USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=-0.47) USER MOD Single : A 28 GLN : amide:sc= -1.04 K(o=-1,f=-0.31) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0475 K(o=-0.047,f=-3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0569 X(o=-0.057,f=-0.057) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -4.53! K(o=-4.5!,f=-3.4) USER MOD Single : A 67 SER OG : rot -38:sc= 0.0202 USER MOD Single : A 68 GLN : amide:sc= -0.731 K(o=-0.73,f=-0.19) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.807! USER MOD Single : A 81 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0181) USER MOD Single : A 82 GLN : amide:sc= -0.953 K(o=-0.95,f=-2.7) USER MOD Single : A 83 MET CE :methyl 153:sc= -5.22 (180deg=-10.1!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -2.52! K(o=-2.5!,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 151 N TRP A 14 -2.273 -1.619 8.067 1.00 0.00 N ATOM 152 CA TRP A 14 -1.059 -0.811 8.113 1.00 0.00 C ATOM 153 C TRP A 14 -1.153 0.252 9.202 1.00 0.00 C ATOM 154 O TRP A 14 -0.157 0.589 9.840 1.00 0.00 O ATOM 155 CB TRP A 14 -0.811 -0.149 6.757 1.00 0.00 C ATOM 156 CG TRP A 14 -1.974 0.660 6.269 1.00 0.00 C ATOM 157 CD1 TRP A 14 -2.922 0.272 5.367 1.00 0.00 C ATOM 158 CD2 TRP A 14 -2.310 1.997 6.657 1.00 0.00 C ATOM 159 NE1 TRP A 14 -3.828 1.287 5.170 1.00 0.00 N ATOM 160 CE2 TRP A 14 -3.475 2.355 5.951 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.742 2.925 7.534 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -4.079 3.602 6.095 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -2.342 4.162 7.675 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.501 4.491 6.960 1.00 0.00 C ATOM 0 HA TRP A 14 -0.223 -1.470 8.346 1.00 0.00 H new ATOM 0 HB2 TRP A 14 0.065 0.495 6.830 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.580 -0.920 6.022 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.955 -0.691 4.880 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.632 1.251 4.544 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.850 2.680 8.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.972 3.858 5.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.910 4.888 8.348 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.947 5.465 7.094 1.00 0.00 H new ATOM 175 N GLU A 15 -2.358 0.776 9.409 1.00 0.00 N ATOM 176 CA GLU A 15 -2.580 1.802 10.421 1.00 0.00 C ATOM 177 C GLU A 15 -2.153 1.307 11.800 1.00 0.00 C ATOM 178 O GLU A 15 -1.942 2.100 12.719 1.00 0.00 O ATOM 179 CB GLU A 15 -4.054 2.213 10.448 1.00 0.00 C ATOM 180 CG GLU A 15 -4.940 1.250 11.220 1.00 0.00 C ATOM 181 CD GLU A 15 -4.995 1.568 12.702 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.508 2.650 13.094 1.00 0.00 O ATOM 183 OE2 GLU A 15 -5.524 0.737 13.469 1.00 0.00 O ATOM 0 H GLU A 15 -3.194 0.507 8.890 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.973 2.670 10.161 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.138 3.205 10.891 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.420 2.289 9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.949 1.280 10.808 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.571 0.234 11.084 1.00 0.00 H new ATOM 190 N LEU A 16 -2.029 -0.009 11.937 1.00 0.00 N ATOM 191 CA LEU A 16 -1.628 -0.611 13.204 1.00 0.00 C ATOM 192 C LEU A 16 -0.162 -0.320 13.506 1.00 0.00 C ATOM 193 O LEU A 16 0.218 -0.133 14.661 1.00 0.00 O ATOM 194 CB LEU A 16 -1.864 -2.122 13.170 1.00 0.00 C ATOM 195 CG LEU A 16 -3.304 -2.582 13.398 1.00 0.00 C ATOM 196 CD1 LEU A 16 -3.440 -4.070 13.116 1.00 0.00 C ATOM 197 CD2 LEU A 16 -3.746 -2.265 14.820 1.00 0.00 C ATOM 0 H LEU A 16 -2.200 -0.679 11.187 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.236 -0.172 13.995 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.532 -2.500 12.203 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.232 -2.585 13.927 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.951 -2.041 12.708 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.472 -4.379 13.284 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.165 -4.271 12.081 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.781 -4.628 13.781 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.773 -2.599 14.965 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.094 -2.779 15.527 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.687 -1.190 14.988 1.00 0.00 H new ATOM 209 N GLN A 17 0.656 -0.282 12.458 1.00 0.00 N ATOM 210 CA GLN A 17 2.081 -0.012 12.612 1.00 0.00 C ATOM 211 C GLN A 17 2.339 1.485 12.752 1.00 0.00 C ATOM 212 O GLN A 17 3.266 1.902 13.446 1.00 0.00 O ATOM 213 CB GLN A 17 2.858 -0.566 11.417 1.00 0.00 C ATOM 214 CG GLN A 17 2.735 -2.073 11.257 1.00 0.00 C ATOM 215 CD GLN A 17 3.811 -2.829 12.012 1.00 0.00 C ATOM 216 OE1 GLN A 17 3.875 -2.779 13.241 1.00 0.00 O ATOM 217 NE2 GLN A 17 4.663 -3.537 11.279 1.00 0.00 N ATOM 0 H GLN A 17 0.357 -0.435 11.495 1.00 0.00 H new ATOM 0 HA GLN A 17 2.423 -0.508 13.520 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.503 -0.082 10.507 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.911 -0.305 11.526 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.755 -2.393 11.610 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.791 -2.328 10.199 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.573 -3.550 10.263 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.407 -4.068 11.732 1.00 0.00 H new ATOM 226 N ILE A 18 1.514 2.287 12.087 1.00 0.00 N ATOM 227 CA ILE A 18 1.654 3.737 12.138 1.00 0.00 C ATOM 228 C ILE A 18 1.056 4.302 13.422 1.00 0.00 C ATOM 229 O ILE A 18 0.034 3.817 13.909 1.00 0.00 O ATOM 230 CB ILE A 18 0.977 4.411 10.930 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.633 5.762 10.638 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.513 4.583 11.186 1.00 0.00 C ATOM 233 CD1 ILE A 18 0.974 6.522 9.509 1.00 0.00 C ATOM 0 H ILE A 18 0.742 1.957 11.507 1.00 0.00 H new ATOM 0 HA ILE A 18 2.722 3.952 12.112 1.00 0.00 H new ATOM 0 HB ILE A 18 1.104 3.771 10.057 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.606 6.373 11.541 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.683 5.602 10.393 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.978 5.061 10.323 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.969 3.607 11.350 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.661 5.205 12.069 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.491 7.470 9.358 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.024 5.931 8.594 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.069 6.714 9.760 1.00 0.00 H new ATOM 245 N SER A 19 1.698 5.331 13.965 1.00 0.00 N ATOM 246 CA SER A 19 1.231 5.962 15.194 1.00 0.00 C ATOM 247 C SER A 19 -0.198 6.471 15.034 1.00 0.00 C ATOM 248 O SER A 19 -0.700 6.650 13.924 1.00 0.00 O ATOM 249 CB SER A 19 2.155 7.117 15.583 1.00 0.00 C ATOM 250 OG SER A 19 3.207 6.669 16.421 1.00 0.00 O ATOM 0 H SER A 19 2.543 5.746 13.573 1.00 0.00 H new ATOM 0 HA SER A 19 1.245 5.213 15.986 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.571 7.573 14.684 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.581 7.889 16.096 1.00 0.00 H new ATOM 0 HG SER A 19 3.784 7.426 16.654 1.00 0.00 H new ATOM 256 N PRO A 20 -0.871 6.711 16.169 1.00 0.00 N ATOM 257 CA PRO A 20 -2.252 7.204 16.182 1.00 0.00 C ATOM 258 C PRO A 20 -2.357 8.646 15.700 1.00 0.00 C ATOM 259 O PRO A 20 -3.391 9.061 15.178 1.00 0.00 O ATOM 260 CB PRO A 20 -2.650 7.102 17.657 1.00 0.00 C ATOM 261 CG PRO A 20 -1.364 7.181 18.403 1.00 0.00 C ATOM 262 CD PRO A 20 -0.335 6.520 17.527 1.00 0.00 C ATOM 0 HA PRO A 20 -2.895 6.634 15.512 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.323 7.910 17.942 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.170 6.166 17.863 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.095 8.217 18.608 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.440 6.675 19.366 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.646 6.982 17.641 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.220 5.463 17.769 1.00 0.00 H new ATOM 270 N GLU A 21 -1.280 9.405 15.878 1.00 0.00 N ATOM 271 CA GLU A 21 -1.253 10.802 15.461 1.00 0.00 C ATOM 272 C GLU A 21 -1.004 10.917 13.960 1.00 0.00 C ATOM 273 O GLU A 21 -1.678 11.678 13.264 1.00 0.00 O ATOM 274 CB GLU A 21 -0.172 11.566 16.228 1.00 0.00 C ATOM 275 CG GLU A 21 0.450 12.703 15.434 1.00 0.00 C ATOM 276 CD GLU A 21 0.889 13.857 16.314 1.00 0.00 C ATOM 277 OE1 GLU A 21 1.688 13.623 17.244 1.00 0.00 O ATOM 278 OE2 GLU A 21 0.433 14.994 16.072 1.00 0.00 O ATOM 0 H GLU A 21 -0.415 9.076 16.308 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.226 11.240 15.685 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.604 11.968 17.144 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.612 10.869 16.524 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.310 12.326 14.880 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.270 13.064 14.699 1.00 0.00 H new ATOM 285 N LEU A 22 -0.033 10.157 13.468 1.00 0.00 N ATOM 286 CA LEU A 22 0.307 10.172 12.049 1.00 0.00 C ATOM 287 C LEU A 22 -0.923 9.893 11.192 1.00 0.00 C ATOM 288 O LEU A 22 -1.089 10.473 10.118 1.00 0.00 O ATOM 289 CB LEU A 22 1.394 9.138 11.753 1.00 0.00 C ATOM 290 CG LEU A 22 2.825 9.548 12.105 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.473 10.277 10.939 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.838 10.418 13.354 1.00 0.00 C ATOM 0 H LEU A 22 0.534 9.522 14.030 1.00 0.00 H new ATOM 0 HA LEU A 22 0.682 11.165 11.801 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.155 8.224 12.296 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.358 8.896 10.691 1.00 0.00 H new ATOM 0 HG LEU A 22 3.402 8.646 12.308 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.490 10.561 11.208 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.497 9.622 10.068 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.897 11.172 10.704 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.864 10.701 13.590 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.246 11.316 13.178 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.414 9.861 14.190 1.00 0.00 H new ATOM 304 N LEU A 23 -1.784 9.003 11.673 1.00 0.00 N ATOM 305 CA LEU A 23 -3.001 8.648 10.952 1.00 0.00 C ATOM 