USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 542 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 26 SER OG : rot -84:sc= 1.07 USER MOD Set 1.2: A 32 MET CE :methyl 146:sc= -0.504 (180deg=-0.888) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= -0.826 USER MOD Set 2.2: A 16 GLN :FLIP amide:sc= 0.372 F(o=-3,f=-2.2) USER MOD Set 2.3: A 60 CYS SG : rot 180:sc= -1.78 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.593 K(o=0.59,f=-0.13) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -110:sc= -1.16 USER MOD Single : A 36 LYS NZ :NH3+ 147:sc= -0.516 (180deg=-1.82!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.47 X(o=-0.47,f=-0.3) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-4!) USER MOD Single : A 59 LYS NZ :NH3+ 135:sc= -0.282 (180deg=-0.353) USER MOD Single : A 65 SER OG : rot 60:sc= 1.17 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -7.47! C(o=-7.5!,f=-11!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N THR A 13 -17.781 -6.745 -6.785 1.00 0.00 N ATOM 130 CA THR A 13 -17.326 -7.297 -8.055 1.00 0.00 C ATOM 131 C THR A 13 -16.289 -8.393 -7.838 1.00 0.00 C ATOM 132 O THR A 13 -15.566 -8.390 -6.841 1.00 0.00 O ATOM 133 CB THR A 13 -16.720 -6.205 -8.956 1.00 0.00 C ATOM 134 OG1 THR A 13 -15.604 -5.591 -8.301 1.00 0.00 O ATOM 135 CG2 THR A 13 -17.759 -5.147 -9.297 1.00 0.00 C ATOM 0 HA THR A 13 -18.201 -7.721 -8.547 1.00 0.00 H new ATOM 0 HB THR A 13 -16.384 -6.674 -9.881 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.224 -4.899 -8.882 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.308 -4.386 -9.934 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.593 -5.612 -9.822 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.121 -4.684 -8.379 1.00 0.00 H new ATOM 143 N LYS A 14 -16.221 -9.331 -8.777 1.00 0.00 N ATOM 144 CA LYS A 14 -15.271 -10.433 -8.690 1.00 0.00 C ATOM 145 C LYS A 14 -13.867 -9.920 -8.388 1.00 0.00 C ATOM 146 O LYS A 14 -13.141 -10.507 -7.587 1.00 0.00 O ATOM 147 CB LYS A 14 -15.264 -11.231 -9.996 1.00 0.00 C ATOM 148 CG LYS A 14 -16.614 -11.829 -10.351 1.00 0.00 C ATOM 149 CD LYS A 14 -16.811 -13.189 -9.703 1.00 0.00 C ATOM 150 CE LYS A 14 -18.212 -13.727 -9.949 1.00 0.00 C ATOM 151 NZ LYS A 14 -18.336 -14.357 -11.293 1.00 0.00 N ATOM 0 H LYS A 14 -16.813 -9.350 -9.607 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.583 -11.085 -7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.940 -10.580 -10.808 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.530 -12.033 -9.918 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.407 -11.154 -10.030 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -16.696 -11.926 -11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.076 -13.891 -10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.633 -13.111 -8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.460 -14.459 -9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.934 -12.915 -9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -19.305 -14.711 -11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.124 -13.652 -12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.665 -15.148 -11.369 1.00 0.00 H new ATOM 165 N GLU A 15 -13.492 -8.820 -9.035 1.00 0.00 N ATOM 166 CA GLU A 15 -12.175 -8.228 -8.834 1.00 0.00 C ATOM 167 C GLU A 15 -11.897 -8.009 -7.349 1.00 0.00 C ATOM 168 O GLU A 15 -10.940 -8.553 -6.800 1.00 0.00 O ATOM 169 CB GLU A 15 -12.069 -6.899 -9.585 1.00 0.00 C ATOM 170 CG GLU A 15 -11.553 -7.043 -11.007 1.00 0.00 C ATOM 171 CD GLU A 15 -12.307 -8.095 -11.797 1.00 0.00 C ATOM 172 OE1 GLU A 15 -12.180 -9.292 -11.465 1.00 0.00 O ATOM 173 OE2 GLU A 15 -13.026 -7.720 -12.747 1.00 0.00 O ATOM 0 H GLU A 15 -14.081 -8.322 -9.702 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.430 -8.920 -9.227 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.051 -6.426 -9.610 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.407 -6.231 -9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.633 -6.083 -11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.495 -7.303 -10.981 1.00 0.00 H new ATOM 180 N GLN A 16 -12.742 -7.208 -6.707 1.00 0.00 N ATOM 181 CA GLN A 16 -12.587 -6.917 -5.287 1.00 0.00 C ATOM 182 C GLN A 16 -12.408 -8.201 -4.484 1.00 0.00 C ATOM 183 O GLN A 16 -11.347 -8.443 -3.910 1.00 0.00 O ATOM 184 CB GLN A 16 -13.800 -6.142 -4.769 1.00 0.00 C ATOM 185 CG GLN A 16 -14.059 -4.845 -5.518 1.00 0.00 C ATOM 186 CD GLN A 16 -15.232 -4.068 -4.953 1.00 0.00 C ATOM 187 OE1 GLN A 16 -14.945 -2.928 -4.335 1.00 0.00 O flip ATOM 188 NE2 GLN A 16 -16.384 -4.488 -5.070 1.00 0.00 N flip ATOM 0 H GLN A 16 -13.540 -6.750 -7.147 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.693 -6.305 -5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.684 -6.776 -4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.654 -5.918 -3.712 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.164 -4.223 -5.480 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.248 -5.068 -6.568 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.559 -5.369 -5.553 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.163 -3.954 -4.684 1.00 0.00 H new ATOM 197 N ALA A 17 -13.454 -9.020 -4.446 1.00 0.00 N ATOM 198 CA ALA A 17 -13.411 -10.280 -3.715 1.00 0.00 C ATOM 199 C ALA A 17 -12.121 -11.040 -4.004 1.00 0.00 C ATOM 200 O ALA A 17 -11.432 -11.485 -3.086 1.00 0.00 O ATOM 201 CB ALA A 17 -14.620 -11.135 -4.066 1.00 0.00 C ATOM 0 H ALA A 17 -14.341 -8.833 -4.913 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.436 -10.054 -2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.575 -12.073 -3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.533 -10.601 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.620 -11.344 -5.136 1.00 0.00 H new ATOM 207 N ASP A 18 -11.801 -11.185 -5.285 1.00 0.00 N ATOM 208 CA ASP A 18 -10.593 -11.891 -5.696 1.00 0.00 C ATOM 209 C ASP A 18 -9.356 -11.269 -5.056 1.00 0.00 C ATOM 210 O ASP A 18 -8.340 -11.938 -4.866 1.00 0.00 O ATOM 211 CB ASP A 18 -10.458 -11.872 -7.219 1.00 0.00 C ATOM 212 CG ASP A 18 -11.324 -12.920 -7.890 1.00 0.00 C ATOM 213 OD1 ASP A 18 -12.461 -13.138 -7.424 1.00 0.00 O ATOM 214 OD2 ASP A 18 -10.863 -13.522 -8.883 1.00 0.00 O ATOM 0 H ASP A 18 -12.361 -10.823 -6.057 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.674 -12.925 -5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.731 -10.885 -7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.416 -12.038 -7.491 1.00 0.00 H new ATOM 219 N ALA A 19 -9.449 -9.985 -4.725 1.00 0.00 N ATOM 220 CA ALA A 19 -8.338 -9.273 -4.106 1.00 0.00 C ATOM 221 C ALA A 19 -8.199 -9.647 -2.634 1.00 0.00 C ATOM 222 O ALA A 19 -7.101 -9.935 -2.158 1.00 0.00 O ATOM 223 CB ALA A 19 -8.524 -7.771 -4.256 1.00 0.00 C ATOM 0 H ALA A 19 -10.283 -9.417 -4.875 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.421 -9.566 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.687 -7.252 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.566 -7.513 -5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.453 -7.469 -3.772 1.00 0.00 H new ATOM 229 N ILE A 20 -9.319 -9.639 -1.918 1.00 0.00 N ATOM 230 CA ILE A 20 -9.321 -9.978 -0.501 1.00 0.00 C ATOM 231 C ILE A 20 -8.967 -11.445 -0.285 1.00 0.00 C ATOM 232 O ILE A 20 -8.180 -11.781 0.600 1.00 0.00 O ATOM 233 CB ILE A 20 -10.690 -9.691 0.144 1.00 0.00 C ATOM 234 CG1 ILE A 20 -11.023 -8.201 0.047 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.698 -10.147 1.596 1.00 0.00 C ATOM 236 CD1 ILE A 20 -11.814 -7.839 -1.190 1.00 0.00 C ATOM 0 H ILE A 20 -10.236 -9.401 -2.296 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.566 -9.352 -0.026 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.453 -10.250 -0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.589 -7.905 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.096 -7.628 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.672 -9.937 2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.502 -11.218 1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.926 -9.612 2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.014 -6.768 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.241 -8.104 -2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.758 -8.385 -1.191 1.00 0.00 H new ATOM 248 N ARG A 21 -9.552 -12.315 -1.102 1.00 0.00 N ATOM 249 CA ARG A 21 -9.298 -13.747 -1.001 1.00 0.00 C ATOM 250 C ARG A 21 -7.811 -14.048 -1.162 1.00 0.00 C ATOM 251 O ARG A 21 -7.312 -15.053 -0.654 1.00 0.00 O ATOM 252 CB ARG A 21 -10.100 -14.505 -2.061 1.00 0.00 C ATOM 253 CG ARG A 21 -9.373 -14.649 -3.388 1.00 0.00 C ATOM 254 CD ARG A 21 -10.250 -15.319 -4.434 1.00 0.00 C ATOM 255 NE ARG A 21 -9.592 -15.392 -5.735 1.00 0.00 N ATOM 256 CZ ARG A 21 -8.592 -16.223 -6.008 1.00 0.00 C ATOM 257 NH1 ARG A 21 -8.139 -17.048 -5.075 1.00 0.00 N ATOM 258 NH2 ARG A 21 -8.045 -16.230 -7.217 1.00 0.00 N ATOM 0 H ARG A 21 -10.205 -12.053 -1.841 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.613 -14.077 -0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.343 -15.497 -1.680 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.045 -13.988 -2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.066 -13.666 -3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.464 -15.234 -3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.507 -16.325 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.185 -14.767 -4.531 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.918 -14.771 -6.475 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.558 -17.046 -4.145 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.371 -17.685 -5.287 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.392 -15.597 -7.938 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.277 -16.868 -7.426 1.00 0.00 H new ATOM 272 N ARG A 22 -7.109 -13.172 -1.873 1.00 0.00 N ATOM 273 CA ARG A 22 -5.679 -13.344 -2.103 1.00 0.00 C ATOM 274 C ARG A 22 -4.872 -12.825 -0.917 1.00 0.00 C ATOM 275 O ARG A 22 -3.968 -13.501 -0.425 1.00 0.00 O ATOM 276 CB ARG A 22 -5.255 -12.618 -3.380 1.00 0.00 C ATOM 277 CG ARG A 22 -5.507 -13.418 -4.648 1.00 0.00 C ATOM 278 CD ARG A 22 -4.773 -12.821 -5.838 1.00 0.00 C ATOM 279 NE ARG A 22 -5.434 -13.135 -7.102 1.00 0.00 N ATOM 280 CZ ARG A 22 -6.451 -12.435 -7.594 1.00 0.00 C ATOM 281 NH1 ARG A 22 -6.920 -11.388 -6.931 1.00 0.00 N ATOM 282 NH2 ARG A 22 -6.999 -12.783 -8.751 1.00 0.00 N ATOM 0 H ARG A 22 -7.507 -12.336 -2.300 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.480 -14.410 -2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.792 -11.672 -3.445 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.193 -12.379 -3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.184 -14.448 -4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.577 -13.446 -4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.711 -11.739 -5.720 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.751 -13.198 -5.860 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.097 -13.936 -7.637 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.500 -11.118 -6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.701 -10.852 -7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.640 -13.588 -9.264 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.779 -12.245 -9.128 1.00 0.00 H new ATOM 296 N ILE A 23 -5.203 -11.620 -0.464 1.00 0.00 N ATOM 297 CA ILE A 23 -4.509 -11.011 0.663 1.00 0.00 C ATOM 298 C ILE A 23 -4.479 -11.951 1.863 1.00 0.00 C ATOM 299 O ILE A 23 -3.464 -12.063 2.552 1.00 0.00 O ATOM 300 CB ILE A 23 -5.171 -9.685 1.082 1.00 0.00 C ATOM 301 CG1 ILE A 23 -5.038 -8.648 -0.036 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.549 -9.165 2.369 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.689 -7.322 0.289 1.00 0.00 C ATOM 0 H ILE A 23 -5.948 -11.047 -0.861 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.489 -10.811 0.334 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.231 -9.866 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.981 -8.483 -0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.483 -9.049 -0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.028 -8.227 2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.690 -9.898 3.163 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.483 -8.996 2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.555 -6.636 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.754 -7.473 0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.228 -6.899 1.182 1.00 0.00 H new ATOM 315 N ARG A 24 -5.597 -12.627 2.107 1.00 0.00 N ATOM 316 CA ARG A 24 -5.698 -13.559 3.224 1.00 0.00 C ATOM 317 C ARG A 24 -4.919 -14.839 2.936 1.00 0.00 C ATOM 318 O ARG A 24 -4.395 -15.477 3.848 1.00 0.00 O ATOM 319 CB ARG A 24 -7.164 -13.894 3.506 1.00 0.00 C ATOM 320 CG ARG A 24 -7.896 -14.477 2.308 1.00 0.00 C ATOM 321 CD ARG A 24 -9.404 -14.439 2.505 1.00 0.00 C ATOM 322 NE ARG A 24 -10.081 -15.489 1.749 1.00 0.00 N ATOM 323 CZ ARG A 24 -11.275 -15.974 2.071 1.00 0.00 C ATOM 324 NH1 ARG A 24 -11.921 -15.504 3.129 1.00 0.00 N ATOM 325 NH2 ARG A 24 -11.826 -16.929 1.333 1.00 0.00 N ATOM 0 H ARG A 24 -6.445 -12.547 1.546 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.266 -13.081 4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.214 -14.603 4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.679 -12.990 3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.631 -13.918 1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.574 -15.506 2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.634 -14.549 3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.786 -13.466 2.196 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.611 -15.871 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.501 -14.768 3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.838 -15.878 3.374 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.333 -17.292 0.517 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.743 -17.300 1.581 1.00 0.00 H new ATOM 339 N ASN A 25 -4.848 -15.209 1.661 1.00 0.00 N ATOM 340 CA ASN A 25 -4.135 -16.413 1.253 1.00 0.00 C ATOM 341 C ASN A 25 -2.760 -16.067 0.690 1.00 0.00 C ATOM 342 O ASN A 25 -2.131 -16.881 0.014 1.00 0.00 O ATOM 343 CB ASN A 25 -4.947 -17.183 0.209 1.00 0.00 C ATOM 344 CG ASN A 25 -6.144 -17.890 0.815 1.00 0.00 C ATOM 345 OD1 ASN A 25 -6.010 -18.658 1.768 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.324 -17.633 0.262 1.00 0.00 N ATOM 0 H ASN A 25 -5.276 -14.692 0.893 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.000 -17.041 2.134 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.288 -16.493 -0.563 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.304 -17.916 -0.279 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.166 -18.079 0.626 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.388 -16.989 -0.527 1.00 0.00 H new ATOM 353 N SER A 26 -2.300 -14.852 0.973 1.00 0.00 N ATOM 354 CA SER A 26 -1.001 -14.396 0.492 1.00 0.00 C ATOM 355 C SER A 26 0.124 -14.930 1.374 1.00 0.00 C ATOM 356 O SER A 26 0.033 -14.903 2.601 1.00 0.00 O ATOM 357 CB SER A 26 -0.954 -12.867 0.457 1.00 0.00 C ATOM 358 OG SER A 26 -0.845 -12.331 1.765 1.00 0.00 O ATOM 0 H SER A 26 -2.807 -14.166 1.532 1.00 0.00 H new ATOM 0 HA SER A 26 -0.861 -14.780 -0.518 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.107 -12.540 -0.146 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.854 -12.483 -0.023 1.00 0.00 H new ATOM 0 HG SER A 26 -1.736 -12.270 2.169 1.00 0.00 H new ATOM 364 N LYS A 27 1.184 -15.417 0.739 1.00 0.00 N ATOM 365 CA LYS A 27 2.329 -15.958 1.463 1.00 0.00 C ATOM 366 C LYS A 27 3.415 -14.901 1.631 1.00 0.00 C ATOM 367 O LYS A 27 4.478 -15.173 2.189 1.00 0.00 O ATOM 368 CB LYS A 27 2.895 -17.175 0.728 1.00 0.00 C ATOM 369 CG LYS A 27 2.272 -18.491 1.161 1.00 0.00 C ATOM 370 CD LYS A 27 3.140 -19.674 0.768 1.00 0.00 C ATOM 371 CE LYS A 27 2.357 -20.978 0.808 1.00 0.00 C ATOM 372 NZ LYS A 27 2.193 -21.484 2.199 1.00 0.00 N ATOM 0 H LYS A 27 1.275 -15.448 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 27 1.990 -16.265 2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.742 -17.045 -0.343 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.971 -17.220 0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.127 -18.488 2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.286 -18.595 0.707 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.537 -19.518 -0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.994 -19.740 1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.376 -20.826 0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.870 -21.728 0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.654 -22.374 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.129 -21.653 2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.681 -20.779 2.767 1.00 0.00 H new ATOM 386 N ASP A 28 3.141 -13.695 1.145 1.00 0.00 N ATOM 387 CA ASP A 28 4.095 -12.596 1.243 1.00 0.00 C ATOM 388 C ASP A 28 3.435 -11.270 0.880 1.00 0.00 C ATOM 389 O ASP A 28 2.270 -11.233 0.483 1.00 0.00 O ATOM 390 CB ASP A 28 5.294 -12.850 0.329 1.00 0.00 C ATOM 391 CG ASP A 28 6.333 -13.747 0.973 1.00 0.00 C ATOM 392 OD1 ASP A 28 6.789 -13.421 2.089 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.690 -14.776 0.361 1.00 0.00 O ATOM 0 H ASP A 28 2.266 -13.454 0.679 1.00 0.00 H new ATOM 0 HA ASP A 28 4.441 -12.539 2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.949 -13.306 -0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.754 -11.898 0.065 1.00 0.00 H new ATOM 398 N SER A 29 4.187 -10.182 1.019 1.00 0.00 N ATOM 399 CA SER A 29 3.673 -8.853 0.710 1.00 0.00 C ATOM 400 C SER A 29 3.597 -8.637 -0.798 1.00 0.00 C ATOM 401 O SER A 29 2.621 -8.088 -1.309 1.00 0.00 O ATOM 402 CB SER A 29 4.559 -7.780 1.347 1.00 0.00 C ATOM 403 OG SER A 29 5.918 -7.961 0.987 1.00 0.00 O ATOM 0 H SER A 29 5.154 -10.195 1.344 1.00 0.00 H new ATOM 0 HA SER A 29 2.667 -8.775 1.121 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.224 -6.792 1.030 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.459 -7.818 2.432 1.00 0.00 H new ATOM 0 HG SER A 29 6.427 -8.256 1.770 1.00 0.00 H new ATOM 409 N TRP A 30 4.634 -9.073 -1.504 1.00 0.00 N ATOM 410 CA TRP A 30 4.686 -8.927 -2.955 1.00 0.00 C ATOM 411 C TRP A 30 3.405 -9.442 -3.600 1.00 0.00 C ATOM 412 O TRP A 30 2.978 -8.942 -4.640 1.00 0.00 O ATOM 413 CB TRP A 30 5.894 -9.677 -3.520 1.00 0.00 C ATOM 414 CG TRP A 30 7.155 -9.440 -2.747 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.981 -10.389 -2.214 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.734 -8.172 -2.417 1.00 0.00 C ATOM 417 NE1 TRP A 30 9.037 -9.788 -1.574 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.909 -8.429 -1.685 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.374 -6.846 -2.672 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.724 -7.407 -1.205 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.184 -5.833 -2.194 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.348 -6.118 -1.468 1.00 0.00 C ATOM 0 H TRP A 30 5.450 -9.530 -1.096 1.00 0.00 H new ATOM 0 HA TRP A 30 4.785 -7.866 -3.186 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.677 -10.745 -3.529 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.049 -9.374 -4.556 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.826 -11.455 -2.286 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.794 -10.275 -1.094 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.479 -6.617 -3.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.621 -7.624 -0.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.915 -4.804 -2.383 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.960 -5.304 -1.109 1.00 0.00 H new ATOM 433 N ASP A 31 2.795 -10.444 -2.976 1.00 0.00 N ATOM 434 CA ASP A 31 1.560 -11.026 -3.489 1.00 0.00 C ATOM 435 C ASP A 31 0.373 -10.106 -3.223 1.00 0.00 C ATOM 436 O ASP A 31 -0.480 -9.911 -4.088 1.00 0.00 O ATOM 437 CB ASP A 31 1.313 -12.395 -2.853 1.00 0.00 C ATOM 438 CG ASP A 31 0.540 -13.327 -3.765 1.00 0.00 C ATOM 439 OD1 ASP A 31 -0.398 -12.853 -4.439 1.00 0.00 O ATOM 440 OD2 ASP A 31 0.873 -14.530 -3.805 1.00 0.00 O ATOM 0 H ASP A 31 3.136 -10.870 -2.114 1.00 0.00 H new ATOM 0 HA ASP A 31 1.666 -11.149 -4.567 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.269 -12.852 -2.598 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.763 -12.265 -1.921 1.00 0.00 H new ATOM 445 N MET A 32 0.326 -9.544 -2.019 1.00 0.00 N ATOM 446 CA MET A 32 -0.756 -8.643 -1.639 1.00 0.00 C ATOM 447 C MET A 32 -0.794 -7.422 -2.552 1.00 0.00 C ATOM 448 O MET A 32 -1.746 -7.230 -3.309 1.00 0.00 O ATOM 449 CB MET A 32 -0.593 -8.202 -0.183 1.00 0.00 C ATOM 450 CG MET A 32 -1.258 -9.137 0.814 1.00 0.00 C ATOM 451 SD MET A 32 -0.963 -8.651 2.525 1.00 0.00 S ATOM 452 CE MET A 32 0.390 -9.741 2.959 1.00 0.00 C ATOM 0 H MET A 32 1.024 -9.697 -1.291 1.00 0.00 H new ATOM 0 HA MET A 32 -1.698 -9.182 -1.745 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.470 -8.132 0.050 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.011 -7.202 -0.066 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.332 -9.158 0.626 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.887 -10.150 0.659 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.059 -9.232 3.653 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.005 -10.641 3.430 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.941 -10.014 2.059 1.00 0.00 H new ATOM 462 N LEU A 33 0.246 -6.600 -2.476 1.00 0.00 N ATOM 463 CA LEU A 33 0.332 -5.396 -3.296 1.00 0.00 C ATOM 464 C LEU A 33 0.479 -5.752 -4.772 1.00 0.00 C ATOM 465 O LEU A 33 0.036 -5.009 -5.647 1.00 0.00 O ATOM 466 CB LEU A 33 1.513 -4.533 -2.848 1.00 0.00 C ATOM 467 CG LEU A 33 1.560 -4.180 -1.361 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.819 -3.391 -1.039 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.320 -3.395 -0.959 1.00 0.00 C ATOM 0 H LEU A 33 1.042 -6.745 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.592 -4.832 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.436 -5.052 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.498 -3.606 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 33 1.580 -5.107 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.835 -3.149 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.696 -3.988 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.830 -2.470 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.371 -3.153 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.268 -2.474 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.569 -3.995 -1.152 1.00 0.00 H new ATOM 481 N GLY A 34 1.102 -6.896 -5.040 1.00 0.00 N ATOM 482 CA GLY A 34 1.294 -7.331 -6.411 1.00 0.00 C ATOM 483 C GLY A 34 2.478 -6.656 -7.074 1.00 0.00 C ATOM 484 O GLY A 34 2.427 -6.315 -8.256 1.00 0.00 O ATOM 0 H GLY A 34 1.477 -7.528 -4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.439 -8.411 -6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.392 -7.121 -6.985 1.00 0.00 H new ATOM 488 N VAL A 35 3.549 -6.460 -6.311 1.00 0.00 N ATOM 489 CA VAL A 35 4.751 -5.821 -6.831 1.00 0.00 C ATOM 490 C VAL A 35 5.983 -6.685 -6.587 1.00 0.00 C ATOM 491 O VAL A 35 6.052 -7.424 -5.605 1.00 0.00 O ATOM 492 CB VAL A 35 4.973 -4.438 -6.190 1.00 0.00 C ATOM 493 CG1 VAL A 35 3.902 -3.459 -6.647 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.991 -4.551 -4.673 1.00 0.00 C ATOM 0 H VAL A 35 3.608 -6.735 -5.331 1.00 0.00 H new ATOM 0 HA VAL A 35 4.604 -5.697 -7.904 1.00 0.00 H new ATOM 0 HB VAL A 35 5.941 -4.058 -6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.075 -2.488 -6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.942 -3.356 -7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.920 -3.831 -6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.149 -3.565 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.039 -4.953 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.798 -5.216 -4.367 1.00 0.00 H new ATOM 504 N LYS A 36 6.955 -6.588 -7.487 1.00 0.00 N ATOM 505 CA LYS A 36 8.187 -7.359 -7.370 1.00 0.00 C ATOM 506 C LYS A 36 8.952 -6.975 -6.108 1.00 0.00 C ATOM 507 O LYS A 36 8.837 -5.860 -5.599 1.00 0.00 O ATOM 508 CB LYS A 36 9.069 -7.139 -8.601 1.00 0.00 C ATOM 509 CG LYS A 36 9.828 -5.824 -8.579 1.00 0.00 C ATOM 510 CD LYS A 36 9.080 -4.736 -9.332 1.00 0.00 C ATOM 511 CE LYS A 36 9.319 -4.831 -10.831 1.00 0.00 C ATOM 512 NZ LYS A 36 8.317 -5.708 -11.498 1.00 0.00 N ATOM 0 H LYS A 36 6.913 -5.982 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 36 7.921 -8.414 -7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.783 -7.959 -8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.446 -7.174 -9.495 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.986 -5.511 -7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.813 -5.964 -9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.013 -4.818 -9.127 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.400 -3.758 -8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.278 -3.834 -11.269 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.321 -5.219 -11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.127 -5.351 -12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.689 -6.678 -11.