486 -9.590 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.356 -1.142 -9.928 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.002 -0.371 -11.788 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.721 -1.266 -12.153 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.813 -0.317 -10.651 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.798 -2.095 -10.580 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.696 -2.541 -12.957 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.810 -3.393 -11.399 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.218 -2.511 -12.036 1.00 0.00 H new ATOM 1187 N GLY A 78 -7.955 -2.456 -8.139 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.630 -3.611 -7.277 1.00 0.00 C ATOM 1189 C GLY A 78 -6.204 -4.091 -7.462 1.00 0.00 C ATOM 1190 O GLY A 78 -5.786 -5.089 -6.864 1.00 0.00 O ATOM 0 H GLY A 78 -7.334 -1.655 -8.022 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.785 -3.336 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.316 -4.429 -7.497 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.473 -3.399 -8.282 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.113 -3.763 -8.602 1.00 0.00 C ATOM 1196 C GLU A 79 -3.160 -3.624 -7.421 1.00 0.00 C ATOM 1197 O GLU A 79 -3.485 -3.005 -6.407 1.00 0.00 O ATOM 1198 CB GLU A 79 -3.615 -2.890 -9.725 1.00 0.00 C ATOM 1199 CG GLU A 79 -4.296 -3.241 -11.033 1.00 0.00 C ATOM 1200 CD GLU A 79 -3.737 -2.348 -12.104 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -4.210 -1.247 -12.230 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -2.814 -2.762 -12.764 1.00 0.00 O ATOM 0 H GLU A 79 -5.800 -2.557 -8.756 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.129 -4.815 -8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.800 -1.843 -9.485 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.536 -3.007 -9.830 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.124 -4.288 -11.283 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.374 -3.106 -10.949 1.00 0.00 H new ATOM 1209 N VAL A 80 -1.920 -4.065 -7.656 1.00 0.00 N ATOM 1210 CA VAL A 80 -0.803 -3.853 -6.743 1.00 0.00 C ATOM 1211 C VAL A 80 0.147 -2.873 -7.426 1.00 0.00 C ATOM 1212 O VAL A 80 0.403 -2.999 -8.630 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.054 -5.182 -6.491 1.00 0.00 C ATOM 1214 CG1 VAL A 80 1.253 -4.924 -5.737 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -0.920 -6.137 -5.678 1.00 0.00 C ATOM 0 H VAL A 80 -1.666 -4.584 -8.496 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.161 -3.472 -5.787 1.00 0.00 H new ATOM 0 HB VAL A 80 0.169 -5.632 -7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.768 -5.870 -5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.890 -4.265 -6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.033 -4.454 -4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.377 -7.067 -5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.163 -5.680 -4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.840 -6.347 -6.223 1.00 0.00 H new ATOM 1225 N SER A 81 0.578 -1.863 -6.713 1.00 0.00 N ATOM 1226 CA SER A 81 1.399 -0.811 -7.308 1.00 0.00 C ATOM 1227 C SER A 81 2.805 -1.271 -7.588 1.00 0.00 C ATOM 1228 O SER A 81 3.322 -2.187 -6.931 1.00 0.00 O ATOM 1229 CB SER A 81 1.439 0.404 -6.384 1.00 0.00 C ATOM 1230 OG SER A 81 1.231 -0.038 -5.048 1.00 0.00 O ATOM 0 H SER A 81 0.380 -1.737 -5.720 1.00 0.00 H new ATOM 0 HA SER A 81 0.940 -0.546 -8.261 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.399 0.913 -6.469 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.670 1.122 -6.669 1.00 0.00 H new ATOM 0 HG SER A 81 0.271 -0.157 -4.889 1.00 0.00 H new ATOM 1236 N GLU A 82 3.463 -0.534 -8.465 1.00 0.00 N ATOM 1237 CA GLU A 82 4.878 -0.699 -8.703 1.00 0.00 C ATOM 1238 C GLU A 82 5.598 -0.179 -7.471 1.00 0.00 C ATOM 1239 O GLU A 82 4.952 0.367 -6.577 1.00 0.00 O ATOM 1240 CB GLU A 82 5.296 0.114 -9.945 1.00 0.00 C ATOM 1241 CG GLU A 82 