306 C LEU A 23 -3.887 9.872 10.743 1.00 0.00 C ATOM 307 O LEU A 23 -4.242 10.207 9.613 1.00 0.00 O ATOM 308 CB LEU A 23 -3.774 7.571 11.715 1.00 0.00 C ATOM 309 CG LEU A 23 -5.155 7.217 11.163 1.00 0.00 C ATOM 310 CD1 LEU A 23 -5.036 6.618 9.770 1.00 0.00 C ATOM 311 CD2 LEU A 23 -5.874 6.256 12.099 1.00 0.00 C ATOM 0 H LEU A 23 -1.662 8.514 12.560 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.714 8.258 9.975 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.170 6.664 11.735 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.891 7.899 12.748 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.742 8.133 11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.029 6.372 9.394 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.563 7.339 9.103 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.430 5.713 9.814 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.855 6.015 11.690 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.289 5.342 12.201 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.993 6.722 13.077 1.00 0.00 H new ATOM 323 N ALA A 24 -4.237 10.538 11.839 1.00 0.00 N ATOM 324 CA ALA A 24 -5.077 11.727 11.775 1.00 0.00 C ATOM 325 C ALA A 24 -4.367 12.862 11.044 1.00 0.00 C ATOM 326 O ALA A 24 -4.987 13.611 10.288 1.00 0.00 O ATOM 327 CB ALA A 24 -5.476 12.167 13.175 1.00 0.00 C ATOM 0 H ALA A 24 -3.951 10.274 12.782 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.977 11.476 11.214 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.103 13.056 13.112 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.030 11.366 13.664 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.581 12.395 13.754 1.00 0.00 H new ATOM 333 N HIS A 25 -3.063 12.983 11.273 1.00 0.00 N ATOM 334 CA HIS A 25 -2.269 14.027 10.636 1.00 0.00 C ATOM 335 C HIS A 25 -2.092 13.743 9.147 1.00 0.00 C ATOM 336 O HIS A 25 -1.932 14.661 8.344 1.00 0.00 O ATOM 337 CB HIS A 25 -0.902 14.141 11.311 1.00 0.00 C ATOM 338 CG HIS A 25 0.089 14.946 10.527 1.00 0.00 C ATOM 339 ND1 HIS A 25 -0.178 16.213 10.053 1.00 0.00 N ATOM 340 CD2 HIS A 25 1.352 14.657 10.135 1.00 0.00 C ATOM 341 CE1 HIS A 25 0.878 16.669 9.403 1.00 0.00 C ATOM 342 NE2 HIS A 25 1.820 15.744 9.438 1.00 0.00 N ATOM 0 H HIS A 25 -2.534 12.371 11.895 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.801 14.972 10.747 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.028 14.594 12.294 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.500 13.140 11.470 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.891 13.742 10.333 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.957 17.634 8.924 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.745 15.824 9.016 1.00 0.00 H new ATOM 351 N GLY A 26 -2.121 12.463 8.786 1.00 0.00 N ATOM 352 CA GLY A 26 -1.962 12.082 7.395 1.00 0.00 C ATOM 353 C GLY A 26 -3.257 12.182 6.614 1.00 0.00 C ATOM 354 O GLY A 26 -3.344 12.925 5.636 1.00 0.00 O ATOM 0 H GLY A 26 -2.252 11.684 9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.211 12.721 6.930 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.588 11.060 7.342 1.00 0.00 H new ATOM 358 N ARG A 27 -4.266 11.432 7.045 1.00 0.00 N ATOM 359 CA ARG A 27 -5.562 11.439 6.378 1.00 0.00 C ATOM 360 C ARG A 27 -6.010 12.865 6.074 1.00 0.00 C ATOM 361 O ARG A 27 -6.566 13.137 5.010 1.00 0.00 O ATOM 362 CB ARG A 27 -6.610 10.738 7.245 1.00 0.00 C ATOM 363 CG ARG A 27 -6.612 9.225 7.094 1.00 0.00 C ATOM 364 CD ARG A 27 -7.510 8.564 8.128 1.00 0.00 C ATOM 365 NE ARG A 27 -7.981 7.254 7.686 1.00 0.00 N ATOM 366 CZ ARG A 27 -8.947 6.576 8.296 1.00 0.00 C ATOM 367 NH1 ARG A 27 -9.540 7.081 9.368 1.00 0.00 N ATOM 368 NH2 ARG A 27 -9.320 5.390 7.833 1.00 0.00 N ATOM 0 H ARG A 27 -4.211 10.812 7.853 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.460 10.900 5.436 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.432 10.990 8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.597 11.122 6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.950 8.958 6.093 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.595 8.846 7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.965 8.456 9.066 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.366 9.208 8.330 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.544 6.837 6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.255 7.992 9.727 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.281 6.558 9.834 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.865 4.998 7.008 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.062 4.870 8.302 1.00 0.00 H new ATOM 382 N GLN A 28 -5.765 13.771 7.015 1.00 0.00 N ATOM 383 CA GLN A 28 -6.144 15.168 6.847 1.00 0.00 C ATOM 384 C GLN A 28 -5.386 15.803 5.686 1.00 0.00 C ATOM 385 O GLN A 28 -5.955 16.558 4.897 1.00 0.00 O ATOM 386 CB GLN A 28 -5.876 15.950 8.135 1.00 0.00 C ATOM 387 CG GLN A 28 -6.701 17.220 8.259 1.00 0.00 C ATOM 388 CD GLN A 28 -8.161 16.941 8.559 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.536 16.702 9.707 1.00 0.00 O ATOM 390 NE2 GLN A 28 -8.994 16.970 7.525 1.00 0.00 N ATOM 0 H GLN A 28 -5.306 13.562 7.901 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.210 15.204 6.623 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.084 15.307 8.990 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.818 16.208 8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.284 17.844 9.050 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.627 17.789 7.332 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.640 17.172 6.590 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.988 16.790 7.666 1.00 0.00 H new ATOM 399 N LYS A 29 -4.098 15.492 5.587 1.00 0.00 N ATOM 400 CA LYS A 29 -3.260 16.031 4.522 1.00 0.00 C ATOM 401 C LYS A 29 -3.767 15.586 3.154 1.00 0.00 C ATOM 402 O LYS A 29 -3.767 16.363 2.199 1.00 0.00 O ATOM 403 CB LYS A 29 -1.809 15.583 4.710 1.00 0.00 C ATOM 404 CG LYS A 29 -0.984 16.535 5.559 1.00 0.00 C ATOM 405 CD LYS A 29 0.480 16.515 5.156 1.00 0.00 C ATOM 406 CE LYS A 29 1.155 17.849 5.440 1.00 0.00 C ATOM 407 NZ LYS A 29 2.385 18.034 4.621 1.00 0.00 N ATOM 0 H LYS A 29 -3.611 14.869 6.232 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.307 17.119 4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.799 14.596 5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.339 15.482 3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.376 17.547 5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.077 16.260 6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.997 15.722 5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.563 16.283 4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.457 18.660 5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.411 17.909 6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.815 18.954 4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.062 17.274 4.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.138 18.003 3.611 1.00 0.00 H new ATOM 421 N ILE A 30 -4.199 14.332 3.067 1.00 0.00 N ATOM 422 CA ILE A 30 -4.711 13.786 1.816 1.00 0.00 C ATOM 423 C ILE A 30 -6.103 14.326 1.509 1.00 0.00 C ATOM 424 O ILE A 30 -6.497 14.434 0.347 1.00 0.00 O ATOM 425 CB ILE A 30 -4.766 12.247 1.855 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.355 11.667 1.966 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.469 11.711 0.617 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.322 10.263 2.529 1.00 0.00 C ATOM 0 H ILE A 30 -4.205 13.675 3.848 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.023 14.097 1.030 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.334 11.941 2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.893 11.665 0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.752 12.318 2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.500 10.622 0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.486 12.102 0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.926 12.024 -0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.290 9.915 2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.754 10.262 3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.898 9.599 1.884 1.00 0.00 H new ATOM 440 N LEU A 31 -6.844 14.666 2.558 1.00 0.00 N ATOM 441 CA LEU A 31 -8.193 15.198 2.401 1.00 0.00 C ATOM 442 C LEU A 31 -8.159 16.609 1.822 1.00 0.00 C ATOM 443 O LEU A 31 -8.871 16.916 0.866 1.00 0.00 O ATOM 444 CB LEU A 31 -8.920 15.204 3.747 1.00 0.00 C ATOM 445 CG LEU A 31 -10.392 15.617 3.714 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.243 14.511 3.111 1.00 0.00 C ATOM 447 CD2 LEU A 31 -10.880 15.967 5.112 1.00 0.00 C ATOM 0 H LEU A 31 -6.533 14.583 3.526 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.732 14.554 1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.853 14.205 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.390 15.877 4.421 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.487 16.503 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.287 14.823 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.910 14.309 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.143 13.607 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.929 16.258 5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.771 15.100 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.290 16.794 5.507 1.00 0.00 H new ATOM 459 N ASP A 32 -7.325 17.462 2.407 1.00 0.00 N ATOM 460 CA ASP A 32 -7.195 18.840 1.947 1.00 0.00 C ATOM 461 C ASP A 32 -6.833 18.887 0.466 1.00 0.00 C ATOM 462 O ASP A 32 -7.100 19.876 -0.218 1.00 0.00 O ATOM 463 CB ASP A 32 -6.134 19.575 2.768 1.00 0.00 C ATOM 464 CG ASP A 32 -6.285 21.082 2.692 1.00 0.00 C ATOM 465 OD1 ASP A 32 -7.135 21.630 3.425 1.00 0.00 O ATOM 466 OD2 ASP A 32 -5.555 21.713 1.899 1.00 0.00 O ATOM 0 H ASP A 32 -6.729 17.224 3.200 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.157 19.335 2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.200 19.258 3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.143 19.293 2.411 1.00 0.00 H new ATOM 471 N LEU A 33 -6.223 17.813 -0.023 1.00 0.00 N ATOM 472 CA LEU A 33 -5.823 17.731 -1.424 1.00 0.00 C ATOM 473 C LEU A 33 -7.004 17.335 -2.305 1.00 0.00 C ATOM 474 O LEU A 33 -7.189 17.879 -3.394 1.00 0.00 O ATOM 475 CB LEU A 33 -4.686 16.722 -1.592 