USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=23 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 20 GLN : amide:sc= 1.31 K(o=2,f=1.1!) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0.729 USER MOD Set 2.1: A 14 HIS : no HD1:sc= -1.94! C(o=-2.5!,f=-14!) USER MOD Set 2.2: A 49 SER OG : rot 150:sc= 0.94 USER MOD Set 2.3: A 86 SER OG : rot -149:sc= 0.44 USER MOD Set 2.4: A 91 HIS : no HE2:sc= -1.89! C(o=-2.5!,f=-21!) USER MOD Set 3.1: A 11 LYS NZ :NH3+ 175:sc= 0.151! (180deg=-0.378!) USER MOD Set 3.2: A 58 TYR OH : rot 180:sc= 0.745 USER MOD Single : A 9 LYS NZ :NH3+ 147:sc= -0.422 (180deg=-1.52!) USER MOD Single : A 12 CYS SG : rot 180:sc= -3.91! USER MOD Single : A 13 SER OG : rot 113:sc= -0.876 USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= -0.954 (180deg=-1.47) USER MOD Single : A 19 LYS NZ :NH3+ 169:sc= -0.0185 (180deg=-0.266) USER MOD Single : A 27 GLN : amide:sc= -9.31! C(o=-9.3!,f=-8.8!) USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= 0.608 (180deg=-0.664!) USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= -0.99 (180deg=-2.2) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= 0.126 (180deg=-0.407!) USER MOD Single : A 41 LYS NZ :NH3+ -136:sc= 1.64 (180deg=-1.5!) USER MOD Single : A 44 SER OG : rot -19:sc= -0.076 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.188 USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= 1.1 (180deg=-1.83!) USER MOD Single : A 64 MET CE :methyl -168:sc= -8.45 (180deg=-9.22!) USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= -1.3! (180deg=-4.33!) USER MOD Single : A 76 GLN : amide:sc= 0.381 K(o=0.38,f=-0.61) USER MOD Single : A 81 SER OG : rot -80:sc= -3.33! USER MOD Single : A 85 LYS NZ :NH3+ -160:sc= -0.0478 (180deg=-0.862) USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= 0.126 (180deg=-0.0902) USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 9 -12.131 9.383 1.745 1.00 0.00 N ATOM 97 CA LYS A 9 -10.938 8.617 2.042 1.00 0.00 C ATOM 98 C LYS A 9 -10.710 7.550 0.990 1.00 0.00 C ATOM 99 O LYS A 9 -11.642 7.171 0.262 1.00 0.00 O ATOM 100 CB LYS A 9 -11.097 7.965 3.404 1.00 0.00 C ATOM 101 CG LYS A 9 -11.355 9.071 4.418 1.00 0.00 C ATOM 102 CD LYS A 9 -11.589 8.493 5.802 1.00 0.00 C ATOM 103 CE LYS A 9 -12.306 9.537 6.656 1.00 0.00 C ATOM 104 NZ LYS A 9 -13.620 9.867 6.028 1.00 0.00 N ATOM 0 HA LYS A 9 -10.077 9.286 2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.924 7.255 3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.199 7.406 3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.505 9.752 4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.223 9.655 4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.187 7.584 5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.640 8.217 6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.458 9.156 7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.695 10.435 6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.314 10.086 6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.509 10.692 5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.953 9.054 5.472 1.00 0.00 H new ATOM 118 N ILE A 10 -9.502 7.013 0.968 1.00 0.00 N ATOM 119 CA ILE A 10 -9.165 5.924 0.069 1.00 0.00 C ATOM 120 C ILE A 10 -9.039 4.660 0.886 1.00 0.00 C ATOM 121 O ILE A 10 -8.358 4.658 1.908 1.00 0.00 O ATOM 122 CB ILE A 10 -7.820 6.166 -0.641 1.00 0.00 C ATOM 123 CG1 ILE A 10 -7.833 7.497 -1.388 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.584 5.039 -1.659 1.00 0.00 C ATOM 125 CD1 ILE A 10 -6.425 7.789 -1.924 1.00 0.00 C ATOM 0 H ILE A 10 -8.734 7.316 1.567 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.948 5.848 -0.686 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.029 6.186 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.547 7.459 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.155 8.298 -0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.634 5.201 -2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.560 4.080 -1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.391 5.035 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.429 8.739 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.723 7.844 -1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.122 6.992 -2.603 1.00 0.00 H new ATOM 137 N LYS A 11 -9.678 3.592 0.434 1.00 0.00 N ATOM 138 CA LYS A 11 -9.575 2.303 1.097 1.00 0.00 C ATOM 139 C LYS A 11 -8.436 1.522 0.465 1.00 0.00 C ATOM 140 O LYS A 11 -8.558 1.066 -0.675 1.00 0.00 O ATOM 141 CB LYS A 11 -10.872 1.515 0.908 1.00 0.00 C ATOM 142 CG LYS A 11 -12.039 2.226 1.600 1.00 0.00 C ATOM 143 CD LYS A 11 -13.370 1.593 1.154 1.00 0.00 C ATOM 144 CE LYS A 11 -13.392 0.098 1.496 1.00 0.00 C ATOM 145 NZ LYS A 11 -13.513 -0.090 2.967 1.00 0.00 N ATOM 0 H LYS A 11 -10.275 3.594 -0.393 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.394 2.455 2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.085 1.404 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.757 0.511 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.934 2.150 2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.029 3.287 1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.202 2.097 1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.503 1.729 0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.227 -0.386 0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.481 -0.379 1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.612 -1.103 3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.662 0.281 3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.350 0.421 3.315 1.00 0.00 H new ATOM 159 N CYS A 12 -7.318 1.396 1.154 1.00 0.00 N ATOM 160 CA CYS A 12 -6.181 0.718 0.548 1.00 0.00 C ATOM 161 C CYS A 12 -5.343 -0.074 1.538 1.00 0.00 C ATOM 162 O CYS A 12 -5.452 0.090 2.760 1.00 0.00 O ATOM 163 CB CYS A 12 -5.312 1.717 -0.244 1.00 0.00 C ATOM 164 SG CYS A 12 -3.637 1.784 0.439 1.00 0.00 S ATOM 0 H CYS A 12 -7.170 1.740 2.103 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.596 -0.018 -0.141 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.272 1.421 -1.292 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.765 2.708 -0.210 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.923 2.629 -0.244 1.00 0.00 H new ATOM 170 N SER A 13 -4.463 -0.882 0.989 1.00 0.00 N ATOM 171 CA SER A 13 -3.504 -1.642 1.748 1.00 0.00 C ATOM 172 C SER A 13 -2.129 -1.406 1.153 1.00 0.00 C ATOM 173 O SER A 13 -2.005 -1.221 -0.057 1.00 0.00 O ATOM 174 CB SER A 13 -3.844 -3.137 1.692 1.00 0.00 C ATOM 175 OG SER A 13 -5.252 -3.316 1.884 1.00 0.00 O ATOM 0 H SER A 13 -4.396 -1.030 -0.018 1.00 0.00 H new ATOM 0 HA SER A 13 -3.525 -1.325 2.791 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.542 -3.553 0.731 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.290 -3.675 2.461 1.00 0.00 H new ATOM 0 HG SER A 13 -5.655 -3.653 1.057 1.00 0.00 H new ATOM 181 N HIS A 14 -1.104 -1.411 1.979 1.00 0.00 N ATOM 182 CA HIS A 14 0.237 -1.190 1.485 1.00 0.00 C ATOM 183 C HIS A 14 1.275 -1.959 2.274 1.00 0.00 C ATOM 184 O HIS A 14 1.100 -2.236 3.475 1.00 0.00 O ATOM 185 CB HIS A 14 0.574 0.316 1.421 1.00 0.00 C ATOM 186 CG HIS A 14 1.331 0.768 2.652 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.435 1.606 2.568 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.144 0.534 3.990 1.00 0.00 C ATOM 189 CE1 HIS A 14 2.865 1.834 3.821 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.116 1.204 4.725 1.00 0.00 N ATOM 0 H HIS A 14 -1.172 -1.564 2.985 1.00 0.00 H new ATOM 0 HA HIS A 14 0.266 -1.579 0.467 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.170 0.519 0.531 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.346 0.892 1.327 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.360 -0.078 4.410 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.715 2.453 4.066 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.231 1.212 5.738 1.00 0.00 H new ATOM 198 N ILE A 15 2.342 -2.287 1.596 1.00 0.00 N ATOM 199 CA ILE A 15 3.458 -2.985 2.176 1.00 0.00 C ATOM 200 C ILE A 15 4.696 -2.126 1.979 1.00 0.00 C ATOM 201 O ILE A 15 4.973 -1.691 0.862 1.00 0.00 O ATOM 202 CB ILE A 15 3.601 -4.347 1.470 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.336 -5.178 1.731 1.00 0.00 C ATOM 204 CG2 ILE A 15 4.828 -5.105 1.992 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.284 -6.363 0.772 1.00 0.00 C ATOM 0 H ILE A 15 2.462 -2.072 0.606 1.00 0.00 H new ATOM 0 HA ILE A 15 3.316 -3.164 3.242 1.00 0.00 H new ATOM 0 HB ILE A 15 3.730 -4.180 0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.330 -5.533 2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.450 -4.557 1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.909 -6.064 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.726 -4.516 1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.722 -5.274 3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.384 -6.947 0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.268 -5.999 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.163 -6.991 0.921 1.00 0.00 H new ATOM 217 N LEU A 16 5.386 -1.813 3.063 1.00 0.00 N ATOM 218 CA LEU A 16 6.529 -0.912 3.001 1.00 0.00 C ATOM 219 C LEU A 16 7.808 -1.698 3.192 1.00 0.00 C ATOM 220 O LEU A 16 7.947 -2.421 4.175 1.00 0.00 O ATOM 221 CB LEU A 16 6.406 0.159 4.103 1.00 0.00 C ATOM 222 CG LEU A 16 7.312 1.372 3.796 1.00 0.00 C ATOM 223 CD1 LEU A 16 6.765 2.603 4.513 1.00 0.00 C ATOM 224 CD2 LEU A 16 8.751 1.119 4.262 1.00 0.00 C ATOM 0 H LEU A 16 5.177 -2.168 3.996 1.00 0.00 H new ATOM 0 HA LEU A 16 6.550 -0.423 2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.369 0.486 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.681 -0.271 5.066 1.00 0.00 H new ATOM 0 HG LEU A 16 7.319 1.531 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.402 3.462 4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.752 2.807 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.750 2.421 5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.366 1.989 4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.759 0.942 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.152 0.246 3.747 1.00 0.00 H new ATOM 236 N VAL A 17 8.747 -1.533 2.283 1.00 0.00 N ATOM 237 CA VAL A 17 10.027 -2.204 2.395 1.00 0.00 C ATOM 238 C VAL A 17 11.172 -1.266 2.048 1.00 0.00 C ATOM 239 O VAL A 17 11.007 -0.298 1.300 1.00 0.00 O ATOM 240 CB VAL A 17 10.061 -3.440 1.495 1.00 0.00 C ATOM 241 CG1 VAL A 17 9.022 -4.459 1.981 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.727 -3.032 0.056 1.00 0.00 C ATOM 0 H VAL A 17 8.649 -0.940 1.459 1.00 0.00 H new ATOM 0 HA VAL A 17 10.152 -2.519 3.431 1.00 0.00 H new ATOM 0 HB VAL A 17 11.055 -3.885 1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.047 -5.339 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.251 -4.751 