USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 706 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= 0.00374 (180deg=0) USER MOD Single : A 12 CYS SG : rot 71:sc= -8.37! USER MOD Single : A 13 SER OG : rot -110:sc= -0.345 USER MOD Single : A 14 HIS : no HE2:sc= -7.21! C(o=-7.2!,f=-8.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -2.28 K(o=-2.3,f=-6.1!) USER MOD Single : A 27 GLN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 155:sc= -1.39 (180deg=-2.29!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -26:sc= -6.84! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 98:sc= 0.575 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -178:sc= 0 (180deg=-0.00574) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot -36:sc= -0.175 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -140:sc= -0.209 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -6.84! C(o=-6.8!,f=-9.1!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 7.410 8.481 0.667 1.00 0.00 N ATOM 99 CA LYS A 9 6.421 7.582 0.097 1.00 0.00 C ATOM 100 C LYS A 9 6.124 6.416 1.021 1.00 0.00 C ATOM 101 O LYS A 9 6.916 6.086 1.904 1.00 0.00 O ATOM 102 CB LYS A 9 6.935 7.033 -1.229 1.00 0.00 C ATOM 103 CG LYS A 9 6.822 8.001 -2.388 1.00 0.00 C ATOM 104 CD LYS A 9 7.411 9.354 -2.043 1.00 0.00 C ATOM 105 CE LYS A 9 7.318 10.305 -3.221 1.00 0.00 C ATOM 106 NZ LYS A 9 7.116 11.715 -2.788 1.00 0.00 N ATOM 0 HA LYS A 9 5.503 8.151 -0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.980 6.747 -1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.382 6.126 -1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.336 7.591 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.774 8.119 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.884 9.777 -1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.454 9.236 -1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.229 10.236 -3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.493 10.003 -3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.058 12.330 -3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.233 11.788 -2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.915 12.014 -2.194 1.00 0.00 H new ATOM 120 N ILE A 10 4.990 5.775 0.781 1.00 0.00 N ATOM 121 CA ILE A 10 4.601 4.614 1.562 1.00 0.00 C ATOM 122 C ILE A 10 4.668 3.384 0.695 1.00 0.00 C ATOM 123 O ILE A 10 4.102 3.335 -0.396 1.00 0.00 O ATOM 124 CB ILE A 10 3.184 4.707 2.154 1.00 0.00 C ATOM 125 CG1 ILE A 10 2.820 6.155 2.439 1.00 0.00 C ATOM 126 CG2 ILE A 10 3.087 3.872 3.424 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.367 6.331 2.792 1.00 0.00 C ATOM 0 H ILE A 10 4.326 6.039 0.053 1.00 0.00 H new ATOM 0 HA ILE A 10 5.299 4.564 2.398 1.00 0.00 H new ATOM 0 HB ILE A 10 2.476 4.313 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.436 6.526 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.053 6.763 1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.079 3.947 3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.308 2.830 3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.804 4.241 4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.165 7.384 2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.747 5.988 1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.136 5.748 3.683 1.00 0.00 H new ATOM 139 N LYS A 11 5.363 2.399 1.197 1.00 0.00 N ATOM 140 CA LYS A 11 5.524 1.146 0.489 1.00 0.00 C ATOM 141 C LYS A 11 4.520 0.142 1.022 1.00 0.00 C ATOM 142 O LYS A 11 4.762 -0.525 2.024 1.00 0.00 O ATOM 143 CB LYS A 11 6.959 0.646 0.632 1.00 0.00 C ATOM 144 CG LYS A 11 7.994 1.747 0.408 1.00 0.00 C ATOM 145 CD LYS A 11 9.176 1.607 1.352 1.00 0.00 C ATOM 146 CE LYS A 11 10.327 0.863 0.695 1.00 0.00 C ATOM 147 NZ LYS A 11 11.613 1.603 0.824 1.00 0.00 N ATOM 0 H LYS A 11 5.833 2.436 2.102 1.00 0.00 H new ATOM 0 HA LYS A 11 5.334 1.288 -0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.094 0.223 1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.131 -0.159 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.346 1.712 -0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.526 2.721 0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.512 2.595 1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.864 1.076 2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.428 -0.123 1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.103 0.706 -0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.407 0.947 0.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.654 2.356 0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.678 2.024 1.773 1.00 0.00 H new ATOM 161 N CYS A 12 3.368 0.088 0.365 1.00 0.00 N ATOM 162 CA CYS A 12 2.287 -0.783 0.783 1.00 0.00 C ATOM 163 C CYS A 12 1.857 -1.718 -0.349 1.00 0.00 C ATOM 164 O CYS A 12 2.410 -1.676 -1.447 1.00 0.00 O ATOM 165 CB CYS A 12 1.118 0.088 1.270 1.00 0.00 C ATOM 166 SG CYS A 12 -0.167 0.406 0.035 1.00 0.00 S ATOM 0 H CYS A 12 3.162 0.643 -0.465 1.00 0.00 H new ATOM 0 HA CYS A 12 2.627 -1.421 1.599 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.660 -0.395 2.133 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.515 1.043 1.613 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.832 -0.688 -0.191 1.00 0.00 H new ATOM 172 N SER A 13 0.868 -2.557 -0.067 1.00 0.00 N ATOM 173 CA SER A 13 0.348 -3.504 -1.050 1.00 0.00 C ATOM 174 C SER A 13 -1.150 -3.289 -1.238 1.00 0.00 C ATOM 175 O SER A 13 -1.808 -2.698 -0.383 1.00 0.00 O ATOM 176 CB SER A 13 0.620 -4.943 -0.605 1.00 0.00 C ATOM 177 OG SER A 13 -0.320 -5.842 -1.171 1.00 0.00 O ATOM 0 H SER A 13 0.406 -2.602 0.841 1.00 0.00 H new ATOM 0 HA SER A 13 0.855 -3.334 -2.000 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.628 -5.233 -0.901 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.577 -5.004 0.482 1.00 0.00 H new ATOM 0 HG SER A 13 -0.915 -6.178 -0.469 1.00 0.00 H new ATOM 183 N HIS A 14 -1.689 -3.767 -2.355 1.00 0.00 N ATOM 184 CA HIS A 14 -3.114 -3.610 -2.624 1.00 0.00 C ATOM 185 C HIS A 14 -3.736 -4.890 -3.167 1.00 0.00 C ATOM 186 O HIS A 14 -3.093 -5.663 -3.877 1.00 0.00 O ATOM 187 CB HIS A 14 -3.356 -2.442 -3.588 1.00 0.00 C ATOM 188 CG HIS A 14 -3.027 -2.742 -5.021 1.00 0.00 C ATOM 189 ND1 HIS A 14 -2.246 -3.810 -5.413 1.00 0.00 N ATOM 190 CD2 HIS A 14 -3.382 -2.101 -6.160 1.00 0.00 C ATOM 191 CE1 HIS A 14 -2.136 -3.811 -6.730 1.00 0.00 C ATOM 192 NE2 HIS A 14 -2.816 -2.786 -7.207 1.00 0.00 N ATOM 0 H HIS A 14 -1.168 -4.260 -3.080 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.601 -3.389 -1.674 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.402 -2.144 -3.523 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.761 -1.589 -3.262 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -1.820 -4.492 -4.785 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.996 -1.216 -6.232 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.583 -4.530 -7.317 1.00 0.00 H new ATOM 201 N ILE A 15 -5.000 -5.099 -2.819 1.00 0.00 N ATOM 202 CA ILE A 15 -5.737 -6.274 -3.259 1.00 0.00 C ATOM 203 C ILE A 15 -7.232 -5.964 -3.338 1.00 0.00 C ATOM 204 O ILE A 15 -7.869 -5.669 -2.327 1.00 0.00 O ATOM 205 CB ILE A 15 -5.491 -7.469 -2.307 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.081 -8.026 -2.522 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.533 -8.569 -2.501 1.00 0.00 C ATOM 208 CD1 ILE A 15 -3.032 -7.371 -1.651 1.00 0.00 C ATOM 0 H ILE A 15 -5.538 -4.464 -2.229 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.379 -6.547 -4.252 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.584 -7.107 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.089 -9.098 -2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.804 -7.898 -3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.327 -9.391 -1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.527 -8.169 -2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.490 -8.934 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.058 -7.816 -1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.996 -6.303 -1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.285 -7.522 -0.601 1.00 0.00 H new ATOM 220 N LEU A 16 -7.778 -6.014 -4.548 1.00 0.00 N ATOM 221 CA LEU A 16 -9.189 -5.721 -4.762 1.00 0.00 C ATOM 222 C LEU A 16 -10.025 -6.987 -4.911 1.00 0.00 C ATOM 223 O LEU A 16 -9.678 -7.883 -5.680 1.00 0.00 O ATOM 224 CB LEU A 16 -9.362 -4.852 -6.009 1.00 0.00 C ATOM 225 CG LEU A 16 -10.492 -3.824 -5.937 1.00 0.00 C ATOM 226 CD1 LEU A 16 -10.257 -2.855 -4.789 1.00 0.00 C ATOM 227 CD2 LEU A 16 -10.614 -3.070 -7.253 1.00 0.00 C ATOM 0 H LEU A 16 -7.264 -6.255 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.543 -5.187 -3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.426 -4.326 -6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.540 -5.504 -6.864 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.427 -4.354 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.070 -2.130 -4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.219 -3.406 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.312 -2.333 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.423 -2.343 -7.182 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.678 -2.552 -7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.828 -3.774 -8.057 1.00 0.00 H new ATOM 239 N VAL A 17 -11.141 -7.033 -4.190 1.00 0.00 N ATOM 240 CA VAL A 17 -12.060 -8.162 -4.258 1.00 0.00 C ATOM 241 C VAL A 17 -13.497 -7.672 -4.079 1.00 0.00 C ATOM 242 O VAL A 17 -13.772 -6.862 -3.195 1.00 0.00 O ATOM 243 CB VAL A 17 -11.736 -9.233 -3.194 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.272 -9.646 -3.276 1.00 0.00 C ATOM 245 CG2 VAL A 17 -12.078 -8.738 -1.794 1.00 0.00 C ATOM 0 H VAL A 17 -11.431 -6.296 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.946 -8.624 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.353 -10.108 -3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.064 -10.401 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.065 -10.057 -4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.638 -8.776 -3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.839 -9.513 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.498 -7.842 -1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.141 -8.505 -1.740 1.00 0.00 H new ATOM 255 N LYS A 18 -14.407 -8.147 -4.926 1.00 0.00 N ATOM 256 CA LYS A 18 -15.802 -7.719 -4.848 1.00 0.00 C ATOM 257 C LYS A 18 -16.518 -8.368 -3.670 1.00 0.00 C ATOM 258 O LYS A 18 -17.348 -7.736 -3.015 1.00 0.00 O ATOM 259 CB LYS A 18 -16.530 -8.047 -6.152 1.00 0.00 C ATOM 260 CG LYS A 18 -16.398 -6.965 -7.212 1.00 0.00 C ATOM 261 CD LYS A 18 -16.229 -7.560 -8.600 1.00 0.00 C ATOM 262 CE LYS A 18 -16.328 -6.492 -9.678 1.00 0.00 C ATOM 263 NZ LYS A 18 -16.479 -7.085 -11.035 1.00 0.00 N ATOM 0 H LYS A 18 -14.208 -8.820 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.812 -6.640 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.140 -8.984 -6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.587 -8.207 -5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.282 -6.327 -7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.542 -6.331 -6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.262 -8.059 -8.668 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.993 -8.320 -8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.178 -5.843 -9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.436 -5.867 -9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.543 -6.324 -11.