1.00 0.00 C ATOM 476 CG LEU A 33 -3.706 16.999 -2.733 1.00 0.00 C ATOM 477 CD1 LEU A 33 -2.339 16.412 -2.418 1.00 0.00 C ATOM 478 CD2 LEU A 33 -4.241 16.438 -4.042 1.00 0.00 C ATOM 0 H LEU A 33 -5.994 16.987 0.530 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.475 18.716 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.124 16.680 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.123 15.735 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.598 18.078 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.656 16.619 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.952 16.861 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.428 15.334 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.531 16.644 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.379 15.361 -3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.197 16.907 -4.275 1.00 0.00 H new ATOM 490 N LEU A 34 -7.800 16.386 -1.826 1.00 0.00 N ATOM 491 CA LEU A 34 -8.965 15.917 -2.569 1.00 0.00 C ATOM 492 C LEU A 34 -9.993 17.033 -2.729 1.00 0.00 C ATOM 493 O LEU A 34 -10.852 16.978 -3.608 1.00 0.00 O ATOM 494 CB LEU A 34 -9.600 14.721 -1.859 1.00 0.00 C ATOM 495 CG LEU A 34 -8.739 13.460 -1.767 1.00 0.00 C ATOM 496 CD1 LEU A 34 -9.374 12.448 -0.826 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.534 12.853 -3.147 1.00 0.00 C ATOM 0 H LEU A 34 -7.660 15.926 -0.926 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.633 15.608 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.871 15.026 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.526 14.468 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.764 13.737 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.748 11.557 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.468 12.885 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.362 12.175 -1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.919 11.957 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.501 12.591 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.035 13.576 -3.792 1.00 0.00 H new ATOM 509 N ASN A 35 -9.898 18.045 -1.873 1.00 0.00 N ATOM 510 CA ASN A 35 -10.819 19.175 -1.920 1.00 0.00 C ATOM 511 C ASN A 35 -10.179 20.370 -2.619 1.00 0.00 C ATOM 512 O ASN A 35 -10.708 20.881 -3.605 1.00 0.00 O ATOM 513 CB ASN A 35 -11.251 19.568 -0.506 1.00 0.00 C ATOM 514 CG ASN A 35 -12.365 18.687 0.025 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.312 18.366 -0.693 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.257 18.292 1.288 1.00 0.00 N ATOM 0 H ASN A 35 -9.193 18.106 -1.139 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.697 18.871 -2.489 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.393 19.507 0.163 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.582 20.607 -0.506 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.977 17.698 1.700 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.454 18.582 1.846 1.00 0.00 H new ATOM 523 N GLU A 36 -9.036 20.810 -2.100 1.00 0.00 N ATOM 524 CA GLU A 36 -8.324 21.945 -2.675 1.00 0.00 C ATOM 525 C GLU A 36 -7.609 21.543 -3.962 1.00 0.00 C ATOM 526 O GLU A 36 -7.566 22.307 -4.925 1.00 0.00 O ATOM 527 CB GLU A 36 -7.314 22.504 -1.670 1.00 0.00 C ATOM 528 CG GLU A 36 -7.922 22.838 -0.318 1.00 0.00 C ATOM 529 CD GLU A 36 -7.118 23.874 0.443 1.00 0.00 C ATOM 530 OE1 GLU A 36 -6.475 24.722 -0.210 1.00 0.00 O ATOM 531 OE2 GLU A 36 -7.131 23.836 1.691 1.00 0.00 O ATOM 0 H GLU A 36 -8.584 20.398 -1.284 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.055 22.718 -2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.514 21.777 -1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.859 23.403 -2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.938 23.206 -0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.993 21.929 0.279 1.00 0.00 H new ATOM 538 N GLY A 37 -7.046 20.339 -3.968 1.00 0.00 N ATOM 539 CA GLY A 37 -6.339 19.856 -5.140 1.00 0.00 C ATOM 540 C GLY A 37 -7.276 19.509 -6.281 1.00 0.00 C ATOM 541 O GLY A 37 -8.301 18.859 -6.075 1.00 0.00 O ATOM 0 H GLY A 37 -7.067 19.689 -3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.632 20.616 -5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.757 18.975 -4.872 1.00 0.00 H new ATOM 545 N SER A 38 -6.926 19.946 -7.486 1.00 0.00 N ATOM 546 CA SER A 38 -7.746 19.683 -8.663 1.00 0.00 C ATOM 547 C SER A 38 -7.324 18.382 -9.339 1.00 0.00 C ATOM 548 O SER A 38 -6.372 17.729 -8.913 1.00 0.00 O ATOM 549 CB SER A 38 -7.641 20.844 -9.654 1.00 0.00 C ATOM 550 OG SER A 38 -8.056 22.061 -9.059 1.00 0.00 O ATOM 0 H SER A 38 -6.080 20.484 -7.673 1.00 0.00 H new ATOM 0 HA SER A 38 -8.782 19.584 -8.339 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.612 20.938 -10.002 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.256 20.636 -10.530 1.00 0.00 H new ATOM 0 HG SER A 38 -7.978 22.788 -9.712 1.00 0.00 H new ATOM 556 N ALA A 39 -8.040 18.013 -10.396 1.00 0.00 N ATOM 557 CA ALA A 39 -7.740 16.792 -11.133 1.00 0.00 C ATOM 558 C ALA A 39 -6.235 16.570 -11.238 1.00 0.00 C ATOM 559 O ALA A 39 -5.704 15.591 -10.713 1.00 0.00 O ATOM 560 CB ALA A 39 -8.365 16.844 -12.519 1.00 0.00 C ATOM 0 H ALA A 39 -8.832 18.542 -10.761 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.168 15.953 -10.585 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.132 15.925 -13.058 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.446 16.947 -12.427 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.965 17.697 -13.067 1.00 0.00 H new ATOM 566 N ARG A 40 -5.553 17.485 -11.919 1.00 0.00 N ATOM 567 CA ARG A 40 -4.109 17.387 -12.095 1.00 0.00 C ATOM 568 C ARG A 40 -3.410 17.191 -10.752 1.00 0.00 C ATOM 569 O ARG A 40 -2.815 16.144 -10.498 1.00 0.00 O ATOM 570 CB ARG A 40 -3.571 18.643 -12.783 1.00 0.00 C ATOM 571 CG ARG A 40 -2.184 18.466 -13.378 1.00 0.00 C ATOM 572 CD ARG A 40 -2.206 17.523 -14.571 1.00 0.00 C ATOM 573 NE ARG A 40 -3.081 18.008 -15.636 1.00 0.00 N ATOM 574 CZ ARG A 40 -3.012 17.585 -16.893 1.00 0.00 C ATOM 575 NH1 ARG A 40 -2.116 16.672 -17.241 1.00 0.00 N ATOM 576 NH2 ARG A 40 -3.843 18.074 -17.805 1.00 0.00 N ATOM 0 H ARG A 40 -5.977 18.302 -12.358 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.903 16.520 -12.723 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.261 18.938 -13.574 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.546 19.460 -12.061 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.793 19.435 -13.686 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.507 18.076 -12.617 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.194 17.405 -14.959 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.540 16.537 -14.248 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.783 18.710 -15.401 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.477 16.292 -16.542 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.066 16.349 -18.207 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.535 18.775 -17.541 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.790 17.749 -18.770 1.00 0.00 H new ATOM 590 N ASP A 41 -3.486 18.206 -9.898 1.00 0.00 N ATOM 591 CA ASP A 41 -2.862 18.145 -8.582 1.00 0.00 C ATOM 592 C ASP A 41 -2.951 16.737 -8.002 1.00 0.00 C ATOM 593 O ASP A 41 -1.979 16.218 -7.450 1.00 0.00 O ATOM 594 CB ASP A 41 -3.526 19.143 -7.632 1.00 0.00 C ATOM 595 CG ASP A 41 -2.888 20.517 -7.697 1.00 0.00 C ATOM 596 OD1 ASP A 41 -3.252 21.299 -8.600 1.00 0.00 O ATOM 597 OD2 ASP A 41 -2.024 20.810 -6.844 1.00 0.00 O ATOM 0 H ASP A 41 -3.973 19.080 -10.094 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.810 18.406 -8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.585 19.225 -7.878 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.464 18.765 -6.612 1.00 0.00 H new ATOM 602 N LEU A 42 -4.122 16.122 -8.131 1.00 0.00 N ATOM 603 CA LEU A 42 -4.338 14.774 -7.619 1.00 0.00 C ATOM 604 C LEU A 42 -3.461 13.765 -8.354 1.00 0.00 C ATOM 605 O LEU A 42 -2.724 13.000 -7.732 1.00 0.00 O ATOM 606 CB LEU A 42 -5.811 14.384 -7.760 1.00 0.00 C ATOM 607 CG LEU A 42 -6.786 15.092 -6.819 1.00 0.00 C ATOM 608 CD1 LEU A 42 -8.220 14.887 -7.283 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.608 14.594 -5.393 1.00 0.00 C ATOM 0 H LEU A 42 -4.936 16.536 -8.586 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.065 14.765 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.121 14.580 -8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.898 13.309 -7.600 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.569 16.160 -6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.900 15.398 -6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.339 15.294 -8.287 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.450 13.822 -7.294 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.310 15.109 -4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.797 13.521 -5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.589 14.794 -5.062 1.00 0.00 H new ATOM 621 N ARG A 43 -3.545 13.771 -9.680 1.00 0.00 N ATOM 622 CA ARG A 43 -2.757 12.858 -10.499 1.00 0.00 C ATOM 623 C ARG A 43 -1.337 12.727 -9.956 1.00 0.00 C ATOM 624 O ARG A 43 -0.672 11.713 -10.169 1.00 0.00 O ATOM 625 CB ARG A 43 -2.718 13.345 -11.949 1.00 0.00 C ATOM 626 CG ARG A 43 -4.088 13.426 -12.602 1.00 0.00 C ATOM 627 CD ARG A 43 -3.989 13.887 -14.048 1.00 0.00 C ATOM 628 NE ARG A 43 -5.249 14.445 -14.531 1.00 0.00 N ATOM 629 CZ ARG A 43 -5.400 14.984 -15.736 1.00 0.00 C ATOM 630 NH1 ARG A 43 -4.375 15.037 -16.575 1.00 0.00 N ATOM 631 NH2 ARG A 43 -6.579 15.471 -16.103 1.00 0.00 N ATOM 0 H ARG A 43 -4.151 14.398 -10.210 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.232 11.877 -10.465 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.251 14.330 -11.980 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.086 12.674 -12.532 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.570 12.449 -12.563 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.719 14.115 -12.041 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.203 14.637 -14.137 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.700 13.046 -14.678 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.057 14.420 -13.909 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.468 14.663 -16.296 