USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 594 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 55 THR OG1 : rot 118:sc= 0.322 USER MOD Set 1.2: A 58 THR OG1 : rot 139:sc= 1.06 USER MOD Set 2.1: A 44 ASN : amide:sc= -0.574 K(o=-0.73,f=-3.6!) USER MOD Set 2.2: A 65 SER OG : rot -160:sc= -0.157 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot -175:sc= -4.28! USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 0:sc= -1.52 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -119:sc= -0.398 (180deg=-4.3!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= 0.114 (180deg=0.0576) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0521) USER MOD Single : A 63 GLN : amide:sc=-0.00404 K(o=-0.004,f=-1.4) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.106 F(o=-1.5,f=-0.11) USER MOD Single : A 69 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 70:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 130 N SER A 10 13.846 -1.595 10.385 1.00 0.00 N ATOM 131 CA SER A 10 13.538 -3.004 10.197 1.00 0.00 C ATOM 132 C SER A 10 13.014 -3.266 8.786 1.00 0.00 C ATOM 133 O SER A 10 12.211 -2.493 8.262 1.00 0.00 O ATOM 134 CB SER A 10 12.508 -3.464 11.230 1.00 0.00 C ATOM 135 OG SER A 10 13.105 -3.641 12.503 1.00 0.00 O ATOM 0 HA SER A 10 14.458 -3.572 10.333 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.706 -2.729 11.300 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.055 -4.400 10.904 1.00 0.00 H new ATOM 0 HG SER A 10 12.425 -3.933 13.145 1.00 0.00 H new ATOM 141 N PRO A 11 13.459 -4.364 8.149 1.00 0.00 N ATOM 142 CA PRO A 11 13.026 -4.720 6.795 1.00 0.00 C ATOM 143 C PRO A 11 11.590 -5.233 6.755 1.00 0.00 C ATOM 144 O PRO A 11 10.983 -5.325 5.689 1.00 0.00 O ATOM 145 CB PRO A 11 14.000 -5.825 6.394 1.00 0.00 C ATOM 146 CG PRO A 11 14.394 -6.454 7.681 1.00 0.00 C ATOM 147 CD PRO A 11 14.417 -5.344 8.696 1.00 0.00 C ATOM 0 HA PRO A 11 13.034 -3.859 6.126 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.529 -6.547 5.726 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.865 -5.421 5.868 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.685 -7.231 7.969 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.372 -6.929 7.600 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.114 -5.695 9.683 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.414 -4.916 8.802 1.00 0.00 H new ATOM 155 N ASP A 12 11.054 -5.567 7.924 1.00 0.00 N ATOM 156 CA ASP A 12 9.689 -6.071 8.024 1.00 0.00 C ATOM 157 C ASP A 12 8.679 -5.029 7.559 1.00 0.00 C ATOM 158 O ASP A 12 7.560 -5.363 7.171 1.00 0.00 O ATOM 159 CB ASP A 12 9.385 -6.484 9.462 1.00 0.00 C ATOM 160 CG ASP A 12 9.188 -7.980 9.608 1.00 0.00 C ATOM 161 OD1 ASP A 12 8.063 -8.459 9.352 1.00 0.00 O ATOM 162 OD2 ASP A 12 10.159 -8.674 9.977 1.00 0.00 O ATOM 0 H ASP A 12 11.544 -5.498 8.816 1.00 0.00 H new ATOM 0 HA ASP A 12 9.604 -6.941 7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.202 -6.164 10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.487 -5.968 9.803 1.00 0.00 H new ATOM 167 N ILE A 13 9.081 -3.765 7.603 1.00 0.00 N ATOM 168 CA ILE A 13 8.212 -2.674 7.189 1.00 0.00 C ATOM 169 C ILE A 13 8.100 -2.621 5.676 1.00 0.00 C ATOM 170 O ILE A 13 7.004 -2.555 5.118 1.00 0.00 O ATOM 171 CB ILE A 13 8.704 -1.315 7.749 1.00 0.00 C ATOM 172 CG1 ILE A 13 7.514 -0.395 8.028 1.00 0.00 C ATOM 173 CG2 ILE A 13 9.697 -0.633 6.812 1.00 0.00 C ATOM 174 CD1 ILE A 13 6.985 -0.505 9.441 1.00 0.00 C ATOM 0 H ILE A 13 10.004 -3.471 7.922 1.00 0.00 H new ATOM 0 HA ILE A 13 7.222 -2.865 7.602 1.00 0.00 H new ATOM 0 HB ILE A 13 9.228 -1.517 8.683 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.810 0.637 7.839 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.712 -0.630 7.329 1.00 0.00 H new ATOM 0 HG21 ILE A 13 10.014 0.315 7.246 1.00 0.00 H new ATOM 0 HG22 ILE A 13 10.566 -1.276 6.672 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.221 -0.450 5.848 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.142 0.175 9.568 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.658 -1.528 9.628 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.773 -0.241 10.146 1.00 0.00 H new ATOM 186 N GLU A 14 9.245 -2.667 5.025 1.00 0.00 N ATOM 187 CA GLU A 14 9.299 -2.643 3.574 1.00 0.00 C ATOM 188 C GLU A 14 8.746 -3.943 3.009 1.00 0.00 C ATOM 189 O GLU A 14 8.263 -3.990 1.878 1.00 0.00 O ATOM 190 CB GLU A 14 10.735 -2.425 3.092 1.00 0.00 C ATOM 191 CG GLU A 14 11.095 -0.962 2.894 1.00 0.00 C ATOM 192 CD GLU A 14 11.931 -0.408 4.030 1.00 0.00 C ATOM 193 OE1 GLU A 14 13.138 -0.726 4.089 1.00 0.00 O ATOM 194 OE2 GLU A 14 11.380 0.344 4.861 1.00 0.00 O ATOM 0 H GLU A 14 10.156 -2.722 5.480 1.00 0.00 H new ATOM 0 HA GLU A 14 8.687 -1.814 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.423 -2.865 3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.878 -2.956 2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.641 -0.850 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.181 -0.376 2.802 1.00 0.00 H new ATOM 201 N GLN A 15 8.813 -4.996 3.816 1.00 0.00 N ATOM 202 CA GLN A 15 8.315 -6.296 3.419 1.00 0.00 C ATOM 203 C GLN A 15 6.804 -6.342 3.523 1.00 0.00 C ATOM 204 O GLN A 15 6.120 -6.879 2.652 1.00 0.00 O ATOM 205 CB GLN A 15 8.938 -7.375 4.277 1.00 0.00 C ATOM 206 CG GLN A 15 10.179 -7.971 3.652 1.00 0.00 C ATOM 207 CD GLN A 15 9.864 -9.060 2.645 1.00 0.00 C ATOM 208 OE1 GLN A 15 9.427 -10.151 3.009 1.00 0.00 O ATOM 209 NE2 GLN A 15 10.085 -8.767 1.368 1.00 0.00 N ATOM 0 H GLN A 15 9.211 -4.968 4.755 1.00 0.00 H new ATOM 0 HA GLN A 15 8.591 -6.472 2.379 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.191 -6.958 5.252 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.207 -8.165 4.448 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.748 -7.182 3.161 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.815 -8.381 4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.448 -7.849 1.111 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.891 -9.460 0.645 1.00 0.00 H new ATOM 218 N SER A 16 6.293 -5.755 4.591 1.00 0.00 N ATOM 219 CA SER A 16 4.860 -5.700 4.819 1.00 0.00 C ATOM 220 C SER A 16 4.198 -4.808 3.777 1.00 0.00 C ATOM 221 O SER A 16 3.012 -4.952 3.482 1.00 0.00 O ATOM 222 CB SER A 16 4.560 -5.181 6.226 1.00 0.00 C ATOM 223 OG SER A 16 3.182 -5.308 6.533 1.00 0.00 O ATOM 0 H SER A 16 6.852 -5.308 5.317 1.00 0.00 H new ATOM 0 HA SER A 16 4.455 -6.708 4.729 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.151 -5.735 6.955 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.858 -4.135 6.303 1.00 0.00 H new ATOM 0 HG SER A 16 3.002 -4.899 7.405 1.00 0.00 H new ATOM 229 N PHE A 17 4.980 -3.888 3.220 1.00 0.00 N ATOM 230 CA PHE A 17 4.481 -2.973 2.209 1.00 0.00 C ATOM 231 C PHE A 17 4.200 -3.706 0.908 1.00 0.00 C ATOM 232 O PHE A 17 3.260 -3.374 0.186 1.00 0.00 O ATOM 233 CB PHE A 17 5.477 -1.840 1.977 1.00 0.00 C ATOM 234 CG PHE A 17 4.976 -0.499 2.430 1.00 0.00 C ATOM 235 CD1 PHE A 17 4.348 -0.359 3.657 1.00 0.00 C ATOM 236 CD2 PHE A 17 5.132 0.621 1.630 1.00 0.00 C ATOM 237 CE1 PHE A 17 3.885 0.873 4.078 1.00 0.00 C ATOM 238 CE2 PHE A 17 4.671 1.856 2.045 1.00 0.00 C ATOM 239 CZ PHE A 17 4.047 1.982 3.271 1.00 0.00 C ATOM 0 H PHE A 17 5.964 -3.759 3.455 1.00 0.00 H new ATOM 0 HA PHE A 17 3.545 -2.546 2.569 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.404 -2.069 2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.717 -1.790 0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.219 -1.223 4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.620 0.528 0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.397 0.969 5.037 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.798 2.721 1.412 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.686 2.946 3.598 1.00 0.00 H new ATOM 249 N GLN A 18 5.013 -4.711 0.618 1.00 0.00 N ATOM 250 CA GLN A 18 4.838 -5.495 -0.595 1.00 0.00 C ATOM 251 C GLN A 18 3.559 -6.311 -0.515 1.00 0.00 C ATOM 252 O GLN A 18 2.884 -6.533 -1.518 1.00 0.00 O ATOM 253 CB GLN A 18 6.033 -6.421 -0.830 1.00 0.00 C ATOM 254 CG GLN A 18 5.784 -7.468 -1.906 1.00 0.00 C ATOM 255 CD GLN A 18 7.065 -8.090 -2.426 1.00 0.00 C ATOM 256 OE1 GLN A 18 7.940 -8.475 -1.651 1.00 0.00 O ATOM 257 NE2 GLN A 18 7.181 -8.191 -3.745 1.00 0.00 N ATOM 0 H GLN A 18 5.797 -5.002 1.203 1.00 0.00 H new ATOM 0 HA GLN A 18 4.770 -4.803 -1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.898 -5.821 -1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.283 -6.923 0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.142 -8.251 -1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.245 -7.010 -2.735 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.430 -7.859 -4.350 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.021 -8.601 -4.153 