3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.029 -4.012 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.751 -3.912 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.732 -2.587 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.460 -2.306 -0.296 1.00 0.00 H new ATOM 252 N LYS A 18 12.325 -1.555 2.608 1.00 0.00 N ATOM 253 CA LYS A 18 13.521 -0.780 2.364 1.00 0.00 C ATOM 254 C LYS A 18 14.024 -0.917 0.923 1.00 0.00 C ATOM 255 O LYS A 18 14.536 0.046 0.348 1.00 0.00 O ATOM 256 CB LYS A 18 14.614 -1.122 3.378 1.00 0.00 C ATOM 257 CG LYS A 18 14.171 -0.636 4.777 1.00 0.00 C ATOM 258 CD LYS A 18 15.270 -0.917 5.822 1.00 0.00 C ATOM 259 CE LYS A 18 15.388 -2.422 6.127 1.00 0.00 C ATOM 260 NZ LYS A 18 14.038 -3.040 6.184 1.00 0.00 N ATOM 0 H LYS A 18 12.460 -2.337 3.248 1.00 0.00 H new ATOM 0 HA LYS A 18 13.255 0.268 2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.792 -2.197 3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.553 -0.647 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.956 0.432 4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.248 -1.139 5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.226 -0.543 5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.047 -0.375 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.988 -2.910 5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.904 -2.569 7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.103 -3.976 6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.402 -2.434 6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.663 -3.144 5.220 1.00 0.00 H new ATOM 274 N LYS A 19 13.959 -2.134 0.372 1.00 0.00 N ATOM 275 CA LYS A 19 14.480 -2.392 -0.986 1.00 0.00 C ATOM 276 C LYS A 19 13.371 -2.505 -2.031 1.00 0.00 C ATOM 277 O LYS A 19 12.315 -3.099 -1.786 1.00 0.00 O ATOM 278 CB LYS A 19 15.327 -3.671 -1.029 1.00 0.00 C ATOM 279 CG LYS A 19 16.652 -3.483 -0.281 1.00 0.00 C ATOM 280 CD LYS A 19 17.459 -4.795 -0.377 1.00 0.00 C ATOM 281 CE LYS A 19 18.868 -4.610 0.199 1.00 0.00 C ATOM 282 NZ LYS A 19 18.786 -4.193 1.619 1.00 0.00 N ATOM 0 H LYS A 19 13.557 -2.950 0.834 1.00 0.00 H new ATOM 0 HA LYS A 19 15.100 -1.529 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.769 -4.495 -0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.527 -3.944 -2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.218 -2.658 -0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.465 -3.229 0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 19 16.941 -5.587 0.164 1.00 0.00 H new ATOM 0 HD3 LYS A 19 17.525 -5.111 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.428 -5.541 0.117 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.410 -3.860 -0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.730 -4.250 2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.438 -3.214 1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.132 -4.822 2.128 1.00 0.00 H new ATOM 296 N GLN A 20 13.691 -2.102 -3.250 1.00 0.00 N ATOM 297 CA GLN A 20 12.789 -2.290 -4.374 1.00 0.00 C ATOM 298 C GLN A 20 12.565 -3.776 -4.582 1.00 0.00 C ATOM 299 O GLN A 20 11.451 -4.219 -4.825 1.00 0.00 O ATOM 300 CB GLN A 20 13.388 -1.682 -5.649 1.00 0.00 C ATOM 301 CG GLN A 20 13.463 -0.160 -5.515 1.00 0.00 C ATOM 302 CD GLN A 20 14.110 0.457 -6.754 1.00 0.00 C ATOM 303 OE1 GLN A 20 14.308 -0.227 -7.765 1.00 0.00 O ATOM 304 NE2 GLN A 20 14.463 1.703 -6.734 1.00 0.00 N ATOM 0 H GLN A 20 14.570 -1.642 -3.486 1.00 0.00 H new ATOM 0 HA GLN A 20 11.843 -1.793 -4.161 1.00 0.00 H new ATOM 0 HB2 GLN A 20 14.384 -2.090 -5.824 1.00 0.00 H new ATOM 0 HB3 GLN A 20 12.778 -1.950 -6.512 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.462 0.248 -5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 20 14.038 0.105 -4.628 1.00 0.00 H new ATOM 0 HE21 GLN A 20 14.299 2.266 -5.899 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.905 2.121 -7.553 1.00 0.00 H new ATOM 313 N GLY A 21 13.633 -4.549 -4.434 1.00 0.00 N ATOM 314 CA GLY A 21 13.553 -5.995 -4.597 1.00 0.00 C ATOM 315 C GLY A 21 12.558 -6.578 -3.623 1.00 0.00 C ATOM 316 O GLY A 21 11.779 -7.466 -3.973 1.00 0.00 O ATOM 0 H GLY A 21 14.563 -4.200 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.257 -6.237 -5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.534 -6.441 -4.435 1.00 0.00 H new ATOM 320 N GLU A 22 12.539 -6.034 -2.418 1.00 0.00 N ATOM 321 CA GLU A 22 11.591 -6.462 -1.418 1.00 0.00 C ATOM 322 C GLU A 22 10.185 -6.102 -1.877 1.00 0.00 C ATOM 323 O GLU A 22 9.262 -6.926 -1.805 1.00 0.00 O ATOM 324 CB GLU A 22 11.916 -5.787 -0.084 1.00 0.00 C ATOM 325 CG GLU A 22 13.255 -6.329 0.452 1.00 0.00 C ATOM 326 CD GLU A 22 13.684 -5.576 1.698 1.00 0.00 C ATOM 327 OE1 GLU A 22 13.541 -4.372 1.729 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.161 -6.209 2.609 1.00 0.00 O ATOM 0 H GLU A 22 13.172 -5.295 -2.114 1.00 0.00 H new ATOM 0 HA GLU A 22 11.651 -7.542 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.975 -4.707 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.120 -5.977 0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.157 -7.391 0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.023 -6.237 -0.316 1.00 0.00 H new ATOM 335 N ALA A 23 10.046 -4.900 -2.438 1.00 0.00 N ATOM 336 CA ALA A 23 8.764 -4.474 -2.995 1.00 0.00 C ATOM 337 C ALA A 23 8.365 -5.397 -4.140 1.00 0.00 C ATOM 338 O ALA A 23 7.237 -5.878 -4.203 1.00 0.00 O ATOM 339 CB ALA A 23 8.839 -3.024 -3.490 1.00 0.00 C ATOM 0 H ALA A 23 10.796 -4.213 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 23 8.011 -4.528 -2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.873 -2.729 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.095 -2.368 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.602 -2.943 -4.264 1.00 0.00 H new ATOM 345 N LEU A 24 9.325 -5.736 -4.972 1.00 0.00 N ATOM 346 CA LEU A 24 9.088 -6.696 -6.035 1.00 0.00 C ATOM 347 C LEU A 24 8.716 -8.043 -5.438 1.00 0.00 C ATOM 348 O LEU A 24 7.810 -8.708 -5.905 1.00 0.00 O ATOM 349 CB LEU A 24 10.327 -6.839 -6.942 1.00 0.00 C ATOM 350 CG LEU A 24 10.337 -5.763 -8.057 1.00 0.00 C ATOM 351 CD1 LEU A 24 9.333 -6.128 -9.151 1.00 0.00 C ATOM 352 CD2 LEU A 24 10.001 -4.375 -7.503 1.00 0.00 C ATOM 0 H LEU A 24 10.274 -5.365 -4.936 1.00 0.00 H new ATOM 0 HA LEU A 24 8.263 -6.333 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.232 -6.751 -6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.338 -7.832 -7.392 1.00 0.00 H new ATOM 0 HG LEU A 24 11.344 -5.732 -8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.349 -5.365 -9.929 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.600 -7.092 -9.583 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.333 -6.188 -8.722 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.017 -3.646 -8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.009 -4.394 -7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.737 -4.096 -6.749 1.00 0.00 H new ATOM 364 N ALA A 25 9.401 -8.419 -4.370 1.00 0.00 N ATOM 365 CA ALA A 25 9.139 -9.700 -3.728 1.00 0.00 C ATOM 366 C ALA A 25 7.674 -9.825 -3.357 1.00 0.00 C ATOM 367 O ALA A 25 7.026 -10.821 -3.699 1.00 0.00 O ATOM 368 CB ALA A 25 10.012 -9.876 -2.478 1.00 0.00 C ATOM 0 H ALA A 25 10.136 -7.863 -3.932 1.00 0.00 H new ATOM 0 HA ALA A 25 9.389 -10.486 -4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.797 -10.840 -2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.064 -9.835 -2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.795 -9.078 -1.768 1.00 0.00 H new ATOM 374 N VAL A 26 7.128 -8.812 -2.699 1.00 0.00 N ATOM 375 CA VAL A 26 5.715 -8.850 -2.345 1.00 0.00 C ATOM 376 C VAL A 26 4.829 -8.804 -3.595 1.00 0.00 C ATOM 377 O VAL A 26 3.856 -9.548 -3.703 1.00 0.00 O ATOM 378 CB VAL A 26 5.341 -7.732 -1.350 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.226 -7.826 -0.111 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.554 -6.361 -1.991 1.00 0.00 C ATOM 0 H VAL A 26 7.627 -7.972 -2.405 1.00 0.00 H new ATOM 0 HA VAL A 26 5.533 -9.800 -1.842 1.00 0.00 H new ATOM 0 HB VAL A 26 4.293 -7.853 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.958 -7.034 0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.082 -8.796 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.271 -7.715 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.286 -5.581 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.601 -6.250 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.927 -6.273 -2.878 1.00 0.00 H new ATOM 390 N GLN A 27 5.193 -7.948 -4.544 1.00 0.00 N ATOM 391 CA GLN A 27 4.425 -7.814 -5.778 1.00 0.00 C ATOM 392 C GLN A 27 4.422 -9.128 -6.532 1.00 0.00 C ATOM 393 O GLN A 27 3.381 -9.574 -7.025 1.00 0.00 O ATOM 394 CB GLN A 27 5.045 -6.725 -6.652 1.00 0.00 C ATOM 395 CG GLN A 27 4.868 -5.374 -5.970 1.00 0.00 C ATOM 396 CD GLN A 27 5.630 -4.298 -6.719 1.00 0.00 C ATOM 397 OE1 GLN A 27 6.678 -4.567 -7.305 1.00 0.00 O ATOM 398 NE2 GLN A 27 5.171 -3.101 -6.744 1.00 0.00 N ATOM 0 H GLN A 27 6.010 -7.340 -4.484 1.00 0.00 H new ATOM 0 HA GLN A 27 3.399 -7.542 -5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.104 -6.929 -6.812 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.570 -6.715 -7.633 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.810 -5.117 -5.929 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.223 -5.430 -4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.302 -2.878 -6.258 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.675 -2.372 -7.250 1.00 0.00 H new ATOM 407 N GLU A 28 5.578 -9.751 -6.609 1.00 0.00 N ATOM 408 CA GLU A 28 5.717 -11.028 -7.272 1.00 0.00 C ATOM 409 C GLU A 28 4.995 -12.109 -6.480 1.00 0.00 C ATOM 410 O GLU A 28 4.328 -12.971 -7.049 1.00 0.00 O ATOM 411 CB GLU A 28 7.199 -11.393 -7.371 1.00 0.00 C ATOM 412 CG GLU A 28 7.920 -10.436 -8.321 1.00 0.00 C ATOM 413 CD GLU A 28 9.393 -10.774 -8.341 1.00 0.00 C ATOM 414 OE1 GLU A 28 10.113 -10.269 -7.508 1.00 0.00 O ATOM 415 OE2 GLU A 28 9.784 -11.559 -9.180 1.00 0.00 O ATOM 0 H GLU A 28 6.445 -9.387 -6.215 1.00 0.00 H new ATOM 0 HA GLU A 28 5.282 -10.957 -8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.658 -11.350 -6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.305 -12.418 -7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.502 -10.517 -9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.775 -9.405 -7.998 1.00 0.00 H new ATOM 422 N ARG A 29 5.188 -12.098 -5.167 1.00 0.00 N ATOM 423 CA ARG A 29 4.610 -13.125 -4.316 1.00 0.00 C ATOM 424 C ARG A 29 3.082 -13.037 -4.289 1.00 0.00 C ATOM 425 O ARG A 29 2.390 -14.057 -4.312 1.00 0.00 O ATOM 426 CB ARG A 29 5.191 -13.100 -2.898 1.00 0.00 C ATOM 427 CG ARG A 29 4.622 -14.295 -2.131 1.00 0.00 C ATOM 428 CD ARG A 29 5.211 -14.368 -0.724 1.00 0.00 C ATOM 429 NE ARG A 29 4.786 -15.609 -0.099 1.00 0.00 N ATOM 430 CZ ARG A 29 5.592 -16.661 0.052 1.00 0.00 C ATOM 431 NH1 ARG A 29 