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.494 15.451 -17.500 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.370 15.432 -15.460 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.694 15.885 -17.028 1.00 0.00 H new ATOM 645 N SER A 44 -0.880 13.759 -9.255 1.00 0.00 N ATOM 646 CA SER A 44 0.462 13.761 -8.685 1.00 0.00 C ATOM 647 C SER A 44 0.577 12.734 -7.562 1.00 0.00 C ATOM 648 O SER A 44 1.554 11.988 -7.485 1.00 0.00 O ATOM 649 CB SER A 44 0.813 15.153 -8.156 1.00 0.00 C ATOM 650 OG SER A 44 0.769 16.118 -9.193 1.00 0.00 O ATOM 0 H SER A 44 -1.419 14.604 -9.068 1.00 0.00 H new ATOM 0 HA SER A 44 1.165 13.492 -9.474 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.116 15.432 -7.366 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.808 15.137 -7.712 1.00 0.00 H new ATOM 0 HG SER A 44 0.995 16.999 -8.829 1.00 0.00 H new ATOM 656 N LEU A 45 -0.427 12.704 -6.692 1.00 0.00 N ATOM 657 CA LEU A 45 -0.440 11.769 -5.572 1.00 0.00 C ATOM 658 C LEU A 45 0.018 10.383 -6.014 1.00 0.00 C ATOM 659 O LEU A 45 -0.163 9.999 -7.169 1.00 0.00 O ATOM 660 CB LEU A 45 -1.843 11.687 -4.968 1.00 0.00 C ATOM 661 CG LEU A 45 -2.240 12.833 -4.036 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.743 12.832 -3.800 1.00 0.00 C ATOM 663 CD2 LEU A 45 -1.491 12.732 -2.716 1.00 0.00 C ATOM 0 H LEU A 45 -1.242 13.316 -6.741 1.00 0.00 H new ATOM 0 HA LEU A 45 0.254 12.136 -4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.566 11.641 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.925 10.751 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.968 13.775 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.007 13.654 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.261 12.954 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.039 11.887 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.786 13.556 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.731 11.785 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.418 12.783 -2.902 1.00 0.00 H new ATOM 675 N GLN A 46 0.609 9.637 -5.086 1.00 0.00 N ATOM 676 CA GLN A 46 1.090 8.292 -5.380 1.00 0.00 C ATOM 677 C GLN A 46 -0.074 7.339 -5.628 1.00 0.00 C ATOM 678 O GLN A 46 -1.071 7.361 -4.906 1.00 0.00 O ATOM 679 CB GLN A 46 1.953 7.774 -4.229 1.00 0.00 C ATOM 680 CG GLN A 46 3.306 8.460 -4.125 1.00 0.00 C ATOM 681 CD GLN A 46 4.218 8.133 -5.291 1.00 0.00 C ATOM 682 OE1 GLN A 46 4.447 8.966 -6.168 1.00 0.00 O ATOM 683 NE2 GLN A 46 4.744 6.913 -5.307 1.00 0.00 N ATOM 0 H GLN A 46 0.766 9.941 -4.125 1.00 0.00 H new ATOM 0 HA GLN A 46 1.695 8.340 -6.286 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.413 7.910 -3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.107 6.702 -4.356 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.159 9.539 -4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.790 8.161 -3.195 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.527 6.254 -4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.365 6.635 -6.067 1.00 0.00 H new ATOM 692 N ARG A 47 0.059 6.504 -6.653 1.00 0.00 N ATOM 693 CA ARG A 47 -0.982 5.543 -6.997 1.00 0.00 C ATOM 694 C ARG A 47 -2.257 6.258 -7.435 1.00 0.00 C ATOM 695 O ARG A 47 -3.355 5.919 -6.991 1.00 0.00 O ATOM 696 CB ARG A 47 -1.280 4.633 -5.804 1.00 0.00 C ATOM 697 CG ARG A 47 -0.071 3.848 -5.321 1.00 0.00 C ATOM 698 CD ARG A 47 -0.478 2.514 -4.715 1.00 0.00 C ATOM 699 NE ARG A 47 -0.730 2.618 -3.280 1.00 0.00 N ATOM 700 CZ ARG A 47 0.223 2.533 -2.359 1.00 0.00 C ATOM 701 NH1 ARG A 47 1.485 2.344 -2.721 1.00 0.00 N ATOM 702 NH2 ARG A 47 -0.084 2.638 -1.073 1.00 0.00 N ATOM 0 H ARG A 47 0.878 6.474 -7.260 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.622 4.936 -7.827 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.662 5.239 -4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.070 3.934 -6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.610 3.677 -6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.473 4.434 -4.580 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.375 2.148 -5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.308 1.780 -4.893 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.690 2.764 -2.968 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.726 2.264 -3.709 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.215 2.279 -2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.053 2.784 -0.790 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.649 2.573 -0.367 1.00 0.00 H new ATOM 716 N ILE A 48 -2.104 7.249 -8.307 1.00 0.00 N ATOM 717 CA ILE A 48 -3.243 8.011 -8.805 1.00 0.00 C ATOM 718 C ILE A 48 -2.995 8.503 -10.227 1.00 0.00 C ATOM 719 O ILE A 48 -1.930 9.036 -10.534 1.00 0.00 O ATOM 720 CB ILE A 48 -3.550 9.220 -7.902 1.00 0.00 C ATOM 721 CG1 ILE A 48 -3.578 8.792 -6.433 1.00 0.00 C ATOM 722 CG2 ILE A 48 -4.874 9.855 -8.299 1.00 0.00 C ATOM 723 CD1 ILE A 48 -4.762 7.920 -6.079 1.00 0.00 C ATOM 0 H ILE A 48 -1.203 7.543 -8.683 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.100 7.337 -8.800 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.761 9.961 -8.031 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.659 8.253 -6.203 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.592 9.682 -5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.077 10.708 -7.652 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.821 10.190 -9.335 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.674 9.122 -8.195 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.716 7.655 -5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.686 8.463 -6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.738 7.012 -6.682 1.00 0.00 H new ATOM 735 N GLY A 49 -3.989 8.321 -11.091 1.00 0.00 N ATOM 736 CA GLY A 49 -3.861 8.754 -12.471 1.00 0.00 C ATOM 737 C GLY A 49 -4.860 9.833 -12.835 1.00 0.00 C ATOM 738 O GLY A 49 -5.509 10.425 -11.973 1.00 0.00 O ATOM 0 H GLY A 49 -4.880 7.882 -10.860 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.851 9.127 -12.639 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.999 7.898 -13.131 1.00 0.00 H new ATOM 742 N PRO A 50 -4.994 10.104 -14.142 1.00 0.00 N ATOM 743 CA PRO A 50 -5.919 11.122 -14.649 1.00 0.00 C ATOM 744 C PRO A 50 -7.379 10.712 -14.485 1.00 0.00 C ATOM 745 O PRO A 50 -8.202 11.489 -14.000 1.00 0.00 O ATOM 746 CB PRO A 50 -5.556 11.225 -16.132 1.00 0.00 C ATOM 747 CG PRO A 50 -4.961 9.901 -16.469 1.00 0.00 C ATOM 748 CD PRO A 50 -4.253 9.438 -15.226 1.00 0.00 C ATOM 0 HA PRO A 50 -5.826 12.063 -14.107 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.436 11.430 -16.742 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.848 12.034 -16.311 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.732 9.191 -16.766 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.267 9.986 -17.305 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.284 8.353 -15.126 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.202 9.727 -15.231 1.00 0.00 H new ATOM 756 N LYS A 51 -7.694 9.487 -14.891 1.00 0.00 N ATOM 757 CA LYS A 51 -9.054 8.972 -14.788 1.00 0.00 C ATOM 758 C LYS A 51 -9.601 9.159 -13.376 1.00 0.00 C ATOM 759 O LYS A 51 -10.585 9.868 -13.169 1.00 0.00 O ATOM 760 CB LYS A 51 -9.090 7.490 -15.168 1.00 0.00 C ATOM 761 CG LYS A 51 -10.420 6.819 -14.872 1.00 0.00 C ATOM 762 CD LYS A 51 -10.521 5.460 -15.544 1.00 0.00 C ATOM 763 CE LYS A 51 -11.617 4.610 -14.921 1.00 0.00 C ATOM 764 NZ LYS A 51 -12.931 4.820 -15.591 1.00 0.00 N ATOM 0 H LYS A 51 -7.025 8.832 -15.295 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.682 9.534 -15.480 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.871 7.391 -16.231 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.300 6.966 -14.630 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.538 6.703 -13.795 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.235 7.457 -15.215 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.722 5.593 -16.607 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.566 4.941 -15.463 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.341 3.558 -14.985 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.707 4.852 -13.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.651 4.223 -15.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.207 5.819 -15.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.853 4.565 -16.596 1.00 0.00 H new ATOM 778 N LYS A 52 -8.955 8.520 -12.407 1.00 0.00 N ATOM 779 CA LYS A 52 -9.374 8.617 -11.014 1.00 0.00 C ATOM 780 C LYS A 52 -9.532 10.075 -10.594 1.00 0.00 C ATOM 781 O LYS A 52 -10.554 10.460 -10.027 1.00 0.00 O ATOM 782 CB LYS A 52 -8.359 7.921 -10.105 1.00 0.00 C ATOM 783 CG LYS A 52 -8.609 6.431 -9.942 1.00 0.00 C ATOM 784 CD LYS A 52 -7.704 5.826 -8.882 1.00 0.00 C ATOM 785 CE LYS A 52 -6.261 5.752 -9.358 1.00 0.00 C ATOM 786 NZ LYS A 52 -6.041 4.608 -10.286 1.00 0.00 N ATOM 0 H LYS A 52 -8.138 7.929 -12.561 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.340 8.122 -10.916 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.358 8.071 -10.510 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.379 8.394 -9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.651 6.264 -9.670 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.443 5.927 -10.894 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.758 6.423 -7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.056 4.826 -8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.996 6.683 -9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.599 5.654 -8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.046 4.592 -10.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.270 3.718 -9.