1.00 0.00 H new ATOM 266 N GLU A 19 3.237 -6.755 0.689 1.00 0.00 N ATOM 267 CA GLU A 19 2.039 -7.548 0.910 1.00 0.00 C ATOM 268 C GLU A 19 0.797 -6.737 0.584 1.00 0.00 C ATOM 269 O GLU A 19 -0.204 -7.274 0.114 1.00 0.00 O ATOM 270 CB GLU A 19 1.986 -8.050 2.350 1.00 0.00 C ATOM 271 CG GLU A 19 1.992 -9.566 2.467 1.00 0.00 C ATOM 272 CD GLU A 19 3.340 -10.171 2.129 1.00 0.00 C ATOM 273 OE1 GLU A 19 4.298 -9.956 2.901 1.00 0.00 O ATOM 274 OE2 GLU A 19 3.439 -10.860 1.092 1.00 0.00 O ATOM 0 H GLU A 19 3.789 -6.580 1.529 1.00 0.00 H new ATOM 0 HA GLU A 19 2.072 -8.412 0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.839 -7.648 2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.088 -7.661 2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.715 -9.850 3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.235 -9.981 1.802 1.00 0.00 H new ATOM 281 N ALA A 20 0.874 -5.439 0.826 1.00 0.00 N ATOM 282 CA ALA A 20 -0.237 -4.550 0.548 1.00 0.00 C ATOM 283 C ALA A 20 -0.270 -4.180 -0.925 1.00 0.00 C ATOM 284 O ALA A 20 -1.332 -3.927 -1.490 1.00 0.00 O ATOM 285 CB ALA A 20 -0.159 -3.304 1.417 1.00 0.00 C ATOM 0 H ALA A 20 1.697 -4.979 1.215 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.163 -5.073 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.002 -2.650 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.192 -3.591 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.773 -2.777 1.214 1.00 0.00 H new ATOM 291 N LEU A 21 0.900 -4.164 -1.544 1.00 0.00 N ATOM 292 CA LEU A 21 1.007 -3.842 -2.954 1.00 0.00 C ATOM 293 C LEU A 21 0.716 -5.073 -3.800 1.00 0.00 C ATOM 294 O LEU A 21 0.187 -4.972 -4.907 1.00 0.00 O ATOM 295 CB LEU A 21 2.390 -3.280 -3.279 1.00 0.00 C ATOM 296 CG LEU A 21 2.398 -1.841 -3.800 1.00 0.00 C ATOM 297 CD1 LEU A 21 1.413 -1.681 -4.948 1.00 0.00 C ATOM 298 CD2 LEU A 21 2.075 -0.866 -2.677 1.00 0.00 C ATOM 0 H LEU A 21 1.789 -4.371 -1.089 1.00 0.00 H new ATOM 0 HA LEU A 21 0.268 -3.076 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.005 -3.329 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.861 -3.922 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 21 3.397 -1.616 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.434 -0.651 -5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.690 -2.352 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.409 -1.925 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.085 0.152 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.088 -1.091 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.820 -0.961 -1.887 1.00 0.00 H new ATOM 310 N SER A 22 1.050 -6.237 -3.258 1.00 0.00 N ATOM 311 CA SER A 22 0.811 -7.493 -3.944 1.00 0.00 C ATOM 312 C SER A 22 -0.657 -7.874 -3.827 1.00 0.00 C ATOM 313 O SER A 22 -1.238 -8.465 -4.736 1.00 0.00 O ATOM 314 CB SER A 22 1.692 -8.600 -3.363 1.00 0.00 C ATOM 315 OG SER A 22 2.953 -8.641 -4.009 1.00 0.00 O ATOM 0 H SER A 22 1.488 -6.334 -2.342 1.00 0.00 H new ATOM 0 HA SER A 22 1.065 -7.370 -4.997 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.832 -8.434 -2.295 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.192 -9.562 -3.473 1.00 0.00 H new ATOM 0 HG SER A 22 3.498 -9.356 -3.618 1.00 0.00 H new ATOM 321 N ILE A 23 -1.247 -7.515 -2.695 1.00 0.00 N ATOM 322 CA ILE A 23 -2.648 -7.795 -2.435 1.00 0.00 C ATOM 323 C ILE A 23 -3.523 -6.650 -2.921 1.00 0.00 C ATOM 324 O ILE A 23 -4.619 -6.855 -3.442 1.00 0.00 O ATOM 325 CB ILE A 23 -2.898 -8.040 -0.930 1.00 0.00 C ATOM 326 CG1 ILE A 23 -3.929 -9.152 -0.735 1.00 0.00 C ATOM 327 CG2 ILE A 23 -3.342 -6.764 -0.222 1.00 0.00 C ATOM 328 CD1 ILE A 23 -5.315 -8.782 -1.218 1.00 0.00 C ATOM 0 H ILE A 23 -0.770 -7.025 -1.938 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.910 -8.701 -2.982 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.955 -8.354 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.594 -10.044 -1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.978 -9.409 0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.509 -6.973 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.568 -6.003 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.267 -6.402 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.994 -9.617 -1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.670 -7.909 -0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.280 -8.553 -2.283 1.00 0.00 H new ATOM 340 N TYR A 24 -3.015 -5.444 -2.732 1.00 0.00 N ATOM 341 CA TYR A 24 -3.712 -4.234 -3.131 1.00 0.00 C ATOM 342 C TYR A 24 -2.934 -3.482 -4.210 1.00 0.00 C ATOM 343 O TYR A 24 -2.176 -2.560 -3.911 1.00 0.00 O ATOM 344 CB TYR A 24 -3.932 -3.333 -1.921 1.00 0.00 C ATOM 345 CG TYR A 24 -5.301 -2.696 -1.865 1.00 0.00 C ATOM 346 CD1 TYR A 24 -6.444 -3.422 -2.173 1.00 0.00 C ATOM 347 CD2 TYR A 24 -5.448 -1.365 -1.497 1.00 0.00 C ATOM 348 CE1 TYR A 24 -7.696 -2.838 -2.117 1.00 0.00 C ATOM 349 CE2 TYR A 24 -6.694 -0.774 -1.438 1.00 0.00 C ATOM 350 CZ TYR A 24 -7.815 -1.514 -1.750 1.00 0.00 C ATOM 351 OH TYR A 24 -9.060 -0.929 -1.693 1.00 0.00 O ATOM 0 H TYR A 24 -2.108 -5.277 -2.297 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.679 -4.520 -3.546 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.778 -3.917 -1.014 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.177 -2.547 -1.925 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.354 -4.459 -2.461 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.572 -0.782 -1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.576 -3.415 -2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.790 0.262 -1.149 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.742 -1.587 -1.942 1.00 0.00 H new ATOM 361 N PRO A 25 -3.113 -3.867 -5.486 1.00 0.00 N ATOM 362 CA PRO A 25 -2.435 -3.235 -6.607 1.00 0.00 C ATOM 363 C PRO A 25 -3.179 -2.002 -7.115 1.00 0.00 C ATOM 364 O PRO A 25 -4.282 -1.701 -6.659 1.00 0.00 O ATOM 365 CB PRO A 25 -2.414 -4.332 -7.681 1.00 0.00 C ATOM 366 CG PRO A 25 -3.326 -5.423 -7.204 1.00 0.00 C ATOM 367 CD PRO A 25 -3.989 -4.946 -5.940 1.00 0.00 C ATOM 0 HA PRO A 25 -1.444 -2.875 -6.331 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.750 -3.940 -8.641 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.402 -4.710 -7.827 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.073 -5.656 -7.963 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.763 -6.338 -7.019 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.002 -4.590 -6.127 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.063 -5.742 -5.199 1.00 0.00 H new ATOM 375 N PRO A 26 -2.582 -1.269 -8.072 1.00 0.00 N ATOM 376 CA PRO A 26 -3.193 -0.064 -8.642 1.00 0.00 C ATOM 377 C PRO A 26 -4.450 -0.368 -9.453 1.00 0.00 C ATOM 378 O PRO A 26 -5.199 0.539 -9.815 1.00 0.00 O ATOM 379 CB PRO A 26 -2.099 0.502 -9.548 1.00 0.00 C ATOM 380 CG PRO A 26 -1.246 -0.667 -9.884 1.00 0.00 C ATOM 381 CD PRO A 26 -1.268 -1.556 -8.673 1.00 0.00 C ATOM 0 HA PRO A 26 -3.520 0.625 -7.863 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.522 0.954 -10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.526 1.278 -9.040 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.629 -1.191 -10.760 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.229 -0.353 -10.120 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.169 -2.607 -8.943 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.452 -1.325 -7.988 1.00 0.00 H new ATOM 389 N CYS A 27 -4.678 -1.647 -9.735 1.00 0.00 N ATOM 390 CA CYS A 27 -5.840 -2.064 -10.498 1.00 0.00 C ATOM 391 C CYS A 27 -6.333 -3.433 -10.039 1.00 0.00 C ATOM 392 O CYS A 27 -5.604 -4.180 -9.386 1.00 0.00 O ATOM 393 CB CYS A 27 -5.512 -2.095 -11.988 1.00 0.00 C ATOM 394 SG CYS A 27 -6.558 -1.019 -12.997 1.00 0.00 S ATOM 0 H CYS A 27 -4.069 -2.412 -9.444 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.636 -1.340 -10.326 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.471 -1.804 -12.126 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.608 -3.119 -12.349 1.00 0.00 H new ATOM 0 HG CYS A 27 -6.202 -1.113 -14.244 1.00 0.00 H new ATOM 400 N GLY A 28 -7.575 -3.755 -10.385 1.00 0.00 N ATOM 401 CA GLY A 28 -8.146 -5.033 -10.000 1.00 0.00 C ATOM 402 C GLY A 28 -9.564 -4.901 -9.481 1.00 0.00 C ATOM 403 O GLY A 28 -10.362 -5.831 -9.593 1.00 0.00 O ATOM 0 H GLY A 28 -8.197 -3.154 -10.925 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.138 -5.705 -10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.522 -5.490 -9.232 1.00 0.00 H new ATOM 407 N ARG A 29 -9.878 -3.741 -8.913 1.00 0.00 N ATOM 408 CA ARG A 29 -11.207 -3.488 -8.377 1.00 0.00 C ATOM 409 C ARG A 29 -11.469 -1.990 -8.260 1.00 0.00 C ATOM 410 O ARG A 29 -10.851 -1.303 -7.446 1.00 0.00 O ATOM 411 CB ARG A 29 -11.368 -4.158 -7.011 1.00 0.00 C ATOM 412 CG ARG A 29 -11.937 -5.565 -7.088 