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.656 -7.684 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.344 -7.661 -11.068 1.00 0.00 H new ATOM 277 N LYS A 19 -16.181 -9.619 -3.386 1.00 0.00 N ATOM 278 CA LYS A 19 -16.780 -10.328 -2.272 1.00 0.00 C ATOM 279 C LYS A 19 -16.238 -9.754 -0.966 1.00 0.00 C ATOM 280 O LYS A 19 -15.317 -10.294 -0.359 1.00 0.00 O ATOM 281 CB LYS A 19 -16.512 -11.830 -2.388 1.00 0.00 C ATOM 282 CG LYS A 19 -15.159 -12.188 -2.984 1.00 0.00 C ATOM 283 CD LYS A 19 -14.589 -13.451 -2.356 1.00 0.00 C ATOM 284 CE LYS A 19 -14.631 -14.624 -3.324 1.00 0.00 C ATOM 285 NZ LYS A 19 -15.925 -15.358 -3.253 1.00 0.00 N ATOM 0 H LYS A 19 -15.496 -10.160 -3.914 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.862 -10.194 -2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -16.587 -12.277 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -17.294 -12.279 -3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.260 -12.329 -4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.465 -11.361 -2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.560 -13.271 -2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.155 -13.699 -1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.475 -14.262 -4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.813 -15.309 -3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.913 -16.149 -3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.063 -15.726 -2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.704 -14.712 -3.492 1.00 0.00 H new ATOM 299 N GLN A 20 -16.804 -8.613 -0.582 1.00 0.00 N ATOM 300 CA GLN A 20 -16.383 -7.877 0.609 1.00 0.00 C ATOM 301 C GLN A 20 -16.193 -8.767 1.828 1.00 0.00 C ATOM 302 O GLN A 20 -15.421 -8.423 2.724 1.00 0.00 O ATOM 303 CB GLN A 20 -17.394 -6.768 0.923 1.00 0.00 C ATOM 304 CG GLN A 20 -17.236 -6.161 2.310 1.00 0.00 C ATOM 305 CD GLN A 20 -18.014 -6.917 3.368 1.00 0.00 C ATOM 306 OE1 GLN A 20 -18.483 -8.031 3.134 1.00 0.00 O ATOM 307 NE2 GLN A 20 -18.158 -6.314 4.542 1.00 0.00 N ATOM 0 H GLN A 20 -17.570 -8.170 -1.089 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.409 -7.444 0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.294 -5.978 0.178 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -18.402 -7.171 0.827 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.180 -6.149 2.580 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -17.571 -5.124 2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.753 -5.390 4.694 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.674 -6.775 5.292 1.00 0.00 H new ATOM 316 N GLY A 21 -16.874 -9.899 1.882 1.00 0.00 N ATOM 317 CA GLY A 21 -16.702 -10.761 3.031 1.00 0.00 C ATOM 318 C GLY A 21 -15.304 -11.329 3.067 1.00 0.00 C ATOM 319 O GLY A 21 -14.729 -11.538 4.137 1.00 0.00 O ATOM 0 H GLY A 21 -17.526 -10.231 1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.896 -10.200 3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.429 -11.572 2.995 1.00 0.00 H new ATOM 323 N GLU A 22 -14.738 -11.530 1.890 1.00 0.00 N ATOM 324 CA GLU A 22 -13.385 -12.033 1.775 1.00 0.00 C ATOM 325 C GLU A 22 -12.397 -10.954 2.191 1.00 0.00 C ATOM 326 O GLU A 22 -11.400 -11.227 2.855 1.00 0.00 O ATOM 327 CB GLU A 22 -13.121 -12.488 0.342 1.00 0.00 C ATOM 328 CG GLU A 22 -12.841 -11.370 -0.642 1.00 0.00 C ATOM 329 CD GLU A 22 -11.590 -11.625 -1.457 1.00 0.00 C ATOM 330 OE1 GLU A 22 -10.495 -11.233 -1.004 1.00 0.00 O ATOM 331 OE2 GLU A 22 -11.707 -12.218 -2.551 1.00 0.00 O ATOM 0 H GLU A 22 -15.199 -11.351 0.998 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.259 -12.890 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.272 -13.171 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.984 -13.053 -0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.693 -11.257 -1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.735 -10.430 -0.101 1.00 0.00 H new ATOM 338 N ALA A 23 -12.698 -9.723 1.798 1.00 0.00 N ATOM 339 CA ALA A 23 -11.856 -8.582 2.127 1.00 0.00 C ATOM 340 C ALA A 23 -11.578 -8.554 3.627 1.00 0.00 C ATOM 341 O ALA A 23 -10.479 -8.216 4.064 1.00 0.00 O ATOM 342 CB ALA A 23 -12.524 -7.287 1.675 1.00 0.00 C ATOM 0 H ALA A 23 -13.524 -9.489 1.248 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.906 -8.677 1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.885 -6.441 1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.681 -7.316 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.485 -7.178 2.178 1.00 0.00 H new ATOM 348 N LEU A 24 -12.588 -8.933 4.409 1.00 0.00 N ATOM 349 CA LEU A 24 -12.464 -8.978 5.862 1.00 0.00 C ATOM 350 C LEU A 24 -11.609 -10.163 6.300 1.00 0.00 C ATOM 351 O LEU A 24 -10.960 -10.124 7.342 1.00 0.00 O ATOM 352 CB LEU A 24 -13.846 -9.054 6.514 1.00 0.00 C ATOM 353 CG LEU A 24 -14.037 -8.148 7.731 1.00 0.00 C ATOM 354 CD1 LEU A 24 -13.184 -8.630 8.895 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.697 -6.706 7.382 1.00 0.00 C ATOM 0 H LEU A 24 -13.503 -9.214 4.057 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.971 -8.062 6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.598 -8.798 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.033 -10.085 6.814 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.084 -8.192 8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.333 -7.973 9.752 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.474 -9.646 9.162 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.133 -8.617 8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.839 -6.076 8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.659 -6.646 7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.350 -6.362 6.580 1.00 0.00 H new ATOM 367 N ALA A 25 -11.632 -11.229 5.505 1.00 0.00 N ATOM 368 CA ALA A 25 -10.870 -12.433 5.820 1.00 0.00 C ATOM 369 C ALA A 25 -9.431 -12.330 5.324 1.00 0.00 C ATOM 370 O ALA A 25 -8.498 -12.750 6.008 1.00 0.00 O ATOM 371 CB ALA A 25 -11.548 -13.654 5.218 1.00 0.00 C ATOM 0 H ALA A 25 -12.169 -11.284 4.640 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.841 -12.537 6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.971 -14.547 5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.554 -13.751 5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.606 -13.541 4.135 1.00 0.00 H new ATOM 377 N VAL A 26 -9.252 -11.773 4.130 1.00 0.00 N ATOM 378 CA VAL A 26 -7.925 -11.626 3.547 1.00 0.00 C ATOM 379 C VAL A 26 -7.007 -10.836 4.469 1.00 0.00 C ATOM 380 O VAL A 26 -5.825 -11.139 4.583 1.00 0.00 O ATOM 381 CB VAL A 26 -7.968 -10.942 2.160 1.00 0.00 C ATOM 382 CG1 VAL A 26 -9.136 -11.464 1.337 1.00 0.00 C ATOM 383 CG2 VAL A 26 -8.036 -9.426 2.296 1.00 0.00 C ATOM 0 H VAL A 26 -10.010 -11.416 3.548 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.532 -12.634 3.419 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.044 -11.189 1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.147 -10.969 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.029 -12.539 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.070 -11.258 1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.065 -8.973 1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.935 -9.150 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.157 -9.069 2.833 1.00 0.00 H new ATOM 393 N GLN A 27 -7.557 -9.825 5.134 1.00 0.00 N ATOM 394 CA GLN A 27 -6.763 -9.016 6.047 1.00 0.00 C ATOM 395 C GLN A 27 -6.125 -9.908 7.111 1.00 0.00 C ATOM 396 O GLN A 27 -4.915 -9.872 7.323 1.00 0.00 O ATOM 397 CB GLN A 27 -7.624 -7.913 6.685 1.00 0.00 C ATOM 398 CG GLN A 27 -8.608 -8.411 7.728 1.00 0.00 C ATOM 399 CD GLN A 27 -9.299 -7.279 8.466 1.00 0.00 C ATOM 400 OE1 GLN A 27 -9.433 -7.310 9.688 1.00 0.00 O ATOM 401 NE2 GLN A 27 -9.743 -6.271 7.723 1.00 0.00 N ATOM 0 H GLN A 27 -8.536 -9.550 5.059 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.966 -8.527 5.487 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.966 -7.176 7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.176 -7.399 5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.359 -9.036 7.245 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.083 -9.041 8.446 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.611 -6.286 6.712 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.216 -5.482 8.164 1.00 0.00 H new ATOM 410 N GLU A 28 -6.949 -10.731 7.754 1.00 0.00 N ATOM 411 CA GLU A 28 -6.472 -11.658 8.773 1.00 0.00 C ATOM 412 C GLU A 28 -5.713 -12.820 8.131 1.00 0.00 C ATOM 413 O GLU A 28 -4.822 -13.412 8.739 1.00 0.00 O ATOM 414 CB GLU A 28 -7.652 -12.178 9.609 1.00 0.00 C ATOM 415 CG GLU A 28 -8.265 -13.476 9.098 1.00 0.00 C ATOM 416 CD GLU A 28 -9.755 -13.560 9.358 1.00 0.00 C ATOM 417 OE1 GLU A 28 -10.395 -12.498 9.496 1.00 0.00 O ATOM 418 OE2 GLU A 28 -10.283 -14.691 9.425 1.00 0.00 O ATOM 0 H GLU A 28 -7.954 -10.774 7.586 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.785 -11.128 9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.316 -12.329 10.635 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.427 -11.412 9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.082 -13.563 8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.769 -14.321 9.576 1.00 0.00 H new ATOM 425 N ARG A 29 -6.098 -13.147 6.899 1.00 0.00 N ATOM 426 CA ARG A 29 -5.488 -14.247 6.156 1.00 0.00 C ATOM 427 C ARG A 29 -4.110 -13.869 5.622 1.00 0.00 C ATOM 428 O ARG A 29 -3.218 -14.713 5.525 1.00 0.00 O ATOM 429 CB ARG A 29 -6.403 -14.644 4.996 1.00 0.00 C ATOM 430 CG ARG A 29 -6.181 -16.058 4.491 1.00 0.00 C ATOM 431 CD ARG A 29 -6.459 -17.089 5.574 1.00 0.00 C ATOM 432 NE ARG A 29 -5.319 -17.976 5.792 1.00 0.00 N ATOM 433 CZ ARG A 29 -5.151 -18.714 6.887 1.00 0.00 C ATOM 434 NH1 ARG A 29 -6.047 -18.672 7.866 1.00 0.00 N ATOM 435 NH2 ARG A 29 -4.087 -19.494 7.004 1.00 0.00 N ATOM 0 H ARG A 29 -6.837 -12.661 6.391 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.360 -15.089 6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.441 -14.541 5.314 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.251 -13.947 4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.829 -16.245 3.635 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.154 -16.163 4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.705 -16.579 6.505 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.331 -17.681 5.295 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.609 -18.033 5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.868 -18.073 7.781 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.914 -19.239 8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.396 -19.529 6.255 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.959 -20.059 7.843 1.00 0.00 H new ATOM 449 N LEU A 30 -3.947 -12.601 5.267 1.00 0.00 N ATOM 450 CA LEU A 30 -2.686 -12.107 4.730 1.00 0.00 C ATOM 451 C LEU A 30 -1.521 -12.457 5.654 1.00 0.00 C ATOM 452 O LEU A 30 -0.582 -13.144 5.253 1.00 0.00 O ATOM 453 CB LEU A 30 -2.768 -10.594 4.515 1.00 0.00 C ATOM 454 CG LEU A 30 -1.755 -10.023 3.518 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.335 -10.283 3.994 1.00 0.00 C ATOM 456 CD2 LEU A 30 -1.978 -10.618 2.135 1.00 0.00 C ATOM 0 H LEU A 30 -4.677 -11.893 5.342 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.506 -12.591 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.772 -10.346 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.628 -10.098 5.476 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.901 -8.945 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.371 -9.871 3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.184 -9.808 4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.173 -11.357 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.250 -10.202 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.859 -11.700 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.985 -10.378 1.794 1.00 0.00 H new ATOM 468 N LYS A 31 -1.595 -11.990 6.894 1.00 0.00 N ATOM 469 CA LYS A 31 -0.554 -12.260 7.882 1.00 0.00 C ATOM 470 C LYS A 31 -0.587 -13.716 8.348 1.00 0.00 C ATOM 471 O LYS A 31 0.305 -14.161 9.072 1.00 0.00 O ATOM 472 CB LYS A 31 -0.709 -11.330 9.084 1.00 0.00 C ATOM 473 CG LYS A 31 -2.013 -11.528 9.843 1.00 0.00 C ATOM 474 CD LYS A 31 -2.959 -10.352 9.650 1.00 0.00 C ATOM 475 CE LYS A 31 -3.427 -9.786 10.981 1.00 0.00 C ATOM 476 NZ LYS A 31 -4.755 -10.332 11.382 1.00 0.00 N ATOM 0 H LYS A 31 -2.367 -11.421 7.242 1.00 0.00 H new ATOM 0 HA LYS A 31 0.408 -12.077 7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.126 -11.489 9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.650 -10.296 8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.497 -12.444 9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.801 -11.654 10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.458 -9.571 9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.822 -10.671 9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.692 -10.017 11.752 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.487 -8.700 10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.853 -10.283 12.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.510 -9.772 10.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.831 -11.322 11.074 1.00 0.00 H new ATOM 490 N ALA A 32 -1.624 -14.449 7.951 1.00 0.00 N ATOM 491 CA ALA A 32 -1.772 -15.843 8.352 1.00 0.00 C ATOM 492 C ALA A 32 -0.562 -16.683 7.948 1.00 0.00 C ATOM 493 O ALA A 32 -0.335 -17.759 8.502 1.00 0.00 O ATOM 494 CB ALA A 32 -3.043 -16.431 7.762 1.00 0.00 C ATOM 0 H ALA A 32 -2.373 -14.100 7.353 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.839 -15.865 9.440 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.139 -17.472 8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.905 -15.866 8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.998 -16.377 6.674 1.00 0.00 H new ATOM 500 N GLY A 33 0.209 -16.192 6.984 1.00 0.00 N ATOM 501 CA GLY A 33 1.372 -16.923 6.535 1.00 0.00 C ATOM 502 C GLY A 33 1.640 -16.763 5.050 1.00 0.00 C ATOM 503 O GLY A 33 2.697 -17.162 4.563 1.00 0.00 O ATOM 0 H GLY A 33 0.048 -15.304 6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.244 -16.584 7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.239 -17.981 6.762 1.00 0.00 H new ATOM 507 N GLU A 34 0.690 -16.177 4.326 1.00 0.00 N ATOM 508 CA GLU A 34 0.851 -15.973 2.887 1.00 0.00 C ATOM 509 C GLU A 34 1.183 -14.518 2.584 1.00 0.00 C ATOM 510 O GLU A 34 0.921 -13.629 3.392 1.00 0.00 O ATOM 511 CB GLU A 34 -0.397 -16.411 2.111 1.00 0.00 C ATOM 512 CG GLU A 34 -1.705 -16.234 2.863 1.00 0.00 C ATOM 513 CD GLU A 34 -2.215 -14.810 2.820 1.00 0.00 C ATOM 514 OE1 GLU A 34 -1.407 -13.900 2.544 1.00 0.00 O ATOM 515 OE2 GLU A 34 -3.423 -14.603 3.058 1.00 0.00 O ATOM 0 H GLU A 34 -0.193 -15.837 4.707 1.00 0.00 H new ATOM 0 HA GLU A 34 1.682 -16.597 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.448 -15.844 1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.289 -17.461 1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.457 -16.898 2.437 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.566 -16.535 3.901 1.00 0.00 H new ATOM 522 N LYS A 35 1.781 -14.283 1.423 1.00 0.00 N ATOM 523 CA LYS A 35 2.168 -12.933 1.027 1.00 0.00 C ATOM 524 C LYS A 35 1.136 -12.284 0.109 1.00 0.00 C ATOM 525 O LYS A 35 0.394 -12.964 -0.606 1.00 0.00 O ATOM 526 CB LYS A 35 3.540 -12.952 0.344 1.00 0.00 C ATOM 527 CG LYS A 35 3.497 -13.372 -1.118 1.00 0.00 C ATOM 528 CD LYS A 35 4.728 -14.174 -1.505 1.00 0.00 C ATOM 529 CE LYS A 35 6.005 -13.371 -1.312 1.00 0.00 C ATOM 530 NZ LYS A 35 6.916 -13.484 -2.484 1.00 0.00 N ATOM 0 H LYS A 35 2.008 -15.006 0.741 1.00 0.00 H new ATOM 0 HA LYS A 35 2.222 -12.333 1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.983 -11.958 0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.196 -13.632 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.602 -13.967 -1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.425 -12.487 -1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.775 -15.082 -0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.647 -14.485 -2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.753 -12.323 -1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.521 -13.719 -0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.774 -12.922 -2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.177 -14.481 -2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.434 -13.128 -3.334 1.00 0.00 H new ATOM 544 N PHE A 36 1.112 -10.955 0.132 1.00 0.00 N ATOM 545 CA PHE A 36 0.193 -10.185 -0.699 1.00 0.00 C ATOM 546 C PHE A 36 0.317 -10.606 -2.158 1.00 0.00 C ATOM 547 O PHE A 36 -0.669 -10.636 -2.895 1.00 0.00 O ATOM 548 CB PHE A 36 0.462 -8.680 -0.568 1.00 0.00 C ATOM 549 CG PHE A 36 1.856 -8.338 -0.117 1.00 0.00 C ATOM 550 CD1 PHE A 36 2.941 -8.554 -0.951 1.00 0.00 C ATOM 551 CD2 PHE A 36 2.080 -7.806 1.142 1.00 0.00 C ATOM 552 CE1 PHE A 36 4.223 -8.244 -0.538 1.00 0.00 C ATOM 553 CE2 PHE A 36 3.359 -7.495 1.562 1.00 0.00 C ATOM 554 CZ PHE A 36 4.433 -7.714 0.721 1.00 0.00 C ATOM 0 H PHE A 36 1.722 -10.387 0.720 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.821 -10.387 -0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.277 -8.204 -1.531 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.251 -8.255 0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.783 -8.969 -1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.244 -7.632 1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.060 -8.416 -1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.519 -7.081 2.547 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.434 -7.472 1.046 1.00 0.00 H new ATOM 564 N GLY A 37 1.538 -10.939 -2.565 1.00 0.00 N ATOM 565 CA GLY A 37 1.776 -11.366 -3.931 1.00 0.00 C ATOM 566 C GLY A 37 0.867 -12.507 -4.335 1.00 0.00 C ATOM 567 O GLY A 37 0.446 -12.599 -5.487 1.00 0.00 O ATOM 0 H GLY A 37 2.368 -10.921 -1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.623 -10.524 -4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.816 -11.675 -4.038 1.00 0.00 H new ATOM 571 N LYS A 38 0.559 -13.374 -3.376 1.00 0.00 N ATOM 572 CA LYS A 38 -0.313 -14.511 -3.631 1.00 0.00 C ATOM 573 C LYS A 38 -1.744 -14.043 -3.860 1.00 0.00 C ATOM 574 O LYS A 38 -2.357 -14.371 -4.877 1.00 0.00 O ATOM 575 CB LYS A 38 -0.267 -15.491 -2.457 1.00 0.00 C ATOM 576 CG LYS A 38 0.955 -16.393 -2.462 1.00 0.00 C ATOM 577 CD LYS A 38 0.718 -17.659 -1.656 1.00 0.00 C ATOM 578 CE LYS A 38 -0.310 -18.562 -2.321 1.00 0.00 C ATOM 579 NZ LYS A 38 0.324 -19.747 -2.962 1.00 0.00 N ATOM 0 H LYS A 38 0.901 -13.310 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 38 0.039 -15.019 -4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.288 -14.928 -1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.164 -16.110 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.209 -16.657 -3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.808 -15.853 -2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.658 -18.199 -1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.378 -17.395 -0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.035 -18.895 -1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.860 -17.994 -3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.410 -20.337 -3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.997 -19.430 -3.