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.654 4.714 -11.120 1.00 0.00 H new ATOM 800 N ALA A 53 -8.514 10.881 -10.877 1.00 0.00 N ATOM 801 CA ALA A 53 -8.542 12.297 -10.532 1.00 0.00 C ATOM 802 C ALA A 53 -9.903 12.911 -10.845 1.00 0.00 C ATOM 803 O ALA A 53 -10.547 13.491 -9.971 1.00 0.00 O ATOM 804 CB ALA A 53 -7.442 13.043 -11.272 1.00 0.00 C ATOM 0 H ALA A 53 -7.660 10.578 -11.344 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.369 12.388 -9.460 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.475 14.099 -11.005 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.472 12.629 -10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.589 12.936 -12.347 1.00 0.00 H new ATOM 810 N GLN A 54 -10.332 12.781 -12.096 1.00 0.00 N ATOM 811 CA GLN A 54 -11.615 13.325 -12.523 1.00 0.00 C ATOM 812 C GLN A 54 -12.763 12.690 -11.744 1.00 0.00 C ATOM 813 O GLN A 54 -13.688 13.377 -11.310 1.00 0.00 O ATOM 814 CB GLN A 54 -11.815 13.100 -14.023 1.00 0.00 C ATOM 815 CG GLN A 54 -10.610 13.492 -14.862 1.00 0.00 C ATOM 816 CD GLN A 54 -10.994 13.959 -16.252 1.00 0.00 C ATOM 817 OE1 GLN A 54 -11.432 13.167 -17.087 1.00 0.00 O ATOM 818 NE2 GLN A 54 -10.831 15.252 -16.509 1.00 0.00 N ATOM 0 H GLN A 54 -9.810 12.304 -12.831 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.612 14.396 -12.321 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.042 12.048 -14.197 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.681 13.672 -14.356 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.062 14.286 -14.355 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.935 12.640 -14.943 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.465 15.873 -15.788 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.072 15.624 -17.428 1.00 0.00 H new ATOM 827 N LEU A 55 -12.697 11.374 -11.572 1.00 0.00 N ATOM 828 CA LEU A 55 -13.730 10.645 -10.846 1.00 0.00 C ATOM 829 C LEU A 55 -13.920 11.219 -9.445 1.00 0.00 C ATOM 830 O LEU A 55 -15.021 11.189 -8.896 1.00 0.00 O ATOM 831 CB LEU A 55 -13.368 9.161 -10.757 1.00 0.00 C ATOM 832 CG LEU A 55 -13.276 8.412 -12.086 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.778 6.992 -11.865 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.626 8.403 -12.788 1.00 0.00 C ATOM 0 H LEU A 55 -11.939 10.791 -11.926 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.667 10.752 -11.392 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.410 9.071 -10.245 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.110 8.663 -10.133 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.561 8.930 -12.725 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.719 6.474 -12.822 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.790 7.020 -11.406 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.468 6.463 -11.208 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.541 7.865 -13.732 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.362 7.909 -12.154 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.943 9.428 -12.981 1.00 0.00 H new ATOM 846 N ILE A 56 -12.839 11.742 -8.875 1.00 0.00 N ATOM 847 CA ILE A 56 -12.888 12.326 -7.540 1.00 0.00 C ATOM 848 C ILE A 56 -13.406 13.759 -7.586 1.00 0.00 C ATOM 849 O ILE A 56 -14.095 14.211 -6.672 1.00 0.00 O ATOM 850 CB ILE A 56 -11.501 12.314 -6.870 1.00 0.00 C ATOM 851 CG1 ILE A 56 -10.899 10.908 -6.920 1.00 0.00 C ATOM 852 CG2 ILE A 56 -11.604 12.801 -5.432 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.405 10.882 -6.680 1.00 0.00 C ATOM 0 H ILE A 56 -11.920 11.773 -9.316 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.572 11.714 -6.952 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.843 12.990 -7.416 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.390 10.284 -6.173 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.110 10.465 -7.893 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.616 12.787 -4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.996 13.818 -5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.274 12.147 -4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.046 9.854 -6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.904 11.479 -7.442 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.187 11.295 -5.695 1.00 0.00 H new ATOM 865 N VAL A 57 -13.070 14.470 -8.658 1.00 0.00 N ATOM 866 CA VAL A 57 -13.503 15.852 -8.825 1.00 0.00 C ATOM 867 C VAL A 57 -14.972 15.923 -9.228 1.00 0.00 C ATOM 868 O VAL A 57 -15.669 16.884 -8.906 1.00 0.00 O ATOM 869 CB VAL A 57 -12.656 16.582 -9.884 1.00 0.00 C ATOM 870 CG1 VAL A 57 -12.980 18.068 -9.896 1.00 0.00 C ATOM 871 CG2 VAL A 57 -11.174 16.353 -9.630 1.00 0.00 C ATOM 0 H VAL A 57 -12.499 14.111 -9.424 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.369 16.344 -7.862 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.901 16.174 -10.865 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.372 18.567 -10.650 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.035 18.208 -10.130 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.765 18.495 -8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.590 16.876 -10.387 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.911 16.733 -8.643 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.957 15.286 -9.677 1.00 0.00 H new ATOM 881 N GLY A 58 -15.436 14.897 -9.935 1.00 0.00 N ATOM 882 CA GLY A 58 -16.820 14.862 -10.370 1.00 0.00 C ATOM 883 C GLY A 58 -17.784 14.642 -9.221 1.00 0.00 C ATOM 884 O GLY A 58 -18.777 15.357 -9.091 1.00 0.00 O ATOM 0 H GLY A 58 -14.878 14.090 -10.214 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -17.064 15.799 -10.870 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.947 14.066 -11.104 1.00 0.00 H new ATOM 888 N TRP A 59 -17.492 13.650 -8.388 1.00 0.00 N ATOM 889 CA TRP A 59 -18.342 13.337 -7.245 1.00 0.00 C ATOM 890 C TRP A 59 -18.372 14.496 -6.255 1.00 0.00 C ATOM 891 O TRP A 59 -19.441 14.982 -5.886 1.00 0.00 O ATOM 892 CB TRP A 59 -17.849 12.067 -6.549 1.00 0.00 C ATOM 893 CG TRP A 59 -18.879 11.439 -5.660 1.00 0.00 C ATOM 894 CD1 TRP A 59 -19.137 11.752 -4.356 1.00 0.00 C ATOM 895 CD2 TRP A 59 -19.787 10.388 -6.010 1.00 0.00 C ATOM 896 NE1 TRP A 59 -20.151 10.959 -3.874 1.00 0.00 N ATOM 897 CE2 TRP A 59 -20.567 10.115 -4.869 1.00 0.00 C ATOM 898 CE3 TRP A 59 -20.018 9.653 -7.176 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -21.559 9.138 -4.863 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -21.002 8.684 -7.168 1.00 0.00 C ATOM 901 CH2 TRP A 59 -21.764 8.434 -6.018 1.00 0.00 C ATOM 0 H TRP A 59 -16.674 13.049 -8.482 1.00 0.00 H new ATOM 0 HA TRP A 59 -19.355 13.171 -7.612 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.541 11.344 -7.304 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.965 12.305 -5.957 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -18.620 12.511 -3.787 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -20.532 10.994 -2.928 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -19.437 9.839 -8.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -22.146 8.943 -3.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -21.188 8.109 -8.063 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -22.528 7.671 -6.044 1.00 0.00 H new ATOM 912 N ARG A 60 -17.192 14.934 -5.829 1.00 0.00 N ATOM 913 CA ARG A 60 -17.083 16.036 -4.880 1.00 0.00 C ATOM 914 C ARG A 60 -17.883 17.245 -5.357 1.00 0.00 C ATOM 915 O ARG A 60 -18.539 17.919 -4.564 1.00 0.00 O ATOM 916 CB ARG A 60 -15.617 16.426 -4.684 1.00 0.00 C ATOM 917 CG ARG A 60 -15.093 17.379 -5.745 1.00 0.00 C ATOM 918 CD ARG A 60 -13.686 17.855 -5.421 1.00 0.00 C ATOM 919 NE ARG A 60 -13.306 19.022 -6.213 1.00 0.00 N ATOM 920 CZ ARG A 60 -12.047 19.391 -6.420 1.00 0.00 C ATOM 921 NH1 ARG A 60 -11.052 18.689 -5.897 1.00 0.00 N ATOM 922 NH2 ARG A 60 -11.782 20.466 -7.152 1.00 0.00 N ATOM 0 H ARG A 60 -16.298 14.543 -6.126 1.00 0.00 H new ATOM 0 HA ARG A 60 -17.493 15.703 -3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -15.501 16.888 -3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -15.006 15.523 -4.685 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -15.096 16.882 -6.715 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.759 18.238 -5.825 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.622 18.100 -4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.979 17.046 -5.605 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.048 19.584 -6.630 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.252 17.863 -5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.086 18.975 -6.058 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.545 21.009 -7.556 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.815 20.749 -7.311 1.00 0.00 H new ATOM 936 N GLU A 61 -17.821 17.512 -6.658 1.00 0.00 N ATOM 937 CA GLU A 61 -18.538 18.641 -7.240 1.00 0.00 C ATOM 938 C GLU A 61 -20.040 18.372 -7.273 1.00 0.00 C ATOM 939 O GLU A 61 -20.850 19.293 -7.157 1.00 0.00 O ATOM 940 CB GLU A 61 -18.028 18.924 -8.654 1.00 0.00 C ATOM 941 CG GLU A 61 -16.796 19.812 -8.691 1.00 0.00 C ATOM 942 CD GLU A 61 -16.710 20.638 -9.959 1.00 0.00 C ATOM 943 OE1 GLU A 61 -17.734 21.235 -10.351 1.00 0.00 O ATOM 944 OE2 GLU A 61 -15.616 20.688 -10.561 1.00 0.00 O ATOM 0 H GLU A 61 -17.283 16.963 -7.328 1.00 0.00 H new ATOM 0 HA GLU A 61 -18.356 19.515 -6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.798 17.978 -9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.823 19.397 -9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.807 20.478 -7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.903 19.192 -8.604 1.00 0.00 H new ATOM 951 N LEU A 62 -20.405 17.105 -7.434 1.00 0.00 N ATOM 952 CA LEU A 62 -21.809 16.713 -7.483 1.00 0.00 C ATOM 953 C LEU A 62 -22.505 17.014 -6.160 1.00 0.00 C ATOM 954 O LEU A 62 -23.449 17.804 -6.108 1.00 0.00 O ATOM 955 CB LEU A 62 -21.933 15.224 -7.810 1.00 0.00 C ATOM 956 CG LEU A 62 -21.746 14.842 -9.279 1.00 0.00 C ATOM 957 CD1 LEU A 62 -21.451 13.356 -9.410 1.00 0.00 C ATOM 958 CD2 LEU A 62 -22.979 15.216 -10.088 1.00 0.00 C ATOM 0 H LEU A 62 -19.748 16.331 -7.533 1.00 0.00 H new ATOM 0 HA LEU A 62 -22.295 17.293 -8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -21.198 14.680 -7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -22.917 14.883 -7.489 1.00 0.00 H new ATOM 0 HG LEU A 62 -20.895 15.397 -9.674 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -21.321 13.102 -10.462 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -20.539 13.117 -8.863 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -22.282 12.783 -8.998 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -22.828 14.937 -11.131 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -23.847 14.688 -9.693 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -23.146 16.291 -10.021 1.00 0.00 H new ATOM 970 N HIS A 63 -22.033 16.381 -5.091 1.00 0.00 N ATOM 971 CA HIS A 63 -22.608 16.584 -3.766 1.00 