1.00 0.00 C ATOM 413 CD ARG A 29 -12.278 -6.104 -5.708 1.00 0.00 C ATOM 414 NE ARG A 29 -11.217 -6.957 -5.175 1.00 0.00 N ATOM 415 CZ ARG A 29 -11.314 -7.633 -4.033 1.00 0.00 C ATOM 416 NH1 ARG A 29 -12.419 -7.560 -3.301 1.00 0.00 N ATOM 417 NH2 ARG A 29 -10.302 -8.385 -3.622 1.00 0.00 N ATOM 0 H ARG A 29 -9.228 -2.961 -8.813 1.00 0.00 H new ATOM 0 HA ARG A 29 -11.937 -3.913 -9.066 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -10.397 -4.194 -6.516 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.020 -3.545 -6.389 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.832 -5.563 -7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.215 -6.225 -7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.450 -5.271 -5.026 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.207 -6.671 -5.760 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.352 -7.039 -5.710 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.200 -6.983 -3.613 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.487 -8.081 -2.427 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.451 -8.445 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.375 -8.904 -2.747 1.00 0.00 H new ATOM 431 N ARG A 30 -12.388 -1.489 -9.079 1.00 0.00 N ATOM 432 CA ARG A 30 -12.732 -0.071 -9.067 1.00 0.00 C ATOM 433 C ARG A 30 -13.238 0.356 -7.693 1.00 0.00 C ATOM 434 O ARG A 30 -13.293 -0.448 -6.763 1.00 0.00 O ATOM 435 CB ARG A 30 -13.793 0.226 -10.129 1.00 0.00 C ATOM 436 CG ARG A 30 -13.211 0.584 -11.487 1.00 0.00 C ATOM 437 CD ARG A 30 -14.203 0.316 -12.609 1.00 0.00 C ATOM 438 NE ARG A 30 -14.718 1.553 -13.191 1.00 0.00 N ATOM 439 CZ ARG A 30 -15.691 2.281 -12.647 1.00 0.00 C ATOM 440 NH1 ARG A 30 -16.257 1.901 -11.508 1.00 0.00 N ATOM 441 NH2 ARG A 30 -16.099 3.393 -13.243 1.00 0.00 N ATOM 0 H ARG A 30 -12.908 -2.043 -9.759 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.830 0.498 -9.294 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.440 -0.645 -10.238 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.421 1.048 -9.784 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.926 1.636 -11.496 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.302 0.007 -11.658 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.720 -0.277 -13.386 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -15.033 -0.277 -12.225 1.00 0.00 H new ATOM 0 HE ARG A 30 -14.308 1.878 -14.066 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.947 1.047 -11.044 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -17.002 2.463 -11.096 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.667 3.690 -14.118 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.844 3.951 -12.826 1.00 0.00 H new ATOM 455 N LYS A 31 -13.606 1.628 -7.573 1.00 0.00 N ATOM 456 CA LYS A 31 -14.108 2.163 -6.313 1.00 0.00 C ATOM 457 C LYS A 31 -15.359 1.416 -5.863 1.00 0.00 C ATOM 458 O LYS A 31 -15.780 0.451 -6.501 1.00 0.00 O ATOM 459 CB LYS A 31 -14.414 3.656 -6.455 1.00 0.00 C ATOM 460 CG LYS A 31 -13.237 4.554 -6.111 1.00 0.00 C ATOM 461 CD LYS A 31 -13.700 5.887 -5.546 1.00 0.00 C ATOM 462 CE LYS A 31 -13.694 6.974 -6.607 1.00 0.00 C ATOM 463 NZ LYS A 31 -13.260 8.288 -6.055 1.00 0.00 N ATOM 0 H LYS A 31 -13.566 2.307 -8.333 1.00 0.00 H new ATOM 0 HA LYS A 31 -13.335 2.027 -5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.727 3.858 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -15.254 3.909 -5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.596 4.053 -5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.635 4.725 -7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.705 5.781 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.050 6.179 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.028 6.684 -7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.693 7.071 -7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.270 9.002 -6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.910 8.578 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.297 8.203 -5.672 1.00 0.00 H new ATOM 477 N ILE A 32 -15.949 1.868 -4.762 1.00 0.00 N ATOM 478 CA ILE A 32 -17.148 1.246 -4.227 1.00 0.00 C ATOM 479 C ILE A 32 -18.071 2.287 -3.601 1.00 0.00 C ATOM 480 O ILE A 32 -17.741 2.891 -2.580 1.00 0.00 O ATOM 481 CB ILE A 32 -16.822 0.162 -3.174 1.00 0.00 C ATOM 482 CG1 ILE A 32 -15.309 -0.013 -3.011 1.00 0.00 C ATOM 483 CG2 ILE A 32 -17.471 -1.160 -3.556 1.00 0.00 C ATOM 484 CD1 ILE A 32 -14.633 1.163 -2.340 1.00 0.00 C ATOM 0 H ILE A 32 -15.613 2.666 -4.223 1.00 0.00 H new ATOM 0 HA ILE A 32 -17.650 0.769 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 32 -17.228 0.489 -2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -15.116 -0.914 -2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.861 -0.167 -3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -17.232 -1.913 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -18.552 -1.032 -3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -17.094 -1.483 -4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.563 0.970 -2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.795 2.063 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -15.053 1.305 -1.344 1.00 0.00 H new ATOM 496 N ILE A 33 -19.229 2.492 -4.221 1.00 0.00 N ATOM 497 CA ILE A 33 -20.198 3.458 -3.728 1.00 0.00 C ATOM 498 C ILE A 33 -20.918 2.931 -2.490 1.00 0.00 C ATOM 499 O ILE A 33 -21.633 1.931 -2.553 1.00 0.00 O ATOM 500 CB ILE A 33 -21.235 3.819 -4.814 1.00 0.00 C ATOM 501 CG1 ILE A 33 -22.174 4.930 -4.316 1.00 0.00 C ATOM 502 CG2 ILE A 33 -22.015 2.582 -5.249 1.00 0.00 C ATOM 503 CD1 ILE A 33 -23.426 4.430 -3.619 1.00 0.00 C ATOM 0 H ILE A 33 -19.517 2.000 -5.067 1.00 0.00 H new ATOM 0 HA ILE A 33 -19.645 4.358 -3.460 1.00 0.00 H new ATOM 0 HB ILE A 33 -20.705 4.198 -5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -21.623 5.573 -3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -22.468 5.548 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -22.740 2.859 -6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -21.326 1.841 -5.654 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -22.538 2.161 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -24.030 5.280 -3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -24.003 3.812 -4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -23.146 3.838 -2.748 1.00 0.00 H new ATOM 515 N LEU A 34 -20.720 3.609 -1.364 1.00 0.00 N ATOM 516 CA LEU A 34 -21.344 3.213 -0.114 1.00 0.00 C ATOM 517 C LEU A 34 -22.134 4.366 0.498 1.00 0.00 C ATOM 518 O LEU A 34 -22.276 4.453 1.718 1.00 0.00 O ATOM 519 CB LEU A 34 -20.290 2.712 0.872 1.00 0.00 C ATOM 520 CG LEU A 34 -20.412 1.237 1.257 1.00 0.00 C ATOM 521 CD1 LEU A 34 -19.631 0.366 0.286 1.00 0.00 C ATOM 522 CD2 LEU A 34 -19.926 1.017 2.682 1.00 0.00 C ATOM 0 H LEU A 34 -20.129 4.438 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 34 -22.040 2.402 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.303 2.879 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -20.347 3.314 1.779 1.00 0.00 H new ATOM 0 HG LEU A 34 -21.463 0.953 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.729 -0.680 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -20.024 0.502 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.579 0.651 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.020 -0.038 2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -18.881 1.318 2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.528 1.613 3.368 1.00 0.00 H new ATOM 534 N SER A 35 -22.647 5.249 -0.354 1.00 0.00 N ATOM 535 CA SER A 35 -23.423 6.395 0.109 1.00 0.00 C ATOM 536 C SER A 35 -24.556 5.954 1.030 1.00 0.00 C ATOM 537 O SER A 35 -25.011 6.716 1.883 1.00 0.00 O ATOM 538 CB SER A 35 -23.982 7.173 -1.080 1.00 0.00 C ATOM 539 OG SER A 35 -23.477 8.496 -1.107 1.00 0.00 O ATOM 0 H SER A 35 -22.540 5.193 -1.367 1.00 0.00 H new ATOM 0 HA SER A 35 -22.758 7.046 0.676 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.722 6.662 -2.007 1.00 0.00 H new ATOM 0 HB3 SER A 35 -25.070 7.197 -1.024 1.00 0.00 H new ATOM 0 HG SER A 35 -23.849 8.972 -1.879 1.00 0.00 H new ATOM 545 N ASP A 36 -25.004 4.719 0.850 1.00 0.00 N ATOM 546 CA ASP A 36 -26.079 4.168 1.660 1.00 0.00 C ATOM 547 C ASP A 36 -25.561 3.739 3.029 1.00 0.00 C ATOM 548 O ASP A 36 -26.106 4.131 4.060 1.00 0.00 O ATOM 549 CB ASP A 36 -26.723 2.977 0.948 1.00 0.00 C ATOM 550 CG ASP A 36 -28.222 2.916 1.166 1.00 0.00 C ATOM 551 OD1 ASP A 36 -28.955 3.641 0.460 1.00 0.00 O ATOM 552 OD2 ASP A 36 -28.664 2.143 2.042 1.00 0.00 O ATOM 0 H ASP A 36 -24.637 4.078 0.147 1.00 0.00 H new ATOM 0 HA ASP A 36 -26.830 4.945 1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -26.516 3.040 -0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -26.268 2.053 1.306 