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.828 -20.303 -2.242 1.00 0.00 H new ATOM 593 N LEU A 39 -2.269 -13.267 -2.914 1.00 0.00 N ATOM 594 CA LEU A 39 -3.630 -12.747 -3.014 1.00 0.00 C ATOM 595 C LEU A 39 -3.830 -12.010 -4.333 1.00 0.00 C ATOM 596 O LEU A 39 -4.920 -12.028 -4.903 1.00 0.00 O ATOM 597 CB LEU A 39 -3.945 -11.793 -1.858 1.00 0.00 C ATOM 598 CG LEU A 39 -3.966 -12.416 -0.455 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.847 -13.653 -0.422 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.559 -12.756 0.012 1.00 0.00 C ATOM 0 H LEU A 39 -1.772 -12.985 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.307 -13.600 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.208 -10.990 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.917 -11.336 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.385 -11.678 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.844 -14.075 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.866 -13.382 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.464 -14.391 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.603 -13.196 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.108 -13.468 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.956 -11.848 0.042 1.00 0.00 H new ATOM 612 N ALA A 40 -2.771 -11.362 -4.814 1.00 0.00 N ATOM 613 CA ALA A 40 -2.839 -10.609 -6.061 1.00 0.00 C ATOM 614 C ALA A 40 -3.415 -11.470 -7.178 1.00 0.00 C ATOM 615 O ALA A 40 -4.384 -11.092 -7.836 1.00 0.00 O ATOM 616 CB ALA A 40 -1.456 -10.103 -6.442 1.00 0.00 C ATOM 0 H ALA A 40 -1.858 -11.344 -4.359 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.499 -9.754 -5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.518 -9.542 -7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.076 -9.454 -5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.782 -10.950 -6.572 1.00 0.00 H new ATOM 622 N LYS A 41 -2.819 -12.633 -7.373 1.00 0.00 N ATOM 623 CA LYS A 41 -3.268 -13.568 -8.390 1.00 0.00 C ATOM 624 C LYS A 41 -4.381 -14.470 -7.859 1.00 0.00 C ATOM 625 O LYS A 41 -5.143 -15.051 -8.632 1.00 0.00 O ATOM 626 CB LYS A 41 -2.096 -14.421 -8.881 1.00 0.00 C ATOM 627 CG LYS A 41 -1.494 -15.307 -7.804 1.00 0.00 C ATOM 628 CD LYS A 41 -0.940 -16.599 -8.387 1.00 0.00 C ATOM 629 CE LYS A 41 -1.382 -17.812 -7.582 1.00 0.00 C ATOM 630 NZ LYS A 41 -2.269 -18.709 -8.375 1.00 0.00 N ATOM 0 H LYS A 41 -2.015 -12.955 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.665 -12.990 -9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.434 -15.047 -9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.320 -13.765 -9.275 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.698 -14.768 -7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.253 -15.540 -7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.274 -16.705 -9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.149 -16.552 -8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.505 -18.368 -7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.907 -17.482 -6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.549 -19.524 -7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.118 -18.186 -8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.760 -19.044 -9.217 1.00 0.00 H new ATOM 644 N GLU A 42 -4.437 -14.628 -6.535 1.00 0.00 N ATOM 645 CA GLU A 42 -5.422 -15.512 -5.912 1.00 0.00 C ATOM 646 C GLU A 42 -6.857 -14.971 -5.977 1.00 0.00 C ATOM 647 O GLU A 42 -7.692 -15.533 -6.684 1.00 0.00 O ATOM 648 CB GLU A 42 -5.015 -15.769 -4.457 1.00 0.00 C ATOM 649 CG GLU A 42 -4.632 -17.213 -4.183 1.00 0.00 C ATOM 650 CD GLU A 42 -4.905 -17.628 -2.751 1.00 0.00 C ATOM 651 OE1 GLU A 42 -6.034 -18.083 -2.469 1.00 0.00 O ATOM 652 OE2 GLU A 42 -3.990 -17.499 -1.910 1.00 0.00 O ATOM 0 H GLU A 42 -3.815 -14.158 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.427 -16.443 -6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.174 -15.124 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.840 -15.489 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.185 -17.866 -4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.573 -17.352 -4.402 1.00 0.00 H new ATOM 659 N LEU A 43 -7.152 -13.899 -5.242 1.00 0.00 N ATOM 660 CA LEU A 43 -8.508 -13.336 -5.251 1.00 0.00 C ATOM 661 C LEU A 43 -8.542 -11.891 -5.738 1.00 0.00 C ATOM 662 O LEU A 43 -9.616 -11.345 -5.989 1.00 0.00 O ATOM 663 CB LEU A 43 -9.160 -13.429 -3.866 1.00 0.00 C ATOM 664 CG LEU A 43 -8.258 -13.101 -2.675 1.00 0.00 C ATOM 665 CD1 LEU A 43 -7.286 -14.239 -2.416 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.515 -11.792 -2.904 1.00 0.00 C ATOM 0 H LEU A 43 -6.488 -13.409 -4.643 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.078 -13.939 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.016 -12.755 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.546 -14.440 -3.736 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.885 -12.980 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.652 -13.989 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.843 -15.151 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.665 -14.395 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.880 -11.579 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.898 -11.875 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.234 -10.983 -3.033 1.00 0.00 H new ATOM 678 N SER A 44 -7.379 -11.265 -5.854 1.00 0.00 N ATOM 679 CA SER A 44 -7.314 -9.876 -6.292 1.00 0.00 C ATOM 680 C SER A 44 -7.826 -9.720 -7.723 1.00 0.00 C ATOM 681 O SER A 44 -7.532 -10.538 -8.595 1.00 0.00 O ATOM 682 CB SER A 44 -5.877 -9.376 -6.192 1.00 0.00 C ATOM 683 OG SER A 44 -5.720 -8.484 -5.107 1.00 0.00 O ATOM 0 H SER A 44 -6.475 -11.692 -5.653 1.00 0.00 H new ATOM 0 HA SER A 44 -7.955 -9.281 -5.642 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.202 -10.223 -6.070 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.598 -8.877 -7.120 1.00 0.00 H new ATOM 0 HG SER A 44 -6.578 -8.054 -4.910 1.00 0.00 H new ATOM 689 N ILE A 45 -8.595 -8.656 -7.953 1.00 0.00 N ATOM 690 CA ILE A 45 -9.155 -8.374 -9.273 1.00 0.00 C ATOM 691 C ILE A 45 -8.404 -7.232 -9.952 1.00 0.00 C ATOM 692 O ILE A 45 -8.569 -6.992 -11.148 1.00 0.00 O ATOM 693 CB ILE A 45 -10.645 -7.996 -9.178 1.00 0.00 C ATOM 694 CG1 ILE A 45 -10.799 -6.761 -8.294 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.458 -9.159 -8.629 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.200 -6.206 -8.226 1.00 0.00 C ATOM 0 H ILE A 45 -8.845 -7.973 -7.238 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.050 -9.284 -9.864 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.022 -7.768 -10.175 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.472 -7.010 -7.285 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.131 -5.982 -8.662 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.508 -8.873 -8.569 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.354 -10.020 -9.289 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.096 -9.419 -7.634 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.214 -5.331 -7.576 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.527 -5.921 -9.226 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.873 -6.965 -7.827 1.00 0.00 H new ATOM 745 N ALA A 50 -1.585 -6.030 -10.656 1.00 0.00 N ATOM 746 CA ALA A 50 -1.584 -7.218 -9.808 1.00 0.00 C ATOM 747 C ALA A 50 -0.435 -8.153 -10.168 1.00 0.00 C ATOM 748 O ALA A 50 -0.038 -9.004 -9.371 1.00 0.00 O ATOM 749 CB ALA A 50 -2.910 -7.952 -9.923 1.00 0.00 C ATOM 0 HA ALA A 50 -1.446 -6.892 -8.777 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.893 -8.835 -9.285 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.719 -7.293 -9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.070 -8.255 -10.958 1.00 0.00 H new ATOM 755 N LYS A 51 0.083 -8.002 -11.383 1.00 0.00 N ATOM 756 CA LYS A 51 1.171 -8.843 -11.865 1.00 0.00 C ATOM 757 C LYS A 51 2.477 -8.585 -11.112 1.00 0.00 C ATOM 758 O LYS A 51 3.449 -9.317 -11.285 1.00 0.00 O ATOM 759 CB LYS A 51 1.375 -8.616 -13.362 1.00 0.00 C ATOM 760 CG LYS A 51 0.938 -9.797 -14.213 1.00 0.00 C ATOM 761 CD LYS A 51 0.075 -9.355 -15.385 1.00 0.00 C ATOM 762 CE LYS A 51 -1.311 -9.981 -15.330 1.00 0.00 C ATOM 763 NZ LYS A 51 -2.382 -8.975 -15.569 1.00 0.00 N ATOM 0 H LYS A 51 -0.235 -7.302 -12.053 1.00 0.00 H new ATOM 0 HA LYS A 51 0.892 -9.881 -11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.818 -7.731 -13.668 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.429 -8.411 -13.551 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.817 -10.322 -14.586 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.382 -10.504 -13.597 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.016 -8.269 -15.381 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.562 -9.631 -16.320 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.382 -10.772 -16.076 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.461 -10.447 -14.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.311 -9.440 -15.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.330 -8.233 -14.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.254 -8.548 -16.509 1.00 0.00 H new ATOM 777 N ARG A 52 2.499 -7.554 -10.270 1.00 0.00 N ATOM 778 CA ARG A 52 3.695 -7.237 -9.500 1.00 0.00 C ATOM 779 C ARG A 52 3.532 -7.674 -8.044 1.00 0.00 C ATOM 780 O ARG A 52 4.192 -7.149 -7.150 1.00 0.00 O ATOM 781 CB ARG A 52 4.010 -5.736 -9.582 1.00 0.00 C ATOM 782 CG ARG A 52 3.221 -4.874 -8.604 1.00 0.00 C ATOM 783 CD ARG A 52 3.457 -3.393 -8.853 1.00 0.00 C ATOM 784 NE ARG A 52 2.970 -2.974 -10.166 1.00 0.00 N ATOM 785 CZ ARG A 52 2.862 -1.703 -10.544 1.00 0.00 C ATOM 786 NH1 ARG A 52 3.204 -0.725 -9.715 1.00 0.00 N ATOM 787 NH2 ARG A 52 2.413 -1.408 -11.757 1.00 0.00 N ATOM 0 H ARG A 52 1.709 -6.930 -10.106 1.00 0.00 H new ATOM 0 HA ARG A 52 4.532 -7.787 -9.930 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.075 -5.590 -9.399 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.810 -5.390 -10.596 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.158 -5.095 -8.698 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.509 -5.123 -7.583 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.957 -2.811 -8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.523 -3.178 -8.776 1.00 0.00 H new ATOM 0 HE ARG A 52 2.697 -3.698 -10.831 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.552 -0.946 -8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.119 0.247 -10.011 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.151 -2.156 -12.399 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.330 -0.434 -12.047 1.00 0.00 H new ATOM 801 N ASP A 53 2.647 -8.646 -7.821 1.00 0.00 N ATOM 802 CA ASP A 53 2.387 -9.168 -6.481 1.00 0.00 C ATOM 803 C ASP A 53 1.609 -8.156 -5.632 1.00 0.00 C ATOM 804 O ASP A 53 1.494 -8.309 -4.417 1.00 0.00 O ATOM 805 CB ASP A 53 3.709 -9.578 -5.802 1.00 0.00 C ATOM 806 CG ASP A 53 4.100 -8.706 -4.619 1.00 0.00 C ATOM 807 OD1 ASP A 53 4.077 -7.465 -4.759 1.00 0.00 O ATOM 808 OD2 ASP A 53 4.430 -9.267 -3.552 1.00 0.00 O ATOM 0 H ASP A 53 2.096 -9.089 -8.556 1.00 0.00 H new ATOM 0 HA ASP A 53 1.763 -10.057 -6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.626 -10.611 -5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.509 -9.547 -6.542 1.00 0.00 H new ATOM 813 N GLY A 54 1.071 -7.129 -6.282 1.00 0.00 N ATOM 814 CA GLY A 54 0.313 -6.119 -5.568 1.00 0.00 C ATOM 815 C GLY A 54 1.205 -5.158 -4.805 1.00 0.00 C ATOM 816 O GLY A 54 0.740 -4.442 -3.918 1.00 0.00 O ATOM 0 H GLY A 54 1.146 -6.979 -7.288 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.298 -5.559 -6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.371 -6.606 -4.873 1.00 0.00 H new ATOM 820 N SER A 55 2.489 -5.139 -5.151 1.00 0.00 N ATOM 821 CA SER A 55 3.443 -4.258 -4.492 1.00 0.00 C ATOM 822 C SER A 55 3.248 -2.816 -4.943 1.00 0.00 