6.863 -16.576 -0.255 1.00 0.00 N ATOM 432 NH2 ARG A 29 5.101 -17.776 0.502 1.00 0.00 N ATOM 0 H ARG A 29 5.736 -11.394 -4.673 1.00 0.00 H new ATOM 0 HA ARG A 29 4.882 -14.085 -4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.279 -13.152 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.932 -12.167 -2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.537 -14.211 -2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.842 -15.217 -2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.299 -14.322 -0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.879 -13.515 -0.132 1.00 0.00 H new ATOM 0 HE ARG A 29 3.827 -15.679 0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.244 -15.700 -0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.472 -17.386 -0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.110 -17.840 0.735 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.706 -18.588 0.622 1.00 0.00 H new ATOM 446 N LEU A 30 2.555 -11.818 -4.244 1.00 0.00 N ATOM 447 CA LEU A 30 1.103 -11.622 -4.175 1.00 0.00 C ATOM 448 C LEU A 30 0.436 -12.343 -5.327 1.00 0.00 C ATOM 449 O LEU A 30 -0.734 -12.729 -5.251 1.00 0.00 O ATOM 450 CB LEU A 30 0.731 -10.116 -4.216 1.00 0.00 C ATOM 451 CG LEU A 30 0.105 -9.662 -2.875 1.00 0.00 C ATOM 452 CD1 LEU A 30 -1.185 -10.448 -2.599 1.00 0.00 C ATOM 453 CD2 LEU A 30 1.093 -9.892 -1.733 1.00 0.00 C ATOM 0 H LEU A 30 3.101 -10.956 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 30 0.752 -12.031 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.622 -9.523 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.029 -9.933 -5.029 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.130 -8.600 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.616 -10.120 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.898 -10.270 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.958 -11.513 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.644 -9.570 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.339 -10.952 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.001 -9.318 -1.917 1.00 0.00 H new ATOM 465 N LYS A 31 1.188 -12.542 -6.382 1.00 0.00 N ATOM 466 CA LYS A 31 0.680 -13.216 -7.555 1.00 0.00 C ATOM 467 C LYS A 31 0.283 -14.643 -7.200 1.00 0.00 C ATOM 468 O LYS A 31 -0.671 -15.191 -7.756 1.00 0.00 O ATOM 469 CB LYS A 31 1.745 -13.252 -8.648 1.00 0.00 C ATOM 470 CG LYS A 31 2.292 -11.835 -8.908 1.00 0.00 C ATOM 471 CD LYS A 31 1.149 -10.861 -9.223 1.00 0.00 C ATOM 472 CE LYS A 31 1.699 -9.650 -9.996 1.00 0.00 C ATOM 473 NZ LYS A 31 2.955 -9.164 -9.356 1.00 0.00 N ATOM 0 H LYS A 31 2.161 -12.245 -6.453 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.191 -12.670 -7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.558 -13.914 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.321 -13.659 -9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.843 -11.487 -8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.996 -11.859 -9.740 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.382 -11.363 -9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.675 -10.530 -8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.893 -9.927 -11.032 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.957 -8.852 -10.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.066 -8.146 -9.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.909 -9.330 -8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.768 -9.677 -9.753 1.00 0.00 H new ATOM 487 N ALA A 32 1.011 -15.235 -6.248 1.00 0.00 N ATOM 488 CA ALA A 32 0.748 -16.601 -5.819 1.00 0.00 C ATOM 489 C ALA A 32 -0.606 -16.699 -5.137 1.00 0.00 C ATOM 490 O ALA A 32 -1.098 -17.799 -4.860 1.00 0.00 O ATOM 491 CB ALA A 32 1.852 -17.101 -4.886 1.00 0.00 C ATOM 0 H ALA A 32 1.787 -14.784 -5.763 1.00 0.00 H new ATOM 0 HA ALA A 32 0.735 -17.235 -6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.633 -18.124 -4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.809 -17.076 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.902 -16.461 -4.005 1.00 0.00 H new ATOM 497 N GLY A 33 -1.225 -15.553 -4.900 1.00 0.00 N ATOM 498 CA GLY A 33 -2.550 -15.516 -4.303 1.00 0.00 C ATOM 499 C GLY A 33 -2.489 -15.581 -2.782 1.00 0.00 C ATOM 500 O GLY A 33 -3.466 -15.987 -2.139 1.00 0.00 O ATOM 0 H GLY A 33 -0.831 -14.636 -5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.060 -14.602 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.141 -16.351 -4.679 1.00 0.00 H new ATOM 504 N GLU A 34 -1.372 -15.137 -2.201 1.00 0.00 N ATOM 505 CA GLU A 34 -1.265 -15.088 -0.750 1.00 0.00 C ATOM 506 C GLU A 34 -1.938 -13.836 -0.208 1.00 0.00 C ATOM 507 O GLU A 34 -2.123 -12.854 -0.932 1.00 0.00 O ATOM 508 CB GLU A 34 0.186 -15.181 -0.249 1.00 0.00 C ATOM 509 CG GLU A 34 0.753 -16.584 -0.528 1.00 0.00 C ATOM 510 CD GLU A 34 2.080 -16.791 0.204 1.00 0.00 C ATOM 511 OE1 GLU A 34 2.552 -15.868 0.850 1.00 0.00 O ATOM 512 OE2 GLU A 34 2.606 -17.879 0.135 1.00 0.00 O ATOM 0 H GLU A 34 -0.547 -14.813 -2.705 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.782 -15.969 -0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.799 -14.428 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.224 -14.971 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.036 -17.341 -0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.900 -16.715 -1.600 1.00 0.00 H new ATOM 519 N LYS A 35 -2.323 -13.887 1.053 1.00 0.00 N ATOM 520 CA LYS A 35 -3.011 -12.780 1.689 1.00 0.00 C ATOM 521 C LYS A 35 -2.100 -11.548 1.699 1.00 0.00 C ATOM 522 O LYS A 35 -0.937 -11.617 2.123 1.00 0.00 O ATOM 523 CB LYS A 35 -3.389 -13.187 3.130 1.00 0.00 C ATOM 524 CG LYS A 35 -4.285 -12.127 3.788 1.00 0.00 C ATOM 525 CD LYS A 35 -4.723 -12.631 5.175 1.00 0.00 C ATOM 526 CE LYS A 35 -5.632 -11.595 5.842 1.00 0.00 C ATOM 527 NZ LYS A 35 -4.827 -10.395 6.169 1.00 0.00 N ATOM 0 H LYS A 35 -2.169 -14.691 1.662 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.918 -12.535 1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.906 -14.147 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.484 -13.321 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.746 -11.185 3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.158 -11.933 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.249 -13.580 5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.848 -12.815 5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.453 -11.329 5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.077 -12.010 6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.314 -9.839 6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.893 -10.689 6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.708 -9.814 5.315 1.00 0.00 H new ATOM 541 N PHE A 36 -2.638 -10.418 1.283 1.00 0.00 N ATOM 542 CA PHE A 36 -1.869 -9.184 1.250 1.00 0.00 C ATOM 543 C PHE A 36 -1.352 -8.935 2.655 1.00 0.00 C ATOM 544 O PHE A 36 -0.173 -8.659 2.871 1.00 0.00 O ATOM 545 CB PHE A 36 -2.770 -8.020 0.800 1.00 0.00 C ATOM 546 CG PHE A 36 -1.948 -6.768 0.563 1.00 0.00 C ATOM 547 CD1 PHE A 36 -1.328 -6.568 -0.676 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.812 -5.806 1.580 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.578 -5.410 -0.905 1.00 0.00 C ATOM 550 CE2 PHE A 36 -1.058 -4.647 1.347 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.442 -4.450 0.104 1.00 0.00 C ATOM 0 H PHE A 36 -3.602 -10.326 0.963 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.040 -9.261 0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.297 -8.294 -0.114 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.528 -7.825 1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.429 -7.309 -1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.287 -5.960 2.538 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.103 -5.256 -1.863 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.952 -3.906 2.126 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.138 -3.557 -0.075 1.00 0.00 H new ATOM 561 N GLY A 37 -2.233 -9.147 3.615 1.00 0.00 N ATOM 562 CA GLY A 37 -1.892 -9.033 5.015 1.00 0.00 C ATOM 563 C GLY A 37 -0.785 -9.981 5.398 1.00 0.00 C ATOM 564 O GLY A 37 0.109 -9.612 6.144 1.00 0.00 O ATOM 0 H GLY A 37 -3.205 -9.403 3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.586 -8.010 5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.774 -9.239 5.622 1.00 0.00 H new ATOM 568 N LYS A 38 -0.784 -11.169 4.821 1.00 0.00 N ATOM 569 CA LYS A 38 0.301 -12.096 5.085 1.00 0.00 C ATOM 570 C LYS A 38 1.607 -11.450 4.691 1.00 0.00 C ATOM 571 O LYS A 38 2.543 -11.372 5.491 1.00 0.00 O ATOM 572 CB LYS A 38 0.095 -13.401 4.304 1.00 0.00 C ATOM 573 CG LYS A 38 1.287 -14.333 4.521 1.00 0.00 C ATOM 574 CD LYS A 38 1.079 -15.619 3.717 1.00 0.00 C ATOM 575 CE LYS A 38 2.302 -16.526 3.879 1.00 0.00 C ATOM 576 NZ LYS A 38 3.442 -15.928 3.133 1.00 0.00 N ATOM 0 H LYS A 38 -1.503 -11.509 4.182 1.00 0.00 H new ATOM 0 HA LYS A 38 0.320 -12.338 6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.823 -13.889 4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.020 -13.185 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.209 -13.841 4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.392 -14.566 5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.182 -16.135 4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.926 -15.382 2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.556 -16.634 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.085 -17.525 3.