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.435 -5.708 -10.947 1.00 0.00 H new ATOM 526 N PRO A 37 9.754 -7.917 -5.591 1.00 0.00 N ATOM 527 CA PRO A 37 10.555 -7.699 -4.383 1.00 0.00 C ATOM 528 C PRO A 37 11.698 -6.716 -4.615 1.00 0.00 C ATOM 529 O PRO A 37 12.448 -6.392 -3.695 1.00 0.00 O ATOM 530 CB PRO A 37 11.105 -9.092 -4.065 1.00 0.00 C ATOM 531 CG PRO A 37 11.116 -9.803 -5.375 1.00 0.00 C ATOM 532 CD PRO A 37 9.940 -9.269 -6.145 1.00 0.00 C ATOM 0 HA PRO A 37 9.965 -7.264 -3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.106 -9.034 -3.637 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.478 -9.609 -3.339 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.048 -9.621 -5.910 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.034 -10.881 -5.235 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.141 -9.240 -7.216 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.053 -9.887 -6.003 1.00 0.00 H new ATOM 540 N GLY A 38 11.824 -6.244 -5.851 1.00 0.00 N ATOM 541 CA GLY A 38 12.878 -5.302 -6.181 1.00 0.00 C ATOM 542 C GLY A 38 12.337 -3.943 -6.579 1.00 0.00 C ATOM 543 O GLY A 38 12.955 -3.227 -7.367 1.00 0.00 O ATOM 0 H GLY A 38 11.216 -6.497 -6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.541 -5.189 -5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.478 -5.704 -6.997 1.00 0.00 H new ATOM 547 N ALA A 39 11.179 -3.586 -6.033 1.00 0.00 N ATOM 548 CA ALA A 39 10.555 -2.304 -6.335 1.00 0.00 C ATOM 549 C ALA A 39 11.060 -1.213 -5.397 1.00 0.00 C ATOM 550 O ALA A 39 11.860 -1.475 -4.499 1.00 0.00 O ATOM 551 CB ALA A 39 9.040 -2.420 -6.246 1.00 0.00 C ATOM 0 H ALA A 39 10.654 -4.167 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 39 10.828 -2.026 -7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.587 -1.455 -6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.689 -3.164 -6.962 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.757 -2.725 -5.238 1.00 0.00 H new ATOM 557 N SER A 40 10.588 0.011 -5.611 1.00 0.00 N ATOM 558 CA SER A 40 10.996 1.143 -4.787 1.00 0.00 C ATOM 559 C SER A 40 9.795 1.755 -4.072 1.00 0.00 C ATOM 560 O SER A 40 8.648 1.405 -4.352 1.00 0.00 O ATOM 561 CB SER A 40 11.688 2.203 -5.646 1.00 0.00 C ATOM 562 OG SER A 40 10.879 2.574 -6.748 1.00 0.00 O ATOM 0 H SER A 40 9.923 0.244 -6.348 1.00 0.00 H new ATOM 0 HA SER A 40 11.698 0.780 -4.036 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.906 3.082 -5.039 1.00 0.00 H new ATOM 0 HB3 SER A 40 12.643 1.818 -6.005 1.00 0.00 H new ATOM 0 HG SER A 40 11.343 3.254 -7.280 1.00 0.00 H new ATOM 568 N ARG A 41 10.068 2.671 -3.149 1.00 0.00 N ATOM 569 CA ARG A 41 9.011 3.332 -2.393 1.00 0.00 C ATOM 570 C ARG A 41 7.904 3.824 -3.321 1.00 0.00 C ATOM 571 O ARG A 41 6.719 3.666 -3.029 1.00 0.00 O ATOM 572 CB ARG A 41 9.582 4.506 -1.596 1.00 0.00 C ATOM 573 CG ARG A 41 8.603 5.097 -0.595 1.00 0.00 C ATOM 574 CD ARG A 41 8.719 4.422 0.763 1.00 0.00 C ATOM 575 NE ARG A 41 9.823 4.964 1.551 1.00 0.00 N ATOM 576 CZ ARG A 41 9.736 6.077 2.270 1.00 0.00 C ATOM 577 NH1 ARG A 41 8.602 6.763 2.301 1.00 0.00 N ATOM 578 NH2 ARG A 41 10.785 6.507 2.960 1.00 0.00 N ATOM 0 H ARG A 41 11.012 2.972 -2.907 1.00 0.00 H new ATOM 0 HA ARG A 41 8.585 2.605 -1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.475 4.174 -1.066 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.895 5.287 -2.289 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.790 6.165 -0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.586 4.988 -0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.786 4.549 1.312 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.864 3.351 0.624 1.00 0.00 H new ATOM 0 HE ARG A 41 10.710 4.460 1.549 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.794 6.436 1.772 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.538 7.618 2.854 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.659 5.982 2.938 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.717 7.362 3.512 1.00 0.00 H new ATOM 592 N ASP A 42 8.300 4.422 -4.440 1.00 0.00 N ATOM 593 CA ASP A 42 7.343 4.937 -5.412 1.00 0.00 C ATOM 594 C ASP A 42 6.446 3.819 -5.936 1.00 0.00 C ATOM 595 O ASP A 42 5.239 4.000 -6.090 1.00 0.00 O ATOM 596 CB ASP A 42 8.075 5.608 -6.574 1.00 0.00 C ATOM 597 CG ASP A 42 7.142 5.976 -7.711 1.00 0.00 C ATOM 598 OD1 ASP A 42 6.607 5.054 -8.361 1.00 0.00 O ATOM 599 OD2 ASP A 42 6.947 7.186 -7.952 1.00 0.00 O ATOM 0 H ASP A 42 9.277 4.562 -4.696 1.00 0.00 H new ATOM 0 HA ASP A 42 6.717 5.676 -4.912 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.576 6.507 -6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.850 4.938 -6.946 1.00 0.00 H new ATOM 604 N GLU A 43 7.047 2.665 -6.210 1.00 0.00 N ATOM 605 CA GLU A 43 6.302 1.519 -6.719 1.00 0.00 C ATOM 606 C GLU A 43 5.276 1.039 -5.697 1.00 0.00 C ATOM 607 O GLU A 43 4.073 1.041 -5.959 1.00 0.00 O ATOM 608 CB GLU A 43 7.258 0.378 -7.073 1.00 0.00 C ATOM 609 CG GLU A 43 7.853 0.493 -8.467 1.00 0.00 C ATOM 610 CD GLU A 43 6.794 0.536 -9.551 1.00 0.00 C ATOM 611 OE1 GLU A 43 5.918 -0.353 -9.561 1.00 0.00 O ATOM 612 OE2 GLU A 43 6.842 1.460 -10.390 1.00 0.00 O ATOM 0 H GLU A 43 8.046 2.499 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 43 5.773 1.833 -7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.067 0.353 -6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.726 -0.570 -6.991 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.463 1.394 -8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.517 -0.353 -8.646 1.00 0.00 H new ATOM 619 N VAL A 44 5.760 0.627 -4.529 1.00 0.00 N ATOM 620 CA VAL A 44 4.887 0.145 -3.466 1.00 0.00 C ATOM 621 C VAL A 44 3.698 1.078 -3.266 1.00 0.00 C ATOM 622 O VAL A 44 2.560 0.629 -3.132 1.00 0.00 O ATOM 623 CB VAL A 44 5.647 0.007 -2.134 1.00 0.00 C ATOM 624 CG1 VAL A 44 4.692 -0.365 -1.010 1.00 0.00 C ATOM 625 CG2 VAL A 44 6.762 -1.021 -2.261 1.00 0.00 C ATOM 0 H VAL A 44 6.753 0.618 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 44 4.527 -0.837 -3.773 1.00 0.00 H new ATOM 0 HB VAL A 44 6.098 0.969 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.247 -0.458 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.934 0.411 -0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.210 -1.315 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.289 -1.106 -1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.336 -1.988 -2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.461 -0.706 -3.036 1.00 0.00 H new ATOM 635 N ASN A 45 3.969 2.378 -3.249 1.00 0.00 N ATOM 636 CA ASN A 45 2.921 3.376 -3.065 1.00 0.00 C ATOM 637 C ASN A 45 1.942 3.357 -4.235 1.00 0.00 C ATOM 638 O ASN A 45 0.729 3.458 -4.046 1.00 0.00 O ATOM 639 CB ASN A 45 3.535 4.770 -2.921 1.00 0.00 C ATOM 640 CG ASN A 45 3.948 5.075 -1.494 1.00 0.00 C ATOM 641 OD1 ASN A 45 3.173 4.881 -0.557 1.00 0.00 O ATOM 642 ND2 ASN A 45 5.174 5.556 -1.323 1.00 0.00 N ATOM 0 H ASN A 45 4.906 2.766 -3.360 1.00 0.00 H new ATOM 0 HA ASN A 45 2.376 3.131 -2.154 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.405 4.850 -3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.816 5.517 -3.256 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.508 5.781 -0.386 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.782 5.701 -2.129 1.00 0.00 H new ATOM 649 N LYS A 46 2.476 3.228 -5.444 1.00 0.00 N ATOM 650 CA LYS A 46 1.651 3.194 -6.646 1.00 0.00 C ATOM 651 C LYS A 46 0.750 1.963 -6.653 1.00 0.00 C ATOM 652 O LYS A 46 -0.432 2.050 -6.987 1.00 0.00 O ATOM 653 CB LYS A 46 2.534 3.199 -7.896 1.00 0.00 C ATOM 654 CG LYS A 46 1.841 3.755 -9.128 1.00 0.00 C ATOM 655 CD LYS A 46 1.099 2.669 -9.889 1.00 0.00 C ATOM 656 CE LYS A 46 -0.081 3.236 -10.663 1.00 0.00 C ATOM 657 NZ LYS A 46 -0.578 2.284 -11.694 1.00 0.00 N ATOM 0 H LYS A 46 3.478 3.145 -5.618 1.00 0.00 H new ATOM 0 HA LYS A 46 1.021 4.084 -6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.429 3.788 -7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.862 2.180 -8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.141 4.536 -8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.578 4.220 -9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.783 2.174 -10.578 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.746 1.910 -9.190 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.888 3.475 -9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.214 4.169 -11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.382 2.708 -12.