1.00 0.00 H new ATOM 557 N GLU A 37 -24.505 2.930 3.029 1.00 0.00 N ATOM 558 CA GLU A 37 -23.913 2.447 4.270 1.00 0.00 C ATOM 559 C GLU A 37 -23.297 3.592 5.065 1.00 0.00 C ATOM 560 O GLU A 37 -23.213 3.536 6.292 1.00 0.00 O ATOM 561 CB GLU A 37 -22.859 1.383 3.975 1.00 0.00 C ATOM 562 CG GLU A 37 -23.187 0.024 4.565 1.00 0.00 C ATOM 563 CD GLU A 37 -22.148 -0.448 5.564 1.00 0.00 C ATOM 564 OE1 GLU A 37 -21.181 -1.118 5.143 1.00 0.00 O ATOM 565 OE2 GLU A 37 -22.301 -0.147 6.766 1.00 0.00 O ATOM 0 H GLU A 37 -24.043 2.596 2.183 1.00 0.00 H new ATOM 0 HA GLU A 37 -24.706 2.003 4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -22.747 1.284 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -21.898 1.717 4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -24.160 0.070 5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -23.269 -0.706 3.760 1.00 0.00 H new ATOM 572 N GLY A 38 -22.872 4.630 4.357 1.00 0.00 N ATOM 573 CA GLY A 38 -22.272 5.778 5.008 1.00 0.00 C ATOM 574 C GLY A 38 -20.971 5.439 5.706 1.00 0.00 C ATOM 575 O GLY A 38 -20.574 6.111 6.658 1.00 0.00 O ATOM 0 H GLY A 38 -22.932 4.697 3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -22.090 6.557 4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.974 6.187 5.735 1.00 0.00 H new ATOM 579 N LYS A 39 -20.303 4.402 5.222 1.00 0.00 N ATOM 580 CA LYS A 39 -19.038 3.977 5.782 1.00 0.00 C ATOM 581 C LYS A 39 -18.133 3.442 4.684 1.00 0.00 C ATOM 582 O LYS A 39 -18.148 2.252 4.369 1.00 0.00 O ATOM 583 CB LYS A 39 -19.258 2.908 6.854 1.00 0.00 C ATOM 584 CG LYS A 39 -18.294 3.014 8.025 1.00 0.00 C ATOM 585 CD LYS A 39 -18.924 3.743 9.201 1.00 0.00 C ATOM 586 CE LYS A 39 -18.515 3.119 10.526 1.00 0.00 C ATOM 587 NZ LYS A 39 -19.630 3.130 11.513 1.00 0.00 N ATOM 0 H LYS A 39 -20.624 3.838 4.435 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.557 4.838 6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -20.279 2.984 7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -19.157 1.923 6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.987 2.016 8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -17.393 3.540 7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -18.625 4.791 9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -20.010 3.719 9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.189 2.093 10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.663 3.662 10.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.311 2.696 12.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.925 4.111 11.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -20.434 2.591 11.134 1.00 0.00 H new ATOM 601 N MET A 40 -17.341 4.333 4.115 1.00 0.00 N ATOM 602 CA MET A 40 -16.413 3.977 3.058 1.00 0.00 C ATOM 603 C MET A 40 -15.179 4.869 3.108 1.00 0.00 C ATOM 604 O MET A 40 -15.115 5.898 2.435 1.00 0.00 O ATOM 605 CB MET A 40 -17.089 4.089 1.691 1.00 0.00 C ATOM 606 CG MET A 40 -16.377 3.315 0.594 1.00 0.00 C ATOM 607 SD MET A 40 -15.314 4.363 -0.418 1.00 0.00 S ATOM 608 CE MET A 40 -16.534 5.254 -1.380 1.00 0.00 C ATOM 0 H MET A 40 -17.323 5.320 4.372 1.00 0.00 H new ATOM 0 HA MET A 40 -16.102 2.943 3.210 1.00 0.00 H new ATOM 0 HB2 MET A 40 -18.114 3.728 1.772 1.00 0.00 H new ATOM 0 HB3 MET A 40 -17.142 5.140 1.407 1.00 0.00 H new ATOM 0 HG2 MET A 40 -15.778 2.523 1.044 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.117 2.832 -0.044 1.00 0.00 H new ATOM 0 HE1 MET A 40 -16.387 5.042 -2.439 1.00 0.00 H new ATOM 0 HE2 MET A 40 -17.534 4.938 -1.082 1.00 0.00 H new ATOM 0 HE3 MET A 40 -16.424 6.324 -1.205 1.00 0.00 H new ATOM 618 N TYR A 41 -14.205 4.466 3.911 1.00 0.00 N ATOM 619 CA TYR A 41 -12.970 5.223 4.057 1.00 0.00 C ATOM 620 C TYR A 41 -12.129 5.152 2.786 1.00 0.00 C ATOM 621 O TYR A 41 -12.429 4.380 1.875 1.00 0.00 O ATOM 622 CB TYR A 41 -12.167 4.702 5.248 1.00 0.00 C ATOM 623 CG TYR A 41 -11.972 5.727 6.343 1.00 0.00 C ATOM 624 CD1 TYR A 41 -12.974 5.977 7.272 1.00 0.00 C ATOM 625 CD2 TYR A 41 -10.787 6.443 6.447 1.00 0.00 C ATOM 626 CE1 TYR A 41 -12.800 6.913 8.274 1.00 0.00 C ATOM 627 CE2 TYR A 41 -10.605 7.380 7.446 1.00 0.00 C ATOM 628 CZ TYR A 41 -11.614 7.611 8.357 1.00 0.00 C ATOM 629 OH TYR A 41 -11.436 8.543 9.354 1.00 0.00 O ATOM 0 H TYR A 41 -14.246 3.616 4.473 1.00 0.00 H new ATOM 0 HA TYR A 41 -13.233 6.266 4.234 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.673 3.831 5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -11.191 4.366 4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -13.904 5.431 7.210 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.994 6.265 5.735 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -13.589 7.097 8.988 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.677 7.929 7.513 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.546 8.944 9.272 1.00 0.00 H new ATOM 639 N GLY A 42 -11.076 5.961 2.733 1.00 0.00 N ATOM 640 CA GLY A 42 -10.209 5.974 1.569 1.00 0.00 C ATOM 641 C GLY A 42 -9.587 4.620 1.294 1.00 0.00 C ATOM 642 O GLY A 42 -9.412 3.812 2.206 1.00 0.00 O ATOM 0 H GLY A 42 -10.808 6.608 3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.781 6.291 0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.419 6.710 1.717 1.00 0.00 H new ATOM 646 N ARG A 43 -9.253 4.370 0.032 1.00 0.00 N ATOM 647 CA ARG A 43 -8.647 3.104 -0.362 1.00 0.00 C ATOM 648 C ARG A 43 -7.293 2.908 0.312 1.00 0.00 C ATOM 649 O ARG A 43 -6.840 1.780 0.503 1.00 0.00 O ATOM 650 CB ARG A 43 -8.495 3.039 -1.880 1.00 0.00 C ATOM 651 CG ARG A 43 -9.324 1.941 -2.528 1.00 0.00 C ATOM 652 CD ARG A 43 -8.536 1.204 -3.600 1.00 0.00 C ATOM 653 NE ARG A 43 -8.302 2.037 -4.777 1.00 0.00 N ATOM 654 CZ ARG A 43 -7.386 1.769 -5.705 1.00 0.00 C ATOM 655 NH1 ARG A 43 -6.616 0.693 -5.595 1.00 0.00 N ATOM 656 NH2 ARG A 43 -7.239 2.578 -6.745 1.00 0.00 N ATOM 0 H ARG A 43 -9.392 5.028 -0.735 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.307 2.299 -0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.782 4.000 -2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.445 2.882 -2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.652 1.234 -1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.222 2.374 -2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.580 0.880 -3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.077 0.305 -3.894 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.874 2.873 -4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.725 0.067 -4.797 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.916 0.492 -6.309 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.828 3.406 -6.834 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.537 2.372 -7.456 1.00 0.00 H new ATOM 670 N ASN A 44 -6.654 4.015 0.669 1.00 0.00 N ATOM 671 CA ASN A 44 -5.352 3.970 1.322 1.00 0.00 C ATOM 672 C ASN A 44 -5.451 3.323 2.699 1.00 0.00 C ATOM 673 O ASN A 44 -4.477 2.770 3.209 1.00 0.00 O ATOM 674 CB ASN A 44 -4.771 5.377 1.442 1.00 0.00 C ATOM 675 CG ASN A 44 -3.491 5.545 0.647 1.00 0.00 C ATOM 676 OD1 ASN A 44 -2.822 4.568 0.311 1.00 0.00 O ATOM 677 ND2 ASN A 44 -3.143 6.790 0.342 1.00 0.00 N ATOM 0 H ASN A 44 -7.017 4.956 0.517 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.687 3.363 0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.508 6.102 1.096 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.575 5.598 2.491 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.291 6.965 -0.191 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.727 7.571 0.641 1.00 0.00 H new ATOM 684 N GLU A 45 -6.634 3.398 3.294 1.00 0.00 N ATOM 685 CA GLU A 45 -6.865 2.822 4.610 1.00 0.00 C ATOM 686 C GLU A 45 -6.892 1.299 4.547 1.00 0.00 C ATOM 687 O GLU A 45 -6.620 0.621 5.537 1.00 0.00 O ATOM 688 CB GLU A 45 -8.178 3.345 5.197 1.00 0.00 C ATOM 689 CG GLU A 45 -8.126 3.572 6.699 1.00 0.00 C ATOM 690 CD GLU A 45 -9.392 3.122 7.401 1.00 0.00 C ATOM 691 OE1 GLU A 45 -10.466 3.148 6.763 1.00 0.00 O ATOM 692 OE2 GLU A 45 -9.310 2.742 8.588 1.00 0.00 O ATOM 0 H GLU A 45 -7.450 3.853 2.884 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.041 3.123 5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.438 4.282 4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.975 2.636 4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.274 3.034 7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.962 4.631 6.897 1.00 0.00 H new ATOM 699 N LEU A 46 -7.225 0.769 3.376 1.00 0.00 N ATOM 700 CA LEU A 46 -7.292 -0.672 3.182 1.00 0.00 C ATOM 701 C LEU A 46 -5.900 -1.277 3.086 1.00 0.00 C ATOM 702 O LEU A 46 -5.654 -2.381 3.572 1.00 0.00 O ATOM 703 CB LEU A 46 -8.100 -1.005 1.929 1.00 0.00 C ATOM 704 CG LEU A 46 -9.309 -1.913 2.160 1.00 0.00 C ATOM 705 CD1 LEU A 46 -10.052 -2.153 0.856 1.00 0.00 C ATOM 706 CD2 LEU A 46 -8.871 -3.233 2.777 1.00 0.00 