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.329 -16.381 3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.305 -16.077 2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.490 -14.908 3.331 1.00 0.00 H new ATOM 590 N LEU A 39 1.627 -10.883 3.508 1.00 0.00 N ATOM 591 CA LEU A 39 2.788 -10.158 3.049 1.00 0.00 C ATOM 592 C LEU A 39 3.061 -8.942 3.923 1.00 0.00 C ATOM 593 O LEU A 39 4.208 -8.635 4.215 1.00 0.00 O ATOM 594 CB LEU A 39 2.665 -9.766 1.571 1.00 0.00 C ATOM 595 CG LEU A 39 3.086 -10.950 0.671 1.00 0.00 C ATOM 596 CD1 LEU A 39 4.547 -11.306 0.935 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.201 -12.177 0.936 1.00 0.00 C ATOM 0 H LEU A 39 0.852 -10.910 2.845 1.00 0.00 H new ATOM 0 HA LEU A 39 3.643 -10.828 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.638 -9.476 1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.293 -8.900 1.363 1.00 0.00 H new ATOM 0 HG LEU A 39 2.964 -10.651 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.839 -12.141 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.177 -10.444 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.670 -11.587 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.515 -12.998 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.298 -12.477 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.161 -11.928 0.725 1.00 0.00 H new ATOM 609 N ALA A 40 2.011 -8.236 4.334 1.00 0.00 N ATOM 610 CA ALA A 40 2.196 -7.057 5.176 1.00 0.00 C ATOM 611 C ALA A 40 2.794 -7.445 6.527 1.00 0.00 C ATOM 612 O ALA A 40 3.732 -6.808 7.012 1.00 0.00 O ATOM 613 CB ALA A 40 0.874 -6.333 5.381 1.00 0.00 C ATOM 0 H ALA A 40 1.041 -8.453 4.104 1.00 0.00 H new ATOM 0 HA ALA A 40 2.889 -6.386 4.668 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.032 -5.458 6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.478 -6.018 4.415 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.163 -7.003 5.864 1.00 0.00 H new ATOM 619 N LYS A 41 2.281 -8.521 7.094 1.00 0.00 N ATOM 620 CA LYS A 41 2.777 -9.070 8.348 1.00 0.00 C ATOM 621 C LYS A 41 4.207 -9.548 8.168 1.00 0.00 C ATOM 622 O LYS A 41 5.021 -9.487 9.094 1.00 0.00 O ATOM 623 CB LYS A 41 1.903 -10.260 8.755 1.00 0.00 C ATOM 624 CG LYS A 41 0.489 -9.800 9.165 1.00 0.00 C ATOM 625 CD LYS A 41 0.507 -9.242 10.598 1.00 0.00 C ATOM 626 CE LYS A 41 -0.932 -9.190 11.141 1.00 0.00 C ATOM 627 NZ LYS A 41 -1.639 -8.007 10.586 1.00 0.00 N ATOM 0 H LYS A 41 1.502 -9.045 6.696 1.00 0.00 H new ATOM 0 HA LYS A 41 2.744 -8.299 9.118 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.833 -10.964 7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.370 -10.791 9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.132 -9.036 8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.206 -10.637 9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.127 -9.870 11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.948 -8.245 10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.465 -10.102 10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.918 -9.138 12.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.171 -7.534 11.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.945 -7.345 10.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.296 -8.314 9.841 1.00 0.00 H new ATOM 641 N GLU A 42 4.447 -10.178 7.035 1.00 0.00 N ATOM 642 CA GLU A 42 5.728 -10.781 6.734 1.00 0.00 C ATOM 643 C GLU A 42 6.790 -9.769 6.307 1.00 0.00 C ATOM 644 O GLU A 42 7.885 -9.736 6.873 1.00 0.00 O ATOM 645 CB GLU A 42 5.535 -11.861 5.666 1.00 0.00 C ATOM 646 CG GLU A 42 4.867 -13.076 6.318 1.00 0.00 C ATOM 647 CD GLU A 42 4.524 -14.148 5.300 1.00 0.00 C ATOM 648 OE1 GLU A 42 4.570 -13.883 4.113 1.00 0.00 O ATOM 649 OE2 GLU A 42 4.187 -15.223 5.728 1.00 0.00 O ATOM 0 H GLU A 42 3.754 -10.286 6.294 1.00 0.00 H new ATOM 0 HA GLU A 42 6.106 -11.228 7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.918 -11.482 4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.495 -12.143 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.532 -13.493 7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.959 -12.759 6.831 1.00 0.00 H new ATOM 656 N LEU A 43 6.516 -9.056 5.230 1.00 0.00 N ATOM 657 CA LEU A 43 7.490 -8.171 4.603 1.00 0.00 C ATOM 658 C LEU A 43 7.474 -6.728 5.097 1.00 0.00 C ATOM 659 O LEU A 43 8.529 -6.120 5.257 1.00 0.00 O ATOM 660 CB LEU A 43 7.320 -8.211 3.091 1.00 0.00 C ATOM 661 CG LEU A 43 8.470 -9.017 2.484 1.00 0.00 C ATOM 662 CD1 LEU A 43 7.943 -9.959 1.412 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.451 -8.038 1.862 1.00 0.00 C ATOM 0 H LEU A 43 5.610 -9.072 4.761 1.00 0.00 H new ATOM 0 HA LEU A 43 8.466 -8.557 4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.364 -8.665 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.314 -7.199 2.686 1.00 0.00 H new ATOM 0 HG LEU A 43 8.957 -9.612 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.771 -10.527 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.221 -10.646 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.459 -9.380 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.283 -8.587 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.947 -7.460 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.829 -7.363 2.630 1.00 0.00 H new ATOM 675 N SER A 44 6.306 -6.132 5.138 1.00 0.00 N ATOM 676 CA SER A 44 6.219 -4.692 5.371 1.00 0.00 C ATOM 677 C SER A 44 6.910 -4.281 6.677 1.00 0.00 C ATOM 678 O SER A 44 6.732 -4.917 7.713 1.00 0.00 O ATOM 679 CB SER A 44 4.762 -4.252 5.392 1.00 0.00 C ATOM 680 OG SER A 44 4.679 -2.840 5.181 1.00 0.00 O ATOM 0 H SER A 44 5.410 -6.604 5.016 1.00 0.00 H new ATOM 0 HA SER A 44 6.738 -4.195 4.552 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.203 -4.778 4.618 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.307 -4.513 6.348 1.00 0.00 H new ATOM 0 HG SER A 44 5.548 -2.429 5.372 1.00 0.00 H new ATOM 686 N ILE A 45 7.637 -3.175 6.640 1.00 0.00 N ATOM 687 CA ILE A 45 8.287 -2.657 7.833 1.00 0.00 C ATOM 688 C ILE A 45 7.389 -1.646 8.523 1.00 0.00 C ATOM 689 O ILE A 45 7.689 -1.184 9.622 1.00 0.00 O ATOM 690 CB ILE A 45 9.666 -2.062 7.505 1.00 0.00 C ATOM 691 CG1 ILE A 45 9.524 -0.884 6.536 1.00 0.00 C ATOM 692 CG2 ILE A 45 10.540 -3.143 6.863 1.00 0.00 C ATOM 693 CD1 ILE A 45 10.890 -0.217 6.322 1.00 0.00 C ATOM 0 H ILE A 45 7.791 -2.620 5.798 1.00 0.00 H new ATOM 0 HA ILE A 45 8.455 -3.485 8.522 1.00 0.00 H new ATOM 0 HB ILE A 45 10.126 -1.706 8.427 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.126 -1.232 5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.813 -0.159 6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.520 -2.727 6.628 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.656 -3.976 7.556 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.067 -3.497 5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.782 0.620 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.271 0.146 7.276 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.588 -0.943 5.905 1.00 0.00 H new ATOM 705 N ASP A 46 6.231 -1.395 7.920 1.00 0.00 N ATOM 706 CA ASP A 46 5.223 -0.537 8.524 1.00 0.00 C ATOM 707 C ASP A 46 4.469 -1.349 9.547 1.00 0.00 C ATOM 708 O ASP A 46 3.600 -2.150 9.192 1.00 0.00 O ATOM 709 CB ASP A 46 4.242 -0.032 7.448 1.00 0.00 C ATOM 710 CG ASP A 46 3.200 0.912 8.038 1.00 0.00 C ATOM 711 OD1 ASP A 46 3.045 0.947 9.239 1.00 0.00 O ATOM 712 OD2 ASP A 46 2.548 1.582 7.267 1.00 0.00 O ATOM 0 H ASP A 46 5.969 -1.776 7.011 1.00 0.00 H new ATOM 0 HA ASP A 46 5.700 0.324 8.992 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.796 0.482 6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.742 -0.882 6.983 1.00 0.00 H new ATOM 717 N GLY A 47 4.876 -1.229 10.798 1.00 0.00 N ATOM 718 CA GLY A 47 4.323 -2.054 11.859 1.00 0.00 C ATOM 719 C GLY A 47 2.831 -1.837 12.022 1.00 0.00 C ATOM 720 O GLY A 47 2.046 -2.784 11.913 1.00 0.00 O ATOM 0 H GLY A 47 5.589 -0.567 11.105 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.516 -3.104 11.641 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.828 -1.826 12.798 1.00 0.00 H new ATOM 724 N GLY A 48 2.425 -0.591 12.189 1.00 0.00 N ATOM 725 CA GLY A 48 1.014 -0.293 12.370 1.00 0.00 C ATOM 726 C GLY A 48 0.206 -0.850 11.231 1.00 0.00 C ATOM 727 O GLY A 48 -0.788 -1.541 11.440 1.00 0.00 O ATOM 0 H GLY A 48 3.042 0.221 12.203 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.665 -0.716 13.312 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.869 0.786 12.432 1.00 0.00 H new ATOM 731 N SER A 49 0.683 -0.651 10.032 1.00 0.00 N ATOM 732 CA SER A 49 0.042 -1.240 8.888 1.00 0.00 C ATOM 733 C SER A 49 0.238 -2.749 8.855 1.00 0.00 C ATOM 734 O SER A 49 -0.678 -3.481 8.507 1.00 0.00 O ATOM 735 CB SER A 49 0.478 -0.557 7.609 1.00 0.00 C ATOM 736 OG SER A 49 0.266 0.852 7.774 1.00 0.00 O ATOM 0 H SER A 49 1.508 -0.089 9.823 1.00 0.00 H new ATOM 0 HA SER A 49 -1.032 -1.077 8.976 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.528 -0.764 7.403 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.093 -0.933 6.760 1.00 0.00 H new ATOM 0 HG SER A 49 0.928 1.346 7.248 1.00 0.00 H new ATOM 742 N ALA A 50 1.374 -3.226 9.345 1.00 0.00 N ATOM 743 CA ALA A 50 1.589 -4.667 9.450 1.00 0.00 C ATOM 744 C ALA A 50 0.567 -5.265 10.406 1.00 0.00 C ATOM 745 O ALA A 50 -0.059 -6.289 10.106 1.00 0.00 O ATOM 746 CB ALA A 50 3.013 -4.979 9.914 1.00 0.00 C ATOM 0 H ALA A 50 2.150 -2.650 9.672 1.00 0.00 H new ATOM 0 HA ALA A 50 1.460 -5.114 8.464 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.145 -6.059 9.983 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.727 -4.572 9.198 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.184 -4.529 10.892 1.00 0.00 H new ATOM 752 N LYS A 51 0.275 -4.533 11.471 1.00 0.00 N ATOM 753 CA LYS A 51 -0.772 -4.925 12.402 1.00 0.00 C ATOM 754 C LYS A 51 -2.086 -4.981 11.649 1.00 0.00 C ATOM 755 O LYS A 51 -2.948 -5.817 11.925 1.00 0.00 O ATOM 756 CB LYS A 51 -0.903 -3.897 13.542 1.00 0.00 C ATOM 757 CG LYS A 51 0.388 -3.809 14.371 1.00 0.00 C ATOM 758 CD LYS A 51 0.672 -5.133 15.082 1.00 0.00 C ATOM 759 CE LYS A 51 1.954 -4.980 15.910 1.00 0.00 C ATOM 760 NZ LYS A 51 2.230 -6.235 16.641 1.00 0.00 N ATOM 0 H LYS A 51 0.750 -3.663 11.712 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.521 -5.896 12.830 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.137 -2.917 13.125 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.735 -4.174 14.190 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.225 -3.554 13.721 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.299 -3.009 15.106 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.164 -5.403 15.727 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.786 -5.936 14.354 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.792 -4.736 15.258 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.847 -4.154 16.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.100 -6.127 17.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.434 -6.449 17.