USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 637 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 72 GLN : amide:sc= 0.099 K(o=0.27,f=-0.42) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -164:sc= 0.171 (180deg=0) USER MOD Set 2.1: A 14 HIS : no HD1:sc= -8.21! C(o=-9.1!,f=-15!) USER MOD Set 2.2: A 16 SER OG : rot -140:sc= -0.893 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.65 K(o=-1.7,f=-1) USER MOD Single : A 24 GLN : amide:sc= -0.163 K(o=-0.16,f=-2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc=-0.00083 X(o=-0.00083,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 62:sc= 0.13 USER MOD Single : A 46 TYR OH : rot 61:sc= 0.197 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -3.17! K(o=-3.2!,f=-1.4) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0021 USER MOD Single : A 68 LYS NZ :NH3+ -148:sc= -0.0842 (180deg=-0.602) USER MOD Single : A 73 GLN : amide:sc= -0.0773 K(o=-0.077,f=-1.6!) USER MOD Single : A 80 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.12) USER MOD Single : A 82 THR OG1 : rot 170:sc= -1.09 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.0359 X(o=-0.036,f=-0.067) USER MOD Single : A 94 SER OG : rot 134:sc= -2.15! USER MOD ----------------------------------------------------------------- ATOM 150 N HIS A 14 -4.841 -18.343 3.837 1.00 0.00 N ATOM 151 CA HIS A 14 -3.455 -18.254 3.411 1.00 0.00 C ATOM 152 C HIS A 14 -2.719 -17.223 4.268 1.00 0.00 C ATOM 153 O HIS A 14 -3.287 -16.194 4.631 1.00 0.00 O ATOM 154 CB HIS A 14 -3.366 -17.953 1.913 1.00 0.00 C ATOM 155 CG HIS A 14 -2.077 -18.409 1.271 1.00 0.00 C ATOM 156 ND1 HIS A 14 -0.985 -17.575 1.108 1.00 0.00 N ATOM 157 CD2 HIS A 14 -1.718 -19.619 0.755 1.00 0.00 C ATOM 158 CE1 HIS A 14 -0.018 -18.263 0.518 1.00 0.00 C ATOM 159 NE2 HIS A 14 -0.475 -19.529 0.299 1.00 0.00 N ATOM 0 HA HIS A 14 -2.963 -19.215 3.560 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.203 -18.434 1.406 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.476 -16.879 1.761 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.340 -20.501 0.723 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.960 -17.887 0.257 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.052 -20.283 -0.143 1.00 0.00 H new ATOM 167 N PRO A 15 -1.434 -17.542 4.575 1.00 0.00 N ATOM 168 CA PRO A 15 -0.614 -16.655 5.383 1.00 0.00 C ATOM 169 C PRO A 15 -0.155 -15.442 4.571 1.00 0.00 C ATOM 170 O PRO A 15 0.522 -14.559 5.096 1.00 0.00 O ATOM 171 CB PRO A 15 0.540 -17.517 5.866 1.00 0.00 C ATOM 172 CG PRO A 15 0.577 -18.722 4.940 1.00 0.00 C ATOM 173 CD PRO A 15 -0.728 -18.752 4.162 1.00 0.00 C ATOM 0 HA PRO A 15 -1.158 -16.232 6.227 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.480 -16.967 5.829 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.391 -17.824 6.901 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.426 -18.654 4.259 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.701 -19.641 5.514 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.548 -18.758 3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.306 -19.646 4.393 1.00 0.00 H new ATOM 181 N SER A 16 -0.543 -15.437 3.304 1.00 0.00 N ATOM 182 CA SER A 16 -0.180 -14.346 2.415 1.00 0.00 C ATOM 183 C SER A 16 -1.362 -13.389 2.252 1.00 0.00 C ATOM 184 O SER A 16 -1.180 -12.173 2.215 1.00 0.00 O ATOM 185 CB SER A 16 0.268 -14.874 1.051 1.00 0.00 C ATOM 186 OG SER A 16 1.304 -15.845 1.168 1.00 0.00 O ATOM 0 H SER A 16 -1.105 -16.171 2.872 1.00 0.00 H new ATOM 0 HA SER A 16 0.657 -13.807 2.858 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.585 -15.315 0.535 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.617 -14.043 0.438 1.00 0.00 H new ATOM 0 HG SER A 16 1.966 -15.704 0.460 1.00 0.00 H new ATOM 192 N ILE A 17 -2.547 -13.973 2.158 1.00 0.00 N ATOM 193 CA ILE A 17 -3.759 -13.187 1.999 1.00 0.00 C ATOM 194 C ILE A 17 -3.951 -12.299 3.230 1.00 0.00 C ATOM 195 O ILE A 17 -4.108 -11.086 3.107 1.00 0.00 O ATOM 196 CB ILE A 17 -4.953 -14.097 1.705 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.807 -14.769 0.338 1.00 0.00 C ATOM 198 CG2 ILE A 17 -6.271 -13.329 1.828 1.00 0.00 C ATOM 199 CD1 ILE A 17 -5.047 -13.767 -0.794 1.00 0.00 C ATOM 0 H ILE A 17 -2.694 -14.982 2.189 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.673 -12.524 1.138 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.971 -14.889 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.809 -15.197 0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.516 -15.593 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.104 -13.999 1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.371 -12.938 2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.278 -12.503 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.937 -14.270 -1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.054 -13.359 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.321 -12.957 -0.723 1.00 0.00 H new ATOM 211 N SER A 18 -3.931 -12.939 4.391 1.00 0.00 N ATOM 212 CA SER A 18 -4.101 -12.223 5.643 1.00 0.00 C ATOM 213 C SER A 18 -3.105 -11.064 5.723 1.00 0.00 C ATOM 214 O SER A 18 -3.465 -9.959 6.124 1.00 0.00 O ATOM 215 CB SER A 18 -3.924 -13.158 6.841 1.00 0.00 C ATOM 216 OG SER A 18 -4.125 -12.484 8.080 1.00 0.00 O ATOM 0 H SER A 18 -3.800 -13.946 4.490 1.00 0.00 H new ATOM 0 HA SER A 18 -5.115 -11.825 5.674 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.628 -13.987 6.761 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.922 -13.587 6.821 1.00 0.00 H new ATOM 0 HG SER A 18 -4.005 -13.116 8.819 1.00 0.00 H new ATOM 222 N ARG A 19 -1.873 -11.357 5.333 1.00 0.00 N ATOM 223 CA ARG A 19 -0.823 -10.353 5.356 1.00 0.00 C ATOM 224 C ARG A 19 -1.220 -9.150 4.498 1.00 0.00 C ATOM 225 O ARG A 19 -1.274 -8.024 4.990 1.00 0.00 O ATOM 226 CB ARG A 19 0.498 -10.926 4.837 1.00 0.00 C ATOM 227 CG ARG A 19 1.613 -10.756 5.870 1.00 0.00 C ATOM 228 CD ARG A 19 1.491 -11.797 6.985 1.00 0.00 C ATOM 229 NE ARG A 19 2.037 -13.094 6.529 1.00 0.00 N ATOM 230 CZ ARG A 19 3.337 -13.325 6.303 1.00 0.00 C ATOM 231 NH1 ARG A 19 4.233 -12.347 6.491 1.00 0.00 N ATOM 232 NH2 ARG A 19 3.741 -14.534 5.890 1.00 0.00 N ATOM 0 H ARG A 19 -1.579 -12.275 4.999 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.688 -10.038 6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.373 -11.983 4.603 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.777 -10.425 3.910 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.583 -10.852 5.382 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.569 -9.754 6.297 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.029 -11.458 7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.446 -11.914 7.272 1.00 0.00 H new ATOM 0 HE ARG A 19 1.382 -13.861 6.377 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.925 -11.427 6.806 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.223 -12.522 6.319 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.059 -15.279 5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.731 -14.710 5.718 1.00 0.00 H new ATOM 246 N LEU A 20 -1.488 -9.429 3.231 1.00 0.00 N ATOM 247 CA LEU A 20 -1.879 -8.384 2.301 1.00 0.00 C ATOM 248 C LEU A 20 -3.058 -7.603 2.884 1.00 0.00 C ATOM 249 O LEU A 20 -3.123 -6.382 2.755 1.00 0.00 O ATOM 250 CB LEU A 20 -2.157 -8.975 0.917 1.00 0.00 C ATOM 251 CG LEU A 20 -0.927 -9.367 0.096 1.00 0.00 C ATOM 252 CD1 LEU A 20 -1.307 -10.318 -1.041 1.00 0.00 C ATOM 253 CD2 LEU A 20 -0.190 -8.128 -0.415 1.00 0.00 C ATOM 0 H LEU A 20 -1.442 -10.364 2.827 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.064 -7.674 2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.784 -9.858 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.736 -8.251 0.344 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.238 -9.904 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.415 -10.581 -1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.752 -11.222 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.025 -9.829 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.680 -8.436 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.858 -7.542 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.134 -7.523 0.431 1.00 0.00 H new ATOM 265 N GLN A 21 -3.962 -8.341 3.513 1.00 0.00 N ATOM 266 CA GLN A 21 -5.136 -7.733 4.116 1.00 0.00 C ATOM 267 C GLN A 21 -4.729 -6.857 5.303 1.00 0.00 C ATOM 268 O GLN A 21 -5.368 -5.842 5.579 1.00 0.00 O ATOM 269 CB GLN A 21 -6.147 -8.798 4.543 1.00 0.00 C ATOM 270 CG GLN A 21 -7.022 -9.227 3.363 1.00 0.00 C ATOM 271 CD GLN A 21 -7.737 -10.546 3.662 1.00 0.00 C ATOM 272 OE1 GLN A 21 -7.929 -10.934 4.803 1.00 0.00 O ATOM 273 NE2 GLN A 21 -8.119 -11.213 2.576 1.00 0.00 N ATOM 0 H GLN A 21 -3.905 -9.354 3.618 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.617 -7.101 3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.621 -9.664 4.944 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.775 -8.408 5.344 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.757 -8.451 3.150 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.406 -9.337 2.470 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.927 -10.832 1.650 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.604 -12.105 2.670 1.00 0.00 H new ATOM 282 N GLU A 22 -3.668 -7.280 5.974 1.00 0.00 N ATOM 283 CA GLU A 22 -3.168 -6.547 7.125 1.00 0.00 C ATOM 284 C GLU A 22 -2.328 -5.352 6.669 1.00 0.00 C ATOM 285 O GLU A 22 -2.171 -4.381 7.407 1.00 0.00 O ATOM 286 CB GLU A 22 -2.364 -7.462 8.051 1.00 0.00 C ATOM 287 CG GLU A 22 -3.204 -7.901 9.252 1.00 0.00 C ATOM 288 CD GLU A 22 -2.643 -7.324 10.553 