USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=13 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 14 HIS : no HD1:sc= -6.04! C(o=-6.3!,f=-13!) USER MOD Set 1.2: A 16 SER OG : rot -142:sc= -0.293 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc=-0.000165 X(o=-0.00016,f=-0.25) USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= 0.138 (180deg=0.00204) USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -23:sc= 1.05 USER MOD Single : A 46 TYR OH : rot 29:sc= 0.033 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 :FLIP amide:sc= -1.73 F(o=-4!,f=-1.7) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.42) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0.27 X(o=0.27,f=0) USER MOD Single : A 82 THR OG1 : rot 40:sc= -5.82! 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= -0.408 K(o=-0.41,f=-2!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N HIS A 14 -4.657 -18.583 3.683 1.00 0.00 N ATOM 151 CA HIS A 14 -3.272 -18.413 3.280 1.00 0.00 C ATOM 152 C HIS A 14 -2.615 -17.335 4.145 1.00 0.00 C ATOM 153 O HIS A 14 -3.242 -16.328 4.471 1.00 0.00 O ATOM 154 CB HIS A 14 -3.174 -18.113 1.783 1.00 0.00 C ATOM 155 CG HIS A 14 -1.854 -18.504 1.163 1.00 0.00 C ATOM 156 ND1 HIS A 14 -0.766 -17.650 1.114 1.00 0.00 N ATOM 157 CD2 HIS A 14 -1.458 -19.666 0.569 1.00 0.00 C ATOM 158 CE1 HIS A 14 0.234 -18.280 0.514 1.00 0.00 C ATOM 159 NE2 HIS A 14 -0.198 -19.529 0.177 1.00 0.00 N ATOM 0 HA HIS A 14 -2.726 -19.343 3.441 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.977 -18.638 1.265 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.336 -17.047 1.625 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.067 -20.548 0.440 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.217 -17.876 0.325 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.357 -20.241 -0.298 1.00 0.00 H new ATOM 167 N PRO A 15 -1.327 -17.589 4.501 1.00 0.00 N ATOM 168 CA PRO A 15 -0.579 -16.652 5.322 1.00 0.00 C ATOM 169 C PRO A 15 -0.149 -15.431 4.506 1.00 0.00 C ATOM 170 O PRO A 15 0.445 -14.498 5.045 1.00 0.00 O ATOM 171 CB PRO A 15 0.597 -17.452 5.859 1.00 0.00 C ATOM 172 CG PRO A 15 0.722 -18.668 4.954 1.00 0.00 C ATOM 173 CD PRO A 15 -0.553 -18.771 4.133 1.00 0.00 C ATOM 0 HA PRO A 15 -1.172 -16.242 6.140 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.512 -16.859 5.845 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.426 -17.751 6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.589 -18.570 4.301 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.869 -19.571 5.546 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.336 -18.786 3.065 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.097 -19.688 4.360 1.00 0.00 H new ATOM 181 N SER A 16 -0.465 -15.477 3.220 1.00 0.00 N ATOM 182 CA SER A 16 -0.119 -14.386 2.326 1.00 0.00 C ATOM 183 C SER A 16 -1.353 -13.525 2.047 1.00 0.00 C ATOM 184 O SER A 16 -1.236 -12.324 1.809 1.00 0.00 O ATOM 185 CB SER A 16 0.467 -14.914 1.014 1.00 0.00 C ATOM 186 OG SER A 16 1.577 -15.779 1.235 1.00 0.00 O ATOM 0 H SER A 16 -0.957 -16.253 2.776 1.00 0.00 H new ATOM 0 HA SER A 16 0.640 -13.774 2.812 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.305 -15.449 0.462 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.780 -14.075 0.393 1.00 0.00 H new ATOM 0 HG SER A 16 2.257 -15.621 0.547 1.00 0.00 H new ATOM 192 N ILE A 17 -2.508 -14.173 2.087 1.00 0.00 N ATOM 193 CA ILE A 17 -3.762 -13.482 1.842 1.00 0.00 C ATOM 194 C ILE A 17 -4.119 -12.633 3.064 1.00 0.00 C ATOM 195 O ILE A 17 -4.491 -11.469 2.928 1.00 0.00 O ATOM 196 CB ILE A 17 -4.854 -14.478 1.446 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.578 -15.074 0.064 1.00 0.00 C ATOM 198 CG2 ILE A 17 -6.239 -13.834 1.525 1.00 0.00 C ATOM 199 CD1 ILE A 17 -4.800 -14.033 -1.036 1.00 0.00 C ATOM 0 H ILE A 17 -2.601 -15.169 2.285 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.662 -12.800 0.997 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.840 -15.301 2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.553 -15.441 0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.231 -15.931 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.996 -14.564 1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.426 -13.498 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.283 -12.981 0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.597 -14.482 -2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.833 -13.686 -1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.128 -13.189 -0.879 1.00 0.00 H new ATOM 211 N SER A 18 -3.992 -13.249 4.230 1.00 0.00 N ATOM 212 CA SER A 18 -4.296 -12.564 5.475 1.00 0.00 C ATOM 213 C SER A 18 -3.358 -11.370 5.658 1.00 0.00 C ATOM 214 O SER A 18 -3.784 -10.303 6.099 1.00 0.00 O ATOM 215 CB SER A 18 -4.184 -13.515 6.668 1.00 0.00 C ATOM 216 OG SER A 18 -4.429 -12.851 7.905 1.00 0.00 O ATOM 0 H SER A 18 -3.683 -14.215 4.339 1.00 0.00 H new ATOM 0 HA SER A 18 -5.324 -12.205 5.426 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.895 -14.332 6.548 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.189 -13.959 6.686 1.00 0.00 H new ATOM 0 HG SER A 18 -4.350 -13.492 8.642 1.00 0.00 H new ATOM 222 N ARG A 19 -2.099 -11.588 5.310 1.00 0.00 N ATOM 223 CA ARG A 19 -1.097 -10.543 5.430 1.00 0.00 C ATOM 224 C ARG A 19 -1.505 -9.319 4.607 1.00 0.00 C ATOM 225 O ARG A 19 -1.661 -8.226 5.148 1.00 0.00 O ATOM 226 CB ARG A 19 0.272 -11.035 4.955 1.00 0.00 C ATOM 227 CG ARG A 19 1.368 -10.654 5.953 1.00 0.00 C ATOM 228 CD ARG A 19 1.350 -11.584 7.168 1.00 0.00 C ATOM 229 NE ARG A 19 1.777 -12.944 6.770 1.00 0.00 N ATOM 230 CZ ARG A 19 3.027 -13.263 6.407 1.00 0.00 C ATOM 231 NH1 ARG A 19 3.980 -12.322 6.389 1.00 0.00 N ATOM 232 NH2 ARG A 19 3.323 -14.523 6.062 1.00 0.00 N ATOM 0 H ARG A 19 -1.749 -12.474 4.945 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.027 -10.270 6.483 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.250 -12.118 4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.498 -10.605 3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.342 -10.705 5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.227 -9.623 6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.013 -11.198 7.942 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.348 -11.619 7.595 1.00 0.00 H new ATOM 0 HE ARG A 19 1.076 -13.685 6.772 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.754 -11.363 6.652 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.931 -12.565 6.113 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.597 -15.239 6.076 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.274 -14.766 5.786 1.00 0.00 H new ATOM 246 N LEU A 20 -1.667 -9.545 3.311 1.00 0.00 N ATOM 247 CA LEU A 20 -2.054 -8.474 2.408 1.00 0.00 C ATOM 248 C LEU A 20 -3.314 -7.792 2.943 1.00 0.00 C ATOM 249 O LEU A 20 -3.460 -6.576 2.833 1.00 0.00 O ATOM 250 CB LEU A 20 -2.201 -9.005 0.980 1.00 0.00 C ATOM 251 CG LEU A 20 -0.900 -9.196 0.198 1.00 0.00 C ATOM 252 CD1 LEU A 20 -1.140 -10.007 -1.076 1.00 0.00 C ATOM 253 CD2 LEU A 20 -0.235 -7.850 -0.097 1.00 0.00 C ATOM 0 H LEU A 20 -1.537 -10.453 2.865 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.275 -7.713 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.721 -9.962 1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.839 -8.320 0.423 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.210 -9.768 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.199 -10.128 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.537 -10.988 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.855 -9.484 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.688 -8.014 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.911 -7.232 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.008 -7.343 0.841 1.00 0.00 H new ATOM 265 N GLN A 21 -4.193 -8.605 3.512 1.00 0.00 N ATOM 266 CA GLN A 21 -5.436 -8.094 4.064 1.00 0.00 C ATOM 267 C GLN A 21 -5.150 -7.168 5.247 1.00 0.00 C ATOM 268 O GLN A 21 -5.990 -6.349 5.616 1.00 0.00 O ATOM 269 CB GLN A 21 -6.363 -9.239 4.476 1.00 0.00 C ATOM 270 CG GLN A 21 -7.343 -9.583 3.352 1.00 0.00 C ATOM 271 CD GLN A 21 -8.675 -10.079 3.919 1.00 0.00 C ATOM 272 OE1 GLN A 21 -9.596 -9.319 4.165 1.00 0.00 O ATOM 273 NE2 GLN A 21 -8.724 -11.394 4.111 1.00 0.00 N ATOM 0 H GLN A 21 -4.069 -9.613 3.602 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.945 -7.517 3.291 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.771 -10.118 4.728 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.916 -8.959 5.373 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.513 -8.704 2.731 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.910 -10.349 2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.916 -11.973 3.883 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.570 -11.824 4.486 1.00 0.00 H new ATOM 282 N GLU A 22 -3.960 -7.328 5.809 1.00 0.00 N ATOM 283 CA GLU A 22 -3.553 -6.516 6.943 1.00 0.00 C ATOM 284 C GLU A 22 -2.648 -5.373 6.479 1.00 0.00 C ATOM 285 O GLU A 22 -2.343 -4.465 7.251 1.00 0.00 O ATOM 286 CB GLU A 22 -2.858 -7.368 8.007 1.00 0.00 C ATOM 287 CG GLU A 22 -3.846 -7.804 9.091 1.00 0.00 C ATOM 288 CD GLU A 22 -3.154 -7.913 10.451 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.601 -9.002 10.721 1.00 0.00 O ATOM 290 OE2 GLU A 22 -3.193 -6.907 11.191 1.00 0.00 O ATOM 0 H GLU A 22 -3.265 -8.008 5.500 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.446 -6.086 7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.413 -8.247 7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.044 -6.800 8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.665 -7.087 9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.284 -8.766 8.824 1.00 0.00 H new ATOM 297 N ILE A 23 -2.243 -5.455 5.221 1.00 0.00 N ATOM 298 CA ILE A 23 -1.378 -4.439 4.645 1.00 0.00 C ATOM 299 C ILE A 23 -2.222 -3.464 3.821 1.00 0.00 C ATOM 300 O ILE A 23 -1.938 -2.268 3.785 1.00 0.00 O ATOM 301 CB ILE A 23 -0.241 -5.088 3.853 1.00 0.00 C ATOM 302 CG1 ILE A 23 0.806 -5.691 4.792 1.00 0.00 C ATOM 303 CG2 ILE A 23 0.377 -4.095 2.867 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.278 -7.055 4.283 1.00 0.00 C ATOM 0 H ILE A 23 -2.498 -6.209 4.584 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.896 -3.859 5.432 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.657 -5.907 3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.657 -5.015 4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.385 -5.798 5.792 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.182 -4.582 2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.386 -3.755 2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.776 -3.240 3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.022 -7.462 4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.428 -7.735 4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.721 -6.941 3.293 1.00 0.00 H new ATOM 316 N GLN A 24 -3.245 -4.012 3.180 1.00 0.00 N ATOM 317 CA GLN A 24 -4.132 -3.206 2.359 1.00 0.00 C ATOM 318 C GLN A 24 -4.948 -2.254 3.237 1.00 0.00 C ATOM 319 O GLN A 24 -5.014 -1.056 2.964 1.00 0.00 O ATOM 320 CB GLN A 24 -5.048 -4.090 1.511 1.00 0.00 C ATOM 321 CG GLN A 24 -4.311 -4.619 0.278 1.00 0.00 C ATOM 322 CD GLN A 24 -5.258 -5.404 -0.631 1.00 0.00 C ATOM 323 OE1 GLN A 24 -6.376 -4.999 -0.905 1.00 0.00 O ATOM 324 NE2 GLN A 24 -4.751 -6.548 -1.082 1.00 0.00 N ATOM 0 H GLN A 24 -3.479 -5.004 3.213 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.524 -2.611 1.678 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.409 -4.926 2.110 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.923 -3.520 1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.877 -3.787 -0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.486 -5.260 0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.808 -6.828 -0.814 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.306 -7.145 -1.696 1.00 0.00 H new ATOM 333 N ARG A 25 -5.549 -2.823 4.271 1.00 0.00 N ATOM 334 CA ARG A 25 -6.357 -2.040 5.190 1.00 0.00 C ATOM 335 C ARG A 25 -5.529 -0.900 5.787 1.00 0.00 C ATOM 336 O ARG A 25 -6.081 0.102 6.240 1.00 0.00 O ATOM 337 CB ARG A 25 -6.904 -2.911 6.323 1.00 0.00 C ATOM 338 CG ARG A 25 -5.772 -3.427 7.213 1.00 0.00 C ATOM 339 CD ARG A 25 -6.326 -4.182 8.423 1.00 0.00 C ATOM 340 NE ARG A 25 -6.594 -3.237 9.530 1.00 0.00 N ATOM 341 CZ ARG A 25 -7.037 -3.604 10.740 1.00 0.00 C ATOM 342 NH1 ARG A 25 -7.266 -4.897 11.006 1.00 0.00 N ATOM 343 NH2 ARG A 25 -7.253 -2.677 11.684 1.00 0.00 N ATOM 0 H ARG A 25 -5.493 -3.817 4.493 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.194 -1.629 4.626 