C ATOM 823 O SER A 55 3.860 -2.369 -5.913 1.00 0.00 O ATOM 824 CB SER A 55 4.875 -4.706 -4.788 1.00 0.00 C ATOM 825 OG SER A 55 5.359 -5.576 -3.781 1.00 0.00 O ATOM 0 H SER A 55 2.891 -5.724 -5.884 1.00 0.00 H new ATOM 0 HA SER A 55 3.268 -4.313 -3.418 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.909 -5.210 -5.754 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.524 -3.833 -4.861 1.00 0.00 H new ATOM 0 HG SER A 55 5.265 -6.505 -4.079 1.00 0.00 H new ATOM 831 N LEU A 56 2.394 -2.091 -4.228 1.00 0.00 N ATOM 832 CA LEU A 56 2.120 -0.697 -4.553 1.00 0.00 C ATOM 833 C LEU A 56 3.410 0.117 -4.563 1.00 0.00 C ATOM 834 O LEU A 56 3.524 1.113 -5.278 1.00 0.00 O ATOM 835 CB LEU A 56 1.127 -0.103 -3.547 1.00 0.00 C ATOM 836 CG LEU A 56 -0.327 -0.567 -3.701 1.00 0.00 C ATOM 837 CD1 LEU A 56 -1.262 0.344 -2.920 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.735 -0.616 -5.170 1.00 0.00 C ATOM 0 H LEU A 56 1.881 -2.446 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 56 1.679 -0.657 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.464 -0.351 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.155 0.983 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.403 -1.576 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.289 0.000 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.993 0.322 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.174 1.364 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.770 -0.948 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.638 0.377 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.089 -1.312 -5.704 1.00 0.00 H new ATOM 850 N GLY A 57 4.383 -0.317 -3.769 1.00 0.00 N ATOM 851 CA GLY A 57 5.653 0.378 -3.706 1.00 0.00 C ATOM 852 C GLY A 57 5.531 1.752 -3.078 1.00 0.00 C ATOM 853 O GLY A 57 4.516 2.071 -2.462 1.00 0.00 O ATOM 0 H GLY A 57 4.314 -1.138 -3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.362 -0.219 -3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.060 0.477 -4.712 1.00 0.00 H new ATOM 857 N TYR A 58 6.574 2.564 -3.226 1.00 0.00 N ATOM 858 CA TYR A 58 6.579 3.908 -2.653 1.00 0.00 C ATOM 859 C TYR A 58 5.577 4.824 -3.343 1.00 0.00 C ATOM 860 O TYR A 58 5.700 5.121 -4.532 1.00 0.00 O ATOM 861 CB TYR A 58 7.972 4.561 -2.718 1.00 0.00 C ATOM 862 CG TYR A 58 9.099 3.625 -3.104 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.416 3.402 -4.439 1.00 0.00 C ATOM 864 CD2 TYR A 58 9.845 2.969 -2.133 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.444 2.549 -4.794 1.00 0.00 C ATOM 866 CE2 TYR A 58 10.876 2.116 -2.481 1.00 0.00 C ATOM 867 CZ TYR A 58 11.172 1.909 -3.812 1.00 0.00 C ATOM 868 OH TYR A 58 12.197 1.061 -4.162 1.00 0.00 O ATOM 0 H TYR A 58 7.423 2.317 -3.735 1.00 0.00 H new ATOM 0 HA TYR A 58 6.293 3.784 -1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.939 5.381 -3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.199 4.997 -1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.850 3.903 -5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.616 3.128 -1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.676 2.384 -5.836 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.447 1.614 -1.714 1.00 0.00 H new ATOM 0 HH TYR A 58 12.608 0.693 -3.352 1.00 0.00 H new ATOM 878 N PHE A 59 4.617 5.309 -2.569 1.00 0.00 N ATOM 879 CA PHE A 59 3.621 6.241 -3.069 1.00 0.00 C ATOM 880 C PHE A 59 3.511 7.410 -2.107 1.00 0.00 C ATOM 881 O PHE A 59 3.748 7.263 -0.909 1.00 0.00 O ATOM 882 CB PHE A 59 2.253 5.587 -3.238 1.00 0.00 C ATOM 883 CG PHE A 59 2.153 4.672 -4.428 1.00 0.00 C ATOM 884 CD1 PHE A 59 2.797 4.980 -5.618 1.00 0.00 C ATOM 885 CD2 PHE A 59 1.407 3.508 -4.359 1.00 0.00 C ATOM 886 CE1 PHE A 59 2.700 4.143 -6.712 1.00 0.00 C ATOM 887 CE2 PHE A 59 1.305 2.667 -5.451 1.00 0.00 C ATOM 888 CZ PHE A 59 1.953 2.985 -6.628 1.00 0.00 C ATOM 0 H PHE A 59 4.508 5.069 -1.584 1.00 0.00 H new ATOM 0 HA PHE A 59 3.943 6.582 -4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.019 5.020 -2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.498 6.368 -3.329 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.381 5.885 -5.689 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.899 3.254 -3.441 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.208 4.394 -7.632 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.719 1.762 -5.384 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.876 2.329 -7.482 1.00 0.00 H new ATOM 898 N GLY A 60 3.164 8.561 -2.637 1.00 0.00 N ATOM 899 CA GLY A 60 3.046 9.745 -1.811 1.00 0.00 C ATOM 900 C GLY A 60 1.621 10.259 -1.730 1.00 0.00 C ATOM 901 O GLY A 60 0.696 9.622 -2.234 1.00 0.00 O ATOM 0 H GLY A 60 2.960 8.704 -3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.405 9.520 -0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.689 10.529 -2.212 1.00 0.00 H new ATOM 905 N ARG A 61 1.445 11.414 -1.095 1.00 0.00 N ATOM 906 CA ARG A 61 0.130 12.013 -0.950 1.00 0.00 C ATOM 907 C ARG A 61 -0.299 12.651 -2.258 1.00 0.00 C ATOM 908 O ARG A 61 -0.159 13.859 -2.451 1.00 0.00 O ATOM 909 CB ARG A 61 0.139 13.058 0.166 1.00 0.00 C ATOM 910 CG ARG A 61 0.342 12.465 1.551 1.00 0.00 C ATOM 911 CD ARG A 61 1.183 13.377 2.430 1.00 0.00 C ATOM 912 NE ARG A 61 1.935 12.627 3.434 1.00 0.00 N ATOM 913 CZ ARG A 61 1.377 12.026 4.483 1.00 0.00 C ATOM 914 NH1 ARG A 61 0.065 12.082 4.668 1.00 0.00 N ATOM 915 NH2 ARG A 61 2.136 11.366 5.348 1.00 0.00 N ATOM 0 H ARG A 61 2.202 11.952 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.582 11.230 -0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.931 13.781 -0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.804 13.605 0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.627 12.297 2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.827 11.493 1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.875 13.944 1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.536 14.100 2.927 1.00 0.00 H new ATOM 0 HE ARG A 61 2.947 12.560 3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.522 12.587 4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.357 11.620 5.473 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.145 11.320 5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.710 10.905 6.152 1.00 0.00 H new ATOM 929 N GLY A 62 -0.818 11.829 -3.156 1.00 0.00 N ATOM 930 CA GLY A 62 -1.256 12.330 -4.439 1.00 0.00 C ATOM 931 C GLY A 62 -1.076 11.323 -5.560 1.00 0.00 C ATOM 932 O GLY A 62 -0.742 11.694 -6.686 1.00 0.00 O ATOM 0 H GLY A 62 -0.943 10.826 -3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.308 12.610 -4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.699 13.236 -4.679 1.00 0.00 H new ATOM 936 N LYS A 63 -1.295 10.046 -5.257 1.00 0.00 N ATOM 937 CA LYS A 63 -1.153 8.990 -6.253 1.00 0.00 C ATOM 938 C LYS A 63 -2.325 8.013 -6.194 1.00 0.00 C ATOM 939 O LYS A 63 -2.921 7.681 -7.218 1.00 0.00 O ATOM 940 CB LYS A 63 0.162 8.238 -6.044 1.00 0.00 C ATOM 941 CG LYS A 63 1.390 9.134 -6.105 1.00 0.00 C ATOM 942 CD LYS A 63 2.418 8.608 -7.095 1.00 0.00 C ATOM 943 CE LYS A 63 3.594 9.560 -7.234 1.00 0.00 C ATOM 944 NZ LYS A 63 4.758 9.130 -6.412 1.00 0.00 N ATOM 0 H LYS A 63 -1.571 9.719 -4.331 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.147 9.458 -7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.135 7.737 -5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.251 7.461 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.091 10.143 -6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.840 9.204 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.775 7.632 -6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.948 8.464 -8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.891 9.619 -8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.287 10.562 -6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.539 9.806 -6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.482 9.098 -5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.067 8.185 -6.716 1.00 0.00 H new ATOM 958 N MET A 64 -2.650 7.554 -4.988 1.00 0.00 N ATOM 959 CA MET A 64 -3.750 6.614 -4.801 1.00 0.00 C ATOM 960 C MET A 64 -5.024 7.336 -4.376 1.00 0.00 C ATOM 961 O MET A 64 -5.001 8.527 -4.064 1.00 0.00 O ATOM 962 CB MET A 64 -3.379 5.556 -3.760 1.00 0.00 C ATOM 963 CG MET A 64 -2.722 6.129 -2.515 1.00 0.00 C ATOM 964 SD MET A 64 -0.952 5.790 -2.440 1.00 0.00 S ATOM 965 CE MET A 64 -0.949 4.174 -1.666 1.00 0.00 C ATOM 0 H MET A 64 -2.168 7.817 -4.128 1.00 0.00 H new ATOM 0 HA MET A 64 -3.935 6.124 -5.757 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.279 5.014 -3.469 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.704 4.831 -4.216 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.882 7.207 -2.488 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.205 5.713 -1.631 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.079 3.843 -1.518 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.454 4.232 -0.702 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.471 3.463 -2.307 1.00 0.00 H new ATOM 975 N VAL A 65 -6.138 6.607 -4.364 1.00 0.00 N ATOM 976 CA VAL A 65 -7.422 7.179 -3.976 1.00 0.00 C ATOM 977 C VAL A 65 -7.351 7.778 -2.571 1.00 0.00 C ATOM 978 O VAL A 65 -6.461 7.445 -1.790 1.00 0.00 O ATOM 979 CB VAL A 65 -8.548 6.125 -4.035 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.689 5.568 -5.445 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.288 5.006 -3.041 1.00 0.00 C ATOM 0 H VAL A 65 -6.176 5.620 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.651 7.971 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.485 6.612 -3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.488 4.827 -5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.928 6.378 -6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.752 5.100 -5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.093 4.274 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.340 4.522 -3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.244 5.418 -2.033 1.00 0.00 H new ATOM 991 N LYS A 66 -8.282 8.676 -2.267 1.00 0.00 N ATOM 992 CA LYS A 66 -8.317 9.341 -0.966 1.00 0.00 C ATOM 993 C LYS A 66 -8.527 8.364 0.195 1.00 0.00 C ATOM 994 O LYS A 66 -7.814 8.432 1.197 1.00 0.00 O ATOM 995 CB LYS A 66 -9.419 10.401 -0.952 1.00 0.00 C ATOM 996 CG LYS A 66 -9.121 11.579 -0.035 1.00 0.00 C ATOM 997 CD LYS A 66 -9.237 12.907 -0.769 1.00 0.00 C ATOM 998 CE LYS A 66 -10.075 13.906 0.013 1.00 0.00 C ATOM 999 NZ LYS A 66 -10.958 14.708 -0.876 1.00 0.00 N ATOM 0 H LYS A 66 -9.025 8.962 -2.905 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.343 9.808 -0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.569 10.770 -1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.354 9.936 -0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.812 11.568 0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.116 11.476 0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.242 13.319 -0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.685 12.744 -1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.683 13.375 0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.418 14.574 0.