4.447 1.393 -10.042 1.00 0.00 C ATOM 1242 CD GLU A 82 5.186 2.445 -10.829 1.00 0.00 C ATOM 1243 OE1 GLU A 82 5.466 2.208 -11.978 1.00 0.00 O ATOM 1244 OE2 GLU A 82 5.462 3.483 -10.277 1.00 0.00 O ATOM 0 H GLU A 82 3.027 0.195 -9.030 1.00 0.00 H new ATOM 0 HA GLU A 82 5.127 -1.745 -8.884 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.353 0.372 -9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.167 -0.488 -10.845 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.494 1.171 -10.522 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.222 1.766 -9.043 1.00 0.00 H new ATOM 1251 N PRO A 83 6.892 -0.287 -7.391 1.00 0.00 N ATOM 1252 CA PRO A 83 7.581 0.268 -6.191 1.00 0.00 C ATOM 1253 C PRO A 83 7.274 1.756 -6.059 1.00 0.00 C ATOM 1254 O PRO A 83 7.380 2.509 -7.039 1.00 0.00 O ATOM 1255 CB PRO A 83 9.073 0.049 -6.491 1.00 0.00 C ATOM 1256 CG PRO A 83 9.089 -1.072 -7.470 1.00 0.00 C ATOM 1257 CD PRO A 83 7.867 -0.843 -8.349 1.00 0.00 C ATOM 0 HA PRO A 83 7.268 -0.202 -5.259 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.531 0.947 -6.906 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.628 -0.204 -5.587 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.006 -1.068 -8.060 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.038 -2.037 -6.966 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.076 -0.151 -9.164 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.511 -1.769 -8.800 1.00 0.00 H new ATOM 1265 N VAL A 84 6.943 2.188 -4.859 1.00 0.00 N ATOM 1266 CA VAL A 84 6.676 3.592 -4.604 1.00 0.00 C ATOM 1267 C VAL A 84 7.714 4.098 -3.632 1.00 0.00 C ATOM 1268 O VAL A 84 7.932 3.490 -2.592 1.00 0.00 O ATOM 1269 CB VAL A 84 5.260 3.756 -4.014 1.00 0.00 C ATOM 1270 CG1 VAL A 84 5.065 5.177 -3.466 1.00 0.00 C ATOM 1271 CG2 VAL A 84 4.211 3.479 -5.099 1.00 0.00 C ATOM 0 H VAL A 84 6.852 1.585 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 84 6.726 4.164 -5.530 1.00 0.00 H new ATOM 0 HB VAL A 84 5.141 3.044 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.060 5.273 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.798 5.369 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.198 5.899 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.212 3.596 -4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.343 4.183 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.331 2.461 -5.470 1.00 0.00 H new ATOM 1281 N LYS A 85 8.391 5.174 -3.987 1.00 0.00 N ATOM 1282 CA LYS A 85 9.451 5.680 -3.139 1.00 0.00 C ATOM 1283 C LYS A 85 8.961 6.810 -2.266 1.00 0.00 C ATOM 1284 O LYS A 85 8.292 7.735 -2.737 1.00 0.00 O ATOM 1285 CB LYS A 85 10.668 6.131 -3.960 1.00 0.00 C ATOM 1286 CG LYS A 85 11.801 6.571 -3.006 1.00 0.00 C ATOM 1287 CD LYS A 85 12.289 5.359 -2.183 1.00 0.00 C ATOM 1288 CE LYS A 85 13.567 5.727 -1.422 1.00 0.00 C ATOM 1289 NZ LYS A 85 13.257 6.786 -0.434 1.00 0.00 N ATOM 0 H LYS A 85 8.229 5.706 -4.842 1.00 0.00 H new ATOM 0 HA LYS A 85 9.764 4.857 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.011 5.317 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.391 6.955 -4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.628 6.991 -3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.444 7.356 -2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.514 5.049 -1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.479 4.513 -2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.970 4.849 -0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.331 6.074 -2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.927 6.728 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.337 7.718 -0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.288 6.656 -0.078 1.00 0.00 H new ATOM 1303 N SER A 86 9.340 6.754 -1.015 1.00 0.00 N ATOM 1304 CA SER A 86 9.022 7.776 -0.058 1.00 0.00 C ATOM 1305 C SER A 86 10.274 8.079 0.736 1.00 0.00 C ATOM 1306 O SER A 86 11.237 7.292 0.710 1.00 0.00 O ATOM 1307 CB SER A 86 7.941 7.264 0.894 