0.00 C ATOM 972 C HIS A 63 -21.889 17.708 -3.027 1.00 0.00 C ATOM 973 O HIS A 63 -22.524 18.582 -2.438 1.00 0.00 O ATOM 974 CB HIS A 63 -22.532 15.292 -2.951 1.00 0.00 C ATOM 975 CG HIS A 63 -21.147 14.955 -2.491 1.00 0.00 C ATOM 976 ND1 HIS A 63 -20.664 15.294 -1.244 1.00 0.00 N ATOM 977 CD2 HIS A 63 -20.139 14.304 -3.118 1.00 0.00 C ATOM 978 CE1 HIS A 63 -19.420 14.868 -1.125 1.00 0.00 C ATOM 979 NE2 HIS A 63 -19.077 14.263 -2.249 1.00 0.00 N ATOM 0 H HIS A 63 -21.254 15.723 -5.116 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.653 16.866 -3.890 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -23.183 15.382 -2.081 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -22.916 14.469 -3.553 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -20.165 13.893 -4.116 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -18.790 14.993 -0.257 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -18.171 13.835 -2.440 1.00 0.00 H new ATOM 988 N GLY A 64 -20.560 17.679 -3.063 1.00 0.00 N ATOM 989 CA GLY A 64 -19.778 18.701 -2.392 1.00 0.00 C ATOM 990 C GLY A 64 -18.459 18.169 -1.866 1.00 0.00 C ATOM 991 O GLY A 64 -17.919 17.183 -2.367 1.00 0.00 O ATOM 0 H GLY A 64 -20.011 16.967 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.586 19.520 -3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.356 19.112 -1.565 1.00 0.00 H new ATOM 995 N PRO A 65 -17.920 18.831 -0.831 1.00 0.00 N ATOM 996 CA PRO A 65 -16.650 18.438 -0.215 1.00 0.00 C ATOM 997 C PRO A 65 -16.761 17.127 0.556 1.00 0.00 C ATOM 998 O PRO A 65 -17.812 16.811 1.115 1.00 0.00 O ATOM 999 CB PRO A 65 -16.345 19.595 0.739 1.00 0.00 C ATOM 1000 CG PRO A 65 -17.676 20.185 1.056 1.00 0.00 C ATOM 1001 CD PRO A 65 -18.510 20.015 -0.184 1.00 0.00 C ATOM 0 HA PRO A 65 -15.873 18.265 -0.959 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.843 19.243 1.640 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.687 20.329 0.274 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.134 19.680 1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.583 21.238 1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.562 19.859 0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.457 20.893 -0.828 1.00 0.00 H new ATOM 1009 N PHE A 66 -15.671 16.367 0.582 1.00 0.00 N ATOM 1010 CA PHE A 66 -15.647 15.089 1.284 1.00 0.00 C ATOM 1011 C PHE A 66 -15.424 15.294 2.779 1.00 0.00 C ATOM 1012 O PHE A 66 -14.457 15.935 3.191 1.00 0.00 O ATOM 1013 CB PHE A 66 -14.550 14.189 0.712 1.00 0.00 C ATOM 1014 CG PHE A 66 -14.684 13.944 -0.764 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -15.690 13.127 -1.255 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -13.806 14.530 -1.660 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -15.816 12.899 -2.612 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -13.926 14.306 -3.019 1.00 0.00 C ATOM 1019 CZ PHE A 66 -14.934 13.490 -3.495 1.00 0.00 C ATOM 0 H PHE A 66 -14.793 16.614 0.125 1.00 0.00 H new ATOM 0 HA PHE A 66 -16.614 14.607 1.141 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.579 14.643 0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -14.567 13.232 1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -16.383 12.663 -0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.018 15.170 -1.293 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -16.604 12.259 -2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.233 14.768 -3.707 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.032 13.315 -4.556 1.00 0.00 H new ATOM 1029 N SER A 67 -16.326 14.745 3.587 1.00 0.00 N ATOM 1030 CA SER A 67 -16.231 14.871 5.037 1.00 0.00 C ATOM 1031 C SER A 67 -15.116 13.987 5.587 1.00 0.00 C ATOM 1032 O SER A 67 -14.728 14.111 6.748 1.00 0.00 O ATOM 1033 CB SER A 67 -17.563 14.499 5.690 1.00 0.00 C ATOM 1034 OG SER A 67 -17.650 15.022 7.004 1.00 0.00 O ATOM 0 H SER A 67 -17.131 14.209 3.262 1.00 0.00 H new ATOM 0 HA SER A 67 -15.997 15.909 5.273 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.387 14.882 5.087 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.667 13.414 5.719 1.00 0.00 H new ATOM 0 HG SER A 67 -16.774 14.960 7.440 1.00 0.00 H new ATOM 1040 N GLN A 68 -14.606 13.095 4.744 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.536 12.190 5.146 1.00 0.00 C ATOM 1042 C GLN A 68 -12.970 11.448 3.940 1.00 0.00 C ATOM 1043 O GLN A 68 -13.658 11.253 2.938 1.00 0.00 O ATOM 1044 CB GLN A 68 -14.050 11.187 6.181 1.00 0.00 C ATOM 1045 CG GLN A 68 -15.166 10.295 5.662 1.00 0.00 C ATOM 1046 CD GLN A 68 -16.124 9.863 6.754 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -16.640 10.691 7.506 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -16.368 8.561 6.848 1.00 0.00 N ATOM 0 H GLN A 68 -14.916 12.980 3.779 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.739 12.785 5.591 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.221 10.562 6.512 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -14.408 11.731 7.055 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.720 10.826 4.888 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -14.732 9.411 5.195 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -15.919 7.910 6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.005 8.212 7.564 1.00 0.00 H new ATOM 1057 N VAL A 69 -11.710 11.036 4.043 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.050 10.314 2.961 1.00 0.00 C ATOM 1059 C VAL A 69 -11.817 9.048 2.597 1.00 0.00 C ATOM 1060 O VAL A 69 -11.791 8.604 1.450 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.606 9.936 3.338 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -8.805 9.582 2.094 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -8.941 11.069 4.105 1.00 0.00 C ATOM 0 H VAL A 69 -11.126 11.190 4.865 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.030 10.983 2.100 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.636 9.059 3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.787 9.318 2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.272 8.736 1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.782 10.439 1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.921 10.784 4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.922 11.966 3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.503 11.270 5.017 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.500 8.473 3.582 1.00 0.00 N ATOM 1074 CA GLU A 70 -13.275 7.257 3.364 1.00 0.00 C ATOM 1075 C GLU A 70 -14.315 7.463 2.266 1.00 0.00 C ATOM 1076 O GLU A 70 -14.537 6.583 1.434 1.00 0.00 O ATOM 1077 CB GLU A 70 -13.964 6.826 4.660 1.00 0.00 C ATOM 1078 CG GLU A 70 -14.203 5.328 4.754 1.00 0.00 C ATOM 1079 CD GLU A 70 -12.912 4.534 4.808 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -12.267 4.524 5.877 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -12.547 3.924 3.781 1.00 0.00 O ATOM 0 H GLU A 70 -12.532 8.829 4.537 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.589 6.472 3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.356 7.142 5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.920 7.344 4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.795 5.113 5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.790 5.003 3.895 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.948 8.631 2.272 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.964 8.954 1.277 1.00 0.00 C ATOM 1090 C ASP A 71 -15.511 8.536 -0.118 1.00 0.00 C ATOM 1091 O ASP A 71 -16.333 8.297 -1.004 1.00 0.00 O ATOM 1092 CB ASP A 71 -16.272 10.452 1.299 1.00 0.00 C ATOM 1093 CG ASP A 71 -17.295 10.817 2.356 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -17.487 10.019 3.298 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -17.905 11.901 2.242 1.00 0.00 O ATOM 0 H ASP A 71 -14.776 9.369 2.954 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.870 8.401 1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.352 11.007 1.482 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.640 10.759 0.320 1.00 0.00 H new ATOM 1100 N LEU A 72 -14.199 8.450 -0.308 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.635 8.062 -1.596 1.00 0.00 C ATOM 1102 C LEU A 72 -14.325 6.814 -2.138 1.00 0.00 C ATOM 1103 O LEU A 72 -14.596 6.713 -3.333 1.00 0.00 O ATOM 1104 CB LEU A 72 -12.132 7.811 -1.463 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.247 9.056 -1.400 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.782 8.665 -1.290 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.476 9.936 -2.620 1.00 0.00 C ATOM 0 H LEU A 72 -13.505 8.644 0.414 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.799 8.880 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.961 7.222 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.809 7.203 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.517 9.625 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.168 9.564 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.629 8.077 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.497 8.073 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.838 10.817 -2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.234 9.376 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.520 10.246 -2.654 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.606 5.866 -1.249 1.00 0.00 N ATOM 1120 CA GLU A 73 -15.266 4.625 -1.638 1.00 0.00 C ATOM 1121 C GLU A 73 -16.483 4.908 -2.514 1.00 0.00 C ATOM 1122 O GLU A 73 -16.763 4.173 -3.462 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.688 3.835 -0.398 1.00 0.00 C ATOM 1124 CG GLU A 73 -17.055 4.228 0.137 1.00 0.00 C ATOM 1125 CD GLU A 73 -17.465 3.410 1.346 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -16.568 2.947 2.082 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -18.683 3.233 1.557 1.00 0.00 O ATOM 0 H GLU A 73 -14.387 5.934 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.556 4.031 -2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.693 2.772 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.945 3.981 0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.047 5.285 0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.799 4.104 -0.650 1.00 0.00 H new ATOM 1134 N ARG A 74 -17.203 5.977 -2.190 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.391 6.356 -2.945 1.00 0.00 C