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.184 2.075 -12.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.884 1.403 -11.234 1.00 0.00 H new ATOM 671 N ALA A 47 1.315 0.819 -6.281 1.00 0.00 N ATOM 672 CA ALA A 47 0.561 -0.427 -6.240 1.00 0.00 C ATOM 673 C ALA A 47 -0.407 -0.446 -5.062 1.00 0.00 C ATOM 674 O ALA A 47 -1.533 -0.930 -5.179 1.00 0.00 O ATOM 675 CB ALA A 47 1.509 -1.615 -6.166 1.00 0.00 C ATOM 0 H ALA A 47 2.293 0.730 -6.004 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.024 -0.499 -7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.932 -2.539 -6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.156 -1.619 -7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.119 -1.538 -5.266 1.00 0.00 H new ATOM 681 N TYR A 48 0.039 0.083 -3.928 1.00 0.00 N ATOM 682 CA TYR A 48 -0.787 0.124 -2.727 1.00 0.00 C ATOM 683 C TYR A 48 -2.048 0.950 -2.961 1.00 0.00 C ATOM 684 O TYR A 48 -3.109 0.653 -2.412 1.00 0.00 O ATOM 685 CB TYR A 48 0.007 0.706 -1.556 1.00 0.00 C ATOM 686 CG TYR A 48 -0.850 1.436 -0.547 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.216 2.761 -0.746 1.00 0.00 C ATOM 688 CD2 TYR A 48 -1.294 0.800 0.606 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.998 3.432 0.174 1.00 0.00 C ATOM 690 CE2 TYR A 48 -2.078 1.463 1.530 1.00 0.00 C ATOM 691 CZ TYR A 48 -2.426 2.779 1.310 1.00 0.00 C ATOM 692 OH TYR A 48 -3.207 3.444 2.228 1.00 0.00 O ATOM 0 H TYR A 48 0.968 0.489 -3.815 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.083 -0.897 -2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.539 -0.101 -1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.761 1.391 -1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.883 3.276 -1.635 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.021 -0.230 0.783 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.273 4.463 0.004 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.417 0.953 2.420 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.424 2.842 2.970 1.00 0.00 H new ATOM 702 N ARG A 49 -1.924 1.989 -3.781 1.00 0.00 N ATOM 703 CA ARG A 49 -3.052 2.859 -4.089 1.00 0.00 C ATOM 704 C ARG A 49 -4.107 2.115 -4.902 1.00 0.00 C ATOM 705 O ARG A 49 -5.250 1.967 -4.469 1.00 0.00 O ATOM 706 CB ARG A 49 -2.577 4.093 -4.858 1.00 0.00 C ATOM 707 CG ARG A 49 -2.022 5.191 -3.966 1.00 0.00 C ATOM 708 CD ARG A 49 -1.765 6.469 -4.749 1.00 0.00 C ATOM 709 NE ARG A 49 -2.999 7.199 -5.025 1.00 0.00 N ATOM 710 CZ ARG A 49 -3.739 7.008 -6.111 1.00 0.00 C ATOM 711 NH1 ARG A 49 -3.372 6.114 -7.018 1.00 0.00 N ATOM 712 NH2 ARG A 49 -4.850 7.712 -6.291 1.00 0.00 N ATOM 0 H ARG A 49 -1.053 2.248 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.501 3.176 -3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.809 3.793 -5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.410 4.493 -5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.724 5.394 -3.157 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.094 4.853 -3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.084 7.108 -4.187 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.270 6.225 -5.689 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.310 7.894 -4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.519 5.571 -6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.942 5.969 -7.851 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.136 8.400 -5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.418 7.565 -7.126 1.00 0.00 H new ATOM 726 N LYS A 50 -3.716 1.647 -6.082 1.00 0.00 N ATOM 727 CA LYS A 50 -4.627 0.917 -6.957 1.00 0.00 C ATOM 728 C LYS A 50 -5.409 -0.132 -6.173 1.00 0.00 C ATOM 729 O LYS A 50 -6.573 -0.404 -6.471 1.00 0.00 O ATOM 730 CB LYS A 50 -3.849 0.247 -8.091 1.00 0.00 C ATOM 731 CG LYS A 50 -2.920 -0.860 -7.622 1.00 0.00 C ATOM 732 CD LYS A 50 -2.594 -1.828 -8.746 1.00 0.00 C ATOM 733 CE LYS A 50 -1.512 -2.815 -8.335 1.00 0.00 C ATOM 734 NZ LYS A 50 -1.275 -3.846 -9.383 1.00 0.00 N ATOM 0 H LYS A 50 -2.774 1.760 -6.455 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.334 1.630 -7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.556 -0.165 -8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.264 1.003 -8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.998 -0.424 -7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.385 -1.401 -6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.494 -2.372 -9.032 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.266 -1.271 -9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.585 -2.277 -8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.800 -3.303 -7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.531 -4.499 -9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.153 -4.377 -9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.975 -3.383 -10.264 1.00 0.00 H new ATOM 748 N LEU A 51 -4.764 -0.717 -5.170 1.00 0.00 N ATOM 749 CA LEU A 51 -5.400 -1.736 -4.342 1.00 0.00 C ATOM 750 C LEU A 51 -6.318 -1.099 -3.304 1.00 0.00 C ATOM 751 O LEU A 51 -7.513 -1.390 -3.255 1.00 0.00 O ATOM 752 CB LEU A 51 -4.340 -2.591 -3.646 1.00 0.00 C ATOM 753 CG LEU A 51 -4.744 -4.030 -3.324 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.295 -4.720 -4.562 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.559 -4.803 -2.763 1.00 0.00 C ATOM 0 H LEU A 51 -3.801 -0.503 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.002 -2.372 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.451 -2.617 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.057 -2.098 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.528 -4.006 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.577 -5.743 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.171 -4.179 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.533 -4.733 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.864 -5.825 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.753 -4.817 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.209 -4.321 -1.850 1.00 0.00 H new ATOM 767 N ALA A 52 -5.752 -0.226 -2.477 1.00 0.00 N ATOM 768 CA ALA A 52 -6.520 0.456 -1.443 1.00 0.00 C ATOM 769 C ALA A 52 -7.842 0.978 -1.995 1.00 0.00 C ATOM 770 O ALA A 52 -8.873 0.919 -1.324 1.00 0.00 O ATOM 771 CB ALA A 52 -5.708 1.597 -0.848 1.00 0.00 C ATOM 0 H ALA A 52 -4.764 0.026 -2.503 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.744 -0.265 -0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.294 2.097 -0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.793 1.201 -0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.455 2.311 -1.632 1.00 0.00 H new ATOM 777 N VAL A 53 -7.806 1.488 -3.222 1.00 0.00 N ATOM 778 CA VAL A 53 -9.002 2.020 -3.864 1.00 0.00 C ATOM 779 C VAL A 53 -10.000 0.910 -4.172 1.00 0.00 C ATOM 780 O VAL A 53 -11.212 1.123 -4.137 1.00 0.00 O ATOM 781 CB VAL A 53 -8.655 2.761 -5.170 1.00 0.00 C ATOM 782 CG1 VAL A 53 -9.921 3.226 -5.872 1.00 0.00 C ATOM 783 CG2 VAL A 53 -7.730 3.935 -4.886 1.00 0.00 C ATOM 0 H VAL A 53 -6.961 1.544 -3.791 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.451 2.724 -3.164 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.134 2.070 -5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.656 3.747 -6.792 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.543 2.363 -6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.472 3.902 -5.218 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.495 4.447 -5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.222 4.629 -4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.809 3.571 -4.430 1.00 0.00 H new ATOM 793 N LEU A 54 -9.483 -0.276 -4.474 1.00 0.00 N ATOM 794 CA LEU A 54 -10.329 -1.422 -4.788 1.00 0.00 C ATOM 795 C LEU A 54 -10.811 -2.108 -3.514 1.00 0.00 C ATOM 796 O LEU A 54 -11.791 -2.854 -3.530 1.00 0.00 O ATOM 797 CB LEU A 54 -9.566 -2.420 -5.661 1.00 0.00 C ATOM 798 CG LEU A 54 -10.375 -3.607 -6.187 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.372 -3.148 -7.239 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.449 -4.672 -6.755 1.00 0.00 C ATOM 0 H LEU A 54 -8.482 -0.469 -4.508 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.199 -1.061 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.150 -1.883 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.724 -2.806 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.930 -4.042 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.939 -4.005 -7.602 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.055 -2.421 -6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.838 -2.688 -8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.041 -5.509 -7.125 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.867 -4.249 -7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.774 -5.022 -5.974 1.00 0.00 H new ATOM 812 N LEU A 55 -10.118 -1.851 -2.410 1.00 0.00 N ATOM 813 CA LEU A 55 -10.476 -2.442 -1.126 1.00 0.00 C ATOM 814 C LEU A 55 -11.039 -1.386 -0.179 1.00 0.00 C ATOM 815 O LEU A 55 -11.324 -1.670 0.985 1.00 0.00 O ATOM 816 CB LEU A 55 -9.256 -3.113 -0.493 1.00 0.00 C ATOM 817 CG LEU A 55 -8.494 -4.096 -1.382 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.137 -4.421 -0.777 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.306 -5.367 -1.589 1.00 0.00 C ATOM 0 H LEU A 55 -9.304 -1.237 -2.379 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.246 -3.194 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.565 -2.334 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.581 -3.641 0.403 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.333 -3.629 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.609 -5.122 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.553 -3.506 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.275 -4.869 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.749 -6.055 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.498 -5.837 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.254 -5.119 -2.067 1.00 0.00 H new ATOM 831 N HIS A 56 -11.198 -0.168 -0.686 1.00 0.00 N ATOM 832 CA HIS A 56 -11.730 0.930 0.114 1.00 0.00 C ATOM 833 C HIS A 56 -13.045 0.531 0.777 1.00 0.00 C ATOM 834 O HIS A 56 -13.884 -0.151 0.188 1.00 0.00 O ATOM 835 CB HIS A 56 -11.940 2.168 -0.758 1.00 0.00 C ATOM 836 CG HIS A 56 -11.726 3.458 -0.027 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.658 4.474 -0.004 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.678 3.894 0.712 1.00 0.00 C ATOM 839 CE1 HIS A 56 -12.193 5.479 0.716 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.993 5.152 1.162 1.00 0.00 N ATOM 0 H HIS A 56 -10.966 0.084 -1.647 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.006 1.163 0.895 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.259 2.124 -1.608 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.953 2.151 -1.160 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.765 3.353 0.910 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.706 6.410 0.908 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.397 5.739 1.746 1.00 0.00 H new ATOM 848 N PRO A 57 -13.230 0.965 2.033 1.00 0.00 N ATOM 849 CA PRO A 57 -14.440 0.665 2.804 1.00 0.00 C ATOM 850 C PRO A 57 -15.666 1.396 2.266 1.00 0.00 C ATOM 851 O PRO A 57 -16.751 0.822 2.171 1.00 0.00 O ATOM 852 CB PRO A 57 -14.096 1.160 4.211 1.00 0.00 C ATOM 853 CG PRO A 57 -13.064 2.213 4.000 1.00 0.00 C ATOM 854 CD PRO A 57 -12.272 1.782 2.797 1.00 0.00 C ATOM 0 HA PRO A 57 -14.699 -0.393 2.761 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.975 1.562 4.715 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.714 0.351 4.833 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.527 3.186 3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.422 2.311 4.875 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.922 2.637 2.219 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.390 1.207 3.081 1.00 0.00 H new ATOM 862 N ASP A 58 -15.485 2.665 1.916 1.00 0.00 N ATOM 863 CA ASP A 58 -16.576 3.474 1.386 1.00 0.00 C ATOM 864 C ASP A 58 -16.908 3.069 -0.046 1.00 0.00 C ATOM 865 O ASP A 58 -17.867 3.566 -0.638 1.00 0.00 O ATOM 866 CB ASP A 58 -16.210 4.958 1.437 1.00 0.00 C ATOM 867 CG ASP A 58 -16.437 5.564 2.808 1.00 0.00 C ATOM 868 OD1 ASP A 58 -17.606 5.624 3.245 1.00 0.00 O ATOM 869 OD2 ASP A 58 -15.446 5.977 3.445 1.00 0.00 O ATOM 0 H ASP A 58 -14.594 3.155 1.990 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.456 3.303 2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.164 5.081 1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -16.803 5.501 0.701 1.00 0.00 H new ATOM 874 N LYS A 59 -16.109 2.163 -0.600 1.00 0.00 N ATOM 875 CA LYS A 59 -16.317 1.689 -1.963 1.00 0.00 C ATOM 876 C LYS A 59 -16.604 0.191 -1.980 1.00 0.00 C ATOM 877 O LYS A 59 -17.281 -0.310 -2.879 1.00 0.00 O ATOM 878 CB LYS A 59 -15.088 1.993 -2.823 1.00 0.00 C ATOM 879 CG LYS A 59 -14.701 3.462 -2.834 1.00 0.00 C ATOM 880 CD LYS A 59 -14.060 3.860 -4.153 1.00 0.00 C ATOM 881 CE LYS A 59 -12.544 3.750 -4.091 1.00 0.00 C ATOM 882 NZ LYS A 59 -11.921 4.986 -3.542 1.00 0.00 N ATOM 0 H LYS A 59 -15.310 1.742 -0.125 1.00 0.00 H new ATOM 0 HA LYS A 59 -17.180 2.211 -2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.245 1.407 -2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.282 1.669 -3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.586 4.074 -2.659 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.008 3.663 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.440 3.222 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.342 4.883 -4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.267 2.897 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.152 3.559 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.193 4.728 -2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.484 5.527 -4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.650 5.567 -3.081 1.00 0.00 H new ATOM 896 N CYS A 60 -16.089 -0.517 -0.982 1.00 0.00 N ATOM 897 CA CYS A 60 -16.291 -1.958 -0.883 1.00 0.00 C ATOM 898 C CYS A 60 -16.866 -2.334 0.479 1.00 0.00 C ATOM 899 O CYS A 60 -16.145 -2.385 1.476 1.00 0.00 O ATOM 900 CB CYS A 60 -14.972 -2.697 -1.115 1.00 0.00 C ATOM 901 SG CYS A 60 -15.163 -4.468 -1.426 1.00 0.00 S ATOM 0 H CYS A 60 -15.528 -0.117 -0.230 1.00 0.00 H new ATOM 0 HA CYS A 60 -17.004 -2.253 -1.653 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.458 -2.244 -1.963 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.332 -2.559 -0.243 1.00 0.00 H new ATOM 0 HG CYS A 60 -13.994 -5.004 -1.612 1.00 0.00 H new ATOM 907 N VAL A 61 -18.169 -2.595 0.515 1.00 0.00 N ATOM 908 CA VAL A 61 -18.841 -2.965 1.755 1.00 0.00 C ATOM 909 C VAL A 61 -18.679 -4.454 2.044 1.00 0.00 C ATOM 910 O VAL A 61 -19.321 -4.994 2.944 1.00 0.00 O ATOM 911 CB VAL A 61 -20.341 -2.623 1.703 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.542 -1.130 1.494 1.00 0.00 C ATOM 913 CG2 VAL A 61 -21.032 -3.421 0.608 1.00 0.00 C ATOM 0 H VAL A 61 -18.780 -2.557 -0.301 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.373 -2.390 2.554 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.791 -2.895 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.609 -0.908 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.083 -0.582 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.078 -0.828 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -22.092 -3.166 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.581 -3.183 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.919 -4.487 0.808 1.00 0.00 H new ATOM 923 N ALA A 62 -17.818 -5.110 1.274 1.00 0.00 N ATOM 924 CA ALA A 62 -17.570 -6.536 1.449 1.00 0.00 C ATOM 