C ATOM 0 H LEU A 46 -7.453 1.317 2.547 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.792 -1.104 4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.445 -0.074 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.439 -1.483 1.205 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.987 -1.416 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.909 -2.801 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.397 -1.201 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.384 -2.630 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.743 -3.868 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.174 -3.735 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.382 -3.043 3.733 1.00 0.00 H new ATOM 718 N ILE A 47 -4.994 -0.544 2.462 1.00 0.00 N ATOM 719 CA ILE A 47 -3.620 -1.006 2.308 1.00 0.00 C ATOM 720 C ILE A 47 -2.859 -0.845 3.611 1.00 0.00 C ATOM 721 O ILE A 47 -2.000 -1.659 3.950 1.00 0.00 O ATOM 722 CB ILE A 47 -2.853 -0.274 1.175 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.660 0.905 0.619 1.00 0.00 C ATOM 724 CG2 ILE A 47 -2.504 -1.249 0.060 1.00 0.00 C ATOM 725 CD1 ILE A 47 -2.944 1.667 -0.476 1.00 0.00 C ATOM 0 H ILE A 47 -5.182 0.372 2.054 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.683 -2.059 2.033 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.932 0.126 1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.609 0.534 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.894 1.590 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.966 -0.723 -0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.876 -2.047 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.419 -1.677 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.574 2.486 -0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.008 2.068 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.734 0.996 -1.309 1.00 0.00 H new ATOM 737 N ALA A 48 -3.193 0.204 4.343 1.00 0.00 N ATOM 738 CA ALA A 48 -2.558 0.472 5.619 1.00 0.00 C ATOM 739 C ALA A 48 -3.089 -0.474 6.686 1.00 0.00 C ATOM 740 O ALA A 48 -2.408 -0.764 7.670 1.00 0.00 O ATOM 741 CB ALA A 48 -2.767 1.922 6.027 1.00 0.00 C ATOM 0 H ALA A 48 -3.903 0.885 4.073 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.486 0.302 5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.283 2.103 6.987 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.334 2.578 5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.834 2.125 6.115 1.00 0.00 H new ATOM 747 N ARG A 49 -4.304 -0.968 6.475 1.00 0.00 N ATOM 748 CA ARG A 49 -4.915 -1.897 7.407 1.00 0.00 C ATOM 749 C ARG A 49 -4.226 -3.250 7.318 1.00 0.00 C ATOM 750 O ARG A 49 -4.147 -3.990 8.299 1.00 0.00 O ATOM 751 CB ARG A 49 -6.411 -2.044 7.122 1.00 0.00 C ATOM 752 CG ARG A 49 -7.163 -2.811 8.197 1.00 0.00 C ATOM 753 CD ARG A 49 -8.650 -2.886 7.891 1.00 0.00 C ATOM 754 NE ARG A 49 -9.015 -4.149 7.255 1.00 0.00 N ATOM 755 CZ ARG A 49 -9.040 -5.319 7.890 1.00 0.00 C ATOM 756 NH1 ARG A 49 -8.722 -5.390 9.177 1.00 0.00 N ATOM 757 NH2 ARG A 49 -9.384 -6.420 7.237 1.00 0.00 N ATOM 0 H ARG A 49 -4.882 -0.738 5.666 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.797 -1.504 8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.852 -1.052 7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.542 -2.552 6.166 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.756 -3.819 8.278 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.013 -2.328 9.162 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.217 -2.768 8.815 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.928 -2.058 7.239 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.265 -4.134 6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.457 -4.546 9.684 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.743 -6.289 9.659 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.629 -6.371 6.248 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.403 -7.316 7.723 1.00 0.00 H new ATOM 771 N TYR A 50 -3.714 -3.557 6.133 1.00 0.00 N ATOM 772 CA TYR A 50 -3.012 -4.809 5.905 1.00 0.00 C ATOM 773 C TYR A 50 -1.698 -4.823 6.658 1.00 0.00 C ATOM 774 O TYR A 50 -1.419 -5.732 7.440 1.00 0.00 O ATOM 775 CB TYR A 50 -2.755 -5.013 4.422 1.00 0.00 C ATOM 776 CG TYR A 50 -2.542 -6.459 4.035 1.00 0.00 C ATOM 777 CD1 TYR A 50 -1.294 -7.052 4.168 1.00 0.00 C ATOM 778 CD2 TYR A 50 -3.585 -7.229 3.537 1.00 0.00 C ATOM 779 CE1 TYR A 50 -1.089 -8.372 3.817 1.00 0.00 C ATOM 780 CE2 TYR A 50 -3.389 -8.551 3.183 1.00 0.00 C ATOM 781 CZ TYR A 50 -2.140 -9.117 3.325 1.00 0.00 C ATOM 782 OH TYR A 50 -1.941 -10.432 2.974 1.00 0.00 O ATOM 0 H TYR A 50 -3.773 -2.952 5.314 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.639 -5.622 6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.599 -4.616 3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.877 -4.435 4.132 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.469 -6.471 4.553 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.565 -6.788 3.425 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.112 -8.818 3.927 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.210 -9.137 2.797 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.782 -10.814 2.647 1.00 0.00 H new ATOM 792 N ILE A 51 -0.903 -3.798 6.421 1.00 0.00 N ATOM 793 CA ILE A 51 0.385 -3.666 7.077 1.00 0.00 C ATOM 794 C ILE A 51 0.201 -3.496 8.576 1.00 0.00 C ATOM 795 O ILE A 51 1.030 -3.935 9.373 1.00 0.00 O ATOM 796 CB ILE A 51 1.203 -2.479 6.524 1.00 0.00 C ATOM 797 CG1 ILE A 51 0.294 -1.401 5.926 1.00 0.00 C ATOM 798 CG2 ILE A 51 2.204 -2.967 5.487 1.00 0.00 C ATOM 799 CD1 ILE A 51 0.938 -0.033 5.866 1.00 0.00 C ATOM 0 H ILE A 51 -1.127 -3.040 5.776 1.00 0.00 H new ATOM 0 HA ILE A 51 0.940 -4.582 6.873 1.00 0.00 H new ATOM 0 HB ILE A 51 1.745 -2.030 7.356 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.002 -1.701 4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.619 -1.338 6.518 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.774 -2.120 5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.884 -3.684 5.947 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.672 -3.446 4.665 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.237 0.680 5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.205 0.288 6.873 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.836 -0.080 5.250 1.00 0.00 H new ATOM 811 N LYS A 52 -0.899 -2.860 8.949 1.00 0.00 N ATOM 812 CA LYS A 52 -1.215 -2.630 10.349 1.00 0.00 C ATOM 813 C LYS A 52 -1.646 -3.926 11.026 1.00 0.00 C ATOM 814 O LYS A 52 -1.490 -4.089 12.236 1.00 0.00 O ATOM 815 CB LYS A 52 -2.319 -1.579 10.480 1.00 0.00 C ATOM 816 CG LYS A 52 -1.800 -0.150 10.494 1.00 0.00 C ATOM 817 CD LYS A 52 -1.740 0.407 11.907 1.00 0.00 C ATOM 818 CE LYS A 52 -2.091 1.886 11.938 1.00 0.00 C ATOM 819 NZ LYS A 52 -2.030 2.443 13.317 1.00 0.00 N ATOM 0 H LYS A 52 -1.591 -2.492 8.296 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.316 -2.263 10.844 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.019 -1.694 9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.877 -1.763 11.398 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.806 -0.118 10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.446 0.479 9.881 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.429 -0.145 12.546 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.740 0.261 12.315 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.404 2.435 11.294 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.092 2.030 11.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.526 3.357 13.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.484 1.782 13.