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.156 -6.174 10.501 1.00 0.00 O ATOM 290 OE2 GLU A 22 -2.715 -8.046 11.571 1.00 0.00 O ATOM 0 H GLU A 22 -3.140 -8.122 5.743 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.021 -6.172 7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.027 -8.339 7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.472 -6.941 8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.235 -7.573 9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.221 -8.989 9.310 1.00 0.00 H new ATOM 297 N ILE A 23 -1.809 -5.463 5.454 1.00 0.00 N ATOM 298 CA ILE A 23 -0.989 -4.404 4.892 1.00 0.00 C ATOM 299 C ILE A 23 -1.882 -3.426 4.125 1.00 0.00 C ATOM 300 O ILE A 23 -1.674 -2.215 4.183 1.00 0.00 O ATOM 301 CB ILE A 23 0.142 -4.994 4.048 1.00 0.00 C ATOM 302 CG1 ILE A 23 1.315 -5.428 4.929 1.00 0.00 C ATOM 303 CG2 ILE A 23 0.579 -4.016 2.954 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.720 -6.873 4.631 1.00 0.00 C ATOM 0 H ILE A 23 -1.941 -6.270 4.844 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.502 -3.837 5.686 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.235 -5.887 3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.165 -4.766 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.040 -5.333 5.979 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.384 -4.461 2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.267 -3.799 2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.931 -3.092 3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.556 -7.156 5.271 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.875 -7.535 4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.018 -6.959 3.586 1.00 0.00 H new ATOM 316 N GLN A 24 -2.856 -3.988 3.425 1.00 0.00 N ATOM 317 CA GLN A 24 -3.781 -3.180 2.649 1.00 0.00 C ATOM 318 C GLN A 24 -4.558 -2.233 3.565 1.00 0.00 C ATOM 319 O GLN A 24 -4.625 -1.032 3.309 1.00 0.00 O ATOM 320 CB GLN A 24 -4.734 -4.063 1.840 1.00 0.00 C ATOM 321 CG GLN A 24 -4.253 -4.207 0.394 1.00 0.00 C ATOM 322 CD GLN A 24 -5.411 -4.579 -0.534 1.00 0.00 C ATOM 323 OE1 GLN A 24 -6.569 -4.594 -0.150 1.00 0.00 O ATOM 324 NE2 GLN A 24 -5.035 -4.878 -1.775 1.00 0.00 N ATOM 0 H GLN A 24 -3.025 -4.993 3.379 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.205 -2.581 1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.805 -5.047 2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.735 -3.631 1.853 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.802 -3.272 0.062 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.478 -4.972 0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.048 -4.846 -2.031 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.734 -5.139 -2.471 1.00 0.00 H new ATOM 333 N ARG A 25 -5.124 -2.809 4.616 1.00 0.00 N ATOM 334 CA ARG A 25 -5.893 -2.030 5.572 1.00 0.00 C ATOM 335 C ARG A 25 -5.044 -0.886 6.130 1.00 0.00 C ATOM 336 O ARG A 25 -5.567 0.180 6.451 1.00 0.00 O ATOM 337 CB ARG A 25 -6.380 -2.905 6.729 1.00 0.00 C ATOM 338 CG ARG A 25 -5.201 -3.502 7.499 1.00 0.00 C ATOM 339 CD ARG A 25 -5.686 -4.307 8.707 1.00 0.00 C ATOM 340 NE ARG A 25 -6.270 -3.398 9.719 1.00 0.00 N ATOM 341 CZ ARG A 25 -5.557 -2.531 10.450 1.00 0.00 C ATOM 342 NH1 ARG A 25 -4.229 -2.450 10.287 1.00 0.00 N ATOM 343 NH2 ARG A 25 -6.171 -1.746 11.346 1.00 0.00 N ATOM 0 H ARG A 25 -5.065 -3.805 4.826 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.758 -1.623 5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.997 -2.311 7.404 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.010 -3.706 6.343 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.619 -4.145 6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.538 -2.704 7.832 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.429 -5.039 8.392 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.855 -4.863 9.142 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.278 -3.434 9.869 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.761 -3.049 9.606 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.686 -1.790 10.844 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.181 -1.809 11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.628 -1.086 11.903 1.00 0.00 H new ATOM 357 N GLU A 26 -3.749 -1.145 6.227 1.00 0.00 N ATOM 358 CA GLU A 26 -2.822 -0.150 6.740 1.00 0.00 C ATOM 359 C GLU A 26 -2.727 1.034 5.775 1.00 0.00 C ATOM 360 O GLU A 26 -3.038 2.165 6.143 1.00 0.00 O ATOM 361 CB GLU A 26 -1.444 -0.763 6.993 1.00 0.00 C ATOM 362 CG GLU A 26 -1.449 -1.622 8.259 1.00 0.00 C ATOM 363 CD GLU A 26 -0.923 -0.832 9.460 1.00 0.00 C ATOM 364 OE1 GLU A 26 0.064 -0.091 9.263 1.00 0.00 O ATOM 365 OE2 GLU A 26 -1.520 -0.988 10.547 1.00 0.00 O ATOM 0 H GLU A 26 -3.319 -2.030 5.959 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.202 0.214 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.150 -1.372 6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.702 0.029 7.090 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.462 -1.969 8.463 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.833 -2.508 8.104 1.00 0.00 H new ATOM 372 N VAL A 27 -2.296 0.732 4.559 1.00 0.00 N ATOM 373 CA VAL A 27 -2.156 1.757 3.539 1.00 0.00 C ATOM 374 C VAL A 27 -3.517 2.411 3.290 1.00 0.00 C ATOM 375 O VAL A 27 -3.588 3.580 2.912 1.00 0.00 O ATOM 376 CB VAL A 27 -1.541 1.156 2.274 1.00 0.00 C ATOM 377 CG1 VAL A 27 -0.248 0.404 2.597 1.00 0.00 C ATOM 378 CG2 VAL A 27 -2.541 0.245 1.558 1.00 0.00 C ATOM 0 H VAL A 27 -2.039 -0.208 4.257 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.475 2.540 3.874 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.292 1.976 1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.169 -0.013 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.471 1.091 3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.462 -0.402 3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.079 -0.169 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.835 -0.567 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.423 0.822 1.278 1.00 0.00 H new ATOM 388 N LYS A 28 -4.563 1.629 3.511 1.00 0.00 N ATOM 389 CA LYS A 28 -5.917 2.118 3.315 1.00 0.00 C ATOM 390 C LYS A 28 -6.312 3.003 4.499 1.00 0.00 C ATOM 391 O LYS A 28 -6.955 4.036 4.319 1.00 0.00 O ATOM 392 CB LYS A 28 -6.878 0.952 3.072 1.00 0.00 C ATOM 393 CG LYS A 28 -8.161 1.432 2.390 1.00 0.00 C ATOM 394 CD LYS A 28 -8.015 1.405 0.867 1.00 0.00 C ATOM 395 CE LYS A 28 -8.272 0.001 0.316 1.00 0.00 C ATOM 396 NZ LYS A 28 -8.926 0.076 -1.010 1.00 0.00 N ATOM 0 H LYS A 28 -4.500 0.660 3.824 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.972 2.738 2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.392 0.199 2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.123 0.474 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.996 0.799 2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.395 2.445 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.716 2.109 0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.013 1.731 0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.330 -0.542 0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.902 -0.558 1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.093 -0.885 -1.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.834 0.575 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.311 0.591 -1.672 1.00 0.00 H new ATOM 410 N ALA A 29 -5.910 2.565 5.683 1.00 0.00 N ATOM 411 CA ALA A 29 -6.214 3.305 6.896 1.00 0.00 C ATOM 412 C ALA A 29 -5.426 4.616 6.900 1.00 0.00 C ATOM 413 O ALA A 29 -5.677 5.494 7.725 1.00 0.00 O ATOM 414 CB ALA A 29 -5.903 2.435 8.116 1.00 0.00 C ATOM 0 H ALA A 29 -5.377 1.708 5.828 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.274 3.557 6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.131 2.990 9.026 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.509 1.530 8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.847 2.165 8.111 1.00 0.00 H new ATOM 420 N ILE A 30 -4.489 4.709 5.968 1.00 0.00 N ATOM 421 CA ILE A 30 -3.662 5.899 5.853 1.00 0.00 C ATOM 422 C ILE A 30 -3.899 6.549 4.489 1.00 0.00 C ATOM 423 O ILE A 30 -3.239 7.526 4.140 1.00 0.00 O ATOM 424 CB ILE A 30 -2.196 5.561 6.127 1.00 0.00 C ATOM 425 CG1 ILE A 30 -1.656 4.578 5.086 1.00 0.00 C ATOM 426 CG2 ILE A 30 -2.010 5.043 7.555 1.00 0.00 C ATOM 427 CD1 ILE A 30 -1.016 5.320 3.911 1.00 0.00 C ATOM 0 H ILE A 30 -4.284 3.980 5.285 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.942 6.632 6.609 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.612 6.477 6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.921 3.920 5.549 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.466 3.945 4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.959 4.810 7.724 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.331 5.807 8.264 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.608 4.143 7.696 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.640 4.598 3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.760 5.959 3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.191 5.933 4.274 1.00 0.00 H new ATOM 439 N GLU A 31 -4.843 5.980 3.754 1.00 0.00 N ATOM 440 CA GLU A 31 -5.175 6.492 2.435 1.00 0.00 C ATOM 441 C GLU A 31 -5.762 7.901 2.545 1.00 0.00 C ATOM 442 O GLU A 31 -5.427 8.780 1.752 1.00 0.00 O ATOM 443 CB GLU A 31 -6.139 5.552 1.708 1.00 0.00 C ATOM 444 CG GLU A 31 -6.780 6.247 0.505 1.00 0.00 C ATOM 445 CD GLU A 31 -7.863 5.367 -0.123 1.00 0.00 C ATOM 446 OE1 GLU A 31 -7.506 4.249 -0.554 1.00 0.00 O ATOM 447 OE2 GLU A 31 -9.022 5.833 -0.159 1.00 0.00 O ATOM 0 H GLU A 31 -5.389 5.169 4.047 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.259 6.546 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.604 4.662 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.916 5.218 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.214 7.197 0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.016 6.475 -0.238 1.00 0.00 H new ATOM 454 N PRO A 32 -6.650 8.077 3.560 1.00 0.00 N ATOM 455 CA PRO A 32 -7.286 9.363 3.784 1.00 0.00 C ATOM 456 C PRO A 32 -6.309 10.354 4.421 1.00 0.00 C ATOM 457 O PRO A 32 -6.666 11.503 4.680 1.00 0.00 O ATOM 458 CB PRO A 32 -8.485 9.061 4.668 1.00 0.00 C ATOM 459 CG PRO A 32 -8.215 7.699 5.285 1.00 0.00 C ATOM 460 CD PRO A 32 -7.070 7.058 4.518 1.00 0.00 C ATOM 0 HA PRO A 32 -7.602 9.843 2.858 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.604 9.822 5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.407 9.050 4.086 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.958 7.802 6.339 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.106 7.073 5.234 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.253 6.780 5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.392 6.148 4.012 1.00 0.00 H new ATOM 468 N GLN A 33 -5.097 9.874 4.654 1.00 0.00 N ATOM 469 CA GLN A 33 -4.066 10.703 5.256 1.00 0.00 C ATOM 470 C GLN A 33 -3.207 11.353 4.169 1.00 0.00 C ATOM 471 O GLN A 33 -2.401 12.237 4.456 1.00 0.00 O ATOM 472 CB GLN A 33 -3.205 9.891 6.224 1.00 0.00 C ATOM 473 CG GLN A 33 -3.968 9.587 7.515 1.00 0.00 C ATOM 474 CD GLN A 33 -3.013 9.475 8.704 1.00 0.00 C ATOM 475 OE1 GLN A 33 -3.126 10.180 9.694 1.00 0.00 O ATOM 476 NE2 GLN A 33 -2.067 8.553 8.553 1.00 0.00 N ATOM 0 H GLN A 33 -4.805 8.921 4.437 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.551 11.493 5.830 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.900 8.958 5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.295 10.443 6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.698 10.374 7.704 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.524 8.656 7.402 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.029 7.997 7.699 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.380 8.402 9.291 1.00 0.00 H new ATOM 485 N VAL A 34 -3.407 10.888 2.945 1.00 0.00 N ATOM 486 CA VAL A 34 -2.660 11.413 1.814 1.00 0.00 C ATOM 487 C VAL A 34 -3.619 12.136 0.866 1.00 0.00 C ATOM 488 O VAL A 34 -3.241 13.113 0.221 1.00 0.00 O ATOM 489 CB VAL A 34 -1.882 10.285 1.132 1.00 0.00 C ATOM 490 CG1 VAL A 34 -2.651 8.965 1.209 1.00 0.00 C ATOM 491 CG2 VAL A 34 -1.554 10.645 -0.318 1.00 0.00 C ATOM 0 H VAL A 34 -4.075 10.154 2.711 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.923 12.143 2.149 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.941 10.156 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.077 8.180 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.811 8.697 2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.614 9.076 0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.001 9.827 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.479 10.814 -0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.948 11.551 -0.340 1.00 0.00 H new ATOM 501 N VAL A 35 -4.841 11.628 0.811 1.00 0.00 N ATOM 502 CA VAL A 35 -5.857 12.214 -0.047 1.00 0.00 C ATOM 503 C VAL A 35 -6.121 13.655 0.392 1.00 0.00 C ATOM 504 O VAL A 35 -6.235 14.551 -0.442 1.00 0.00 O ATOM 505 CB VAL A 35 -7.117 11.345 -0.035 1.00 0.00 C ATOM 506 CG1 VAL A 35 -8.204 11.943 -0.930 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.795 9.907 -0.448 1.00 0.00 C ATOM 0 H VAL A 35 -5.151 10.817 1.347 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.511 12.248 -1.080 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.499 11.323 0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.088 11.306 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.463 12.939 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.836 12.010 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.707 9.311 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.377 9.902 -1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.071 9.482 0.247 1.00 0.00 H new ATOM 517 N GLY A 36 -6.210 13.834 1.702 1.00 0.00 N ATOM 518 CA GLY A 36 -6.459 15.151 2.263 1.00 0.00 C ATOM 519 C GLY A 36 -5.201 15.708 2.933 1.00 0.00 C ATOM 520 O GLY A 36 -5.291 16.447 3.912 1.00 0.00 O ATOM 0 H GLY A 36 -6.114 13.088 2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.787 15.830 1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.268 15.093 2.991 1.00 0.00 H new ATOM 524 N PHE A 37 -4.058 15.332 2.379 1.00 0.00 N ATOM 525 CA PHE A 37 -2.784 15.784 2.911 1.00 0.00 C ATOM 526 C PHE A 37 -2.399 17.146 2.328 1.00 0.00 C ATOM 527 O PHE A 37 -2.805 17.488 1.219 1.00 0.00 O ATOM 528 CB PHE A 37 -1.734 14.751 2.498 1.00 0.00 C ATOM 529 CG PHE A 37 -0.293 15.254 2.595 1.00 0.00 C ATOM 530 CD1 PHE A 37 0.273 15.464 3.814 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.423 15.492 1.463 1.00 0.00 C ATOM 532 CE1 PHE A 37 1.611 15.931 3.905 1.00 0.00 C ATOM 533 CE2 PHE A 37 1.761 15.959 1.554 1.00 0.00 C ATOM 534 CZ PHE A 37 2.327 16.169 2.773 1.00 0.00 C ATOM 0 H PHE A 37 -3.988 14.719 1.567 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.849 15.887 3.994 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.842 13.867 3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.930 14.439 1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.295 15.276 4.713 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.026 15.326 0.495 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.060 16.097 4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.329 16.147 0.655 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.344 16.525 2.842 1.00 0.00 H new ATOM 544 N SER A 38 -1.619 17.886 3.103 1.00 0.00 N ATOM 545 CA SER A 38 -1.175 19.202 2.678 1.00 0.00 C ATOM 546 C SER A 38 0.137 19.563 3.378 1.00 0.00 C ATOM 547 O SER A 38 0.183 19.663 4.603 1.00 0.00 O ATOM 548 CB SER A 38 -2.239 20.263 2.966 1.00 0.00 C ATOM 549 OG SER A 38 -2.765 20.830 1.769 1.00 0.00 O ATOM 0 H SER A 38 -1.284 17.599 4.022 1.00 0.00 H new ATOM 0 HA SER A 38 -1.010 19.175 1.601 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.049 19.817 3.542 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.807 21.052 3.582 1.00 0.00 H new ATOM 0 HG SER A 38 -3.442 21.501 1.995 1.00 0.00 H new ATOM 555 N GLY A 39 1.170 19.749 2.570 1.00 0.00 N ATOM 556 CA GLY A 39 2.479 20.097 3.097 1.00 0.00 C ATOM 557 C GLY A 39 3.593 19.519 2.223 1.00 0.00 C ATOM 558 O GLY A 39 3.454 18.426 1.675 1.00 0.00 O ATOM 0 H GLY A 39 1.127 19.665 1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.578 21.181 3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.577 19.719 4.115 1.00 0.00 H new ATOM 562 N LEU A 40 4.675 20.278 2.119 1.00 0.00 N ATOM 563 CA LEU A 40 5.812 19.854 1.321 1.00 0.00 C ATOM 564 C LEU A 40 6.114 18.383 1.611 1.00 0.00 C ATOM 565 O LEU A 40 5.620 17.825 2.590 1.00 0.00 O ATOM 566 CB LEU A 40 7.005 20.784 1.552 1.00 0.00 C ATOM 567 CG LEU A 40 7.076 22.020 0.653 1.00 0.00 C ATOM 568 CD1 LEU A 40 7.954 23.104 1.281 1.00 0.00 C ATOM 569 CD2 LEU A 40 7.543 21.648 -0.755 1.00 0.00 C ATOM 0 H LEU A 40 4.787 21.184 2.574 1.00 0.00 H new ATOM 0 HA LEU A 40 5.580 19.928 0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.986 21.115 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.921 20.208 1.417 1.00 0.00 H new ATOM 0 HG LEU A 40 6.072 22.433 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.988 23.972 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.538 23.396 2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.963 22.717 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.585 22.545 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.534 21.197 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.844 20.937 -1.194 1.00 0.00 H new ATOM 581 N SER A 41 6.924 17.795 0.743 1.00 0.00 N ATOM 582 CA SER A 41 7.298 16.399 0.894 1.00 0.00 C ATOM 583 C SER A 41 8.406 16.264 1.940 1.00 0.00 C ATOM 584 O SER A 41 9.456 15.684 1.667 1.00 0.00 O ATOM 585 CB SER A 41 7.752 15.803 -0.440 1.00 0.00 C ATOM 586 OG SER A 41 8.868 16.503 -0.985 1.00 0.00 O ATOM 0 H SER A 41 7.332 18.260 -0.068 1.00 0.00 H new ATOM 0 HA SER A 41 6.421 15.845 1.229 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.016 14.755 -0.298 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.925 15.830 -1.150 1.00 0.00 H new ATOM 0 HG SER A 41 9.629 16.435 -0.371 1.00 0.00 H new ATOM 652 N TYR A 46 4.025 14.227 6.297 1.00 0.00 N ATOM 653 CA TYR A 46 4.421 13.526 5.087 1.00 0.00 C ATOM 654 C TYR A 46 5.358 12.360 5.411 1.00 0.00 C ATOM 655 O TYR A 46 5.147 11.242 4.946 1.00 0.00 O ATOM 656 CB TYR A 46 5.174 14.548 4.234 1.00 0.00 C ATOM 657 CG TYR A 46 5.644 14.006 2.883 1.00 0.00 C ATOM 658 CD1 TYR A 46 6.849 13.341 2.787 1.00 0.00 C ATOM 659 CD2 TYR A 46 4.862 14.182 1.759 1.00 0.00 C ATOM 660 CE1 TYR A 46 7.291 12.831 1.515 1.00 0.00 C ATOM 661 CE2 TYR A 46 5.304 13.672 0.487 1.00 0.00 C ATOM 662 CZ TYR A 46 6.497 13.021 0.428 1.00 0.00 C ATOM 663 OH TYR A 46 6.914 12.539 -0.773 1.00 0.00 O ATOM 0 HA TYR A 46 3.548 13.118 4.577 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.528 15.410 4.063 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.040 14.904 4.792 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.461 13.203 3.666 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.919 14.702 1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.232 12.309 1.426 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.702 13.803 -0.400 1.00 0.00 H new ATOM 0 HH TYR A 46 7.019 11.566 -0.717 1.00 0.00 H new ATOM 673 N LYS A 47 6.374 12.663 6.206 1.00 0.00 N ATOM 674 CA LYS A 47 7.344 11.654 6.598 1.00 0.00 C ATOM 675 C LYS A 47 6.608 10.374 6.999 1.00 0.00 C ATOM 676 O LYS A 47 6.705 9.357 6.314 1.00 0.00 O ATOM 677 CB LYS A 47 8.272 12.197 7.686 1.00 0.00 C ATOM 678 CG LYS A 47 9.106 13.368 7.161 1.00 0.00 C ATOM 679 CD LYS A 47 10.029 12.918 6.027 1.00 0.00 C ATOM 680 CE LYS A 47 11.433 13.500 6.200 1.00 0.00 C ATOM 681 NZ LYS A 47 12.160 13.492 4.910 1.00 0.00 N ATOM 0 H LYS A 47 6.547 13.592 6.589 1.00 0.00 H new ATOM 0 HA LYS A 47 7.991 11.400 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.682 12.521 8.543 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.932 11.403 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.446 14.159 6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.699 13.789 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.083 11.829 6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.616 13.234 5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.366 14.519 6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.985 12.920 6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.111 13.890 5.