925 C ALA A 62 -16.991 -6.827 2.829 1.00 0.00 C ATOM 926 O ALA A 62 -16.253 -6.025 3.401 1.00 0.00 O ATOM 927 CB ALA A 62 -16.633 -7.046 0.364 1.00 0.00 C ATOM 0 H ALA A 62 -17.280 -4.677 0.523 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.523 -7.058 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.457 -8.112 0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -17.085 -6.881 -0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.685 -6.511 0.421 1.00 0.00 H new ATOM 933 N PRO A 63 -17.333 -8.002 3.380 1.00 0.00 N ATOM 934 CA PRO A 63 -16.858 -8.425 4.700 1.00 0.00 C ATOM 935 C PRO A 63 -15.367 -8.746 4.705 1.00 0.00 C ATOM 936 O PRO A 63 -14.791 -9.055 5.747 1.00 0.00 O ATOM 937 CB PRO A 63 -17.676 -9.687 4.983 1.00 0.00 C ATOM 938 CG PRO A 63 -18.041 -10.212 3.638 1.00 0.00 C ATOM 939 CD PRO A 63 -18.209 -9.007 2.755 1.00 0.00 C ATOM 0 HA PRO A 63 -16.983 -7.642 5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.096 -10.416 5.548 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.564 -9.459 5.573 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.264 -10.873 3.253 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.961 -10.794 3.683 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.911 -9.217 1.728 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -19.246 -8.673 2.724 1.00 0.00 H new ATOM 947 N GLY A 64 -14.746 -8.669 3.531 1.00 0.00 N ATOM 948 CA GLY A 64 -13.327 -8.954 3.423 1.00 0.00 C ATOM 949 C GLY A 64 -12.504 -7.707 3.162 1.00 0.00 C ATOM 950 O GLY A 64 -11.374 -7.591 3.636 1.00 0.00 O ATOM 0 H GLY A 64 -15.200 -8.415 2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.983 -9.427 4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.163 -9.669 2.617 1.00 0.00 H new ATOM 954 N SER A 65 -13.071 -6.774 2.405 1.00 0.00 N ATOM 955 CA SER A 65 -12.380 -5.532 2.077 1.00 0.00 C ATOM 956 C SER A 65 -11.651 -4.978 3.297 1.00 0.00 C ATOM 957 O SER A 65 -10.521 -4.501 3.194 1.00 0.00 O ATOM 958 CB SER A 65 -13.373 -4.495 1.548 1.00 0.00 C ATOM 959 OG SER A 65 -13.005 -3.186 1.947 1.00 0.00 O ATOM 0 H SER A 65 -14.007 -6.854 2.007 1.00 0.00 H new ATOM 0 HA SER A 65 -11.644 -5.748 1.302 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.415 -4.549 0.460 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.373 -4.723 1.917 1.00 0.00 H new ATOM 0 HG SER A 65 -12.117 -2.973 1.591 1.00 0.00 H new ATOM 965 N GLU A 66 -12.306 -5.046 4.452 1.00 0.00 N ATOM 966 CA GLU A 66 -11.720 -4.550 5.692 1.00 0.00 C ATOM 967 C GLU A 66 -10.395 -5.249 5.985 1.00 0.00 C ATOM 968 O GLU A 66 -9.343 -4.613 6.033 1.00 0.00 O ATOM 969 CB GLU A 66 -12.688 -4.758 6.858 1.00 0.00 C ATOM 970 CG GLU A 66 -12.089 -4.424 8.214 1.00 0.00 C ATOM 971 CD GLU A 66 -12.679 -5.258 9.334 1.00 0.00 C ATOM 972 OE1 GLU A 66 -12.656 -6.502 9.224 1.00 0.00 O ATOM 973 OE2 GLU A 66 -13.164 -4.666 10.321 1.00 0.00 O ATOM 0 H GLU A 66 -13.242 -5.439 4.555 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.530 -3.483 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.573 -4.141 6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.020 -5.796 6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.011 -4.580 8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.251 -3.368 8.428 1.00 0.00 H new ATOM 980 N ASP A 67 -10.457 -6.561 6.182 1.00 0.00 N ATOM 981 CA ASP A 67 -9.263 -7.348 6.470 1.00 0.00 C ATOM 982 C ASP A 67 -8.219 -7.173 5.373 1.00 0.00 C ATOM 983 O ASP A 67 -7.017 -7.179 5.639 1.00 0.00 O ATOM 984 CB ASP A 67 -9.624 -8.827 6.617 1.00 0.00 C ATOM 985 CG ASP A 67 -8.504 -9.638 7.237 1.00 0.00 C ATOM 986 OD1 ASP A 67 -8.322 -9.553 8.470 1.00 0.00 O ATOM 987 OD2 ASP A 67 -7.809 -10.358 6.491 1.00 0.00 O ATOM 0 H ASP A 67 -11.321 -7.102 6.148 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.840 -6.990 7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.519 -8.920 7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.866 -9.238 5.637 1.00 0.00 H new ATOM 992 N ALA A 68 -8.685 -7.018 4.138 1.00 0.00 N ATOM 993 CA ALA A 68 -7.791 -6.840 3.000 1.00 0.00 C ATOM 994 C ALA A 68 -7.032 -5.521 3.099 1.00 0.00 C ATOM 995 O ALA A 68 -5.801 -5.501 3.105 1.00 0.00 O ATOM 996 CB ALA A 68 -8.576 -6.904 1.698 1.00 0.00 C ATOM 0 H ALA A 68 -9.677 -7.012 3.900 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.061 -7.650 3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.896 -6.770 0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.067 -7.874 1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.328 -6.115 1.687 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.774 -4.421 3.177 1.00 0.00 N ATOM 1003 CA PHE A 69 -7.171 -3.097 3.274 1.00 0.00 C ATOM 1004 C PHE A 69 -6.177 -3.036 4.430 1.00 0.00 C ATOM 1005 O PHE A 69 -5.088 -2.475 4.299 1.00 0.00 O ATOM 1006 CB PHE A 69 -8.253 -2.033 3.461 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.715 -0.631 3.500 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -7.198 -0.041 2.357 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -7.726 0.097 4.679 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -6.703 1.249 2.390 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.232 1.387 4.717 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.718 1.963 3.571 1.00 0.00 C ATOM 0 H PHE A 69 -8.794 -4.421 3.175 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.635 -2.900 2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.975 -2.114 2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.792 -2.233 4.387 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.182 -0.596 1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.125 -0.349 5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.305 1.698 1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.248 1.945 5.642 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.329 2.970 3.599 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.558 -3.618 5.562 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.702 -3.631 6.742 1.00 0.00 C ATOM 1024 C LYS A 70 -4.376 -4.322 6.444 1.00 0.00 C ATOM 1025 O LYS A 70 -3.310 -3.821 6.803 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.409 -4.338 7.902 1.00 0.00 C ATOM 1027 CG LYS A 70 -7.236 -3.405 8.769 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.401 -4.134 9.417 1.00 0.00 C ATOM 1029 CE LYS A 70 -7.946 -4.969 10.604 1.00 0.00 C ATOM 1030 NZ LYS A 70 -9.076 -5.712 11.226 1.00 0.00 N ATOM 0 H LYS A 70 -7.455 -4.087 5.687 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.498 -2.598 7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.057 -5.117 7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.663 -4.833 8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.603 -2.968 9.542 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.613 -2.581 8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.147 -3.410 9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.883 -4.778 8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.182 -5.675 10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.485 -4.320 11.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.724 -6.269 12.