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.037 2.580 13.592 1.00 0.00 H new ATOM 833 N LEU A 53 -2.192 -4.843 10.236 1.00 0.00 N ATOM 834 CA LEU A 53 -2.650 -6.123 10.753 1.00 0.00 C ATOM 835 C LEU A 53 -1.516 -7.141 10.789 1.00 0.00 C ATOM 836 O LEU A 53 -1.516 -8.058 11.610 1.00 0.00 O ATOM 837 CB LEU A 53 -3.805 -6.657 9.904 1.00 0.00 C ATOM 838 CG LEU A 53 -4.723 -7.653 10.614 1.00 0.00 C ATOM 839 CD1 LEU A 53 -6.128 -7.589 10.035 1.00 0.00 C ATOM 840 CD2 LEU A 53 -4.164 -9.064 10.503 1.00 0.00 C ATOM 0 H LEU A 53 -2.328 -4.721 9.232 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.000 -5.966 11.773 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.405 -5.814 9.562 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.392 -7.136 9.016 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.773 -7.384 11.669 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.768 -8.304 10.552 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.529 -6.584 10.164 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.095 -7.833 8.973 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.829 -9.760 11.014 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.085 -9.342 9.452 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.177 -9.102 10.964 1.00 0.00 H new ATOM 852 N ARG A 54 -0.555 -6.975 9.890 1.00 0.00 N ATOM 853 CA ARG A 54 0.584 -7.879 9.811 1.00 0.00 C ATOM 854 C ARG A 54 1.552 -7.644 10.961 1.00 0.00 C ATOM 855 O ARG A 54 1.829 -8.544 11.754 1.00 0.00 O ATOM 856 CB ARG A 54 1.306 -7.707 8.472 1.00 0.00 C ATOM 857 CG ARG A 54 0.964 -8.782 7.454 1.00 0.00 C ATOM 858 CD ARG A 54 1.878 -9.988 7.590 1.00 0.00 C ATOM 859 NE ARG A 54 2.205 -10.576 6.293 1.00 0.00 N ATOM 860 CZ ARG A 54 2.724 -11.793 6.140 1.00 0.00 C ATOM 861 NH1 ARG A 54 2.975 -12.553 7.199 1.00 0.00 N ATOM 862 NH2 ARG A 54 2.991 -12.251 4.925 1.00 0.00 N ATOM 0 H ARG A 54 -0.542 -6.221 9.204 1.00 0.00 H new ATOM 0 HA ARG A 54 0.209 -8.900 9.885 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.055 -6.731 8.056 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.382 -7.712 8.646 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.072 -9.093 7.586 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.048 -8.372 6.448 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.797 -9.691 8.096 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.397 -10.738 8.217 1.00 0.00 H new ATOM 0 HE ARG A 54 2.025 -10.022 5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.770 -12.206 8.136 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.373 -13.484 7.076 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.799 -11.671 4.108 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.388 -13.183 4.807 1.00 0.00 H new ATOM 876 N THR A 55 2.061 -6.429 11.036 1.00 0.00 N ATOM 877 CA THR A 55 3.004 -6.052 12.079 1.00 0.00 C ATOM 878 C THR A 55 2.283 -5.732 13.385 1.00 0.00 C ATOM 879 O THR A 55 2.873 -5.800 14.463 1.00 0.00 O ATOM 880 CB THR A 55 3.839 -4.851 11.631 1.00 0.00 C ATOM 881 OG1 THR A 55 3.193 -4.152 10.582 1.00 0.00 O ATOM 882 CG2 THR A 55 5.221 -5.231 11.145 1.00 0.00 C ATOM 0 H THR A 55 1.837 -5.679 10.383 1.00 0.00 H new ATOM 0 HA THR A 55 3.666 -6.900 12.256 1.00 0.00 H new ATOM 0 HB THR A 55 3.941 -4.225 12.518 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.992 -3.238 10.873 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.760 -4.333 10.843 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.765 -5.728 11.948 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.134 -5.906 10.294 1.00 0.00 H new ATOM 890 N GLY A 56 1.007 -5.382 13.279 1.00 0.00 N ATOM 891 CA GLY A 56 0.226 -5.056 14.455 1.00 0.00 C ATOM 892 C GLY A 56 0.626 -3.732 15.083 1.00 0.00 C ATOM 893 O GLY A 56 0.151 -3.386 16.165 1.00 0.00 O ATOM 0 H GLY A 56 0.499 -5.318 12.397 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.829 -5.020 14.185 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.340 -5.851 15.192 1.00 0.00 H new ATOM 897 N LYS A 57 1.500 -2.988 14.409 1.00 0.00 N ATOM 898 CA LYS A 57 1.955 -1.703 14.912 1.00 0.00 C ATOM 899 C LYS A 57 2.704 -0.928 13.831 1.00 0.00 C ATOM 900 O LYS A 57 3.927 -1.012 13.726 1.00 0.00 O ATOM 901 CB LYS A 57 2.850 -1.902 16.128 1.00 0.00 C ATOM 902 CG LYS A 57 2.511 -0.986 17.293 1.00 0.00 C ATOM 903 CD LYS A 57 3.383 0.259 17.294 1.00 0.00 C ATOM 904 CE LYS A 57 3.082 1.148 18.489 1.00 0.00 C ATOM 905 NZ LYS A 57 3.429 2.572 18.224 1.00 0.00 N ATOM 0 H LYS A 57 1.905 -3.257 13.512 1.00 0.00 H new ATOM 0 HA LYS A 57 1.080 -1.123 15.205 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.774 -2.938 16.458 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.887 -1.735 15.836 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.462 -0.697 17.236 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.643 -1.525 18.231 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.434 -0.031 17.310 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.221 0.819 16.373 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.024 1.073 18.740 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.641 0.793 19.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.209 3.145 19.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.444 2.648 18.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.877 2.919 17.414 1.00 0.00 H new ATOM 919 N THR A 58 1.959 -0.170 13.032 1.00 0.00 N ATOM 920 CA THR A 58 2.546 0.623 11.965 1.00 0.00 C ATOM 921 C THR A 58 1.739 1.893 11.720 1.00 0.00 C ATOM 922 O THR A 58 0.633 2.049 12.238 1.00 0.00 O ATOM 923 CB THR A 58 2.644 -0.192 10.678 1.00 0.00 C ATOM 924 OG1 THR A 58 2.397 -1.564 10.926 1.00 0.00 O ATOM 925 CG2 THR A 58 3.994 -0.081 10.001 1.00 0.00 C ATOM 0 H THR A 58 0.945 -0.090 13.106 1.00 0.00 H new ATOM 0 HA THR A 58 3.551 0.908 12.277 1.00 0.00 H new ATOM 0 HB THR A 58 1.887 0.228 10.016 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.845 -1.933 10.205 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.996 -0.684 9.093 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.188 0.961 9.746 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.770 -0.440 10.677 1.00 0.00 H new ATOM 933 N ARG A 59 2.293 2.790 10.912 1.00 0.00 N ATOM 934 CA ARG A 59 1.628 4.034 10.578 1.00 0.00 C ATOM 935 C ARG A 59 2.149 4.560 9.248 1.00 0.00 C ATOM 936 O ARG A 59 2.806 5.599 9.187 1.00 0.00 O ATOM 937 CB ARG A 59 1.845 5.073 11.680 1.00 0.00 C ATOM 938 CG ARG A 59 3.307 5.291 12.031 1.00 0.00 C ATOM 939 CD ARG A 59 3.561 6.716 12.498 1.00 0.00 C ATOM 940 NE ARG A 59 4.858 7.217 12.048 1.00 0.00 N ATOM 941 CZ ARG A 59 6.022 6.823 12.558 1.00 0.00 C ATOM 942 NH1 ARG A 59 6.058 5.924 13.534 1.00 0.00 N ATOM 943 NH2 ARG A 59 7.155 7.329 12.091 1.00 0.00 N ATOM 0 H ARG A 59 3.208 2.673 10.476 1.00 0.00 H new ATOM 0 HA ARG A 59 0.558 3.845 10.491 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.410 6.021 11.364 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.308 4.759 12.575 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.603 4.592 12.814 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.927 5.076 11.161 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.771 7.367 12.123 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.515 6.754 13.586 1.00 0.00 H new ATOM 0 HE ARG A 59 4.872 7.909 11.299 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.190 5.531 13.897 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.954 5.626 13.920 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.134 8.020 11.341 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.048 7.027 12.482 1.00 0.00 H new ATOM 957 N THR A 60 1.849 3.827 8.186 1.00 0.00 N ATOM 958 CA THR A 60 2.278 4.200 6.852 1.00 0.00 C ATOM 959 C THR A 60 1.170 3.953 5.830 1.00 0.00 C ATOM 960 O THR A 60 1.006 2.838 5.336 1.00 0.00 O ATOM 961 CB THR A 60 3.536 3.424 6.461 1.00 0.00 C ATOM 962 OG1 THR A 60 3.883 2.484 7.463 1.00 0.00 O ATOM 963 CG2 THR A 60 4.739 4.313 6.229 1.00 0.00 C ATOM 0 H THR A 60 1.306 2.965 8.226 1.00 0.00 H new ATOM 0 HA THR A 60 2.506 5.266 6.858 1.00 0.00 H new ATOM 0 HB THR A 60 3.285 2.925 5.525 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.689 1.998 7.191 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.597 3.700 5.955 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.523 5.015 5.424 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.964 4.866 7.141 1.00 0.00 H new ATOM 971 N ARG A 61 0.414 5.002 5.516 1.00 0.00 N ATOM 972 CA ARG A 61 -0.670 4.900 4.555 1.00 0.00 C ATOM 973 C ARG A 61 -0.333 5.649 3.278 1.00 0.00 C ATOM 974 O ARG A 61 -0.420 5.103 2.178 1.00 0.00 O ATOM 975 CB ARG A 61 -1.971 5.440 5.154 1.00 0.00 C ATOM 976 CG ARG A 61 -2.228 4.966 6.577 1.00 0.00 C ATOM 977 CD ARG A 61 -2.461 6.134 7.522 1.00 0.00 C ATOM 978 NE ARG A 61 -2.956 5.693 8.824 1.00 0.00 N ATOM 979 CZ ARG A 61 -4.173 5.193 9.024 1.00 0.00 C ATOM 980 NH1 ARG A 61 -5.022 5.068 8.011 1.00 0.00 N ATOM 981 NH2 ARG A 61 -4.544 4.817 10.241 1.00 0.00 N ATOM 0 H ARG A 61 0.536 5.932 5.916 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.806 3.846 4.311 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.942 6.530 5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.806 5.136 4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.096 4.307 6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.378 4.380 6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.529 6.684 7.655 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.178 6.824 7.076 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.332 5.773 9.627 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.743 5.356 7.073 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.953 4.684 8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.896 4.911 11.023 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.477 4.434 10.394 1.00 0.00 H new ATOM 995 N LYS A 62 0.061 6.898 3.438 1.00 0.00 N ATOM 996 CA LYS A 62 0.426 7.737 2.306 1.00 0.00 C ATOM 997 C LYS A 62 1.618 7.147 1.566 1.00 0.00 C ATOM 998 O LYS A 62 1.767 7.328 0.358 1.00 0.00 O ATOM 999 CB LYS A 62 0.741 9.155 2.774 1.00 0.00 C ATOM 1000 CG LYS A 62 -0.117 10.220 2.110 1.00 0.00 C ATOM 1001 CD LYS A 62 0.153 10.303 0.617 1.00 0.00 C ATOM 1002 CE LYS A 62 1.210 11.349 0.300 1.00 0.00 C ATOM 1003 NZ LYS A 62 2.557 10.741 0.120 1.00 0.00 N ATOM 0 H LYS A 62 0.138 7.358 4.345 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.421 7.777 1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.604 9.211 3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.791 9.370 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.171 9.997 2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.081 11.188 2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.481 9.330 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.771 10.547 0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.930 11.885 -0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.248 12.083 1.