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.350 -7.013 15.962 1.00 0.00 H new ATOM 774 N ARG A 52 -2.222 -4.088 10.689 1.00 0.00 N ATOM 775 CA ARG A 52 -3.439 -3.967 9.905 1.00 0.00 C ATOM 776 C ARG A 52 -3.327 -4.752 8.600 1.00 0.00 C ATOM 777 O ARG A 52 -4.033 -4.460 7.640 1.00 0.00 O ATOM 778 CB ARG A 52 -3.701 -2.494 9.568 1.00 0.00 C ATOM 779 CG ARG A 52 -3.927 -1.671 10.843 1.00 0.00 C ATOM 780 CD ARG A 52 -4.143 -0.205 10.447 1.00 0.00 C ATOM 781 NE ARG A 52 -2.916 0.346 9.862 1.00 0.00 N ATOM 782 CZ ARG A 52 -2.893 1.548 9.275 1.00 0.00 C ATOM 783 NH1 ARG A 52 -3.981 2.281 9.256 1.00 0.00 N ATOM 784 NH2 ARG A 52 -1.794 1.981 8.711 1.00 0.00 N ATOM 0 H ARG A 52 -1.492 -3.424 10.429 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.260 -4.370 10.498 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.855 -2.088 9.014 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.574 -2.415 8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.793 -2.047 11.388 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.068 -1.761 11.508 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.962 -0.131 9.731 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.431 0.377 11.322 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.057 -0.202 9.904 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.838 1.934 9.687 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.970 3.198 8.810 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.954 1.402 8.719 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.777 2.898 8.264 1.00 0.00 H new ATOM 798 N ASP A 53 -2.395 -5.701 8.548 1.00 0.00 N ATOM 799 CA ASP A 53 -2.188 -6.518 7.340 1.00 0.00 C ATOM 800 C ASP A 53 -1.829 -5.629 6.177 1.00 0.00 C ATOM 801 O ASP A 53 -2.256 -5.865 5.049 1.00 0.00 O ATOM 802 CB ASP A 53 -3.484 -7.254 6.971 1.00 0.00 C ATOM 803 CG ASP A 53 -3.845 -8.318 7.976 1.00 0.00 C ATOM 804 OD1 ASP A 53 -2.994 -8.718 8.732 1.00 0.00 O ATOM 805 OD2 ASP A 53 -4.998 -8.717 7.979 1.00 0.00 O ATOM 0 H ASP A 53 -1.770 -5.928 9.322 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.389 -7.230 7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.300 -6.534 6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.373 -7.710 5.987 1.00 0.00 H new ATOM 810 N GLY A 54 -1.185 -4.531 6.466 1.00 0.00 N ATOM 811 CA GLY A 54 -0.903 -3.543 5.450 1.00 0.00 C ATOM 812 C GLY A 54 -2.187 -2.848 5.046 1.00 0.00 C ATOM 813 O GLY A 54 -2.162 -1.848 4.334 1.00 0.00 O ATOM 0 H GLY A 54 -0.843 -4.294 7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.186 -2.814 5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.447 -4.019 4.582 1.00 0.00 H new ATOM 817 N SER A 55 -3.314 -3.352 5.544 1.00 0.00 N ATOM 818 CA SER A 55 -4.601 -2.769 5.242 1.00 0.00 C ATOM 819 C SER A 55 -4.748 -1.429 5.934 1.00 0.00 C ATOM 820 O SER A 55 -5.254 -1.336 7.057 1.00 0.00 O ATOM 821 CB SER A 55 -5.739 -3.717 5.647 1.00 0.00 C ATOM 822 OG SER A 55 -5.393 -5.070 5.303 1.00 0.00 O ATOM 0 H SER A 55 -3.352 -4.165 6.159 1.00 0.00 H new ATOM 0 HA SER A 55 -4.662 -2.611 4.165 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.924 -3.641 6.718 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.661 -3.429 5.143 1.00 0.00 H new ATOM 0 HG SER A 55 -6.122 -5.671 5.565 1.00 0.00 H new ATOM 828 N LEU A 56 -4.356 -0.386 5.235 1.00 0.00 N ATOM 829 CA LEU A 56 -4.479 0.954 5.732 1.00 0.00 C ATOM 830 C LEU A 56 -5.944 1.229 5.931 1.00 0.00 C ATOM 831 O LEU A 56 -6.336 1.958 6.835 1.00 0.00 O ATOM 832 CB LEU A 56 -3.905 1.959 4.712 1.00 0.00 C ATOM 833 CG LEU A 56 -2.390 1.730 4.519 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.853 2.675 3.442 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.639 1.985 5.825 1.00 0.00 C ATOM 0 H LEU A 56 -3.943 -0.451 4.305 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.928 1.061 6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.419 1.851 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.084 2.978 5.057 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.236 0.695 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.784 2.508 3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.368 2.484 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.024 3.708 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.573 1.819 5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.803 3.014 6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.004 1.304 6.594 1.00 0.00 H new ATOM 847 N GLY A 57 -6.740 0.716 5.005 1.00 0.00 N ATOM 848 CA GLY A 57 -8.156 0.970 4.992 1.00 0.00 C ATOM 849 C GLY A 57 -8.393 2.351 4.456 1.00 0.00 C ATOM 850 O GLY A 57 -7.797 2.723 3.452 1.00 0.00 O ATOM 0 H GLY A 57 -6.415 0.115 4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.666 0.232 4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.565 0.880 5.998 1.00 0.00 H new ATOM 854 N TYR A 58 -9.231 3.121 5.126 1.00 0.00 N ATOM 855 CA TYR A 58 -9.547 4.463 4.664 1.00 0.00 C ATOM 856 C TYR A 58 -8.494 5.430 5.139 1.00 0.00 C ATOM 857 O TYR A 58 -8.225 5.519 6.343 1.00 0.00 O ATOM 858 CB TYR A 58 -10.867 4.952 5.271 1.00 0.00 C ATOM 859 CG TYR A 58 -12.002 4.040 4.914 1.00 0.00 C ATOM 860 CD1 TYR A 58 -12.167 2.845 5.610 1.00 0.00 C ATOM 861 CD2 TYR A 58 -12.887 4.381 3.895 1.00 0.00 C ATOM 862 CE1 TYR A 58 -13.208 1.993 5.295 1.00 0.00 C ATOM 863 CE2 TYR A 58 -13.935 3.521 3.581 1.00 0.00 C ATOM 864 CZ TYR A 58 -14.092 2.328 4.282 1.00 0.00 C ATOM 865 OH TYR A 58 -15.120 1.476 3.967 1.00 0.00 O ATOM 0 H TYR A 58 -9.703 2.844 5.987 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.605 4.423 3.576 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.772 5.010 6.355 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -11.082 5.960 4.916 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.478 2.583 6.399 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -12.761 5.306 3.352 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.333 1.067 5.837 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -14.627 3.779 2.793 1.00 0.00 H new ATOM 0 HH TYR A 58 -15.649 1.858 3.236 1.00 0.00 H new ATOM 875 N PHE A 59 -8.070 6.291 4.250 1.00 0.00 N ATOM 876 CA PHE A 59 -7.243 7.422 4.628 1.00 0.00 C ATOM 877 C PHE A 59 -7.597 8.618 3.782 1.00 0.00 C ATOM 878 O PHE A 59 -8.112 8.463 2.674 1.00 0.00 O ATOM 879 CB PHE A 59 -5.749 7.098 4.541 1.00 0.00 C ATOM 880 CG PHE A 59 -5.380 6.656 3.149 1.00 0.00 C ATOM 881 CD1 PHE A 59 -5.055 7.608 2.173 1.00 0.00 C ATOM 882 CD2 PHE A 59 -5.341 5.291 2.837 1.00 0.00 C ATOM 883 CE1 PHE A 59 -4.695 7.194 0.890 1.00 0.00 C ATOM 884 CE2 PHE A 59 -4.986 4.879 1.555 1.00 0.00 C ATOM 885 CZ PHE A 59 -4.661 5.828 0.580 1.00 0.00 C ATOM 0 H PHE A 59 -8.282 6.235 3.254 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.446 7.657 5.673 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.165 7.976 4.816 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.500 6.313 5.255 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.083 8.660 2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.586 4.558 3.591 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.443 7.926 0.137 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.962 3.827 1.313 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.383 5.507 -0.413 1.00 0.00 H new ATOM 895 N GLY A 60 -7.445 9.801 4.350 1.00 0.00 N ATOM 896 CA GLY A 60 -7.861 11.023 3.677 1.00 0.00 C ATOM 897 C GLY A 60 -6.840 11.477 2.647 1.00 0.00 C ATOM 898 O GLY A 60 -5.757 10.908 2.526 1.00 0.00 O ATOM 0 H GLY A 60 -7.037 9.944 5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.822 10.860 3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.008 11.812 4.415 1.00 0.00 H new ATOM 902 N ARG A 61 -7.193 12.516 1.923 1.00 0.00 N ATOM 903 CA ARG A 61 -6.356 13.074 0.884 1.00 0.00 C ATOM 904 C ARG A 61 -5.213 13.847 1.515 1.00 0.00 C ATOM 905 O ARG A 61 -5.397 14.523 2.536 1.00 0.00 O ATOM 906 CB ARG A 61 -7.188 14.053 0.068 1.00 0.00 C ATOM 907 CG ARG A 61 -8.362 13.337 -0.615 1.00 0.00 C ATOM 908 CD ARG A 61 -9.273 14.403 -1.213 1.00 0.00 C ATOM 909 NE ARG A 61 -9.816 15.203 -0.114 1.00 0.00 N ATOM 910 CZ ARG A 61 -9.813 16.535 -0.118 1.00 0.00 C ATOM 911 NH1 ARG A 61 -9.450 17.186 -1.185 1.00 0.00 N ATOM 912 NH2 ARG A 61 -10.177 17.184 0.952 1.00 0.00 N ATOM 0 H ARG A 61 -8.081 13.004 2.041 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.967 12.271 0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.566 14.843 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.561 14.531 -0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.999 12.665 -1.392 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.908 12.727 0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.717 15.035 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.079 13.940 -1.782 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.214 14.719 0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.167 16.676 -2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.449 18.206 -1.184 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.462 16.672 1.787 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.177 18.204 0.955 1.00 0.00 H new ATOM 926 N GLY A 62 -4.067 13.815 0.876 1.00 0.00 N ATOM 927 CA GLY A 62 -2.932 14.580 1.334 1.00 0.00 C ATOM 928 C GLY A 62 -2.487 14.124 2.709 1.00 0.00 C ATOM 929 O GLY A 62 -2.547 14.897 3.685 1.00 0.00 O ATOM 0 H GLY A 62 -3.896 13.265 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.109 14.473 0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.191 15.638 1.364 1.00 0.00 H new ATOM 933 N LYS A 63 -2.113 12.862 2.802 1.00 0.00 N ATOM 934 CA LYS A 63 -1.690 12.266 4.067 1.00 0.00 C ATOM 935 C LYS A 63 -0.401 11.469 3.877 1.00 0.00 C ATOM 936 O LYS A 63 0.453 11.417 4.769 1.00 0.00 O ATOM 937 CB LYS A 63 -2.792 11.346 4.609 1.00 0.00 C ATOM 938 CG LYS A 63 -4.096 12.141 4.777 1.00 0.00 C ATOM 939 CD LYS A 63 -3.945 13.189 5.889 1.00 0.00 C ATOM 940 CE LYS A 63 -5.080 14.208 5.780 1.00 0.00 C ATOM 941 NZ LYS A 63 -4.754 15.194 4.718 1.00 0.00 N ATOM 0 H LYS A 63 -2.092 12.219 2.010 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.506 13.067 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.950 10.511 3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.487 10.923 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.353 12.632 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.915 11.462 5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.967 12.706 6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.981 13.691 5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.017 13.702 5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.220 14.717 6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.024 16.147 5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.733 15.170 4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.277 14.956 3.851 1.00 0.00 H new ATOM 955 N MET A 64 -0.277 10.835 2.730 1.00 0.00 N ATOM 956 CA MET A 64 0.874 10.007 2.413 1.00 0.00 C ATOM 957 C MET A 64 1.584 10.553 1.191 1.00 0.00 C ATOM 958 O MET A 64 1.045 11.403 0.488 1.00 0.00 O ATOM 959 CB MET A 64 0.431 8.559 2.198 1.00 0.00 C ATOM 960 CG MET A 64 -0.061 8.000 3.541 1.00 0.00 C ATOM 961 SD MET A 64 -0.590 6.291 3.335 1.00 0.00 S ATOM 962 CE MET A 64 -2.140 6.642 2.468 1.00 0.00 C ATOM 0 H MET A 64 -0.973 10.878 1.986 1.00 0.00 H new ATOM 0 HA MET A 64 1.576 10.026 3.247 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.364 8.512 1.453 1.00 0.00 H new ATOM 0 HB3 MET A 64 1.260 7.961 1.819 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.736 8.057 4.282 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.888 8.603 3.915 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.746 5.737 2.424 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.687 7.419 3.001 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.922 6.982 1.455 1.00 0.00 H new ATOM 972 N VAL A 65 2.838 10.184 1.018 1.00 0.00 N ATOM 973 CA VAL A 65 3.630 10.754 -0.052 1.00 0.00 C ATOM 974 C VAL A 65 2.856 10.691 -1.380 1.00 0.00 C ATOM 975 O VAL A 65 2.193 9.689 -1.683 1.00 0.00 O ATOM 976 