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.794 -5.037 11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.501 -6.350 10.523 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.448 -5.474 5.785 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.253 -6.231 5.436 1.00 0.00 C ATOM 1046 C ALA A 71 -2.332 -5.417 4.533 1.00 0.00 C ATOM 1047 O ALA A 71 -1.147 -5.254 4.824 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.635 -7.540 4.761 1.00 0.00 C ATOM 0 H ALA A 71 -5.322 -5.903 5.482 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.713 -6.454 6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.732 -8.095 4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.247 -8.134 5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.200 -7.330 3.853 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.884 -4.909 3.436 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.112 -4.112 2.490 1.00 0.00 C ATOM 1056 C VAL A 72 -1.168 -3.160 3.216 1.00 0.00 C ATOM 1057 O VAL A 72 -0.028 -2.959 2.796 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.031 -3.296 1.562 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.208 -2.427 0.624 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -3.951 -4.220 0.778 1.00 0.00 C ATOM 0 H VAL A 72 -3.863 -5.035 3.180 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.529 -4.811 1.890 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.649 -2.640 2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.875 -1.858 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.596 -1.740 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.563 -3.059 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.594 -3.627 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.353 -4.902 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.567 -4.794 1.471 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.649 -2.577 4.310 1.00 0.00 N ATOM 1071 CA VAL A 73 -0.847 -1.648 5.096 1.00 0.00 C ATOM 1072 C VAL A 73 0.333 -2.357 5.750 1.00 0.00 C ATOM 1073 O VAL A 73 1.480 -1.937 5.605 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.691 -0.964 6.189 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -0.812 -0.100 7.080 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -2.805 -0.138 5.563 1.00 0.00 C ATOM 0 H VAL A 73 -2.590 -2.732 4.671 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.475 -0.890 4.407 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.147 -1.737 6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.425 0.375 7.846 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.054 -0.722 7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.326 0.667 6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.391 0.338 6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.372 0.628 4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.451 -0.787 4.972 1.00 0.00 H new ATOM 1086 N ASN A 74 0.043 -3.435 6.471 1.00 0.00 N ATOM 1087 CA ASN A 74 1.081 -4.204 7.148 1.00 0.00 C ATOM 1088 C ASN A 74 2.144 -4.672 6.159 1.00 0.00 C ATOM 1089 O ASN A 74 3.320 -4.784 6.503 1.00 0.00 O ATOM 1090 CB ASN A 74 0.467 -5.409 7.864 1.00 0.00 C ATOM 1091 CG ASN A 74 0.372 -6.628 6.966 1.00 0.00 C ATOM 1092 OD1 ASN A 74 1.310 -6.948 6.235 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -0.764 -7.313 7.017 1.00 0.00 N ATOM 0 H ASN A 74 -0.902 -3.796 6.602 1.00 0.00 H new ATOM 0 HA ASN A 74 1.556 -3.556 7.884 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.068 -5.652 8.740 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.528 -5.147 8.223 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.886 -8.142 6.435 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.514 -7.011 7.638 1.00 0.00 H new ATOM 1100 N ALA A 75 1.720 -4.945 4.929 1.00 0.00 N ATOM 1101 CA ALA A 75 2.636 -5.398 3.889 1.00 0.00 C ATOM 1102 C ALA A 75 3.331 -4.219 3.217 1.00 0.00 C ATOM 1103 O ALA A 75 4.509 -4.297 2.869 1.00 0.00 O ATOM 1104 CB ALA A 75 1.890 -6.232 2.858 1.00 0.00 C ATOM 0 H ALA A 75 0.749 -4.860 4.629 1.00 0.00 H new ATOM 0 HA ALA A 75 3.402 -6.017 4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.585 -6.564 2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.446 -7.100 3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.104 -5.630 2.403 1.00 0.00 H new ATOM 1110 N ARG A 76 2.593 -3.128 3.036 1.00 0.00 N ATOM 1111 CA ARG A 76 3.139 -1.933 2.404 1.00 0.00 C ATOM 1112 C ARG A 76 4.106 -1.216 3.341 1.00 0.00 C ATOM 1113 O ARG A 76 5.302 -1.119 3.062 1.00 0.00 O ATOM 1114 CB ARG A 76 2.009 -0.985 1.996 1.00 0.00 C ATOM 1115 CG ARG A 76 2.493 0.394 1.579 1.00 0.00 C ATOM 1116 CD ARG A 76 1.501 1.476 1.977 1.00 0.00 C ATOM 1117 NE ARG A 76 1.856 2.102 3.248 1.00 0.00 N ATOM 1118 CZ ARG A 76 1.401 3.289 3.635 1.00 0.00 C ATOM 1119 NH1 ARG A 76 0.578 3.974 2.853 1.00 0.00 N ATOM 1120 NH2 ARG A 76 1.770 3.792 4.806 1.00 0.00 N ATOM 0 H ARG A 76 1.616 -3.047 3.318 1.00 0.00 H new ATOM 0 HA ARG A 76 3.686 -2.241 1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.452 -1.430 1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.315 -0.881 2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.459 0.597 2.041 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.645 0.417 0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.461 2.236 1.197 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.503 1.044 2.052 1.00 0.00 H new ATOM 0 HE ARG A 76 2.488 1.601 3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.293 3.590 1.952 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.230 4.885 3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.403 3.268 5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.420 4.703 5.103 1.00 0.00 H new ATOM 1134 N THR A 77 3.580 -0.712 4.453 1.00 0.00 N ATOM 1135 CA THR A 77 4.396 -0.001 5.430 1.00 0.00 C ATOM 1136 C THR A 77 5.697 -0.745 5.705 1.00 0.00 C ATOM 1137 O THR A 77 6.765 -0.139 5.784 1.00 0.00 O ATOM 1138 CB THR A 77 3.639 0.194 6.758 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.521 1.067 6.561 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.557 0.771 7.824 1.00 0.00 C ATOM 0 H THR A 77 2.593 -0.783 4.700 1.00 0.00 H new ATOM 0 HA THR A 77 4.623 0.976 5.002 1.00 0.00 H new ATOM 0 HB THR A 77 3.284 -0.780 7.095 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.044 1.184 7.409 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.001 0.900 8.752 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.392 0.090 7.993 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.938 1.737 7.492 1.00 0.00 H new ATOM 1148 N ALA A 78 5.601 -2.063 5.850 1.00 0.00 N ATOM 1149 CA ALA A 78 6.772 -2.890 6.113 1.00 0.00 C ATOM 1150 C ALA A 78 7.802 -2.755 4.997 1.00 0.00 C ATOM 1151 O ALA A 78 8.979 -2.497 5.252 1.00 0.00 O ATOM 1152 CB ALA A 78 6.363 -4.346 6.282 1.00 0.00 C ATOM 0 H ALA A 78 4.724 -2.581 5.790 1.00 0.00 H new ATOM 0 HA ALA A 78 7.230 -2.542 7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.248 -4.952 6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.670 -4.434 7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.878 -4.696 5.371 1.00 0.00 H new ATOM 1158 N LEU A 79 7.353 -2.930 3.759 1.00 0.00 N ATOM 1159 CA LEU A 79 8.236 -2.828 2.603 1.00 0.00 C ATOM 1160 C LEU A 79 8.805 -1.419 2.475 1.00 0.00 C ATOM 1161 O LEU A 79 9.993 -1.239 2.205 1.00 0.00 O ATOM 1162 CB LEU A 79 7.482 -3.204 1.326 1.00 0.00 C ATOM 1163 CG LEU A 79 6.976 -4.645 1.245 1.00 0.00 C ATOM 1164 CD1 LEU A 79 5.962 -4.792 0.121 1.00 0.00 C ATOM 1165 CD2 LEU A 79 8.137 -5.608 1.048 1.00 0.00 C ATOM 0 H LEU A 79 6.382 -3.143 3.530 1.00 0.00 H new ATOM 0 HA LEU A 79 9.064 -3.522 2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.629 -2.534 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.137 -3.022 0.474 1.00 0.00 H new ATOM 0 HG LEU A 79 6.483 -4.890 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.613 -5.824 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.116 -4.130 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.429 -4.528 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.758 -6.628 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.659 -5.364 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.827 -5.522 1.887 1.00 0.00 H new ATOM 1177 N LEU A 80 7.950 -0.421 2.672 1.00 0.00 N ATOM 1178 CA LEU A 80 8.367 0.974 2.581 1.00 0.00 C ATOM 1179 C LEU A 80 9.468 1.280 3.591 1.00 0.00 C ATOM 1180 O LEU A 80 10.492 1.872 3.250 1.00 0.00 O ATOM 1181 CB LEU A 80 7.173 1.900 2.814 1.00 0.00 C ATOM 1182 CG LEU A 80 5.993 1.728 1.857 1.00 0.00 C ATOM 1183 CD1 LEU A 80 4.830 2.613 2.279 1.00 0.00 C ATOM 1184 CD2 LEU A 80 6.414 2.041 0.429 1.00 0.00 C ATOM 0 H LEU A 80 6.964 -0.552 2.896 1.00 0.00 H new ATOM 0 HA LEU A 80 8.761 1.145 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.814 1.748 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.520 2.931 2.749 1.00 0.00 H new ATOM 0 HG LEU A 80 5.665 0.689 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.999 2.477 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.512 2.340 3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.144 3.657 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.561 1.913 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.769 3.070 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.214 1.364 0.129 1.00 0.00 H new