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.212 11.455 -0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.909 10.399 1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.492 9.944 -0.545 1.00 0.00 H new ATOM 1017 N GLN A 63 2.457 6.431 2.302 1.00 0.00 N ATOM 1018 CA GLN A 63 3.631 5.801 1.722 1.00 0.00 C ATOM 1019 C GLN A 63 3.229 4.616 0.852 1.00 0.00 C ATOM 1020 O GLN A 63 3.951 4.236 -0.071 1.00 0.00 O ATOM 1021 CB GLN A 63 4.594 5.353 2.819 1.00 0.00 C ATOM 1022 CG GLN A 63 5.923 6.089 2.800 1.00 0.00 C ATOM 1023 CD GLN A 63 5.912 7.337 3.661 1.00 0.00 C ATOM 1024 OE1 GLN A 63 4.852 7.878 3.976 1.00 0.00 O ATOM 1025 NE2 GLN A 63 7.095 7.800 4.047 1.00 0.00 N ATOM 0 H GLN A 63 2.345 6.273 3.303 1.00 0.00 H new ATOM 0 HA GLN A 63 4.138 6.533 1.094 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.120 5.501 3.789 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.779 4.284 2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.710 5.419 3.148 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.168 6.363 1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.948 7.319 3.762 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.150 8.636 4.628 1.00 0.00 H new ATOM 1034 N VAL A 64 2.070 4.039 1.150 1.00 0.00 N ATOM 1035 CA VAL A 64 1.568 2.902 0.392 1.00 0.00 C ATOM 1036 C VAL A 64 1.098 3.334 -0.987 1.00 0.00 C ATOM 1037 O VAL A 64 1.131 2.555 -1.938 1.00 0.00 O ATOM 1038 CB VAL A 64 0.403 2.190 1.110 1.00 0.00 C ATOM 1039 CG1 VAL A 64 0.211 0.789 0.547 1.00 0.00 C ATOM 1040 CG2 VAL A 64 0.633 2.139 2.613 1.00 0.00 C ATOM 0 H VAL A 64 1.462 4.341 1.911 1.00 0.00 H new ATOM 0 HA VAL A 64 2.400 2.204 0.301 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.506 2.764 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.614 0.299 1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.014 0.852 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.124 0.211 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.204 1.632 3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.554 1.595 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.714 3.153 3.003 1.00 0.00 H new ATOM 1050 N SER A 65 0.668 4.584 -1.091 1.00 0.00 N ATOM 1051 CA SER A 65 0.200 5.124 -2.357 1.00 0.00 C ATOM 1052 C SER A 65 1.383 5.481 -3.238 1.00 0.00 C ATOM 1053 O SER A 65 1.327 5.367 -4.462 1.00 0.00 O ATOM 1054 CB SER A 65 -0.681 6.353 -2.127 1.00 0.00 C ATOM 1055 OG SER A 65 -2.045 5.989 -2.009 1.00 0.00 O ATOM 0 H SER A 65 0.634 5.242 -0.313 1.00 0.00 H new ATOM 0 HA SER A 65 -0.399 4.364 -2.859 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.360 6.870 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.558 7.052 -2.954 1.00 0.00 H new ATOM 0 HG SER A 65 -2.609 6.772 -2.180 1.00 0.00 H new ATOM 1061 N SER A 66 2.457 5.899 -2.592 1.00 0.00 N ATOM 1062 CA SER A 66 3.678 6.264 -3.282 1.00 0.00 C ATOM 1063 C SER A 66 4.348 5.027 -3.855 1.00 0.00 C ATOM 1064 O SER A 66 4.903 5.052 -4.953 1.00 0.00 O ATOM 1065 CB SER A 66 4.620 6.967 -2.319 1.00 0.00 C ATOM 1066 OG SER A 66 5.308 8.031 -2.955 1.00 0.00 O ATOM 0 H SER A 66 2.506 5.994 -1.578 1.00 0.00 H new ATOM 0 HA SER A 66 3.434 6.939 -4.102 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.055 7.352 -1.470 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.340 6.251 -1.923 1.00 0.00 H new ATOM 0 HG SER A 66 5.905 8.466 -2.311 1.00 0.00 H new ATOM 1072 N HIS A 67 4.283 3.948 -3.094 1.00 0.00 N ATOM 1073 CA HIS A 67 4.874 2.681 -3.502 1.00 0.00 C ATOM 1074 C HIS A 67 4.157 2.110 -4.719 1.00 0.00 C ATOM 1075 O HIS A 67 4.738 1.351 -5.495 1.00 0.00 O ATOM 1076 CB HIS A 67 4.833 1.678 -2.349 1.00 0.00 C ATOM 1077 CG HIS A 67 5.759 0.516 -2.534 1.00 0.00 C ATOM 1078 ND1 HIS A 67 5.506 -0.810 -2.644 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 7.128 0.651 -2.626 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 6.714 -1.443 -2.799 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 7.677 -0.540 -2.785 1.00 0.00 N flip ATOM 0 H HIS A 67 3.824 3.923 -2.184 1.00 0.00 H new ATOM 0 HA HIS A 67 5.913 2.866 -3.773 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.088 2.192 -1.422 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.814 1.306 -2.237 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.668 1.585 -2.576 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.854 -2.508 -2.914 1.00 0.00 H new ATOM 0 HE2 HIS A 67 8.675 -0.730 -2.881 1.00 0.00 H new ATOM 1090 N ILE A 68 2.894 2.479 -4.884 1.00 0.00 N ATOM 1091 CA ILE A 68 2.109 2.005 -6.012 1.00 0.00 C ATOM 1092 C ILE A 68 2.482 2.751 -7.289 1.00 0.00 C ATOM 1093 O ILE A 68 2.269 2.254 -8.394 1.00 0.00 O ATOM 1094 CB ILE A 68 0.594 2.152 -5.756 1.00 0.00 C ATOM 1095 CG1 ILE A 68 0.195 1.402 -4.485 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -0.201 1.634 -6.947 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -1.010 1.995 -3.788 1.00 0.00 C ATOM 0 H ILE A 68 2.393 3.104 -4.252 1.00 0.00 H new ATOM 0 HA ILE A 68 2.338 0.946 -6.134 1.00 0.00 H new ATOM 0 HB ILE A 68 0.367 3.210 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.016 0.363 -4.737 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.039 1.398 -3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.267 1.745 -6.749 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.064 2.204 -7.837 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.030 0.581 -7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.237 1.413 -2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.796 3.026 -3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.867 1.974 -4.462 1.00 0.00 H new ATOM 1109 N GLN A 69 3.040 3.946 -7.129 1.00 0.00 N ATOM 1110 CA GLN A 69 3.441 4.757 -8.267 1.00 0.00 C ATOM 1111 C GLN A 69 4.761 4.270 -8.843 1.00 0.00 C ATOM 1112 O GLN A 69 4.990 4.343 -10.050 1.00 0.00 O ATOM 1113 CB GLN A 69 3.553 6.229 -7.864 1.00 0.00 C ATOM 1114 CG GLN A 69 2.367 6.730 -7.056 1.00 0.00 C ATOM 1115 CD GLN A 69 2.201 8.235 -7.136 1.00 0.00 C ATOM 1116 OE1 GLN A 69 2.666 8.873 -8.081 1.00 0.00 O ATOM 1117 NE2 GLN A 69 1.536 8.811 -6.141 1.00 0.00 N ATOM 0 H GLN A 69 3.224 4.373 -6.221 1.00 0.00 H new ATOM 0 HA GLN A 69 2.674 4.661 -9.036 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.464 6.370 -7.282 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.652 6.837 -8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.458 6.248 -7.415 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.492 6.437 -6.014 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.168 8.243 -5.378 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.394 9.821 -6.140 1.00 0.00 H new ATOM 1126 N VAL A 70 5.622 3.761 -7.974 1.00 0.00 N ATOM 1127 CA VAL A 70 6.914 3.247 -8.400 1.00 0.00 C ATOM 1128 C VAL A 70 6.762 1.851 -8.980 1.00 0.00 C ATOM 1129 O VAL A 70 7.495 1.455 -9.886 1.00 0.00 O ATOM 1130 CB VAL A 70 7.959 3.217 -7.256 1.00 0.00 C ATOM 1131 CG1 VAL A 70 8.978 4.330 -7.435 1.00 0.00 C ATOM 1132 CG2 VAL A 70 7.299 3.314 -5.887 1.00 0.00 C ATOM 0 H VAL A 70 5.449 3.693 -6.971 1.00 0.00 H new ATOM 0 HA VAL A 70 7.283 3.933 -9.162 1.00 0.00 H new ATOM 0 HB VAL A 70 8.473 2.257 -7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.704 4.293 -6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.493 4.202 -8.387 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.470 5.294 -7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.065 3.290 -5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.741 4.248 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.618 2.474 -5.751 1.00 0.00 H new ATOM 1142 N LEU A 71 5.791 1.117 -8.458 1.00 0.00 N ATOM 1143 CA LEU A 71 5.519 -0.230 -8.925 1.00 0.00 C ATOM 1144 C LEU A 71 4.794 -0.190 -10.264 1.00 