1.00 0.00 C ATOM 1308 OG SER A 86 8.523 6.293 1.771 1.00 0.00 O ATOM 0 H SER A 86 9.887 5.984 -0.629 1.00 0.00 H new ATOM 0 HA SER A 86 8.661 8.670 -0.566 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.522 8.090 1.469 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.121 6.820 0.330 1.00 0.00 H new ATOM 0 HG SER A 86 7.816 5.732 2.153 1.00 0.00 H new ATOM 1314 N GLU A 87 10.237 9.131 1.522 1.00 0.00 N ATOM 1315 CA GLU A 87 11.338 9.414 2.425 1.00 0.00 C ATOM 1316 C GLU A 87 11.462 8.247 3.394 1.00 0.00 C ATOM 1317 O GLU A 87 12.563 7.840 3.770 1.00 0.00 O ATOM 1318 CB GLU A 87 11.102 10.722 3.213 1.00 0.00 C ATOM 1319 CG GLU A 87 9.640 11.191 3.082 1.00 0.00 C ATOM 1320 CD GLU A 87 9.373 11.676 1.679 1.00 0.00 C ATOM 1321 OE1 GLU A 87 10.056 12.573 1.245 1.00 0.00 O ATOM 1322 OE2 GLU A 87 8.502 11.128 1.046 1.00 0.00 O ATOM 0 H GLU A 87 9.468 9.800 1.558 1.00 0.00 H new ATOM 0 HA GLU A 87 12.253 9.541 1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.345 10.566 4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.771 11.499 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.964 10.371 3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.442 11.991 3.795 1.00 0.00 H new ATOM 1329 N PHE A 88 10.311 7.672 3.726 1.00 0.00 N ATOM 1330 CA PHE A 88 10.242 6.508 4.596 1.00 0.00 C ATOM 1331 C PHE A 88 10.936 5.306 3.975 1.00 0.00 C ATOM 1332 O PHE A 88 11.590 4.538 4.674 1.00 0.00 O ATOM 1333 CB PHE A 88 8.781 6.146 4.896 1.00 0.00 C ATOM 1334 CG PHE A 88 8.188 7.129 5.883 1.00 0.00 C ATOM 1335 CD1 PHE A 88 8.566 7.084 7.228 1.00 0.00 C ATOM 1336 CD2 PHE A 88 7.253 8.083 5.452 1.00 0.00 C ATOM 1337 CE1 PHE A 88 8.012 7.987 8.144 1.00 0.00 C ATOM 1338 CE2 PHE A 88 6.700 8.988 6.366 1.00 0.00 C ATOM 1339 CZ PHE A 88 7.082 8.938 7.712 1.00 0.00 C ATOM 0 H PHE A 88 9.402 8.001 3.399 1.00 0.00 H new ATOM 0 HA PHE A 88 10.754 6.767 5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.201 6.152 3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.725 5.135 5.301 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.286 6.352 7.561 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.960 8.119 4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.303 7.949 9.183 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.981 9.722 6.034 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.657 9.636 8.419 1.00 0.00 H new ATOM 1349 N GLY A 89 10.727 5.096 2.688 1.00 0.00 N ATOM 1350 CA GLY A 89 11.300 3.933 2.023 1.00 0.00 C ATOM 1351 C GLY A 89 10.523 3.571 0.777 1.00 0.00 C ATOM 1352 O GLY A 89 9.982 4.450 0.098 1.00 0.00 O ATOM 0 H GLY A 89 10.173 5.705 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.338 4.137 1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.306 3.086 2.709 1.00 0.00 H new ATOM 1356 N TYR A 90 10.448 2.279 0.487 1.00 0.00 N ATOM 1357 CA TYR A 90 9.716 1.784 -0.667 1.00 0.00 C ATOM 1358 C TYR A 90 8.394 1.187 -0.240 1.00 0.00 C ATOM 1359 O TYR A 90 8.353 0.356 0.657 1.00 0.00 O ATOM 1360 CB TYR A 90 10.546 0.731 -1.410 1.00 0.00 C ATOM 1361 CG TYR A 90 11.356 1.383 -2.505 1.00 0.00 C ATOM 1362 CD1 TYR A 90 10.704 1.918 -3.623 1.00 0.00 C ATOM 1363 CD2 TYR A 90 12.749 1.442 -2.413 1.00 0.00 C ATOM 1364 CE1 TYR A 90 11.444 2.514 -4.647 1.00 0.00 C ATOM 1365 CE2 TYR A 90 13.490 2.038 -3.439 1.00 0.00 C ATOM 1366 CZ TYR A 90 12.838 2.575 -4.554 1.00 0.00 C ATOM 1367 OH TYR A 90 13.571 3.162 -5.561 1.00 0.00 O ATOM 0 H TYR A 90 10.892 1.548 1.044 1.00 0.00 H new ATOM 0 HA TYR A 90 9.523 2.622 -1.336 1.00 0.00 H new ATOM 0 HB2 TYR A 90 11.209 0.221 -0.711 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.888 -0.027 -1.836 1.00 0.00 H new ATOM 0 HD1 TYR A 90 9.627 1.870 -3.694 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.252 1.028 -1.552 1.00 0.00 H new ATOM 0 HE1 TYR A 90 10.941 2.927 -5.509 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.567 2.084 -3.370 1.00 0.00 H new ATOM 0 HH TYR A 90 14.524 3.121 -5.338 