ATOM 1136 C ARG A 74 -18.032 6.695 -4.389 1.00 0.00 C ATOM 1137 O ARG A 74 -18.718 6.281 -5.324 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.081 7.551 -2.285 1.00 0.00 C ATOM 1139 CG ARG A 74 -19.894 7.183 -1.055 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.959 8.227 -0.758 1.00 0.00 C ATOM 1141 NE ARG A 74 -21.993 7.714 0.137 1.00 0.00 N ATOM 1142 CZ ARG A 74 -23.170 8.304 0.314 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -23.461 9.420 -0.339 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -24.058 7.777 1.147 1.00 0.00 N ATOM 0 H ARG A 74 -16.984 6.596 -1.409 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.075 5.507 -2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.326 8.286 -2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -19.736 8.029 -3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -20.367 6.213 -1.207 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -19.231 7.084 -0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.492 9.103 -0.308 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -21.417 8.554 -1.692 1.00 0.00 H new ATOM 0 HE ARG A 74 -21.801 6.856 0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -22.780 9.828 -0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -24.366 9.871 -0.201 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -23.837 6.919 1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -24.962 8.230 1.283 1.00 0.00 H new ATOM 1158 N VAL A 75 -16.952 7.450 -4.563 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.502 7.845 -5.892 1.00 0.00 C ATOM 1160 C VAL A 75 -16.447 6.645 -6.832 1.00 0.00 C ATOM 1161 O VAL A 75 -15.868 5.611 -6.501 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.112 8.506 -5.841 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -14.538 8.654 -7.241 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -15.190 9.855 -5.143 1.00 0.00 C ATOM 0 H VAL A 75 -16.373 7.800 -3.800 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.226 8.567 -6.270 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.444 7.863 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -13.556 9.123 -7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -14.444 7.671 -7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -15.202 9.275 -7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.199 10.308 -5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -15.873 10.507 -5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.554 9.717 -4.125 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.054 6.792 -8.006 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.075 5.720 -8.994 1.00 0.00 C ATOM 1176 C GLU A 76 -15.664 5.210 -9.272 1.00 0.00 C ATOM 1177 O GLU A 76 -14.690 5.953 -9.163 1.00 0.00 O ATOM 1178 CB GLU A 76 -17.718 6.207 -10.294 1.00 0.00 C ATOM 1179 CG GLU A 76 -19.236 6.150 -10.280 1.00 0.00 C ATOM 1180 CD GLU A 76 -19.771 4.759 -10.559 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -19.409 4.184 -11.606 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -20.552 4.246 -9.730 1.00 0.00 O ATOM 0 H GLU A 76 -17.537 7.642 -8.296 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.667 4.899 -8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -17.403 7.233 -10.483 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.348 5.602 -11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.599 6.487 -9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -19.629 6.842 -11.025 1.00 0.00 H new ATOM 1189 N GLY A 77 -15.562 3.933 -9.632 1.00 0.00 N ATOM 1190 CA GLY A 77 -14.267 3.344 -9.919 1.00 0.00 C ATOM 1191 C GLY A 77 -13.481 3.031 -8.662 1.00 0.00 C ATOM 1192 O GLY A 77 -13.037 1.899 -8.465 1.00 0.00 O ATOM 0 H GLY A 77 -16.353 3.297 -9.730 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.407 2.428 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.691 4.027 -10.543 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.307 4.034 -7.809 1.00 0.00 N ATOM 1197 CA ILE A 78 -12.568 3.860 -6.564 1.00 0.00 C ATOM 1198 C ILE A 78 -13.464 3.292 -5.469 1.00 0.00 C ATOM 1199 O ILE A 78 -14.399 3.950 -5.012 1.00 0.00 O ATOM 1200 CB ILE A 78 -11.961 5.189 -6.079 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.384 5.973 -7.259 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -10.888 4.930 -5.032 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -11.126 7.431 -6.948 1.00 0.00 C ATOM 0 H ILE A 78 -13.668 4.977 -7.957 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.761 3.157 -6.771 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.750 5.786 -5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.450 5.506 -7.573 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -12.073 5.906 -8.101 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.468 5.879 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.328 4.409 -4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.098 4.316 -5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.718 7.924 -7.830 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.061 7.913 -6.663 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.413 7.507 -6.127 1.00 0.00 H new ATOM 1215 N THR A 79 -13.171 2.065 -5.049 1.00 0.00 N ATOM 1216 CA THR A 79 -13.948 1.408 -4.006 1.00 0.00 C ATOM 1217 C THR A 79 -13.323 1.628 -2.633 1.00 0.00 C ATOM 1218 O THR A 79 -12.211 2.141 -2.522 1.00 0.00 O ATOM 1219 CB THR A 79 -14.070 -0.105 -4.265 1.00 0.00 C ATOM 1220 OG1 THR A 79 -14.196 -0.807 -3.023 1.00 0.00 O ATOM 1221 CG2 THR A 79 -12.859 -0.624 -5.026 1.00 0.00 C ATOM 0 H THR A 79 -12.401 1.506 -5.416 1.00 0.00 H new ATOM 0 HA THR A 79 -14.942 1.854 -4.025 1.00 0.00 H new ATOM 0 HB THR A 79 -14.960 -0.276 -4.870 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.275 -1.768 -3.197 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.968 -1.695 -5.197 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.783 -0.109 -5.984 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.957 -0.440 -4.443 1.00 0.00 H new ATOM 1229 N GLY A 80 -14.047 1.236 -1.588 1.00 0.00 N ATOM 1230 CA GLY A 80 -13.546 1.399 -0.236 1.00 0.00 C ATOM 1231 C GLY A 80 -12.175 0.781 -0.047 1.00 0.00 C ATOM 1232 O GLY A 80 -11.493 1.054 0.941 1.00 0.00 O ATOM 0 H GLY A 80 -14.971 0.809 -1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.499 2.461 0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.246 0.944 0.465 1.00 0.00 H new ATOM 1236 N LYS A 81 -11.769 -0.055 -0.996 1.00 0.00 N ATOM 1237 CA LYS A 81 -10.470 -0.715 -0.932 1.00 0.00 C ATOM 1238 C LYS A 81 -9.413 0.090 -1.681 1.00 0.00 C ATOM 1239 O LYS A 81 -8.363 0.417 -1.129 1.00 0.00 O ATOM 1240 CB LYS A 81 -10.562 -2.126 -1.517 1.00 0.00 C ATOM 1241 CG LYS A 81 -11.334 -3.098 -0.642 1.00 0.00 C ATOM 1242 CD LYS A 81 -10.465 -3.658 0.472 1.00 0.00 C ATOM 1243 CE LYS A 81 -11.210 -4.701 1.290 1.00 0.00 C ATOM 1244 NZ LYS A 81 -12.305 -4.095 2.097 1.00 0.00 N ATOM 0 H LYS A 81 -12.321 -0.292 -1.820 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.176 -0.782 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.039 -2.074 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.555 -2.512 -1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.199 -2.593 -0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.715 -3.916 -1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.566 -4.103 0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.140 -2.847 1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.626 -5.456 0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.510 -5.211 1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.755 -4.830 2.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.913 -3.356 2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.013 -3.675 1.461 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.699 0.406 -2.940 1.00 0.00 N ATOM 1259 CA GLN A 82 -8.773 1.174 -3.763 1.00 0.00 C ATOM 1260 C GLN A 82 -8.335 2.447 -3.048 1.00 0.00 C ATOM 1261 O GLN A 82 -7.299 3.027 -3.371 1.00 0.00 O ATOM 1262 CB GLN A 82 -9.420 1.525 -5.104 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.208 0.469 -6.177 1.00 0.00 C ATOM 1264 CD GLN A 82 -9.481 0.993 -7.573 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -10.596 1.414 -7.884 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -8.462 0.971 -8.424 1.00 0.00 N ATOM 0 H GLN A 82 -10.564 0.142 -3.412 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.891 0.559 -3.943 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.490 1.670 -4.955 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.016 2.474 -5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.182 0.104 -6.124 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.860 -0.382 -5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.555 0.614 -8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.586 1.312 -9.377 1.00 0.00 H new ATOM 1275 N MET A 83 -9.131 2.877 -2.074 1.00 0.00 N ATOM 1276 CA MET A 83 -8.824 4.081 -1.312 1.00 0.00 C ATOM 1277 C MET A 83 -7.963 3.752 -0.097 1.00 0.00 C ATOM 1278 O MET A 83 -7.070 4.516 0.268 1.00 0.00 O ATOM 1279 CB MET A 83 -10.114 4.771 -0.865 1.00 0.00 C ATOM 1280 CG MET A 83 -10.847 4.030 0.242 1.00 0.00 C ATOM 1281 SD MET A 83 -10.231 4.450 1.884 1.00 0.00 S ATOM 1282 CE MET A 83 -10.308 6.238 1.828 1.00 0.00 C ATOM 0 H MET A 83 -9.993 2.409 -1.794 1.00 0.00 H new ATOM 0 HA MET A 83 -8.265 4.756 -1.959 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.878 5.778 -0.522 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.778 4.874 -1.723 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.911 4.262 0.187 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.746 2.956 0.084 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.433 6.629 2.838 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.385 6.629 1.399 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.153 6.547 1.212 1.00 0.00 H new ATOM 1292 N GLU A 84 -8.238 2.609 0.525 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.488 2.180 1.700 1.00 0.00 C ATOM 1294 C GLU A 84 -5.996 2.093 1.392 1.00 0.00 C ATOM 1295 O GLU A 84 -5.179 2.753 2.034 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.999 0.824 2.191 1.00 0.00 C ATOM 1297 CG GLU A 84 -9.290 0.912 2.988 1.00 0.00 C ATOM 1298 CD GLU A 84 -9.950 -0.440 3.178 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -9.233 -1.461 3.148 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -11.186 -0.476 3.357 1.00 0.00 O ATOM 0 H GLU A 84 -8.974 1.965 0.235 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.636 2.922 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.156 0.172 1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.231 0.358 2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.081 1.351 3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.982 1.582 2.479 1.00 0.00 H new ATOM 1307 N SER A 85 -5.649 1.274 0.405 1.00 0.00 N ATOM 1308 CA SER A 85 -4.255 1.096 0.014 1.00 0.00 C ATOM 1309 C SER A 85 -3.594 2.442 -0.268 1.00 0.00 C ATOM 1310 O SER A 85 -2.508 2.730 0.236 1.00 0.00 O ATOM 1311 CB SER A 85 -4.161 0.201 -1.223 1.00 0.00 C ATOM 1312 OG SER A 85 -4.694 -1.086 -0.963 1.00 0.00 O ATOM 0 H SER A 85 -6.313 0.723 -0.139 1.00 0.00 H new ATOM 0 HA SER A 85 -3.730 0.618 0.841 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.701 0.661 -2.051 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.120 0.111 -1.532 1.00 0.00 H new ATOM 0 HG SER A 85 -4.624 -1.638 -1.770 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.258 3.263 -1.075 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.735 4.578 -1.425 1.00 0.00 C ATOM 1320 C PHE A 86 -3.308 5.344 -0.176 1.00 0.00 C ATOM 1321 O PHE A 86 -2.132 5.664 -0.002 1.00 0.00 O ATOM 1322 CB PHE A 86 -4.787 5.380 -2.194 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.650 6.866 -2.026 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.425 7.488 -2.214 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -5.744 7.642 -1.680 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.296 8.855 -2.059 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -5.621 9.010 -1.523 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.395 9.617 -1.714 1.00 0.00 C ATOM 0 H PHE A 86 -5.159 3.041 -1.499 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.860 4.436 -2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.716 5.134 -3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.779 5.075 -1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.562 6.897 -2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.705 7.172 -1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.336 9.327 -2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.482 9.603 -1.252 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.296 10.686 -1.594 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.273 5.635 0.690 1.00 0.00 N ATOM 1339 CA LEU A 87 -3.998 6.363 1.924 1.00 0.00 C ATOM 1340 C LEU A 87 -2.640 5.973 2.496 1.00 0.00 C ATOM 1341 O LEU A 87 -1.870 6.828 2.936 1.00 0.00 O ATOM 1342 CB LEU A 87 -5.096 6.092 2.954 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.355 6.952 2.836 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.515 6.304 3.575 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -6.096 8.353 3.370 1.00 0.00 C ATOM 0 H LEU A 87 -5.252 5.378 0.561 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.980 7.428 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.387 5.044 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.675 6.234 3.950 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.621 7.030 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.402 6.930 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.716 5.322 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.259 6.195 4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.003 8.951 3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.805 8.295 4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.295 8.819 2.796 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.350 4.676 2.487 1.00 0.00 N ATOM 1358 CA LYS A 88 -1.083 4.171 3.001 1.00 0.00 C ATOM 1359 C LYS A 88 0.090 4.719 2.193 1.00 0.00 C ATOM 1360 O LYS A 88 1.087 5.170 2.756 1.00 0.00 O ATOM 1361 CB LYS A 88 -1.068 2.641 2.968 1.00 0.00 C ATOM 1362 CG LYS A 88 0.212 2.033 3.514 1.00 0.00 C ATOM 1363 CD LYS A 88 0.083 0.529 3.690 1.00 0.00 C ATOM 1364 CE LYS A 88 0.237 -0.202 2.365 1.00 0.00 C ATOM 1365 NZ LYS A 88 -0.117 -1.644 2.482 1.00 0.00 N ATOM 0 H LYS A 88 -2.976 3.955 2.129 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.979 4.507 4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.913 2.265 3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.209 2.307 1.940 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.038 2.252 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.455 2.493 4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.840 0.177 4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.888 0.294 4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.399 0.268 1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.265 -0.108 2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.001 -2.107 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.506 -2.099 3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.106 -1.735 2.791 1.00 0.00 H new ATOM 1379 N ALA A 89 -0.038 4.676 0.871 1.00 0.00 N ATOM 1380 CA ALA A 89 1.010 5.171 -0.013 1.00 0.00 C ATOM 1381 C ALA A 89 1.537 6.521 0.462 1.00 0.00 C ATOM 1382 O ALA A 89 2.729 6.674 0.725 1.00 0.00 O ATOM 1383 CB ALA A 89 0.490 5.279 -1.439 1.00 0.00 C ATOM 0 H ALA A 89 -0.856 4.304 0.389 1.00 0.00 H new ATOM 0 HA ALA A 89 1.835 4.459 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.283 5.650 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.168 4.297 -1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.354 5.968 -1.467 1.00 0.00 H new ATOM 1389 N ASN A 90 0.642 7.497 0.570 1.00 0.00 N ATOM 1390 CA ASN A 90 1.018 8.834 1.012 1.00 0.00 C ATOM 1391 C ASN A 90 1.326 8.846 2.507 1.00 0.00 C ATOM 1392 O ASN A 90 2.418 9.236 2.922 1.00 0.00 O ATOM 1393 CB ASN A 90 -0.102 9.830 0.703 1.00 0.00 C ATOM 1394 CG ASN A 90 0.047 10.461 -0.668 1.00 0.00 C ATOM 1395 OD1 ASN A 90 -0.203 9.820 -1.688 1.00 0.00 O ATOM 1396 ND2 ASN A 90 0.458 11.723 -0.697 1.00 0.00 N ATOM 0 H ASN A 90 -0.349 7.387 0.357 1.00 0.00 H new ATOM 0 HA ASN A 90 1.917 9.129 0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -1.064 9.321 0.763 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.108 10.613 1.461 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.578 12.200 -1.591 1.00 0.00 H new ATOM 0 HD22 ASN A 90 0.654 12.216 0.174 1.00 0.00 H new ATOM 1403 N ILE A 91 0.358 8.417 3.308 1.00 0.00 N ATOM 1404 CA ILE A 91 0.526 8.376 4.756 1.00 0.00 C ATOM 1405 C ILE A 91 1.892 7.813 5.134 1.00 0.00 C ATOM 1406 O ILE A 91 2.742 8.524 5.672 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.571 7.528 5.427 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -1.899 8.287 5.433 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -0.160 7.156 6.843 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -3.068 7.455 5.913 1.00 0.00 C ATOM 0 H ILE A 91 -0.552 8.093 2.980 1.00 0.00 H new ATOM 0 HA ILE A 91 0.447 9.403 5.113 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.702 6.609 4.855 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.803 9.166 6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.108 8.645 4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.945 6.557 7.304 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.766 6.581 6.814 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.005 8.063 7.427 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.976 8.057 5.891 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.190 6.590 5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.881 7.118 6.933 1.00 0.00 H new ATOM 1422 N LEU A 92 2.097 6.532 4.849 1.00 0.00 N ATOM 1423 CA LEU A 92 3.360 5.872 5.158 1.00 0.00 C ATOM 1424 C LEU A 92 4.514 6.525 4.403 1.00 0.00 C ATOM 1425 O LEU A 92 5.671 6.421 4.808 1.00 0.00 O ATOM 1426 CB LEU A 92 3.282 4.385 4.806 1.00 0.00 C ATOM 1427 CG LEU A 92 2.481 3.509 5.769 1.00 0.00 C ATOM 1428 CD1 LEU A 92 2.643 2.039 5.414 1.00 0.00 C ATOM 1429 CD2 LEU A 92 2.912 3.763 7.206 1.00 0.00 C ATOM 0 H LEU A 92 1.404 5.930 4.404 1.00 0.00 H new ATOM 0 HA LEU A 92 3.544 5.976 6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.846 4.290 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.297 3.992 4.748 1.00 0.00 H new ATOM 0 HG LEU A 92 1.427 3.770 5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.066 1.431 6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.284 1.868 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.696 1.763 5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.331 3.131 7.877 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.971 3.530 7.315 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.743 4.810 7.457 1.00 0.00 H new ATOM 1441 N GLY A 93 4.190 7.200 3.305 1.00 0.00 N ATOM 1442 CA GLY A 93 5.209 7.862 2.512 1.00 0.00 C ATOM 1443 C GLY A 93 5.623 9.197 3.099 1.00 0.00 C ATOM 1444 O GLY A 93 6.725 9.683 2.838 1.00 0.00 O ATOM 0 H GLY A 93 3.239 7.300 2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.083 7.215 2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.835 8.014 1.499 1.00 0.00 H new ATOM 1448 N LEU A 94 4.739 9.793 3.891 1.00 0.00 N ATOM 1449 CA LEU A 94 5.018 11.082 4.515 1.00 0.00 C ATOM 1450 C LEU A 94 6.254 11.000 5.405 1.00 0.00 C ATOM 1451 O LEU A 94 7.081 11.911 5.420 1.00 0.00 O ATOM 1452 CB LEU A 94 3.814 11.543 5.337 1.00 0.00 C ATOM 1453 CG LEU A 94 2.681 12.209 4.554 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.360 12.053 5.290 1.00 0.00 C ATOM 1455 CD2 LEU A 94 2.991 13.679 4.314 1.00 0.00 C ATOM 0 H LEU A 94 3.823 9.405 4.116 1.00 0.00 H new ATOM 0 HA LEU A 94 5.210 11.807 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.407 10.680 5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.164 12.243 6.096 1.00 0.00 H new ATOM 0 HG LEU A 94 2.594 11.715 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.566 12.533 4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.132 10.994 5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.433 12.520 6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.174 14.137 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.106 14.188 5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.915 13.767 3.743 1.00 0.00 H new