0.00 C ATOM 1145 O LEU A 71 4.891 -1.119 -11.065 1.00 0.00 O ATOM 1146 CB LEU A 71 4.693 -0.997 -7.895 1.00 0.00 C ATOM 1147 CG LEU A 71 5.367 -2.245 -7.323 1.00 0.00 C ATOM 1148 CD1 LEU A 71 6.234 -1.883 -6.128 1.00 0.00 C ATOM 1149 CD2 LEU A 71 4.324 -3.282 -6.933 1.00 0.00 C ATOM 0 H LEU A 71 5.177 1.435 -7.708 1.00 0.00 H new ATOM 0 HA LEU A 71 6.469 -0.748 -9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.451 -0.324 -7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.749 -1.291 -8.355 1.00 0.00 H new ATOM 0 HG LEU A 71 6.008 -2.674 -8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.705 -2.784 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.004 -1.176 -6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.615 -1.429 -5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.821 -4.163 -6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.658 -2.862 -6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.745 -3.564 -7.812 1.00 0.00 H new ATOM 1161 N ALA A 72 4.072 0.901 -10.501 1.00 0.00 N ATOM 1162 CA ALA A 72 3.336 1.074 -11.742 1.00 0.00 C ATOM 1163 C ALA A 72 4.283 1.376 -12.895 1.00 0.00 C ATOM 1164 O ALA A 72 3.993 1.063 -14.050 1.00 0.00 O ATOM 1165 CB ALA A 72 2.303 2.181 -11.596 1.00 0.00 C ATOM 0 H ALA A 72 3.983 1.678 -9.846 1.00 0.00 H new ATOM 0 HA ALA A 72 2.817 0.142 -11.964 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.760 2.298 -12.534 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.603 1.923 -10.801 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.805 3.116 -11.348 1.00 0.00 H new ATOM 1171 N ARG A 73 5.417 1.984 -12.572 1.00 0.00 N ATOM 1172 CA ARG A 73 6.412 2.328 -13.577 1.00 0.00 C ATOM 1173 C ARG A 73 7.128 1.082 -14.080 1.00 0.00 C ATOM 1174 O ARG A 73 7.548 1.015 -15.235 1.00 0.00 O ATOM 1175 CB ARG A 73 7.425 3.323 -13.008 1.00 0.00 C ATOM 1176 CG ARG A 73 7.041 4.777 -13.231 1.00 0.00 C ATOM 1177 CD ARG A 73 7.765 5.368 -14.430 1.00 0.00 C ATOM 1178 NE ARG A 73 7.408 4.690 -15.674 1.00 0.00 N ATOM 1179 CZ ARG A 73 8.130 4.761 -16.790 1.00 0.00 C ATOM 1180 NH1 ARG A 73 9.247 5.477 -16.822 1.00 0.00 N ATOM 1181 NH2 ARG A 73 7.734 4.113 -17.877 1.00 0.00 N ATOM 0 H ARG A 73 5.670 2.249 -11.620 1.00 0.00 H new ATOM 0 HA ARG A 73 5.897 2.792 -14.418 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.535 3.145 -11.938 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.398 3.139 -13.464 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.964 4.851 -13.383 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.278 5.358 -12.339 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.524 6.428 -14.513 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.842 5.297 -14.275 1.00 0.00 H new ATOM 0 HE ARG A 73 6.556 4.130 -15.688 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.557 5.977 -15.988 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.796 5.528 -17.680 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.877 3.561 -17.858 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.287 4.167 -18.733 1.00 0.00 H new ATOM 1195 N ARG A 74 7.259 0.097 -13.203 1.00 0.00 N ATOM 1196 CA ARG A 74 7.919 -1.152 -13.548 1.00 0.00 C ATOM 1197 C ARG A 74 6.997 -2.043 -14.372 1.00 0.00 C ATOM 1198 O ARG A 74 7.452 -2.844 -15.188 1.00 0.00 O ATOM 1199 CB ARG A 74 8.365 -1.887 -12.283 1.00 0.00 C ATOM 1200 CG ARG A 74 9.501 -1.195 -11.547 1.00 0.00 C ATOM 1201 CD ARG A 74 9.372 -1.363 -10.041 1.00 0.00 C ATOM 1202 NE ARG A 74 9.810 -2.684 -9.598 1.00 0.00 N ATOM 1203 CZ ARG A 74 11.086 -3.034 -9.458 1.00 0.00 C ATOM 1204 NH1 ARG A 74 12.053 -2.165 -9.726 1.00 0.00 N ATOM 1205 NH2 ARG A 74 11.397 -4.257 -9.049 1.00 0.00 N ATOM 0 H ARG A 74 6.915 0.140 -12.244 1.00 0.00 H new ATOM 0 HA ARG A 74 8.798 -0.916 -14.148 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.513 -1.985 -11.610 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.678 -2.896 -12.550 1.00 0.00 H new ATOM 0 HG2 ARG A 74 10.455 -1.605 -11.880 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.505 -0.134 -11.797 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.964 -0.598 -9.539 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.334 -1.208 -9.747 1.00 0.00 H new ATOM 0 HE ARG A 74 9.095 -3.379 -9.383 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.820 -1.223 -10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.029 -2.439 -9.617 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.658 -4.929 -8.842 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.375 -4.526 -8.942 1.00 0.00 H new ATOM 1219 N LYS A 75 5.699 -1.894 -14.148 1.00 0.00 N ATOM 1220 CA LYS A 75 4.702 -2.677 -14.860 1.00 0.00 C ATOM 1221 C LYS A 75 4.375 -2.057 -16.216 1.00 0.00 C ATOM 1222 O LYS A 75 3.831 -2.723 -17.097 1.00 0.00 O ATOM 1223 CB LYS A 75 3.428 -2.802 -14.023 1.00 0.00 C ATOM 1224 CG LYS A 75 2.712 -4.131 -14.198 1.00 0.00 C ATOM 1225 CD LYS A 75 1.238 -4.021 -13.842 1.00 0.00 C ATOM 1226 CE LYS A 75 0.533 -5.362 -13.972 1.00 0.00 C ATOM 1227 NZ LYS A 75 -0.854 -5.212 -14.491 1.00 0.00 N ATOM 0 H LYS A 75 5.311 -1.234 -13.474 1.00 0.00 H new ATOM 0 HA LYS A 75 5.118 -3.670 -15.031 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.680 -2.671 -12.971 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.747 -1.994 -14.291 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.814 -4.467 -15.230 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.184 -4.885 -13.569 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.135 -3.652 -12.822 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.758 -3.291 -14.494 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.103 -6.008 -14.640 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.506 -5.853 -12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.300 -6.149 -14.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.405 -4.616 -13.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.827 -4.766 -15.430 1.00 0.00 H new ATOM 1241 N SER A 76 4.708 -0.779 -16.379 1.00 0.00 N ATOM 1242 CA SER A 76 4.445 -0.075 -17.630 1.00 0.00 C ATOM 1243 C SER A 76 5.136 -0.758 -18.805 1.00 0.00 C ATOM 1244 O SER A 76 4.753 -0.565 -19.959 1.00 0.00 O ATOM 1245 CB SER A 76 4.901 1.381 -17.527 1.00 0.00 C ATOM 1246 OG SER A 76 3.875 2.201 -16.997 1.00 0.00 O ATOM 0 H SER A 76 5.159 -0.211 -15.662 1.00 0.00 H new ATOM 0 HA SER A 76 3.370 -0.100 -17.808 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.785 1.444 -16.893 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.189 1.746 -18.513 1.00 0.00 H new ATOM 0 HG SER A 76 3.748 1.993 -16.048 1.00 0.00 H new ATOM 1252 N ARG A 77 6.152 -1.560 -18.508 1.00 0.00 N ATOM 1253 CA ARG A 77 6.887 -2.274 -19.545 1.00 0.00 C ATOM 1254 C ARG A 77 5.967 -3.217 -20.318 1.00 0.00 C ATOM 1255 O ARG A 77 6.306 -3.668 -21.412 1.00 0.00 O ATOM 1256 CB ARG A 77 8.043 -3.063 -18.928 1.00 0.00 C ATOM 1257 CG ARG A 77 9.251 -2.206 -18.586 1.00 0.00 C ATOM 1258 CD ARG A 77 9.951 -2.704 -17.332 1.00 0.00 C ATOM 1259 NE ARG A 77 10.911 -3.765 -17.626 1.00 0.00 N ATOM 1260 CZ ARG A 77 11.811 -4.213 -16.754 1.00 0.00 C ATOM 1261 NH1 ARG A 77 11.877 -3.696 -15.533 1.00 0.00 N ATOM 1262 NH2 ARG A 77 12.647 -5.181 -17.103 1.00 0.00 N ATOM 0 H ARG A 77 6.485 -1.732 -17.559 1.00 0.00 H new ATOM 0 HA ARG A 77 7.288 -1.538 -20.241 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.691 -3.558 -18.023 1.00 0.00 H new ATOM 0 HB3 ARG A 77 8.348 -3.846 -19.622 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.951 -2.212 -19.421 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.936 -1.172 -18.442 1.00 0.00 H new ATOM 0 HD2 ARG A 77 10.466 -1.873 -16.850 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.208 -3.073 -16.624 1.00 0.00 H new ATOM 0 HE ARG A 77 10.890 -4.187 -18.554 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.236 -2.951 -15.259 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.569 -4.043 -14.869 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.600 -5.582 -18.040 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.337 -5.525 -16.435 1.00 0.00 H new ATOM 1276 N ASP A 78 4.802 -3.513 -19.744 1.00 0.00 N ATOM 1277 CA ASP A 78 3.840 -4.401 -20.383 1.00 0.00 C ATOM 1278 C ASP A 78 3.237 -3.761 -21.631 1.00 0.00 C ATOM 1279 O ASP A 78 2.703 -4.453 -22.497 1.00 0.00 O ATOM 1280 CB ASP A 78 2.734 -4.778 -19.399 1.00 0.00 C ATOM 1281 CG ASP A 78 2.695 -6.266 -19.113 1.00 0.00 C ATOM 1282 OD1 ASP A 78 3.403 -6.711 -18.185 1.00 0.00 O ATOM 1283 OD2 ASP A 78 1.956 -6.987 -19.816 1.00 0.00 O ATOM 0 H ASP A 78 4.504 -3.150 -18.839 1.00 0.00 H new ATOM 0 HA ASP A 78 4.369 -5.303 -20.689 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.882 -4.235 -18.465 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.771 -4.463 -19.801 1.00 0.00 H new