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.512 15.377 -0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.377 15.235 -1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.603 14.073 -1.388 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.509 7.449 0.095 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.784 6.488 1.165 1.00 0.00 C ATOM 1015 C PRO A 67 -8.627 5.530 1.384 1.00 0.00 C ATOM 1016 O PRO A 67 -8.297 5.180 2.517 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.021 5.725 0.682 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.127 5.990 -0.781 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.420 7.289 -1.049 1.00 0.00 C ATOM 0 HA PRO A 67 -9.935 6.989 2.121 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.921 4.657 0.878 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.916 6.063 1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.674 5.180 -1.353 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.172 6.050 -1.087 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.873 7.257 -1.992 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.124 8.119 -1.116 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.014 5.110 0.290 1.00 0.00 N ATOM 1028 CA PHE A 68 -6.885 4.187 0.353 1.00 0.00 C ATOM 1029 C PHE A 68 -5.626 4.906 0.823 1.00 0.00 C ATOM 1030 O PHE A 68 -4.966 4.467 1.767 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.639 3.542 -1.012 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.771 2.317 -0.955 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -4.397 2.435 -0.832 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -6.330 1.052 -1.030 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -3.594 1.311 -0.783 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -5.532 -0.076 -0.983 1.00 0.00 C ATOM 1037 CZ PHE A 68 -4.162 0.054 -0.859 1.00 0.00 C ATOM 0 H PHE A 68 -8.277 5.392 -0.655 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.130 3.405 1.072 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.598 3.276 -1.456 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.174 4.275 -1.672 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.948 3.415 -0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.400 0.946 -1.126 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.523 1.415 -0.685 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.979 -1.057 -1.043 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.536 -0.826 -0.822 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.300 6.015 0.165 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.119 6.793 0.521 1.00 0.00 C ATOM 1049 C GLU A 69 -4.165 7.200 1.990 1.00 0.00 C ATOM 1050 O GLU A 69 -3.131 7.308 2.648 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.024 8.038 -0.362 1.00 0.00 C ATOM 1052 CG GLU A 69 -2.621 8.616 -0.450 1.00 0.00 C ATOM 1053 CD GLU A 69 -2.455 9.875 0.379 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.392 10.699 0.400 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -1.388 10.034 1.006 1.00 0.00 O ATOM 0 H GLU A 69 -5.836 6.394 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.237 6.172 0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.369 7.789 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.699 8.801 0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.902 7.868 -0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.388 8.838 -1.491 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.373 7.418 2.495 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.562 7.809 3.885 1.00 0.00 C ATOM 1064 C ASP A 70 -5.102 6.701 4.829 1.00 0.00 C ATOM 1065 O ASP A 70 -4.302 6.936 5.735 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.033 8.142 4.148 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.305 9.633 4.094 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -7.135 10.303 5.133 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -7.688 10.128 3.014 1.00 0.00 O ATOM 0 H ASP A 70 -6.238 7.330 1.961 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.957 8.696 4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.655 7.635 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.321 7.758 5.127 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.612 5.494 4.610 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.256 4.348 5.440 1.00 0.00 C ATOM 1076 C ALA A 71 -3.854 3.832 5.117 1.00 0.00 C ATOM 1077 O ALA A 71 -3.302 3.016 5.853 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.280 3.239 5.270 1.00 0.00 C ATOM 0 H ALA A 71 -6.274 5.283 3.864 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.255 4.677 6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.003 2.389 5.894 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.263 3.603 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.309 2.928 4.226 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.286 4.308 4.011 1.00 0.00 N ATOM 1085 CA ALA A 72 -1.953 3.884 3.596 1.00 0.00 C ATOM 1086 C ALA A 72 -0.902 4.247 4.642 1.00 0.00 C ATOM 1087 O ALA A 72 -0.078 3.415 5.023 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.598 4.505 2.253 1.00 0.00 C ATOM 0 H ALA A 72 -3.727 4.985 3.389 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.962 2.799 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.601 4.181 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.322 4.188 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.616 5.591 2.338 1.00 0.00 H new ATOM 1094 N PHE A 73 -0.934 5.494 5.097 1.00 0.00 N ATOM 1095 CA PHE A 73 0.018 5.972 6.096 1.00 0.00 C ATOM 1096 C PHE A 73 -0.539 5.826 7.510 1.00 0.00 C ATOM 1097 O PHE A 73 -0.036 6.444 8.448 1.00 0.00 O ATOM 1098 CB PHE A 73 0.373 7.437 5.830 1.00 0.00 C ATOM 1099 CG PHE A 73 -0.823 8.301 5.553 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -1.705 8.629 6.567 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -1.066 8.777 4.275 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -2.810 9.420 6.314 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.170 9.566 4.015 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.042 9.888 5.035 1.00 0.00 C ATOM 0 H PHE A 73 -1.609 6.194 4.790 1.00 0.00 H new ATOM 0 HA PHE A 73 0.917 5.360 6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.908 7.836 6.692 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.054 7.489 4.981 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.528 8.263 7.568 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.386 8.529 3.474 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.490 9.672 7.114 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.350 9.930 3.014 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.905 10.505 4.834 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.580 5.011 7.662 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.194 4.799 8.965 1.00 0.00 C ATOM 1116 C ARG A 74 -1.681 3.515 9.603 1.00 0.00 C ATOM 1117 O ARG A 74 -1.632 3.393 10.828 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.717 4.743 8.832 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.455 5.365 10.008 1.00 0.00 C ATOM 1120 CD ARG A 74 -5.000 6.743 9.662 1.00 0.00 C ATOM 1121 NE ARG A 74 -4.382 7.793 10.468 1.00 0.00 N ATOM 1122 CZ ARG A 74 -4.721 8.058 11.728 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -5.673 7.355 12.328 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -4.107 9.029 12.389 1.00 0.00 N ATOM 0 H ARG A 74 -2.013 4.489 6.900 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.924 5.637 9.607 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.012 5.256 7.916 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.026 3.703 8.729 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.276 4.714 10.309 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.781 5.443 10.861 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.826 6.947 8.605 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.079 6.755 9.816 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.647 8.357 10.040 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.149 6.607 11.824 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.929 7.562 13.293 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.375 9.573 11.932 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.367 9.232 13.354 1.00 0.00 H new ATOM 1138 N LEU A 75 -1.301 2.558 8.764 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.795 1.280 9.247 1.00 0.00 C ATOM 1140 C LEU A 75 0.720 1.200 9.116 1.00 0.00 C ATOM 1141 O LEU A 75 1.251 0.346 8.404 1.00 0.00 O ATOM 1142 CB LEU A 75 -1.445 0.129 8.480 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.901 -0.178 8.843 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -3.175 -1.650 8.635 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.216 0.215 10.281 1.00 0.00 C ATOM 0 H LEU A 75 -1.334 2.643 7.748 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.050 1.198 10.303 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.396 0.354 7.415 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.852 -0.771 8.643 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.545 0.412 8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.211 -1.867 8.894 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.000 -1.909 7.591 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.512 -2.237 9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.258 -0.018 10.502 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.568 -0.340 10.960 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.048 1.284 10.411 1.00 0.00 H new ATOM 1157 N GLN A 76 1.412 2.079 9.825 1.00 0.00 N ATOM 1158 CA GLN A 76 2.866 2.092 9.807 1.00 0.00 C ATOM 1159 C GLN A 76 3.410 0.858 10.521 1.00 0.00 C ATOM 1160 O GLN A 76 4.565 0.474 10.335 1.00 0.00 O ATOM 1161 CB GLN A 76 3.396 3.365 10.468 1.00 0.00 C ATOM 1162 CG GLN A 76 3.465 4.554 9.522 1.00 0.00 C ATOM 1163 CD GLN A 76 4.667 5.440 9.787 1.00 0.00 C ATOM 1164 OE1 GLN A 76 4.868 5.915 10.904 1.00 0.00 O ATOM 1165 NE2 GLN A 76 5.474 5.668 8.756 1.00 0.00 N ATOM 0 H GLN A 76 0.990 2.792 10.420 1.00 0.00 H new ATOM 0 HA GLN A 76 3.203 2.075 8.771 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.757 