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.240 12.515 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.640 14.065 4.215 1.00 0.00 H new ATOM 695 N ARG A 48 5.889 10.466 8.108 1.00 0.00 N ATOM 696 CA ARG A 48 5.137 9.328 8.609 1.00 0.00 C ATOM 697 C ARG A 48 4.480 8.574 7.451 1.00 0.00 C ATOM 698 O ARG A 48 4.848 7.437 7.158 1.00 0.00 O ATOM 699 CB ARG A 48 4.056 9.773 9.597 1.00 0.00 C ATOM 700 CG ARG A 48 3.950 8.797 10.770 1.00 0.00 C ATOM 701 CD ARG A 48 3.157 9.412 11.925 1.00 0.00 C ATOM 702 NE ARG A 48 3.249 8.545 13.120 1.00 0.00 N ATOM 703 CZ ARG A 48 2.672 8.824 14.297 1.00 0.00 C ATOM 704 NH1 ARG A 48 1.959 9.948 14.444 1.00 0.00 N ATOM 705 NH2 ARG A 48 2.809 7.978 15.328 1.00 0.00 N ATOM 0 H ARG A 48 5.811 11.311 8.674 1.00 0.00 H new ATOM 0 HA ARG A 48 5.837 8.670 9.125 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.287 10.771 9.969 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.096 9.838 9.086 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.466 7.878 10.440 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.948 8.526 11.113 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.544 10.405 12.155 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.114 9.536 11.635 1.00 0.00 H new ATOM 0 HE ARG A 48 3.785 7.681 13.043 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.855 10.592 13.660 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.520 10.160 15.340 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.352 7.122 15.217 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.370 8.190 16.224 1.00 0.00 H new ATOM 719 N LEU A 49 3.520 9.238 6.824 1.00 0.00 N ATOM 720 CA LEU A 49 2.809 8.644 5.704 1.00 0.00 C ATOM 721 C LEU A 49 3.798 7.874 4.827 1.00 0.00 C ATOM 722 O LEU A 49 3.731 6.649 4.738 1.00 0.00 O ATOM 723 CB LEU A 49 2.017 9.712 4.946 1.00 0.00 C ATOM 724 CG LEU A 49 0.584 9.950 5.425 1.00 0.00 C ATOM 725 CD1 LEU A 49 0.544 11.005 6.533 1.00 0.00 C ATOM 726 CD2 LEU A 49 -0.332 10.314 4.255 1.00 0.00 C ATOM 0 H LEU A 49 3.218 10.181 7.070 1.00 0.00 H new ATOM 0 HA LEU A 49 2.071 7.924 6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.562 10.654 5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.985 9.433 3.893 1.00 0.00 H new ATOM 0 HG LEU A 49 0.208 9.020 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.486 11.155 6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.143 10.667 7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.947 11.945 6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.345 10.478 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.032 11.224 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.337 9.500 3.530 1.00 0.00 H new ATOM 738 N GLU A 50 4.694 8.624 4.202 1.00 0.00 N ATOM 739 CA GLU A 50 5.696 8.027 3.335 1.00 0.00 C ATOM 740 C GLU A 50 6.267 6.761 3.978 1.00 0.00 C ATOM 741 O GLU A 50 6.267 5.695 3.364 1.00 0.00 O ATOM 742 CB GLU A 50 6.808 9.028 3.013 1.00 0.00 C ATOM 743 CG GLU A 50 7.837 8.415 2.060 1.00 0.00 C ATOM 744 CD GLU A 50 7.972 9.253 0.787 1.00 0.00 C ATOM 745 OE1 GLU A 50 6.913 9.642 0.249 1.00 0.00 O ATOM 746 OE2 GLU A 50 9.131 9.485 0.381 1.00 0.00 O ATOM 0 H GLU A 50 4.747 9.640 4.279 1.00 0.00 H new ATOM 0 HA GLU A 50 5.218 7.750 2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.378 9.923 2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.300 9.339 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.804 8.346 2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.538 7.399 1.801 1.00 0.00 H new ATOM 753 N ARG A 51 6.740 6.920 5.205 1.00 0.00 N ATOM 754 CA ARG A 51 7.312 5.804 5.937 1.00 0.00 C ATOM 755 C ARG A 51 6.349 4.615 5.931 1.00 0.00 C ATOM 756 O ARG A 51 6.713 3.518 5.511 1.00 0.00 O ATOM 757 CB ARG A 51 7.621 6.194 7.384 1.00 0.00 C ATOM 758 CG ARG A 51 9.131 6.230 7.631 1.00 0.00 C ATOM 759 CD ARG A 51 9.561 7.587 8.194 1.00 0.00 C ATOM 760 NE ARG A 51 10.871 7.461 8.872 1.00 0.00 N ATOM 761 CZ ARG A 51 11.643 8.501 9.213 1.00 0.00 C ATOM 762 NH1 ARG A 51 11.243 9.750 8.940 1.00 0.00 N ATOM 763 NH2 ARG A 51 12.817 8.292 9.825 1.00 0.00 N ATOM 0 H ARG A 51 6.739 7.806 5.711 1.00 0.00 H new ATOM 0 HA ARG A 51 8.242 5.525 5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.190 7.171 7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.154 5.481 8.064 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.408 5.439 8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.661 6.034 6.699 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.627 8.319 7.389 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.812 7.952 8.897 1.00 0.00 H new ATOM 0 HE ARG A 51 11.207 6.524 9.093 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.351 9.909 8.472 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.831 10.542 9.200 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.123 7.341 10.031 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.405 9.084 10.085 1.00 0.00 H new ATOM 777 N ILE A 52 5.138 4.874 6.403 1.00 0.00 N ATOM 778 CA ILE A 52 4.119 3.839 6.458 1.00 0.00 C ATOM 779 C ILE A 52 4.048 3.128 5.105 1.00 0.00 C ATOM 780 O ILE A 52 4.222 1.912 5.029 1.00 0.00 O ATOM 781 CB ILE A 52 2.782 4.427 6.914 1.00 0.00 C ATOM 782 CG1 ILE A 52 2.902 5.043 8.310 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.670 3.379 6.844 1.00 0.00 C ATOM 784 CD1 ILE A 52 1.863 6.147 8.513 1.00 0.00 C ATOM 0 H ILE A 52 4.840 5.785 6.751 1.00 0.00 H new ATOM 0 HA ILE A 52 4.380 3.086 7.202 1.00 0.00 H new ATOM 0 HB ILE A 52 2.511 5.231 6.229 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.768 4.269 9.066 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.903 5.451 8.446 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.731 3.823 7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.565 3.028 5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.921 2.539 7.491 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.970 6.568 9.513 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.015 6.931 7.771 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.862 5.730 8.400 1.00 0.00 H new ATOM 796 N LEU A 53 3.792 3.915 4.071 1.00 0.00 N ATOM 797 CA LEU A 53 3.696 3.376 2.725 1.00 0.00 C ATOM 798 C LEU A 53 4.968 2.590 2.403 1.00 0.00 C ATOM 799 O LEU A 53 4.907 1.400 2.096 1.00 0.00 O ATOM 800 CB LEU A 53 3.391 4.490 1.722 1.00 0.00 C ATOM 801 CG LEU A 53 1.945 4.990 1.693 1.00 0.00 C ATOM 802 CD1 LEU A 53 1.846 6.341 0.982 1.00 0.00 C ATOM 803 CD2 LEU A 53 1.017 3.945 1.071 1.00 0.00 C ATOM 0 H LEU A 53 3.648 4.923 4.138 1.00 0.00 H new ATOM 0 HA LEU A 53 2.862 2.677 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.043 5.336 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.652 4.135 0.725 1.00 0.00 H new ATOM 0 HG LEU A 53 1.615 5.143 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.808 6.673 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.459 7.074 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.201 6.239 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.005 4.325 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.336 3.737 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.058 3.027 1.657 1.00 0.00 H new ATOM 815 N THR A 54 6.093 3.287 2.484 1.00 0.00 N ATOM 816 CA THR A 54 7.378 2.669 2.205 1.00 0.00 C ATOM 817 C THR A 54 7.536 1.380 3.014 1.00 0.00 C ATOM 818 O THR A 54 8.147 0.420 2.546 1.00 0.00 O ATOM 819 CB THR A 54 8.470 3.702 2.487 1.00 0.00 C ATOM 820 OG1 THR A 54 9.404 3.518 1.427 1.00 0.00 O ATOM 821 CG2 THR A 54 9.271 3.377 3.750 1.00 0.00 C ATOM 0 H THR A 54 6.141 4.274 2.739 1.00 0.00 H new ATOM 0 HA THR A 54 7.456 2.371 1.159 1.00 0.00 H new ATOM 0 HB THR A 54 8.019 4.689 2.587 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.146 4.150 1.531 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.033 4.141 3.904 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.601 3.354 4.610 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.750 2.405 3.637 1.00 0.00 H new ATOM 829 N LYS A 55 6.976 1.400 4.214 1.00 0.00 N ATOM 830 CA LYS A 55 7.048 0.245 5.093 1.00 0.00 C ATOM 831 C LYS A 55 6.097 -0.840 4.581 1.00 0.00 C ATOM 832 O LYS A 55 6.513 -1.974 4.346 1.00 0.00 O ATOM 833 CB LYS A 55 6.786 0.657 6.543 1.00 0.00 C ATOM 834 CG LYS A 55 8.087 0.691 7.347 1.00 0.00 C ATOM 835 CD LYS A 55 8.802 2.033 7.176 1.00 0.00 C ATOM 836 CE LYS A 55 9.856 2.235 8.266 1.00 0.00 C ATOM 837 NZ LYS A 55 11.014 1.342 8.040 1.00 0.00 N ATOM 0 H LYS A 55 6.470 2.198 4.599 1.00 0.00 H new ATOM 0 HA LYS A 55 8.052 -0.179 5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.314 1.639 6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.088 -0.043 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.871 0.522 8.402 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.741 -0.118 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.275 2.075 6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.075 2.844 7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.186 3.274 8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.419 2.033 9.