CB VAL A 65 5.002 10.054 -0.143 1.00 0.00 C ATOM 977 CG1 VAL A 65 5.683 10.110 1.230 1.00 0.00 C ATOM 978 CG2 VAL A 65 4.840 8.586 -0.548 1.00 0.00 C ATOM 0 H VAL A 65 3.325 9.500 1.597 1.00 0.00 H new ATOM 0 HA VAL A 65 3.820 11.805 0.165 1.00 0.00 H new ATOM 0 HB VAL A 65 5.603 10.565 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.654 9.617 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.820 11.150 1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.060 9.602 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.821 8.114 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.231 8.069 0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.352 8.529 -1.521 1.00 0.00 H new ATOM 988 N LYS A 66 2.857 11.800 -2.100 1.00 0.00 N ATOM 989 CA LYS A 66 2.065 11.926 -3.314 1.00 0.00 C ATOM 990 C LYS A 66 2.166 10.685 -4.189 1.00 0.00 C ATOM 991 O LYS A 66 1.148 10.185 -4.661 1.00 0.00 O ATOM 992 CB LYS A 66 2.462 13.183 -4.106 1.00 0.00 C ATOM 993 CG LYS A 66 1.626 13.277 -5.407 1.00 0.00 C ATOM 994 CD LYS A 66 2.512 12.952 -6.629 1.00 0.00 C ATOM 995 CE LYS A 66 1.934 11.759 -7.415 1.00 0.00 C ATOM 996 NZ LYS A 66 0.487 11.988 -7.720 1.00 0.00 N ATOM 0 H LYS A 66 3.400 12.631 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 66 1.024 12.027 -3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.302 14.072 -3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.524 13.150 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.787 12.583 -5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.206 14.278 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.579 13.825 -7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.525 12.721 -6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.491 11.622 -8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.050 10.843 -6.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.219 11.441 -8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.091 11.682 -6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.326 13.000 -7.898 1.00 0.00 H new ATOM 1010 N PRO A 67 3.353 10.177 -4.431 1.00 0.00 N ATOM 1011 CA PRO A 67 3.483 8.946 -5.281 1.00 0.00 C ATOM 1012 C PRO A 67 2.690 7.774 -4.709 1.00 0.00 C ATOM 1013 O PRO A 67 2.038 7.024 -5.449 1.00 0.00 O ATOM 1014 CB PRO A 67 4.993 8.640 -5.249 1.00 0.00 C ATOM 1015 CG PRO A 67 5.498 9.360 -4.044 1.00 0.00 C ATOM 1016 CD PRO A 67 4.691 10.651 -4.002 1.00 0.00 C ATOM 0 HA PRO A 67 3.092 9.099 -6.287 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.179 7.568 -5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.487 8.989 -6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.350 8.771 -3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.566 9.562 -4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.670 11.090 -3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.093 11.408 -4.675 1.00 0.00 H new ATOM 1024 N PHE A 68 2.701 7.664 -3.389 1.00 0.00 N ATOM 1025 CA PHE A 68 1.944 6.631 -2.691 1.00 0.00 C ATOM 1026 C PHE A 68 0.467 6.821 -2.944 1.00 0.00 C ATOM 1027 O PHE A 68 -0.244 5.896 -3.358 1.00 0.00 O ATOM 1028 CB PHE A 68 2.207 6.718 -1.182 1.00 0.00 C ATOM 1029 CG PHE A 68 1.466 5.619 -0.478 1.00 0.00 C ATOM 1030 CD1 PHE A 68 0.146 5.817 -0.064 1.00 0.00 C ATOM 1031 CD2 PHE A 68 2.093 4.402 -0.251 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -0.540 4.788 0.579 1.00 0.00 C ATOM 1033 CE2 PHE A 68 1.409 3.381 0.390 1.00 0.00 C ATOM 1034 CZ PHE A 68 0.091 3.573 0.804 1.00 0.00 C ATOM 0 H PHE A 68 3.230 8.282 -2.774 1.00 0.00 H new ATOM 0 HA PHE A 68 2.259 5.655 -3.061 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.276 6.635 -0.983 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.886 7.688 -0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.341 6.764 -0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.113 4.251 -0.573 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.560 4.936 0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.898 2.435 0.569 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.440 2.774 1.301 1.00 0.00 H new ATOM 1044 N GLU A 69 0.010 8.042 -2.740 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.384 8.356 -2.941 1.00 0.00 C ATOM 1046 C GLU A 69 -1.755 8.189 -4.397 1.00 0.00 C ATOM 1047 O GLU A 69 -2.812 7.662 -4.720 1.00 0.00 O ATOM 1048 CB GLU A 69 -1.696 9.781 -2.464 1.00 0.00 C ATOM 1049 CG GLU A 69 -1.601 9.841 -0.928 1.00 0.00 C ATOM 1050 CD GLU A 69 -1.893 11.245 -0.406 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -2.156 12.124 -1.213 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -1.847 11.425 0.787 1.00 0.00 O ATOM 0 H GLU A 69 0.585 8.828 -2.436 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.981 7.663 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.995 10.487 -2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.694 10.074 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.307 9.135 -0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.604 9.534 -0.611 1.00 0.00 H new ATOM 1059 N ASP A 70 -0.854 8.593 -5.272 1.00 0.00 N ATOM 1060 CA ASP A 70 -1.090 8.485 -6.701 1.00 0.00 C ATOM 1061 C ASP A 70 -1.370 7.056 -7.072 1.00 0.00 C ATOM 1062 O ASP A 70 -2.358 6.764 -7.751 1.00 0.00 O ATOM 1063 CB ASP A 70 0.138 8.946 -7.467 1.00 0.00 C ATOM 1064 CG ASP A 70 -0.230 9.189 -8.906 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -0.752 10.247 -9.180 1.00 0.00 O ATOM 1066 OD2 ASP A 70 -0.007 8.319 -9.712 1.00 0.00 O ATOM 0 H ASP A 70 0.047 8.999 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.946 9.110 -6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.535 9.859 -7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.923 8.193 -7.404 1.00 0.00 H new ATOM 1071 N ALA A 71 -0.525 6.160 -6.598 1.00 0.00 N ATOM 1072 CA ALA A 71 -0.706 4.748 -6.865 1.00 0.00 C ATOM 1073 C ALA A 71 -2.006 4.271 -6.246 1.00 0.00 C ATOM 1074 O ALA A 71 -2.749 3.504 -6.865 1.00 0.00 O ATOM 1075 CB ALA A 71 0.472 3.933 -6.323 1.00 0.00 C ATOM 0 H ALA A 71 0.291 6.385 -6.028 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.748 4.602 -7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.312 2.876 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.394 4.264 -6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.550 4.078 -5.245 1.00 0.00 H new ATOM 1081 N ALA A 72 -2.303 4.768 -5.042 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.544 4.413 -4.367 1.00 0.00 C ATOM 1083 C ALA A 72 -4.735 4.854 -5.193 1.00 0.00 C ATOM 1084 O ALA A 72 -5.653 4.074 -5.453 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.610 5.058 -2.977 1.00 0.00 C ATOM 0 H ALA A 72 -1.705 5.411 -4.523 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.570 3.330 -4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.545 4.780 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.770 4.711 -2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.562 6.142 -3.076 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.699 6.092 -5.646 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.759 6.606 -6.491 1.00 0.00 C ATOM 1093 C PHE A 73 -5.799 5.836 -7.791 1.00 0.00 C ATOM 1094 O PHE A 73 -6.871 5.610 -8.349 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.559 8.095 -6.820 1.00 0.00 C ATOM 1096 CG PHE A 73 -5.910 8.973 -5.644 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -7.250 9.163 -5.290 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -4.895 9.611 -4.913 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -7.574 9.985 -4.205 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -5.220 10.431 -3.829 1.00 0.00 C ATOM 1101 CZ PHE A 73 -6.559 10.619 -3.475 1.00 0.00 C ATOM 0 H PHE A 73 -3.952 6.757 -5.445 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.693 6.489 -5.941 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.522 8.269 -7.109 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.178 8.366 -7.675 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.033 8.676 -5.853 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.861 9.468 -5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.608 10.131 -3.929 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.438 10.919 -3.266 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.812 11.253 -2.638 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.625 5.576 -8.354 1.00 0.00 N ATOM 1112 CA ARG A 74 -4.553 4.975 -9.670 1.00 0.00 C ATOM 1113 C ARG A 74 -5.167 3.579 -9.645 1.00 0.00 C ATOM 1114 O ARG A 74 -5.896 3.189 -10.557 1.00 0.00 O ATOM 1115 CB ARG A 74 -3.090 4.831 -10.119 1.00 0.00 C ATOM 1116 CG ARG A 74 -3.049 4.650 -11.641 1.00 0.00 C ATOM 1117 CD ARG A 74 -1.645 4.229 -12.084 1.00 0.00 C ATOM 1118 NE ARG A 74 -1.428 2.826 -11.722 1.00 0.00 N ATOM 1119 CZ ARG A 74 -0.232 2.315 -11.434 1.00 0.00 C ATOM 1120 NH1 ARG A 74 0.823 3.075 -11.410 1.00 0.00 N ATOM 1121 NH2 ARG A 74 -0.126 1.046 -11.178 1.00 0.00 N ATOM 0 H ARG A 74 -3.722 5.771 -7.922 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.097 5.622 -10.359 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.519 5.713 -9.830 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.627 3.976 -9.626 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.776 3.897 -11.945 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.330 5.581 -12.133 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.535 4.361 -13.160 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.895 4.861 -11.607 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.237 2.206 -11.689 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.739 4.071 -11.613 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.735 2.675 -11.188 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.954 0.451 -11.199 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.785 0.645 -10.956 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.773 2.795 -8.651 1.00 0.00 N ATOM 1136 CA LEU A 75 -5.164 1.392 -8.586 1.00 0.00 C ATOM 1137 C LEU A 75 -6.343 1.138 -7.680 1.00 0.00 C ATOM 1138 O LEU A 75 -6.479 0.047 -7.123 1.00 0.00 O ATOM 1139 CB LEU A 75 -3.985 0.491 -8.234 1.00 0.00 C ATOM 1140 CG LEU A 75 -2.918 0.604 -9.337 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -1.698 -0.221 -8.959 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -3.487 0.099 -10.673 1.00 0.00 C ATOM 0 H LEU A 75 -4.183 3.105 -7.879 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.496 1.132 -9.591 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.563 0.782 -7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.317 -0.543 -8.137 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.629 1.650 -9.444 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.945 -0.138 -9.743 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.286 0.148 -8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.987 -1.266 -8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.725 