1.00 0.00 H new ATOM 1377 N HIS A 91 7.322 1.587 -0.905 1.00 0.00 N ATOM 1378 CA HIS A 91 5.991 1.086 -0.594 1.00 0.00 C ATOM 1379 C HIS A 91 5.419 0.309 -1.760 1.00 0.00 C ATOM 1380 O HIS A 91 5.517 0.750 -2.913 1.00 0.00 O ATOM 1381 CB HIS A 91 5.027 2.242 -0.289 1.00 0.00 C ATOM 1382 CG HIS A 91 5.541 3.097 0.831 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.965 3.083 2.087 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.547 4.018 0.890 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.620 3.974 2.846 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.595 4.572 2.166 1.00 0.00 N ATOM 0 H HIS A 91 7.348 2.262 -1.669 1.00 0.00 H new ATOM 0 HA HIS A 91 6.092 0.439 0.277 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.892 2.851 -1.183 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.048 1.842 -0.025 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.182 2.500 2.384 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.204 4.277 0.073 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.385 4.180 3.880 1.00 0.00 H new ATOM 1394 N VAL A 92 4.671 -0.731 -1.439 1.00 0.00 N ATOM 1395 CA VAL A 92 3.843 -1.423 -2.408 1.00 0.00 C ATOM 1396 C VAL A 92 2.396 -1.273 -1.936 1.00 0.00 C ATOM 1397 O VAL A 92 2.110 -1.476 -0.750 1.00 0.00 O ATOM 1398 CB VAL A 92 4.246 -2.909 -2.491 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.239 -3.687 -3.343 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.640 -3.027 -3.121 1.00 0.00 C ATOM 0 H VAL A 92 4.621 -1.120 -0.497 1.00 0.00 H new ATOM 0 HA VAL A 92 3.966 -1.003 -3.406 1.00 0.00 H new ATOM 0 HB VAL A 92 4.257 -3.327 -1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.537 -4.734 -3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.248 -3.612 -2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.214 -3.269 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.925 -4.077 -3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.624 -2.599 -4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.363 -2.489 -2.508 1.00 0.00 H new ATOM 1410 N ILE A 93 1.523 -0.802 -2.807 1.00 0.00 N ATOM 1411 CA ILE A 93 0.154 -0.481 -2.418 1.00 0.00 C ATOM 1412 C ILE A 93 -0.841 -1.305 -3.215 1.00 0.00 C ATOM 1413 O ILE A 93 -0.814 -1.288 -4.454 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.113 1.014 -2.672 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.850 1.862 -1.842 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.554 1.375 -2.273 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.766 3.314 -2.313 1.00 0.00 C ATOM 0 H ILE A 93 1.734 -0.632 -3.790 1.00 0.00 H new ATOM 0 HA ILE A 93 0.033 -0.711 -1.360 1.00 0.00 H new ATOM 0 HB ILE A 93 0.033 1.213 -3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.596 1.794 -0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.869 1.489 -1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.728 2.435 -2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.254 0.784 -2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.702 1.162 -1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.450 3.927 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.040 3.371 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.252 3.680 -2.183 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.764 -1.942 -2.514 1.00 0.00 N ATOM 1430 CA LYS A 94 -2.869 -2.660 -3.138 1.00 0.00 C ATOM 1431 C LYS A 94 -4.188 -2.071 -2.663 1.00 0.00 C ATOM 1432 O LYS A 94 -4.250 -1.425 -1.614 1.00 0.00 O ATOM 1433 CB LYS A 94 -2.822 -4.172 -2.832 1.00 0.00 C ATOM 1434 CG LYS A 94 -3.936 -4.892 -3.636 1.00 0.00 C ATOM 1435 CD LYS A 94 -3.863 -6.409 -3.408 1.00 0.00 C ATOM 1436 CE LYS A 94 -4.972 -7.110 -4.224 1.00 0.00 C ATOM 1437 NZ LYS A 94 -4.776 -6.877 -5.689 1.00 0.00 N ATOM 0 H LYS A 94 -1.771 -1.977 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.778 -2.545 -4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.846 -4.578 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.959 -4.343 -1.764 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.913 -4.518 -3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.828 -4.671 -4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.885 -6.785 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.980 -6.634 -2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.963 -8.180 -4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.948 -6.734 -3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.989 -7.751 -6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.413 -6.119 -6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.790 -6.599 -5.867 1.00 0.00 H new ATOM 1451 N ARG A 95 -5.239 -2.311 -3.421 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.564 -1.807 -3.089 1.00 0.00 C ATOM 1453 C ARG A 95 -7.157 -2.631 -1.964 1.00 0.00 C ATOM 1454 O ARG A 95 -7.020 -3.851 -1.943 1.00 0.00 O ATOM 1455 CB ARG A 95 -7.493 -1.967 -4.290 1.00 0.00 C ATOM 1456 CG ARG A 95 -8.752 -1.099 -4.132 1.00 0.00 C ATOM 1457 CD ARG A 95 -9.844 -1.673 -5.040 1.00 0.00 C ATOM 1458 NE ARG A 95 -10.936 -0.733 -5.260 1.00 0.00 N ATOM 1459 CZ ARG A 95 -11.812 -0.381 -4.319 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.658 -0.781 -3.086 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -12.825 0.373 -4.639 1.00 0.00 N ATOM 0 H ARG A 95 -5.203 -2.858 -4.281 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.469 -0.760 -2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.966 -1.687 -5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.779 -3.013 -4.396 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.084 -1.095 -3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.538 -0.065 -4.402 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.407 -1.948 -6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.239 -2.587 -4.596 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.036 -0.321 -6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.862 -1.368 -2.836 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.333 -0.507 -2.373 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.942 0.688 -5.602 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.501 0.648 -3.927 1.00 0.00 H new ATOM 1475 N LEU A 96 -7.885 -1.973 -1.100 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.612 -2.622 -0.036 1.00 0.00 C ATOM 1477 C LEU A 96 -10.103 -2.552 -0.357 1.00 0.00 C ATOM 1478 O LEU A 96 -10.548 -1.605 -1.008 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.313 -1.934 1.300 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.029 -2.668 2.429 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -8.444 -4.072 2.580 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -8.856 -1.898 3.741 1.00 0.00 C ATOM 0 H LEU A 96 -7.992 -0.959 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.306 -3.665 0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.239 -1.926 1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.639 -0.894 1.265 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.090 -2.740 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.957 -4.595 3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.576 -4.623 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.381 -4.000 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.370 -2.427 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.795 -1.819 3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.280 -0.899 3.635 1.00 0.00 H new ATOM 1494 N GLY A 97 -10.837 -3.609 -0.050 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.249 -3.681 -0.422 1.00 0.00 C ATOM 1496 C GLY A 97 -13.143 -3.958 0.775 1.00 0.00 C ATOM 1497 O GLY A 97 -14.152 -4.578 0.594 1.00 0.00 O ATOM 1498 OXT GLY A 97 -12.806 -3.541 1.853 1.00 0.00 O ATOM 0 H GLY A 97 -10.487 -4.425 0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.549 -2.742 -0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.388 -4.465 -1.166 1.00 0.00 H new