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.720 1.492 8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.697 0.352 8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.440 1.554 7.115 1.00 0.00 H new ATOM 851 N GLN A 56 4.840 -0.454 4.423 1.00 0.00 N ATOM 852 CA GLN A 56 3.828 -1.379 3.943 1.00 0.00 C ATOM 853 C GLN A 56 4.272 -2.015 2.625 1.00 0.00 C ATOM 854 O GLN A 56 4.181 -3.230 2.456 1.00 0.00 O ATOM 855 CB GLN A 56 2.476 -0.679 3.786 1.00 0.00 C ATOM 856 CG GLN A 56 1.933 -0.224 5.142 1.00 0.00 C ATOM 857 CD GLN A 56 2.037 -1.344 6.179 1.00 0.00 C ATOM 858 OE1 GLN A 56 2.890 -1.340 7.051 1.00 0.00 O ATOM 859 NE2 GLN A 56 1.124 -2.300 6.036 1.00 0.00 N ATOM 0 H GLN A 56 4.499 0.487 4.619 1.00 0.00 H new ATOM 0 HA GLN A 56 3.707 -2.170 4.683 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.583 0.182 3.126 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.764 -1.357 3.314 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.489 0.648 5.486 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.892 0.083 5.036 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.438 -2.242 5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.110 -3.092 6.679 1.00 0.00 H new ATOM 868 N LEU A 57 4.743 -1.166 1.724 1.00 0.00 N ATOM 869 CA LEU A 57 5.202 -1.630 0.426 1.00 0.00 C ATOM 870 C LEU A 57 6.266 -2.711 0.622 1.00 0.00 C ATOM 871 O LEU A 57 6.113 -3.833 0.140 1.00 0.00 O ATOM 872 CB LEU A 57 5.673 -0.451 -0.429 1.00 0.00 C ATOM 873 CG LEU A 57 6.419 -0.812 -1.715 1.00 0.00 C ATOM 874 CD1 LEU A 57 7.886 -1.135 -1.426 1.00 0.00 C ATOM 875 CD2 LEU A 57 5.716 -1.951 -2.456 1.00 0.00 C ATOM 0 H LEU A 57 4.817 -0.159 1.867 1.00 0.00 H new ATOM 0 HA LEU A 57 4.381 -2.087 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.804 0.151 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.322 0.178 0.180 1.00 0.00 H new ATOM 0 HG LEU A 57 6.405 0.057 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.393 -1.388 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.368 -0.267 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.944 -1.980 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.267 -2.188 -3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.677 -2.832 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.702 -1.646 -2.715 1.00 0.00 H new ATOM 887 N PHE A 58 7.321 -2.337 1.332 1.00 0.00 N ATOM 888 CA PHE A 58 8.410 -3.261 1.598 1.00 0.00 C ATOM 889 C PHE A 58 7.877 -4.610 2.084 1.00 0.00 C ATOM 890 O PHE A 58 8.522 -5.641 1.895 1.00 0.00 O ATOM 891 CB PHE A 58 9.266 -2.637 2.702 1.00 0.00 C ATOM 892 CG PHE A 58 10.766 -2.898 2.549 1.00 0.00 C ATOM 893 CD1 PHE A 58 11.538 -2.031 1.841 1.00 0.00 C ATOM 894 CD2 PHE A 58 11.326 -3.997 3.120 1.00 0.00 C ATOM 895 CE1 PHE A 58 12.930 -2.273 1.698 1.00 0.00 C ATOM 896 CE2 PHE A 58 12.718 -4.239 2.978 1.00 0.00 C ATOM 897 CZ PHE A 58 13.491 -3.372 2.270 1.00 0.00 C ATOM 0 H PHE A 58 7.444 -1.406 1.731 1.00 0.00 H new ATOM 0 HA PHE A 58 8.983 -3.433 0.687 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.095 -1.561 2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.937 -3.025 3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 58 11.092 -1.158 1.387 1.00 0.00 H new ATOM 0 HD2 PHE A 58 10.712 -4.686 3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 58 13.543 -1.585 1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.163 -5.112 3.432 1.00 0.00 H new ATOM 0 HZ PHE A 58 14.550 -3.556 2.162 1.00 0.00 H new ATOM 907 N GLU A 59 6.706 -4.561 2.700 1.00 0.00 N ATOM 908 CA GLU A 59 6.079 -5.767 3.214 1.00 0.00 C ATOM 909 C GLU A 59 5.389 -6.531 2.083 1.00 0.00 C ATOM 910 O GLU A 59 5.327 -7.759 2.105 1.00 0.00 O ATOM 911 CB GLU A 59 5.091 -5.437 4.335 1.00 0.00 C ATOM 912 CG GLU A 59 5.762 -5.543 5.706 1.00 0.00 C ATOM 913 CD GLU A 59 5.706 -6.977 6.235 1.00 0.00 C ATOM 914 OE1 GLU A 59 5.946 -7.893 5.419 1.00 0.00 O ATOM 915 OE2 GLU A 59 5.423 -7.126 7.443 1.00 0.00 O ATOM 0 H GLU A 59 6.174 -3.705 2.855 1.00 0.00 H new ATOM 0 HA GLU A 59 6.856 -6.405 3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.700 -4.429 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.242 -6.118 4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.800 -5.219 5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.268 -4.873 6.409 1.00 0.00 H new ATOM 922 N ILE A 60 4.887 -5.772 1.120 1.00 0.00 N ATOM 923 CA ILE A 60 4.203 -6.361 -0.019 1.00 0.00 C ATOM 924 C ILE A 60 5.182 -7.245 -0.794 1.00 0.00 C ATOM 925 O ILE A 60 4.886 -8.405 -1.078 1.00 0.00 O ATOM 926 CB ILE A 60 3.548 -5.274 -0.873 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.539 -4.467 -0.053 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.917 -5.871 -2.132 1.00 0.00 C ATOM 929 CD1 ILE A 60 1.740 -3.518 -0.948 1.00 0.00 C ATOM 0 H ILE A 60 4.940 -4.754 1.105 1.00 0.00 H new ATOM 0 HA ILE A 60 3.389 -7.003 0.317 1.00 0.00 H new ATOM 0 HB ILE A 60 4.324 -4.582 -1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.859 -5.145 0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.062 -3.896 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.458 -5.077 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.686 -6.365 -2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.156 -6.598 -1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.030 -2.956 -0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.421 -2.826 -1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.199 -4.095 -1.698 1.00 0.00 H new ATOM 941 N ASP A 61 6.329 -6.664 -1.114 1.00 0.00 N ATOM 942 CA ASP A 61 7.354 -7.385 -1.850 1.00 0.00 C ATOM 943 C ASP A 61 7.788 -8.611 -1.045 1.00 0.00 C ATOM 944 O ASP A 61 8.274 -9.589 -1.610 1.00 0.00 O ATOM 945 CB ASP A 61 8.587 -6.508 -2.080 1.00 0.00 C ATOM 946 CG ASP A 61 9.511 -6.974 -3.206 1.00 0.00 C ATOM 947 OD1 ASP A 61 9.616 -8.208 -3.381 1.00 0.00 O ATOM 948 OD2 ASP A 61 10.091 -6.087 -3.868 1.00 0.00 O ATOM 0 H ASP A 61 6.571 -5.702 -0.877 1.00 0.00 H new ATOM 0 HA ASP A 61 6.935 -7.677 -2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.256 -5.493 -2.299 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.161 -6.464 -1.154 1.00 0.00 H new ATOM 953 N SER A 62 7.597 -8.517 0.263 1.00 0.00 N ATOM 954 CA SER A 62 7.963 -9.607 1.152 1.00 0.00 C ATOM 955 C SER A 62 6.925 -10.727 1.063 1.00 0.00 C ATOM 956 O SER A 62 7.253 -11.898 1.247 1.00 0.00 O ATOM 957 CB SER A 62 8.094 -9.119 2.597 1.00 0.00 C ATOM 958 OG SER A 62 9.326 -9.523 3.187 1.00 0.00 O ATOM 0 H SER A 62 7.194 -7.704 0.728 1.00 0.00 H new ATOM 0 HA SER A 62 8.933 -9.993 0.837 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.020 -8.032 2.621 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.264 -9.508 3.188 1.00 0.00 H new ATOM 0 HG SER A 62 9.372 -9.191 4.108 1.00 0.00 H new ATOM 964 N VAL A 63 5.694 -10.328 0.780 1.00 0.00 N ATOM 965 CA VAL A 63 4.605 -11.284 0.664 1.00 0.00 C ATOM 966 C VAL A 63 4.857 -12.193 -0.540 1.00 0.00 C ATOM 967 O VAL A 63 4.851 -11.734 -1.682 1.00 0.00 O ATOM 968 CB VAL A 63 3.267 -10.546 0.586 1.00 0.00 C ATOM 969 CG1 VAL A 63 2.172 -11.455 0.025 1.00 0.00 C ATOM 970 CG2 VAL A 63 2.869 -9.987 1.954 1.00 0.00 C ATOM 0 H VAL A 63 5.426 -9.356 0.628 1.00 0.00 H new ATOM 0 HA VAL A 63 4.559 -11.920 1.548 1.00 0.00 H new ATOM 0 HB VAL A 63 3.387 -9.705 -0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.231 -10.906 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.449 -11.783 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.054 -12.325 0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.915 -9.467 1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.776 -10.805 2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.633 -9.290 2.298 1.00 0.00 H new ATOM 980 N ASP A 64 5.073 -13.466 -0.245 1.00 0.00 N ATOM 981 CA ASP A 64 5.327 -14.444 -1.289 1.00 0.00 C ATOM 982 C ASP A 64 4.016 -14.767 -2.009 1.00 0.00 C ATOM 983 O ASP A 64 2.940 -14.670 -1.420 1.00 0.00 O ATOM 984 CB ASP A 64 5.878 -15.746 -0.703 1.00 0.00 C ATOM 985 CG ASP A 64 5.825 -16.952 -1.643 1.00 0.00 C ATOM 986 OD1 ASP A 64 6.719 -17.034 -2.512 1.00 0.00 O ATOM 987 OD2 ASP A 64 4.890 -17.764 -1.471 1.00 0.00 O ATOM 0 H ASP A 64 5.077 -13.843 0.703 1.00 0.00 H new ATOM 0 HA ASP A 64 6.059 -14.020 -1.977 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.913 -15.583 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.319 -15.985 0.202 1.00 0.00 H new ATOM 992 N THR A 65 4.149 -15.146 -3.272 1.00 0.00 N ATOM 993 CA THR A 65 2.988 -15.484 -4.078 1.00 0.00 C ATOM 994 C THR A 65 2.962 -16.985 -4.371 1.00 0.00 C ATOM 995 O THR A 65 1.895 -17.596 -4.403 1.00 0.00 O ATOM 996 CB THR A 65 3.020 -14.619 -5.339 1.00 0.00 C ATOM 997 OG1 THR A 65 4.294 -14.892 -5.916 1.00 0.00 O ATOM 998 CG2 THR A 65 3.069 -13.122 -5.022 1.00 0.00 C ATOM 0 H THR A 65 5.043 -15.226 -3.757 1.00 0.00 H new ATOM 0 HA THR A 65 2.061 -15.272 -3.545 1.00 0.00 H new ATOM 0 HB THR A 65 2.141 -14.833 -5.947 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.398 -14.373 -6.741 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.090 -12.554 -5.952 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.187 -12.843 -4.446 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.965 -12.902 -4.442 1.00 0.00 H new ATOM 1006 N GLU A 66 4.149 -17.536 -4.578 1.00 0.00 N ATOM 1007 CA GLU A 66 4.275 -18.954 -4.868 1.00 0.00 C ATOM 1008 C GLU A 66 3.503 -19.307 -6.141 1.00 0.00 C ATOM 1009 O GLU A 66 3.089 -20.451 -6.324 1.00 0.00 O ATOM 1010 CB GLU A 66 3.798 -19.800 -3.685 1.00 0.00 C ATOM 1011 CG GLU A 66 4.972 -20.510 -3.010 1.00 0.00 C ATOM 1012 CD GLU A 66 4.515 -21.804 -2.333 1.00 0.00 C ATOM 1013 OE1 GLU A 66 3.597 -21.709 -1.489 1.00 0.00 O ATOM 1014 OE2 GLU A 66 5.094 -22.858 -2.674 1.00 0.00 O ATOM 0 H GLU A 66 5.032 -17.026 -4.551 1.00 0.00 H new ATOM 0 HA GLU A 66 5.329 -19.179 -5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.288 -19.164 -2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.072 -20.537 -4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.740 -20.734 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.425 -19.849 -2.271 1.00 0.00 H new ATOM 1021 N GLY A 67 3.333 -18.303 -6.988 1.00 0.00 N ATOM 1022 CA GLY A 67 2.618 -18.492 -8.239 1.00 0.00 C ATOM 1023 C GLY A 67 1.134 -18.766 -7.987 1.00 0.00 C ATOM 1024 O GLY A 67 0.605 -19.788 -8.420 1.00 0.00 O ATOM 0 H GLY A 67 3.678 -17.356 -6.833 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.727 -17.604 -8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.056 -19.324 -8.790 1.00 0.00 H new ATOM 1028 N LYS A 68 0.504 -17.835 -7.286 1.00 0.00 N ATOM 1029 CA LYS A 68 -0.908 -17.963 -6.970 1.00 0.00 C ATOM 1030 C LYS A 68 -1.632 -16.671 -7.357 1.00 0.00 C ATOM 1031 O LYS A 68 -1.577 -15.682 -6.628 1.00 0.00 O ATOM 1032 CB LYS A 68 -1.096 -18.357 -5.504 1.00 0.00 C ATOM 1033 CG LYS A 68 -0.159 -19.504 -5.120 1.00 0.00 C ATOM 1034 CD LYS A 68 -0.153 -19.724 -3.606 1.00 0.00 C ATOM 1035 CE LYS A 68 -0.429 -21.190 -3.264 1.00 0.00 C ATOM 1036 NZ LYS A 68 -1.758 -21.599 -3.771 1.00 0.00 N ATOM 0 H LYS A 68 0.946 -16.988 -6.928 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.357 -18.768 -7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.903 -17.496 -4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.130 -18.655 -5.334 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.473 -20.419 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.852 -19.283 -5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.812 -19.426 -3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.907 -19.090 -3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.344 -21.823 -3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.386 -21.332 -2.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.167 -22.314 -3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.385 -20.770 -3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.657 -22.001 -4.725 1.00 0.00 H new ATOM 1050 N GLY A 69 -2.294 -16.722 -8.504 1.00 0.00 N ATOM 1051 CA GLY A 69 -3.027 -15.569 -8.997 1.00 0.00 C ATOM 1052 C GLY A 69 -3.715 -14.826 -7.850 1.00 0.00 C ATOM 1053 O GLY A 69 -3.488 -13.633 -7.653 1.00 0.00 O ATOM 0 H GLY A 69 -2.338 -17.544 -9.106 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.345 -14.894 -9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.772 -15.891 -9.725 1.00 0.00 H new ATOM 1057 N ASP A 70 -4.543 -15.562 -7.122 1.00 0.00 N ATOM 1058 CA ASP A 70 -5.265 -14.988 -6.000 1.00 0.00 C ATOM 1059 C ASP A 70 -4.352 -14.011 -5.257 1.00 0.00 C ATOM 1060 O ASP A 70 -4.699 -12.844 -5.079 1.00 0.00 O ATOM 1061 CB ASP A 70 -5.701 -16.072 -5.013 1.00 0.00 C ATOM 1062 CG ASP A 70 -6.917 -16.893 -5.447 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -7.991 -16.274 -5.607 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -6.744 -18.120 -5.611 1.00 0.00 O ATOM 0 H ASP A 70 -4.729 -16.551 -7.288 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.147 -14.481 -6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.864 -16.750 -4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.923 -15.602 -4.055 1.00 0.00 H new ATOM 1069 N ILE A 71 -3.202 -14.523 -4.844 1.00 0.00 N ATOM 1070 CA ILE A 71 -2.236 -13.710 -4.124 1.00 0.00 C ATOM 1071 C ILE A 71 -1.560 -12.746 -5.101 1.00 0.00 C ATOM 1072 O ILE A 71 -1.625 -11.530 -4.923 1.00 0.00 O ATOM 1073 CB ILE A 71 -1.254 -14.598 -3.357 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -1.991 -15.504 -2.369 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -0.176 -13.757 -2.671 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -1.051 -16.561 -1.788 1.00 0.00 C ATOM 0 H ILE A 71 -2.917 -15.491 -4.994 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.736 -13.102 -3.370 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.749 -15.247 -4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.411 -14.903 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.826 -15.992 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.509 -14.412 -2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.377 -13.192 -3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.645 -13.067 -1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.600 -17.192 -1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.652 -17.176 -2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.230 -16.070 -1.266 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.926 -13.324 -6.110 1.00 0.00 N ATOM 1089 CA GLN A 72 -0.238 -12.531 -7.115 1.00 0.00 C ATOM 1090 C GLN A 72 -1.031 -11.258 -7.420 1.00 0.00 C ATOM 1091 O GLN A 72 -0.495 -10.154 -7.338 1.00 0.00 O ATOM 1092 CB GLN A 72 0.001 -13.346 -8.387 1.00 0.00 C ATOM 1093 CG GLN A 72 1.477 -13.311 -8.791 1.00 0.00 C ATOM 1094 CD GLN A 72 1.641 -12.801 -10.224 1.00 0.00 C ATOM 1095 OE1 GLN A 72 0.857 -13.099 -11.110 1.00 0.00 O ATOM 1096 NE2 GLN A 72 2.702 -12.019 -10.402 1.00 0.00 N ATOM 0 H GLN A 72 -0.874 -14.333 -6.254 1.00 0.00 H new ATOM 0 HA GLN A 72 0.736 -12.243 -6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.311 -14.378 -8.226 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.611 -12.950 -9.197 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.030 -12.668 -8.107 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.905 -14.310 -8.705 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.318 -11.809 -9.617 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.899 -11.629 -11.324 1.00 0.00 H new ATOM 1105 N GLN A 73 -2.295 -11.455 -7.766 1.00 0.00 N ATOM 1106 CA GLN A 73 -3.166 -10.336 -8.084 1.00 0.00 C ATOM 1107 C GLN A 73 -3.172 -9.325 -6.936 1.00 0.00 C ATOM 1108 O GLN A 73 -2.814 -8.163 -7.126 1.00 0.00 O ATOM 1109 CB GLN A 73 -4.584 -10.818 -8.397 1.00 0.00 C ATOM 1110 CG GLN A 73 -4.895 -10.674 -9.888 1.00 0.00 C ATOM 1111 CD GLN A 73 -5.850 -9.504 -10.139 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -5.444 -8.378 -10.373 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -7.137 -9.834 -10.077 1.00 0.00 N ATOM 0 H GLN A 73 -2.736 -12.372 -7.833 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.780 -9.842 -8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.692 -11.861 -8.098 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.304 -10.244 -7.814 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.970 -10.518 -10.443 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.339 -11.597 -10.261 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.408 -10.797 -9.877 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.853 -9.124 -10.230 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.582 -9.803 -5.771 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.639 -8.955 -4.592 1.00 0.00 C ATOM 1124 C ALA A 74 -2.300 -8.234 -4.423 1.00 0.00 C ATOM 1125 O ALA A 74 -2.243 -7.006 -4.463 1.00 0.00 O ATOM 1126 CB ALA A 74 -4.005 -9.801 -3.371 1.00 0.00 C ATOM 0 H ALA A 74 -3.878 -10.767 -5.618 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.411 -8.194 -4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.048 -9.165 -2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.977 -10.267 -3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.251 -10.575 -3.225 1.00 0.00 H new ATOM 1132 N ARG A 75 -1.257 -9.028 -4.236 1.00 0.00 N ATOM 1133 CA ARG A 75 0.078 -8.482 -4.060 1.00 0.00 C ATOM 1134 C ARG A 75 0.341 -7.382 -5.090 1.00 0.00 C ATOM 1135 O ARG A 75 0.426 -6.206 -4.740 1.00 0.00 O ATOM 1136 CB ARG A 75 1.143 -9.571 -4.203 1.00 0.00 C ATOM 1137 CG ARG A 75 2.354 -9.274 -3.317 1.00 0.00 C ATOM 1138 CD ARG A 75 3.653 -9.700 -4.004 1.00 0.00 C ATOM 1139 NE ARG A 75 4.523 -8.522 -4.217 1.00 0.00 N ATOM 1140 CZ ARG A 75 4.447 -7.714 -5.284 1.00 0.00 C ATOM 1141 NH1 ARG A 75 3.539 -7.952 -6.241 1.00 0.00 N ATOM 1142 NH2 ARG A 75 5.277 -6.668 -5.393 1.00 0.00 N ATOM 0 H ARG A 75 -1.309 -10.046 -4.202 1.00 0.00 H new ATOM 0 HA ARG A 75 0.135 -8.065 -3.055 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.718 -10.538 -3.932 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.458 -9.642 -5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.391 -8.208 -3.090 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.252 -9.799 -2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.171 -10.439 -3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.430 -10.175 -4.959 1.00 0.00 H new ATOM 0 HE ARG A 75 5.225 -8.312 -3.507 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.906 -8.748 -6.157 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.481 -7.337 -7.053 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.967 -6.486 -4.664 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.219 -6.053 -6.205 1.00 0.00 H new ATOM 1156 N LYS A 76 0.463 -7.804 -6.340 1.00 0.00 N ATOM 1157 CA LYS A 76 0.715 -6.869 -7.424 1.00 0.00 C ATOM 1158 C LYS A 76 -0.271 -5.703 -7.326 1.00 0.00 C ATOM 1159 O LYS A 76 0.101 -4.551 -7.544 1.00 0.00 O ATOM 1160 CB LYS A 76 0.681 -7.591 -8.773 1.00 0.00 C ATOM 1161 CG LYS A 76 -0.758 -7.797 -9.248 1.00 0.00 C ATOM 1162 CD LYS A 76 -0.793 -8.259 -10.707 1.00 0.00 C ATOM 1163 CE LYS A 76 -0.013 -9.563 -10.888 1.00 0.00 C ATOM 1164 NZ LYS A 76 -0.674 -10.427 -11.892 1.00 0.00 N ATOM 0 H LYS A 76 0.392 -8.780 -6.626 1.00 0.00 H new ATOM 0 HA LYS A 76 1.717 -6.448 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.233 -7.012 -9.513 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.181 -8.556 -8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.251 -8.536 -8.617 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.316 -6.866 -9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.827 -8.403 -11.022 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.369 -7.486 -11.347 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.007 -9.343 -11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.055 -10.088 -9.