0.183 -11.448 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.787 -0.944 -10.570 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.353 0.700 -10.950 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.254 2.088 -7.617 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.485 1.884 -6.867 1.00 0.00 C ATOM 1156 C GLN A 76 -9.157 0.607 -7.370 1.00 0.00 C ATOM 1157 O GLN A 76 -9.955 -0.024 -6.672 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.420 3.085 -7.046 1.00 0.00 C ATOM 1159 CG GLN A 76 -8.785 4.313 -6.385 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.586 5.567 -6.699 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -10.781 5.643 -6.400 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -9.010 6.548 -7.315 1.00 0.00 N ATOM 0 H GLN A 76 -7.171 2.999 -8.068 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.259 1.787 -5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.592 3.274 -8.106 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.391 2.876 -6.598 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.737 4.167 -5.306 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.760 4.432 -6.737 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.022 6.485 -7.562 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.543 7.384 -7.553 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.757 0.200 -8.563 1.00 0.00 N ATOM 1172 CA VAL A 77 -9.236 -1.022 -9.177 1.00 0.00 C ATOM 1173 C VAL A 77 -8.892 -2.216 -8.311 1.00 0.00 C ATOM 1174 O VAL A 77 -9.732 -3.085 -8.084 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.615 -1.175 -10.575 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -8.631 0.176 -11.267 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -7.160 -1.670 -10.483 1.00 0.00 C ATOM 0 H VAL A 77 -8.086 0.713 -9.135 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.320 -0.972 -9.274 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.196 -1.906 -11.137 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -8.193 0.081 -12.261 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.659 0.527 -11.356 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.053 0.891 -10.682 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.745 -1.769 -11.486 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.567 -0.953 -9.915 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.136 -2.638 -9.983 1.00 0.00 H new ATOM 1187 N GLY A 78 -7.687 -2.205 -7.752 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.268 -3.248 -6.837 1.00 0.00 C ATOM 1189 C GLY A 78 -6.022 -3.969 -7.298 1.00 0.00 C ATOM 1190 O GLY A 78 -5.608 -4.960 -6.689 1.00 0.00 O ATOM 0 H GLY A 78 -6.986 -1.483 -7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.087 -2.811 -5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.077 -3.969 -6.721 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.422 -3.469 -8.348 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.212 -4.047 -8.878 1.00 0.00 C ATOM 1196 C GLU A 79 -3.054 -3.709 -7.963 1.00 0.00 C ATOM 1197 O GLU A 79 -3.046 -2.642 -7.343 1.00 0.00 O ATOM 1198 CB GLU A 79 -3.951 -3.499 -10.281 1.00 0.00 C ATOM 1199 CG GLU A 79 -3.579 -4.642 -11.238 1.00 0.00 C ATOM 1200 CD GLU A 79 -4.825 -5.224 -11.892 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -5.859 -5.232 -11.263 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -4.724 -5.676 -13.012 1.00 0.00 O ATOM 0 H GLU A 79 -5.757 -2.652 -8.859 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.318 -5.130 -8.938 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.838 -2.982 -10.648 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.145 -2.766 -10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.898 -4.273 -12.005 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.051 -5.423 -10.691 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.066 -4.588 -7.896 1.00 0.00 N ATOM 1210 CA VAL A 80 -0.896 -4.313 -7.088 1.00 0.00 C ATOM 1211 C VAL A 80 -0.092 -3.225 -7.770 1.00 0.00 C ATOM 1212 O VAL A 80 0.206 -3.327 -8.971 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.027 -5.574 -6.926 1.00 0.00 C ATOM 1214 CG1 VAL A 80 1.240 -5.229 -6.136 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -0.804 -6.676 -6.189 1.00 0.00 C ATOM 0 H VAL A 80 -2.053 -5.483 -8.384 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.212 -3.993 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 80 0.244 -5.938 -7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.853 -6.123 -6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.806 -4.466 -6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.963 -4.852 -5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.173 -7.559 -6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.094 -6.318 -5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.697 -6.934 -6.758 1.00 0.00 H new ATOM 1225 N SER A 81 0.250 -2.197 -7.027 1.00 0.00 N ATOM 1226 CA SER A 81 1.008 -1.088 -7.568 1.00 0.00 C ATOM 1227 C SER A 81 2.481 -1.422 -7.668 1.00 0.00 C ATOM 1228 O SER A 81 2.999 -2.212 -6.881 1.00 0.00 O ATOM 1229 CB SER A 81 0.810 0.128 -6.681 1.00 0.00 C ATOM 1230 OG SER A 81 0.977 -0.278 -5.331 1.00 0.00 O ATOM 0 H SER A 81 0.014 -2.104 -6.039 1.00 0.00 H new ATOM 0 HA SER A 81 0.647 -0.879 -8.575 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.529 0.906 -6.936 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.183 0.551 -6.831 1.00 0.00 H new ATOM 0 HG SER A 81 0.153 -0.702 -5.012 1.00 0.00 H new ATOM 1236 N GLU A 82 3.166 -0.731 -8.570 1.00 0.00 N ATOM 1237 CA GLU A 82 4.603 -0.831 -8.702 1.00 0.00 C ATOM 1238 C GLU A 82 5.225 -0.257 -7.445 1.00 0.00 C ATOM 1239 O GLU A 82 4.566 0.495 -6.725 1.00 0.00 O ATOM 1240 CB GLU A 82 5.079 -0.018 -9.919 1.00 0.00 C ATOM 1241 CG GLU A 82 4.216 -0.345 -11.136 1.00 0.00 C ATOM 1242 CD GLU A 82 2.964 0.517 -11.150 1.00 0.00 C ATOM 1243 OE1 GLU A 82 2.000 0.142 -10.521 1.00 0.00 O ATOM 1244 OE2 GLU A 82 2.982 1.546 -11.777 1.00 0.00 O ATOM 0 H GLU A 82 2.734 -0.085 -9.230 1.00 0.00 H new ATOM 0 HA GLU A 82 4.895 -1.872 -8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.023 1.048 -9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.124 -0.245 -10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.788 -0.180 -12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.938 -1.399 -11.119 1.00 0.00 H new ATOM 1251 N PRO A 83 6.456 -0.549 -7.170 1.00 0.00 N ATOM 1252 CA PRO A 83 7.087 -0.001 -5.936 1.00 0.00 C ATOM 1253 C PRO A 83 6.975 1.518 -5.919 1.00 0.00 C ATOM 1254 O PRO A 83 7.335 2.190 -6.896 1.00 0.00 O ATOM 1255 CB PRO A 83 8.559 -0.404 -6.072 1.00 0.00 C ATOM 1256 CG PRO A 83 8.549 -1.569 -6.997 1.00 0.00 C ATOM 1257 CD PRO A 83 7.420 -1.303 -7.984 1.00 0.00 C ATOM 0 HA PRO A 83 6.620 -0.370 -5.023 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.158 0.414 -6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.988 -0.670 -5.106 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.504 -1.668 -7.512 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.383 -2.499 -6.453 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.761 -0.728 -8.845 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.991 -2.228 -8.368 1.00 0.00 H new ATOM 1265 N VAL A 84 6.499 2.050 -4.816 1.00 0.00 N ATOM 1266 CA VAL A 84 6.361 3.480 -4.648 1.00 0.00 C ATOM 1267 C VAL A 84 7.438 3.964 -3.709 1.00 0.00 C ATOM 1268 O VAL A 84 7.454 3.585 -2.539 1.00 0.00 O ATOM 1269 CB VAL A 84 4.972 3.801 -4.064 1.00 0.00 C ATOM 1270 CG1 VAL A 84 4.827 5.310 -3.841 1.00 0.00 C ATOM 1271 CG2 VAL A 84 3.883 3.314 -5.027 1.00 0.00 C ATOM 0 H VAL A 84 6.196 1.504 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 84 6.461 3.980 -5.611 1.00 0.00 H new ATOM 0 HB VAL A 84 4.865 3.291 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.841 5.524 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.594 5.650 -3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.943 5.831 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.901 3.542 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.996 3.816 -5.988 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.976 2.237 -5.167 1.00 0.00 H new ATOM 1281 N LYS A 85 8.347 4.778 -4.207 1.00 0.00 N ATOM 1282 CA LYS A 85 9.392 5.287 -3.353 1.00 0.00 C ATOM 1283 C LYS A 85 8.929 6.520 -2.619 1.00 0.00 C ATOM 1284 O LYS A 85 8.312 7.417 -3.206 1.00 0.00 O ATOM 1285 CB LYS A 85 10.683 5.592 -4.109 1.00 0.00 C ATOM 1286 CG LYS A 85 11.751 5.958 -3.064 1.00 0.00 C ATOM 1287 CD LYS A 85 13.106 6.195 -3.723 1.00 0.00 C ATOM 1288 CE LYS A 85 14.134 6.505 -2.632 1.00 0.00 C ATOM 1289 NZ LYS A 85 13.641 7.624 -1.787 1.00 0.00 N ATOM 0 H LYS A 85 8.382 5.094 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 85 9.614 4.495 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.999 4.728 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.533 6.414 -4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.444 6.854 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.835 5.157 -2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.410 5.315 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.043 7.023 -4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.306 5.621 -2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.090 6.770 -3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.441 8.057 -1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.184 8.338 -2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.953 7.261 -1.097 1.00 0.00 H new ATOM 1303 N SER A 86 9.286 6.587 -1.365 1.00 0.00 N ATOM 1304 CA SER A 86 8.993 7.716 -0.530 1.00 0.00 C ATOM 1305 C SER A 86 10.234 8.047 0.272 1.00 0.00 C ATOM 1306 O SER A 86 11.218 7.294 0.242 1.00 0.00 O ATOM 1307 CB SER A 86 7.852 7.366 0.421 1.00 0.00 C ATOM 1308 OG SER A 86 8.326 6.445 1.402 1.00 0.00 O ATOM 0 H SER A 86 9.798 5.844 -0.888 1.00 0.00 H new ATOM 0 HA SER A 86 8.698 8.569 -1.140 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.475 8.268 0.903 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.021 6.930 -0.133 1.00 0.00 H new ATOM 0 HG SER A 86 7.594 5.855 1.678 1.00 0.00 H new ATOM 1314 N GLU A 87 10.168 9.108 1.042 1.00 0.00 N ATOM 1315 CA GLU A 87 11.258 9.440 1.943 1.00 0.00 C ATOM 1316 C GLU A 87 11.411 8.296 2.938 1.00 0.00 C ATOM 1317 O GLU A 87 12.513 7.997 3.419 1.00 0.00 O ATOM 1318 CB GLU A 87 10.978 10.763 2.702 1.00 0.00 C ATOM 1319 CG GLU A 87 9.592 11.347 2.333 1.00 0.00 C ATOM 1320 CD GLU A 87 9.550 11.760 0.873 1.00 0.00 C ATOM 1321 OE1 GLU A 87 10.371 12.555 0.480 1.00 0.00 O ATOM 1322 OE2 GLU A 87 8.701 11.271 0.169 1.00 0.00 O ATOM 0 H GLU A 87 9.379 9.755 1.067 1.00 0.00 H new ATOM 0 HA GLU A 87 12.173 9.579 1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.024 10.584 3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.755 11.490 2.466 