3.620 11.313 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.391 3.170 10.868 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.503 4.194 8.494 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.554 5.145 9.619 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.269 5.254 7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.298 6.257 8.874 1.00 0.00 H new ATOM 1174 N VAL A 77 2.555 0.234 11.328 1.00 0.00 N ATOM 1175 CA VAL A 77 2.923 -0.968 12.064 1.00 0.00 C ATOM 1176 C VAL A 77 3.218 -2.114 11.103 1.00 0.00 C ATOM 1177 O VAL A 77 3.978 -3.029 11.422 1.00 0.00 O ATOM 1178 CB VAL A 77 1.796 -1.395 13.035 1.00 0.00 C ATOM 1179 CG1 VAL A 77 0.441 -1.348 12.340 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.057 -2.785 13.608 1.00 0.00 C ATOM 0 H VAL A 77 1.597 0.545 11.488 1.00 0.00 H new ATOM 0 HA VAL A 77 3.818 -0.738 12.642 1.00 0.00 H new ATOM 0 HB VAL A 77 1.784 -0.688 13.864 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.338 -1.652 13.040 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.244 -0.333 11.996 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.446 -2.026 11.486 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.248 -3.057 14.286 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.108 -3.510 12.795 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.001 -2.783 14.152 1.00 0.00 H new ATOM 1190 N GLY A 78 2.602 -2.062 9.926 1.00 0.00 N ATOM 1191 CA GLY A 78 2.801 -3.103 8.943 1.00 0.00 C ATOM 1192 C GLY A 78 1.724 -4.150 9.015 1.00 0.00 C ATOM 1193 O GLY A 78 2.002 -5.332 9.218 1.00 0.00 O ATOM 0 H GLY A 78 1.969 -1.316 9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.815 -2.664 7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.773 -3.570 9.099 1.00 0.00 H new ATOM 1197 N GLU A 79 0.490 -3.711 8.875 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.642 -4.611 8.953 1.00 0.00 C ATOM 1199 C GLU A 79 -1.681 -4.268 7.905 1.00 0.00 C ATOM 1200 O GLU A 79 -1.546 -3.282 7.180 1.00 0.00 O ATOM 1201 CB GLU A 79 -1.253 -4.506 10.342 1.00 0.00 C ATOM 1202 CG GLU A 79 -1.994 -5.749 10.792 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.489 -5.531 10.909 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.899 -4.408 11.276 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -4.252 -6.479 10.634 1.00 0.00 O ATOM 0 H GLU A 79 0.245 -2.735 8.706 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.302 -5.630 8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.461 -4.289 11.059 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.940 -3.660 10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.803 -6.556 10.085 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.602 -6.071 11.757 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.729 -5.075 7.833 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.789 -4.832 6.878 1.00 0.00 C ATOM 1214 C VAL A 80 -4.786 -3.828 7.447 1.00 0.00 C ATOM 1215 O VAL A 80 -5.001 -3.778 8.656 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.520 -6.131 6.485 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.606 -5.845 5.457 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.533 -7.158 5.952 1.00 0.00 C ATOM 0 H VAL A 80 -2.864 -5.897 8.422 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.331 -4.424 5.977 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.994 -6.542 7.376 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.110 -6.774 5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.330 -5.146 5.877 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.157 -5.409 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.067 -8.068 5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.029 -6.756 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.795 -7.386 6.721 1.00 0.00 H new ATOM 1228 N SER A 81 -5.382 -3.018 6.577 1.00 0.00 N ATOM 1229 CA SER A 81 -6.333 -2.005 7.019 1.00 0.00 C ATOM 1230 C SER A 81 -7.767 -2.412 6.703 1.00 0.00 C ATOM 1231 O SER A 81 -8.012 -3.327 5.918 1.00 0.00 O ATOM 1232 CB SER A 81 -6.016 -0.661 6.363 1.00 0.00 C ATOM 1233 OG SER A 81 -6.143 0.403 7.291 1.00 0.00 O ATOM 0 H SER A 81 -5.225 -3.043 5.570 1.00 0.00 H new ATOM 0 HA SER A 81 -6.239 -1.910 8.101 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.003 -0.679 5.962 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.689 -0.496 5.522 1.00 0.00 H new ATOM 0 HG SER A 81 -6.885 0.216 7.903 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.711 -1.730 7.347 1.00 0.00 N ATOM 1240 CA GLU A 82 -10.131 -2.013 7.174 1.00 0.00 C ATOM 1241 C GLU A 82 -10.529 -2.063 5.699 1.00 0.00 C ATOM 1242 O GLU A 82 -9.891 -1.446 4.843 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.967 -0.957 7.898 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.696 -0.885 9.393 1.00 0.00 C ATOM 1245 CD GLU A 82 -9.824 0.296 9.770 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -8.587 0.193 9.620 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -10.375 1.323 10.217 1.00 0.00 O ATOM 0 H GLU A 82 -8.514 -0.971 7.999 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.323 -2.996 7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.769 0.018 7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.024 -1.171 7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.644 -0.818 9.928 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.212 -1.807 9.716 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.604 -2.800 5.385 1.00 0.00 N ATOM 1255 CA PRO A 83 -12.090 -2.922 4.012 1.00 0.00 C ATOM 1256 C PRO A 83 -12.475 -1.571 3.426 1.00 0.00 C ATOM 1257 O PRO A 83 -13.514 -1.007 3.766 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.323 -3.829 4.136 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.710 -3.766 5.573 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.431 -3.561 6.334 1.00 0.00 C ATOM 0 HA PRO A 83 -11.328 -3.323 3.343 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.133 -3.482 3.494 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.092 -4.851 3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.408 -2.949 5.754 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.207 -4.685 5.884 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.595 -3.009 7.260 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.966 -4.509 6.606 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.626 -1.059 2.547 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.870 0.230 1.909 1.00 0.00 C ATOM 1270 C VAL A 84 -12.405 0.034 0.496 1.00 0.00 C ATOM 1271 O VAL A 84 -11.651 -0.266 -0.428 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.584 1.077 1.834 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.863 2.424 1.187 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.973 1.263 3.212 1.00 0.00 C ATOM 0 H VAL A 84 -10.761 -1.515 2.258 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.606 0.754 2.519 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.865 0.541 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.942 3.005 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.242 2.271 0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.605 2.963 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.067 1.864 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.687 1.769 3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.725 0.289 3.635 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.713 0.203 0.339 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.347 0.038 -0.961 1.00 0.00 C ATOM 1286 C LYS A 85 -14.430 1.361 -1.709 1.00 0.00 C ATOM 1287 O LYS A 85 -15.160 2.270 -1.312 1.00 0.00 O ATOM 1288 CB LYS A 85 -15.749 -0.553 -0.796 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.441 -0.856 -2.115 1.00 0.00 C ATOM 1290 CD LYS A 85 -17.447 0.224 -2.477 1.00 0.00 C ATOM 1291 CE LYS A 85 -18.691 -0.367 -3.121 1.00 0.00 C ATOM 1292 NZ LYS A 85 -19.500 0.667 -3.823 1.00 0.00 N ATOM 0 H LYS A 85 -14.352 0.453 1.094 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.733 -0.647 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.681 -1.471 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.363 0.143 -0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.696 -0.941 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -16.947 -1.819 -2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -17.728 0.777 -1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.986 0.938 -3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -18.399 -1.142 -3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -19.301 -0.848 -2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -20.339 0.222 -4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -19.801 1.394 -3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -18.926 1.109 -4.570 1.00 0.00 H new ATOM 1306 N SER A 86 -13.685 1.453 -2.804 1.00 0.00 N ATOM 1307 CA SER A 86 -13.678 2.656 -3.626 1.00 0.00 C ATOM 1308 C SER A 86 -14.529 2.444 -4.875 1.00 0.00 C ATOM 1309 O SER A 86 -15.222 1.434 -4.998 1.00 0.00 O ATOM 1310 CB SER A 86 -12.247 3.023 -4.020 1.00 0.00 C ATOM 1311 OG SER A 86 -11.753 4.083 -3.219 1.00 0.00 O ATOM 0 H SER A 86 -13.077 0.707 -3.143 1.00 0.00 H new ATOM 0 HA SER A 86 -14.101 3.476 -3.046 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.602 2.151 -3.913 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.219 3.313 -5.070 1.00 0.00 H new ATOM 0 HG SER A 86 -11.232 4.698 -3.776 1.00 0.00 H new ATOM 1317 N GLU A 87 -14.473 3.396 -5.798 1.00 0.00 N ATOM 1318 CA GLU A 87 -15.237 3.299 -7.035 1.00 0.00 C ATOM 1319 C GLU A 87 -14.826 2.069 -7.844 1.00 0.00 C ATOM 1320 O GLU A 87 -15.538 1.653 -8.758 1.00 0.00 O ATOM 1321 CB GLU A 87 -15.047 4.563 -7.875 1.00 0.00 C ATOM 1322 CG GLU A 87 -13.595 4.994 -8.008 1.00 0.00 C ATOM 1323 CD GLU A 87 -13.364 6.421 -7.548 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -14.161 7.304 -7.928 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -12.385 6.653 -6.810 1.00 0.00 O ATOM 0 H GLU A 87 -13.908 4.241 -5.714 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.290 3.198 -6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.459 4.393 -8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.619 5.376 -7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.966 4.322 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.285 4.897 -9.049 1.00 0.00 H new ATOM 1332 N PHE A 88 -13.671 1.495 -7.510 1.00 0.00 N ATOM 1333 CA PHE A 88 -13.168 0.322 -8.215 1.00 0.00 C ATOM 1334 C PHE A 88 -13.576 -0.975 -7.515 1.00 0.00 C ATOM 1335 O PHE A 88 -13.936 -1.954 -8.169 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.643 0.397 -8.330 1.00 0.00 C ATOM 1337 CG PHE A 88 -11.168 0.976 -9.632 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -11.009 0.169 -10.747 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -10.879 2.327 -9.738 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -10.571 0.700 -11.945 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -10.443 2.864 -10.934 1.00 0.00 C ATOM 1342 CZ PHE A 88 -10.288 2.049 -12.040 1.00 0.00 C ATOM 0 H PHE A 88 -13.068 1.824 -6.756 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.610 0.316 -9.211 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.254 1.000 -7.510 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.228 -0.604 -8.214 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.230 -0.886 -10.679 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.996 2.967 -8.876 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.450 0.061 -12.807 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.224 3.919 -11.005 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.947 2.466 -12.976 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.514 -0.982 -6.185 1.00 0.00 N ATOM 1353 CA GLY A 89 -13.876 -2.173 -5.433 1.00 0.00 C ATOM 1354 C GLY A 89 -13.392 -2.132 -4.002 1.00 0.00 C ATOM 1355 O GLY A 89 -12.857 -1.121 -3.546 1.00 0.00 O ATOM 0 H GLY A 89 -13.221 -0.188 -5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -14.960 -2.287 -5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.459 -3.050 -5.928 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.583 -3.236 -3.290 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.169 -3.333 -1.905 1.00 0.00 C ATOM 1361 C TYR A 90 -11.661 -3.542 -1.815 1.00 0.00 C ATOM 1362 O TYR A 90 -11.159 -4.652 -1.990 1.00 0.00 O ATOM 1363 CB TYR A 90 -13.937 -4.464 -1.230 1.00 0.00 C ATOM 1364 CG TYR A 90 -15.071 -3.966 -0.362 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -14.838 -3.498 0.924 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -16.375 -3.947 -0.842 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -15.875 -3.031 1.711 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -17.416 -3.479 -0.062 1.00 0.00 C ATOM 1369 CZ TYR A 90 -17.160 -3.022 1.212 1.00 0.00 C ATOM 1370 OH TYR A 90 -18.194 -2.556 1.991 1.00 0.00 O ATOM 0 H TYR A 90 -14.025 -4.079 -3.656 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.397 -2.403 -1.385 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.336 -5.132 -1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.250 -5.051 -0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -13.832 -3.499 1.316 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -16.579 -4.304 -1.841 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -15.679 -2.675 2.712 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -18.424 -3.472 -0.449 1.00 0.00 H new ATOM 0 HH TYR A 90 -19.034 -2.617 1.490 1.00 0.00 H new ATOM 1380 N HIS A 91 -10.947 -2.445 -1.572 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.490 -2.464 -1.493 1.00 0.00 C ATOM 1382 C HIS A 91 -8.980 -3.004 -0.159 1.00 0.00 C ATOM 1383 O HIS A 91 -9.739 -3.186 0.794 1.00 0.00 O ATOM 1384 CB HIS A 91 -8.945 -1.050 -1.710 1.00 0.00 C ATOM 1385 CG HIS A 91 -8.961 -0.610 -3.140 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -10.106 -0.205 -3.792 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -7.958 -0.503 -4.046 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -9.810 0.130 -5.035 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -8.514 -0.042 -5.214 1.00 0.00 N ATOM 0 H HIS A 91 -11.360 -1.524 -1.425 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.135 -3.136 -2.274 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.533 -0.349 -1.117 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.922 -1.004 -1.337 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.038 -0.169 -3.379 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.917 -0.737 -3.880 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.509 0.484 -5.778 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.672 -3.241 -0.116 1.00 0.00 N ATOM 1399 CA VAL A 92 -6.993 -3.744 1.073 1.00 0.00 C ATOM 1400 C VAL A 92 -5.547 -3.255 1.075 1.00 0.00 C ATOM 1401 O VAL A 92 -4.846 -3.393 0.074 1.00 0.00 O ATOM 1402 CB VAL A 92 -7.011 -5.282 1.130 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.435 -5.775 2.448 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.425 -5.806 0.929 1.00 0.00 C ATOM 0 H VAL A 92 -7.050 -3.088 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.523 -3.368 1.948 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.387 -5.665 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.456 -6.865 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.406 -5.430 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.030 -5.384 3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.419 -6.895 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.073 -5.415 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.798 -5.484 -0.043 1.00 0.00 H new ATOM 1414 N ILE A 93 -5.112 -2.657 2.180 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.752 -2.121 2.262 1.00 0.00 C ATOM 1416 C ILE A 93 -2.871 -2.899 3.232 1.00 0.00 C ATOM 1417 O ILE A 93 -3.180 -3.013 4.417 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.747 -0.633 2.682 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -5.143 -0.019 2.517 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.712 0.137 1.867 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.196 1.469 2.790 1.00 0.00 C ATOM 0 H ILE A 93 -5.672 -2.531 3.023 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.342 -2.222 1.257 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.476 -0.567 3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.493 -0.205 1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.834 -0.527 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.716 1.184 2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.723 -0.287 2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.957 0.065 0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.216 1.828 2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.878 1.662 3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.532 1.989 2.100 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.754 -3.398 2.716 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.788 -4.137 3.522 1.00 0.00 C ATOM 1435 C LYS A 94 0.604 -3.542 3.320 1.00 0.00 C ATOM 1436 O LYS A 94 1.145 -3.572 2.216 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.794 -5.620 3.149 1.00 0.00 C ATOM 1438 CG LYS A 94 0.226 -6.447 3.916 1.00 0.00 C ATOM 1439 CD LYS A 94 0.068 -6.276 5.418 1.00 0.00 C ATOM 1440 CE LYS A 94 0.845 -7.333 6.185 1.00 0.00 C ATOM 1441 NZ LYS A 94 2.315 -7.187 6.000 1.00 0.00 N ATOM 0 H LYS A 94 -1.493 -3.303 1.735 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.066 -4.054 4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.789 -6.027 3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.599 -5.718 2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.113 -7.499 3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.232 -6.151 3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.414 -5.285 5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.988 -6.336 5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.604 -7.262 7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.534 -8.324 5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.808 -7.927 6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.549 -7.280 4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.616 -6.252 6.340 1.00 0.00 H new ATOM 1455 N ARG A 95 1.168 -2.978 4.381 1.00 0.00 N ATOM 1456 CA ARG A 95 2.483 -2.348 4.303 1.00 0.00 C ATOM 1457 C ARG A 95 3.556 -3.318 3.835 1.00 0.00 C ATOM 1458 O ARG A 95 3.642 -4.455 4.301 1.00 0.00 O ATOM 1459 CB ARG A 95 2.874 -1.763 5.659 1.00 0.00 C ATOM 1460 CG ARG A 95 3.673 -0.472 5.559 1.00 0.00 C ATOM 1461 CD ARG A 95 5.083 -0.634 6.109 1.00 0.00 C ATOM 1462 NE ARG A 95 5.335 0.259 7.237 1.00 0.00 N ATOM 1463 CZ ARG A 95 5.676 1.540 7.108 1.00 0.00 C ATOM 1464 NH1 ARG A 95 5.801 2.082 5.902 1.00 0.00 N ATOM 1465 NH2 ARG A 95 5.887 2.281 8.186 1.00 0.00 N ATOM 0 H ARG A 95 0.737 -2.943 5.305 1.00 0.00 H new ATOM 0 HA ARG A 95 2.412 -1.548 3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.970 -1.577 6.239 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.459 -2.501 6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.724 -0.156 4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.158 0.317 6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.233 -1.667 6.423 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.806 -0.433 5.319 1.00 0.00 H new ATOM 0 HE ARG A 95 5.244 -0.121 8.179 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.636 1.517 5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.062 3.064 5.809 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.788 1.870 9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.148 3.262 8.087 1.00 0.00 H new ATOM 1479 N LEU A 96 4.381 -2.841 2.910 1.00 0.00 N ATOM 1480 CA LEU A 96 5.461 -3.617 2.358 1.00 0.00 C ATOM 1481 C LEU A 96 6.494 -2.697 1.708 1.00 0.00 C ATOM 1482 O LEU A 96 6.207 -1.999 0.736 1.00 0.00 O ATOM 1483 CB LEU A 96 4.910 -4.620 1.344 1.00 0.00 C ATOM 1484 CG LEU A 96 5.053 -4.234 -0.134 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.471 -4.500 -0.622 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.039 -4.989 -0.979 1.00 0.00 C ATOM 0 H LEU A 96 4.311 -1.899 2.526 1.00 0.00 H new ATOM 0 HA LEU A 96 5.955 -4.168 3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.412 -5.575 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.853 -4.777 1.557 1.00 0.00 H new ATOM 0 HG LEU A 96 4.855 -3.167 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.553 -4.220 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.175 -3.911 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.702 -5.559 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.153 -4.704 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.205 -6.061 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.031 -4.743 -0.644 1.00 0.00 H new ATOM 1498 N GLY A 97 7.693 -2.707 2.252 1.00 0.00 N ATOM 1499 CA GLY A 97 8.758 -1.882 1.718 1.00 0.00 C ATOM 1500 C GLY A 97 10.134 -2.392 2.098 1.00 0.00 C ATOM 1501 O GLY A 97 10.926 -2.702 1.184 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.420 -2.482 3.311 1.00 0.00 O ATOM 0 H GLY A 97 7.954 -3.273 3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.675 -1.845 0.632 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.639 -0.861 2.081 1.00 0.00 H new