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.306 -11.396 -11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.700 -10.431 -11.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.481 -10.061 -12.846 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.509 -6.042 -6.998 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.550 -5.038 -6.868 1.00 0.00 C ATOM 1180 C ARG A 77 -2.236 -4.094 -5.705 1.00 0.00 C ATOM 1181 O ARG A 77 -2.635 -2.931 -5.720 1.00 0.00 O ATOM 1182 CB ARG A 77 -3.916 -5.688 -6.633 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.492 -6.239 -7.939 1.00 0.00 C ATOM 1184 CD ARG A 77 -5.628 -5.353 -8.454 1.00 0.00 C ATOM 1185 NE ARG A 77 -6.772 -6.191 -8.876 1.00 0.00 N ATOM 1186 CZ ARG A 77 -7.721 -6.641 -8.043 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -7.667 -6.337 -6.739 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -8.723 -7.396 -8.514 1.00 0.00 N ATOM 0 H ARG A 77 -1.814 -6.999 -6.818 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.584 -4.473 -7.800 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.819 -6.494 -5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.603 -4.956 -6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.705 -6.301 -8.690 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.860 -7.252 -7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.942 -4.660 -7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.279 -4.751 -9.293 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.843 -6.442 -9.862 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.904 -5.763 -6.380 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.389 -6.679 -6.105 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.764 -7.628 -9.506 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.445 -7.738 -7.880 1.00 0.00 H new ATOM 1202 N ALA A 78 -1.524 -4.631 -4.725 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.151 -3.851 -3.557 1.00 0.00 C ATOM 1204 C ALA A 78 0.155 -3.108 -3.841 1.00 0.00 C ATOM 1205 O ALA A 78 0.336 -1.973 -3.403 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.045 -4.772 -2.340 1.00 0.00 C ATOM 0 H ALA A 78 -1.196 -5.597 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.913 -3.104 -3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.765 -4.187 -1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.007 -5.253 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.287 -5.533 -2.525 1.00 0.00 H new ATOM 1212 N ALA A 79 1.033 -3.778 -4.573 1.00 0.00 N ATOM 1213 CA ALA A 79 2.318 -3.195 -4.921 1.00 0.00 C ATOM 1214 C ALA A 79 2.091 -1.910 -5.719 1.00 0.00 C ATOM 1215 O ALA A 79 2.989 -1.077 -5.830 1.00 0.00 O ATOM 1216 CB ALA A 79 3.152 -4.221 -5.691 1.00 0.00 C ATOM 0 H ALA A 79 0.880 -4.719 -4.935 1.00 0.00 H new ATOM 0 HA ALA A 79 2.876 -2.930 -4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.116 -3.784 -5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.310 -5.102 -5.069 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.625 -4.509 -6.601 1.00 0.00 H new ATOM 1222 N GLN A 80 0.885 -1.790 -6.255 1.00 0.00 N ATOM 1223 CA GLN A 80 0.529 -0.620 -7.040 1.00 0.00 C ATOM 1224 C GLN A 80 -0.282 0.362 -6.192 1.00 0.00 C ATOM 1225 O GLN A 80 0.024 1.552 -6.151 1.00 0.00 O ATOM 1226 CB GLN A 80 -0.240 -1.020 -8.301 1.00 0.00 C ATOM 1227 CG GLN A 80 0.680 -1.714 -9.307 1.00 0.00 C ATOM 1228 CD GLN A 80 -0.088 -2.114 -10.568 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -1.176 -2.664 -10.516 1.00 0.00 O ATOM 1230 NE2 GLN A 80 0.536 -1.807 -11.702 1.00 0.00 N ATOM 0 H GLN A 80 0.143 -2.483 -6.161 1.00 0.00 H new ATOM 0 HA GLN A 80 1.447 -0.125 -7.355 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.061 -1.685 -8.035 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.682 -0.135 -8.758 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.501 -1.049 -9.573 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.122 -2.599 -8.850 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.446 -1.347 -11.675 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.105 -2.032 -12.599 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.301 -0.174 -5.536 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.159 0.640 -4.691 1.00 0.00 C ATOM 1241 C GLU A 81 -1.314 1.559 -3.807 1.00 0.00 C ATOM 1242 O GLU A 81 -1.527 2.770 -3.781 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.086 -0.235 -3.846 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.552 0.009 -4.208 1.00 0.00 C ATOM 1245 CD GLU A 81 -4.852 -0.469 -5.630 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -4.842 -1.703 -5.828 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.085 0.411 -6.487 1.00 0.00 O ATOM 0 H GLU A 81 -1.552 -1.162 -5.573 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.785 1.260 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.840 -1.286 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.929 -0.022 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.197 -0.513 -3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.780 1.071 -4.122 1.00 0.00 H new ATOM 1254 N THR A 82 -0.372 0.948 -3.103 1.00 0.00 N ATOM 1255 CA THR A 82 0.506 1.696 -2.219 1.00 0.00 C ATOM 1256 C THR A 82 1.262 2.770 -3.003 1.00 0.00 C ATOM 1257 O THR A 82 1.131 3.959 -2.718 1.00 0.00 O ATOM 1258 CB THR A 82 1.426 0.698 -1.512 1.00 0.00 C ATOM 1259 OG1 THR A 82 0.607 0.134 -0.491 1.00 0.00 O ATOM 1260 CG2 THR A 82 2.556 1.387 -0.745 1.00 0.00 C ATOM 0 H THR A 82 -0.198 -0.057 -3.127 1.00 0.00 H new ATOM 0 HA THR A 82 -0.061 2.232 -1.458 1.00 0.00 H new ATOM 0 HB THR A 82 1.850 0.012 -2.245 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.066 -0.633 -0.089 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.179 0.635 -0.262 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.163 1.971 -1.437 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.132 2.047 0.012 1.00 0.00 H new ATOM 1268 N GLU A 83 2.038 2.312 -3.975 1.00 0.00 N ATOM 1269 CA GLU A 83 2.816 3.219 -4.802 1.00 0.00 C ATOM 1270 C GLU A 83 1.896 4.226 -5.495 1.00 0.00 C ATOM 1271 O GLU A 83 2.356 5.251 -5.994 1.00 0.00 O ATOM 1272 CB GLU A 83 3.654 2.448 -5.823 1.00 0.00 C ATOM 1273 CG GLU A 83 4.594 1.461 -5.128 1.00 0.00 C ATOM 1274 CD GLU A 83 5.776 2.190 -4.485 1.00 0.00 C ATOM 1275 OE1 GLU A 83 6.551 2.801 -5.252 1.00 0.00 O ATOM 1276 OE2 GLU A 83 5.877 2.119 -3.241 1.00 0.00 O ATOM 0 H GLU A 83 2.144 1.325 -4.208 1.00 0.00 H new ATOM 0 HA GLU A 83 3.503 3.768 -4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.997 1.910 -6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.235 3.147 -6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.046 0.906 -4.366 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.961 0.732 -5.851 1.00 0.00 H new ATOM 1283 N ARG A 84 0.612 3.898 -5.504 1.00 0.00 N ATOM 1284 CA ARG A 84 -0.377 4.760 -6.128 1.00 0.00 C ATOM 1285 C ARG A 84 -0.634 5.990 -5.256 1.00 0.00 C ATOM 1286 O ARG A 84 -0.663 7.114 -5.755 1.00 0.00 O ATOM 1287 CB ARG A 84 -1.695 4.016 -6.350 1.00 0.00 C ATOM 1288 CG ARG A 84 -2.057 3.974 -7.836 1.00 0.00 C ATOM 1289 CD ARG A 84 -2.997 2.806 -8.139 1.00 0.00 C ATOM 1290 NE ARG A 84 -4.221 3.301 -8.809 1.00 0.00 N ATOM 1291 CZ ARG A 84 -5.205 2.509 -9.255 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -5.116 1.180 -9.106 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -6.279 3.046 -9.851 1.00 0.00 N ATOM 0 H ARG A 84 0.234 3.047 -5.089 1.00 0.00 H new ATOM 0 HA ARG A 84 0.018 5.072 -7.095 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.613 3.000 -5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.492 4.506 -5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.532 4.912 -8.125 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.150 3.879 -8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.493 2.079 -8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.261 2.292 -7.215 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.321 4.308 -8.939 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.299 0.771 -8.653 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.866 0.577 -9.446 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.347 4.057 -9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.028 2.443 -10.191 1.00 0.00 H new ATOM 1307 N LEU A 85 -0.815 5.736 -3.968 1.00 0.00 N ATOM 1308 CA LEU A 85 -1.069 6.809 -3.022 1.00 0.00 C ATOM 1309 C LEU A 85 0.204 7.639 -2.845 1.00 0.00 C ATOM 1310 O LEU A 85 0.150 8.868 -2.826 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.623 6.247 -1.711 1.00 0.00 C ATOM 1312 CG LEU A 85 -3.141 6.065 -1.648 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -3.518 4.933 -0.691 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -3.835 7.379 -1.283 1.00 0.00 C ATOM 0 H LEU A 85 -0.791 4.803 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.838 7.480 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.153 5.281 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.322 6.909 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.493 5.779 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.602 4.825 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.068 4.001 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.152 5.165 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.913 7.223 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.483 7.718 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.604 8.133 -2.035 1.00 0.00 H new ATOM 1326 N LEU A 86 1.320 6.935 -2.720 1.00 0.00 N ATOM 1327 CA LEU A 86 2.604 7.592 -2.546 1.00 0.00 C ATOM 1328 C LEU A 86 2.668 8.825 -3.450 1.00 0.00 C ATOM 1329 O LEU A 86 3.204 9.860 -3.056 1.00 0.00 O ATOM 1330 CB LEU A 86 3.748 6.602 -2.775 1.00 0.00 C ATOM 1331 CG LEU A 86 4.638 6.315 -1.564 1.00 0.00 C ATOM 1332 CD1 LEU A 86 5.325 4.954 -1.700 1.00 0.00 C ATOM 1333 CD2 LEU A 86 5.645 7.446 -1.344 1.00 0.00 C ATOM 0 H LEU A 86 1.361 5.916 -2.736 1.00 0.00 H new ATOM 0 HA LEU A 86 2.717 7.942 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.323 5.660 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.376 6.983 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 86 4.006 6.270 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.952 4.774 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.570 4.171 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.943 4.947 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.265 7.217 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.277 7.547 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.111 8.380 -1.172 1.00 0.00 H new ATOM 1345 N LYS A 87 2.114 8.673 -4.644 1.00 0.00 N ATOM 1346 CA LYS A 87 2.102 9.762 -5.607 1.00 0.00 C ATOM 1347 C LYS A 87 1.303 10.934 -5.034 1.00 0.00 C ATOM 1348 O LYS A 87 1.868 11.982 -4.722 1.00 0.00 O ATOM 1349 CB LYS A 87 1.589 9.272 -6.962 1.00 0.00 C ATOM 1350 CG LYS A 87 2.746 8.813 -7.853 1.00 0.00 C ATOM 1351 CD LYS A 87 3.465 7.610 -7.240 1.00 0.00 C ATOM 1352 CE LYS A 87 4.938 7.928 -6.975 1.00 0.00 C ATOM 1353 NZ LYS A 87 5.737 6.683 -6.926 1.00 0.00 N ATOM 0 H LYS A 87 1.670 7.813 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 87 3.114 10.124 -5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.890 8.449 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.039 10.072 -7.458 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.367 8.550 -8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.452 9.632 -7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.977 7.327 -6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.389 6.755 -7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.321 8.582 -7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.036 8.467 -6.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.734 6.917 -6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.381 6.072 -6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.658 6.184 -7.835 1.00 0.00 H new ATOM 1367 N GLU A 88 0.001 10.719 -4.913 1.00 0.00 N ATOM 1368 CA GLU A 88 -0.881 11.745 -4.384 1.00 0.00 C ATOM 1369 C GLU A 88 -0.206 12.478 -3.223 1.00 0.00 C ATOM 1370 O GLU A 88 -0.299 13.700 -3.118 1.00 0.00 O ATOM 1371 CB GLU A 88 -2.220 11.146 -3.949 1.00 0.00 C ATOM 1372 CG GLU A 88 -3.045 10.710 -5.162 1.00 0.00 C ATOM 1373 CD GLU A 88 -4.166 11.710 -5.450 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -3.851 12.919 -5.493 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -5.313 11.243 -5.621 1.00 0.00 O ATOM 0 H GLU A 88 -0.464 9.849 -5.172 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.083 12.466 -5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.045 10.290 -3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.779 11.880 -3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.397 10.623 -6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.471 9.723 -4.981 1.00 0.00 H new ATOM 1382 N LEU A 89 0.459 11.701 -2.380 1.00 0.00 N ATOM 1383 CA LEU A 89 1.149 12.261 -1.231 1.00 0.00 C ATOM 1384 C LEU A 89 2.020 13.433 -1.687 1.00 0.00 C ATOM 1385 O LEU A 89 1.991 14.505 -1.083 1.00 0.00 O ATOM 1386 CB LEU A 89 1.924 11.171 -0.488 1.00 0.00 C ATOM 1387 CG LEU A 89 2.266 11.469 0.973 1.00 0.00 C ATOM 1388 CD1 LEU A 89 1.043 12.000 1.725 1.00 0.00 C ATOM 1389 CD2 LEU A 89 2.870 10.240 1.657 1.00 0.00 C ATOM 0 H LEU A 89 0.534 10.688 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 89 0.432 12.657 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.342 10.250 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.853 10.982 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 89 3.023 12.253 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.313 12.204 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.696 12.919 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.247 11.256 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.104 10.479 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.155 9.418 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.782 9.946 1.138 1.00 0.00 H new ATOM 1401 N GLU A 90 2.776 13.190 -2.748 1.00 0.00 N ATOM 1402 CA GLU A 90 3.654 14.212 -3.291 1.00 0.00 C ATOM 1403 C GLU A 90 2.834 15.308 -3.975 1.00 0.00 C ATOM 1404 O GLU A 90 2.971 16.486 -3.649 1.00 0.00 O ATOM 1405 CB GLU A 90 4.671 13.604 -4.259 1.00 0.00 C ATOM 1406 CG GLU A 90 5.126 14.634 -5.295 1.00 0.00 C ATOM 1407 CD GLU A 90 6.599 14.432 -5.658 1.00 0.00 C ATOM 1408 OE1 GLU A 90 6.975 13.259 -5.869 1.00 0.00 O ATOM 1409 OE2 GLU A 90 7.314 15.455 -5.717 1.00 0.00 O ATOM 0 H GLU A 90 2.798 12.300 -3.246 1.00 0.00 H new ATOM 0 HA GLU A 90 4.209 14.661 -2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.534 13.237 -3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.229 12.745 -4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.512 14.549 -6.191 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.979 15.640 -4.902 1.00 0.00 H new ATOM 1416 N GLN A 91 1.999 14.881 -4.910 1.00 0.00 N ATOM 1417 CA GLN A 91 1.156 15.811 -5.643 1.00 0.00 C ATOM 1418 C GLN A 91 0.472 16.781 -4.677 1.00 0.00 C ATOM 1419 O GLN A 91 0.605 17.996 -4.814 1.00 0.00 O ATOM 1420 CB GLN A 91 0.126 15.065 -6.493 1.00 0.00 C ATOM 1421 CG GLN A 91 0.107 15.601 -7.926 1.00 0.00 C ATOM 1422 CD GLN A 91 -1.137 15.118 -8.675 1.00 0.00 C ATOM 1423 OE1 GLN A 91 -1.097 14.188 -9.464 1.00 0.00 O ATOM 1424 NE2 GLN A 91 -2.242 15.800 -8.385 1.00 0.00 N ATOM 0 H GLN A 91 1.888 13.903 -5.177 1.00 0.00 H new ATOM 0 HA GLN A 91 1.787 16.387 -6.320 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.359 14.000 -6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.863 15.171 -6.048 1.00 0.00 H new ATOM 0 HG2 GLN A 91 0.127 16.691 -7.911 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.003 15.273 -8.453 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.206 16.568 -7.715 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.125 15.555 -8.833 1.00 0.00 H new ATOM 1433 N ASN A 92 -0.246 16.207 -3.723 1.00 0.00 N ATOM 1434 CA ASN A 92 -0.951 17.005 -2.735 1.00 0.00 C ATOM 1435 C ASN A 92 0.052 17.881 -1.982 1.00 0.00 C ATOM 1436 O ASN A 92 -0.224 19.047 -1.701 1.00 0.00 O ATOM 1437 CB ASN A 92 -1.662 16.115 -1.713 1.00 0.00 C ATOM 1438 CG ASN A 92 -3.156 16.008 -2.024 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -3.869 16.993 -2.117 1.00 0.00 O ATOM 1440 ND2 ASN A 92 -3.588 14.760 -2.179 1.00 0.00 N ATOM 0 H ASN A 92 -0.355 15.199 -3.613 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.688 17.614 -3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.214 15.121 -1.717 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.524 16.523 -0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.570 14.583 -2.389 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.937 13.980 -2.088 1.00 0.00 H new ATOM 1447 N ALA A 93 1.196 17.286 -1.676 1.00 0.00 N ATOM 1448 CA ALA A 93 2.242 17.998 -0.962 1.00 0.00 C ATOM 1449 C ALA A 93 2.336 19.429 -1.496 1.00 0.00 C ATOM 1450 O ALA A 93 1.865 20.367 -0.855 1.00 0.00 O ATOM 1451 CB ALA A 93 3.562 17.237 -1.098 1.00 0.00 C ATOM 0 H ALA A 93 1.421 16.319 -1.910 1.00 0.00 H new ATOM 0 HA ALA A 93 2.008 18.058 0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.347 17.771 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.451 16.238 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.830 17.159 -2.152 1.00 0.00 H new ATOM 1457 N SER A 94 2.948 19.551 -2.665 1.00 0.00 N ATOM 1458 CA SER A 94 3.111 20.851 -3.293 1.00 0.00 C ATOM 1459 C SER A 94 3.791 20.694 -4.654 1.00 0.00 C ATOM 1460 O SER A 94 3.427 21.370 -5.615 1.00 0.00 O ATOM 1461 CB SER A 94 3.919 21.796 -2.402 1.00 0.00 C ATOM 1462 OG SER A 94 5.320 21.552 -2.498 1.00 0.00 O ATOM 0 H SER A 94 3.337 18.770 -3.194 1.00 0.00 H new ATOM 0 HA SER A 94 2.122 21.287 -3.436 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.710 22.828 -2.685 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.601 21.679 -1.366 1.00 0.00 H new ATOM 0 HG SER A 94 5.794 22.403 -2.601 1.00 0.00 H new