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.817 10.606 2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.376 12.208 2.965 1.00 0.00 H new ATOM 1329 N PHE A 88 10.276 7.680 3.256 1.00 0.00 N ATOM 1330 CA PHE A 88 10.197 6.568 4.187 1.00 0.00 C ATOM 1331 C PHE A 88 10.853 5.312 3.633 1.00 0.00 C ATOM 1332 O PHE A 88 11.421 4.523 4.387 1.00 0.00 O ATOM 1333 CB PHE A 88 8.738 6.275 4.514 1.00 0.00 C ATOM 1334 CG PHE A 88 8.176 7.410 5.335 1.00 0.00 C ATOM 1335 CD1 PHE A 88 8.528 7.545 6.687 1.00 0.00 C ATOM 1336 CD2 PHE A 88 7.307 8.335 4.742 1.00 0.00 C ATOM 1337 CE1 PHE A 88 8.007 8.605 7.440 1.00 0.00 C ATOM 1338 CE2 PHE A 88 6.786 9.391 5.497 1.00 0.00 C ATOM 1339 CZ PHE A 88 7.134 9.527 6.845 1.00 0.00 C ATOM 0 H PHE A 88 9.372 7.947 2.865 1.00 0.00 H new ATOM 0 HA PHE A 88 10.736 6.856 5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.164 6.156 3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.657 5.338 5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.199 6.833 7.146 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.039 8.233 3.701 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.278 8.712 8.480 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.114 10.102 5.039 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.730 10.342 7.427 1.00 0.00 H new ATOM 1349 N GLY A 89 10.678 5.070 2.343 1.00 0.00 N ATOM 1350 CA GLY A 89 11.194 3.851 1.721 1.00 0.00 C ATOM 1351 C GLY A 89 10.356 3.471 0.518 1.00 0.00 C ATOM 1352 O GLY A 89 9.814 4.345 -0.159 1.00 0.00 O ATOM 0 H GLY A 89 10.186 5.696 1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.230 4.002 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.190 3.037 2.446 1.00 0.00 H new ATOM 1356 N TYR A 90 10.221 2.178 0.265 1.00 0.00 N ATOM 1357 CA TYR A 90 9.422 1.706 -0.858 1.00 0.00 C ATOM 1358 C TYR A 90 8.116 1.113 -0.374 1.00 0.00 C ATOM 1359 O TYR A 90 8.110 0.277 0.521 1.00 0.00 O ATOM 1360 CB TYR A 90 10.188 0.653 -1.661 1.00 0.00 C ATOM 1361 CG TYR A 90 11.318 1.302 -2.422 1.00 0.00 C ATOM 1362 CD1 TYR A 90 11.090 1.818 -3.703 1.00 0.00 C ATOM 1363 CD2 TYR A 90 12.596 1.382 -1.853 1.00 0.00 C ATOM 1364 CE1 TYR A 90 12.132 2.414 -4.416 1.00 0.00 C ATOM 1365 CE2 TYR A 90 13.645 1.976 -2.570 1.00 0.00 C ATOM 1366 CZ TYR A 90 13.407 2.492 -3.855 1.00 0.00 C ATOM 1367 OH TYR A 90 14.424 3.066 -4.572 1.00 0.00 O ATOM 0 H TYR A 90 10.652 1.438 0.819 1.00 0.00 H new ATOM 0 HA TYR A 90 9.211 2.562 -1.499 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.582 -0.111 -0.991 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.513 0.151 -2.354 1.00 0.00 H new ATOM 0 HD1 TYR A 90 10.105 1.755 -4.141 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.773 0.987 -0.864 1.00 0.00 H new ATOM 0 HE1 TYR A 90 11.951 2.815 -5.402 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.632 2.037 -2.136 1.00 0.00 H new ATOM 0 HH TYR A 90 15.249 3.044 -4.044 1.00 0.00 H new ATOM 1377 N HIS A 91 7.029 1.485 -1.017 1.00 0.00 N ATOM 1378 CA HIS A 91 5.721 0.937 -0.693 1.00 0.00 C ATOM 1379 C HIS A 91 5.179 0.135 -1.863 1.00 0.00 C ATOM 1380 O HIS A 91 5.277 0.575 -3.011 1.00 0.00 O ATOM 1381 CB HIS A 91 4.702 2.051 -0.398 1.00 0.00 C ATOM 1382 CG HIS A 91 5.238 3.086 0.555 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.583 3.394 1.732 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.322 3.925 0.499 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.268 4.384 2.331 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.333 4.745 1.620 1.00 0.00 N ATOM 0 H HIS A 91 7.022 2.170 -1.773 1.00 0.00 H new ATOM 0 HA HIS A 91 5.853 0.308 0.187 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.417 2.535 -1.332 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.798 1.610 0.021 1.00 0.00 H new ATOM 0 HD1 HIS A 91 3.734 2.951 2.083 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.054 3.945 -0.295 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.988 4.831 3.273 1.00 0.00 H new ATOM 1394 N VAL A 92 4.426 -0.903 -1.557 1.00 0.00 N ATOM 1395 CA VAL A 92 3.625 -1.595 -2.557 1.00 0.00 C ATOM 1396 C VAL A 92 2.168 -1.447 -2.134 1.00 0.00 C ATOM 1397 O VAL A 92 1.852 -1.641 -0.953 1.00 0.00 O ATOM 1398 CB VAL A 92 4.027 -3.077 -2.626 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.070 -3.848 -3.545 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.460 -3.190 -3.152 1.00 0.00 C ATOM 0 H VAL A 92 4.350 -1.291 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 92 3.781 -1.172 -3.549 1.00 0.00 H new ATOM 0 HB VAL A 92 3.970 -3.509 -1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.368 -4.896 -3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.054 -3.773 -3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.107 -3.423 -4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.748 -4.240 -3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.518 -2.750 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.137 -2.660 -2.482 1.00 0.00 H new ATOM 1410 N ILE A 93 1.316 -0.977 -3.032 1.00 0.00 N ATOM 1411 CA ILE A 93 -0.050 -0.635 -2.659 1.00 0.00 C ATOM 1412 C ILE A 93 -1.071 -1.513 -3.362 1.00 0.00 C ATOM 1413 O ILE A 93 -1.085 -1.602 -4.601 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.337 0.836 -2.991 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.645 1.735 -2.249 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.764 1.202 -2.561 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.488 3.164 -2.754 1.00 0.00 C ATOM 0 H ILE A 93 1.542 -0.824 -4.015 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.140 -0.802 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.229 0.978 -4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.458 1.692 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.666 1.389 -2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.959 2.247 -2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.477 0.569 -3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.871 1.050 -1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.187 3.815 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.696 3.197 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.531 3.504 -2.572 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.983 -2.047 -2.572 1.00 0.00 N ATOM 1430 CA LYS A 94 -3.146 -2.774 -3.054 1.00 0.00 C ATOM 1431 C LYS A 94 -4.423 -2.078 -2.560 1.00 0.00 C ATOM 1432 O LYS A 94 -4.416 -1.462 -1.503 1.00 0.00 O ATOM 1433 CB LYS A 94 -3.105 -4.225 -2.571 1.00 0.00 C ATOM 1434 CG LYS A 94 -4.376 -4.947 -3.006 1.00 0.00 C ATOM 1435 CD LYS A 94 -4.325 -6.397 -2.544 1.00 0.00 C ATOM 1436 CE LYS A 94 -5.599 -7.101 -2.998 1.00 0.00 C ATOM 1437 NZ LYS A 94 -6.753 -6.556 -2.234 1.00 0.00 N ATOM 0 H LYS A 94 -1.937 -1.987 -1.555 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.141 -2.779 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.230 -4.730 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.012 -4.255 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.250 -4.451 -2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.477 -4.904 -4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.449 -6.895 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.233 -6.445 -1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.751 -6.952 -4.067 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.514 -8.175 -2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.576 -7.179 -2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.507 -6.502 -1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.984 -5.605 -2.585 1.00 0.00 H new ATOM 1451 N ARG A 95 -5.511 -2.169 -3.327 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.782 -1.534 -2.922 1.00 0.00 C ATOM 1453 C ARG A 95 -7.487 -2.388 -1.886 1.00 0.00 C ATOM 1454 O ARG A 95 -7.464 -3.616 -1.972 1.00 0.00 O ATOM 1455 CB ARG A 95 -7.723 -1.337 -4.117 1.00 0.00 C ATOM 1456 CG ARG A 95 -8.846 -0.348 -3.743 1.00 0.00 C ATOM 1457 CD ARG A 95 -10.202 -1.062 -3.792 1.00 0.00 C ATOM 1458 NE ARG A 95 -10.354 -1.798 -5.053 1.00 0.00 N ATOM 1459 CZ ARG A 95 -11.032 -2.955 -5.122 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.641 -3.412 -4.067 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -11.103 -3.606 -6.246 1.00 0.00 N ATOM 0 H ARG A 95 -5.547 -2.665 -4.218 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.536 -0.558 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.164 -0.959 -4.973 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.153 -2.294 -4.414 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.672 0.054 -2.745 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.844 0.497 -4.432 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.287 -1.750 -2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.006 -0.333 -3.691 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.932 -1.420 -5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.603 -2.892 -3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.157 -4.291 -4.116 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.643 -3.238 -7.079 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.619 -4.485 -6.295 1.00 0.00 H new ATOM 1475 N LEU A 96 -8.143 -1.751 -0.932 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.895 -2.465 0.088 1.00 0.00 C ATOM 1477 C LEU A 96 -10.374 -2.111 -0.018 1.00 0.00 C ATOM 1478 O LEU A 96 -10.722 -0.957 -0.253 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.358 -2.129 1.483 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.172 -2.875 2.548 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -9.000 -4.388 2.369 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -8.682 -2.479 3.941 1.00 0.00 C ATOM 0 H LEU A 96 -8.171 -0.735 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.778 -3.537 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.307 -2.408 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.415 -1.054 1.655 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.224 -2.611 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.580 -4.912 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.350 -4.679 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.947 -4.649 2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.262 -3.010 4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.628 -2.739 4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.806 -1.405 4.078 1.00 0.00 H new ATOM 1494 N GLY A 97 -11.233 -3.111 0.063 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.666 -2.894 -0.069 1.00 0.00 C ATOM 1496 C GLY A 97 -13.391 -3.299 1.203 1.00 0.00 C ATOM 1497 O GLY A 97 -13.240 -2.623 2.195 1.00 0.00 O ATOM 1498 OXT GLY A 97 -14.083 -4.280 1.172 1.00 0.00 O ATOM 0 H GLY A 97 -10.965 -4.083 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.861 -1.844 -0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -13.050 -3.470 -0.911 1.00 0.00 H new