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.608 -2.334 6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.456 -3.753 5.905 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.122 -4.085 6.636 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.160 -2.591 7.551 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.243 -4.703 8.148 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.613 -4.941 8.746 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.431 -2.244 9.361 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.103 -5.602 10.287 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.603 -5.176 11.927 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.080 -1.692 11.481 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.590 -2.956 12.605 1.00 0.00 H new ATOM 357 N GLU A 26 -4.218 -1.091 5.768 1.00 0.00 N ATOM 358 CA GLU A 26 -3.309 -0.091 6.302 1.00 0.00 C ATOM 359 C GLU A 26 -3.206 1.098 5.345 1.00 0.00 C ATOM 360 O GLU A 26 -3.471 2.235 5.732 1.00 0.00 O ATOM 361 CB GLU A 26 -1.930 -0.695 6.576 1.00 0.00 C ATOM 362 CG GLU A 26 -1.911 -1.434 7.916 1.00 0.00 C ATOM 363 CD GLU A 26 -1.436 -0.514 9.042 1.00 0.00 C ATOM 364 OE1 GLU A 26 -2.169 0.457 9.329 1.00 0.00 O ATOM 365 OE2 GLU A 26 -0.351 -0.803 9.591 1.00 0.00 O ATOM 0 H GLU A 26 -3.764 -1.923 5.391 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.709 0.265 7.251 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.665 -1.383 5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.178 0.094 6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.909 -1.808 8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.254 -2.301 7.848 1.00 0.00 H new ATOM 372 N VAL A 27 -2.822 0.795 4.114 1.00 0.00 N ATOM 373 CA VAL A 27 -2.681 1.825 3.099 1.00 0.00 C ATOM 374 C VAL A 27 -4.043 2.472 2.843 1.00 0.00 C ATOM 375 O VAL A 27 -4.120 3.652 2.501 1.00 0.00 O ATOM 376 CB VAL A 27 -2.055 1.231 1.835 1.00 0.00 C ATOM 377 CG1 VAL A 27 -0.716 0.561 2.149 1.00 0.00 C ATOM 378 CG2 VAL A 27 -3.013 0.251 1.156 1.00 0.00 C ATOM 0 H VAL A 27 -2.604 -0.149 3.796 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.007 2.610 3.442 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.865 2.049 1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.293 0.147 1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.029 1.298 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.871 -0.240 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.543 -0.156 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.250 -0.561 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.930 0.771 0.880 1.00 0.00 H new ATOM 388 N LYS A 28 -5.085 1.673 3.019 1.00 0.00 N ATOM 389 CA LYS A 28 -6.441 2.154 2.812 1.00 0.00 C ATOM 390 C LYS A 28 -6.856 3.023 4.001 1.00 0.00 C ATOM 391 O LYS A 28 -7.489 4.063 3.823 1.00 0.00 O ATOM 392 CB LYS A 28 -7.389 0.984 2.545 1.00 0.00 C ATOM 393 CG LYS A 28 -8.645 1.453 1.807 1.00 0.00 C ATOM 394 CD LYS A 28 -8.418 1.468 0.294 1.00 0.00 C ATOM 395 CE LYS A 28 -8.870 0.152 -0.342 1.00 0.00 C ATOM 396 NZ LYS A 28 -9.057 0.318 -1.801 1.00 0.00 N ATOM 0 H LYS A 28 -5.018 0.696 3.303 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.491 2.784 1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.878 0.225 1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.671 0.517 3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.479 0.794 2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.920 2.452 2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.966 2.298 -0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.362 1.634 0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.129 -0.624 -0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.803 -0.178 0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.797 -0.334 -2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.341 1.297 -2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.165 0.107 -2.292 1.00 0.00 H new ATOM 410 N ALA A 29 -6.483 2.566 5.187 1.00 0.00 N ATOM 411 CA ALA A 29 -6.808 3.289 6.404 1.00 0.00 C ATOM 412 C ALA A 29 -5.970 4.567 6.473 1.00 0.00 C ATOM 413 O ALA A 29 -6.249 5.454 7.278 1.00 0.00 O ATOM 414 CB ALA A 29 -6.585 2.379 7.614 1.00 0.00 C ATOM 0 H ALA A 29 -5.958 1.703 5.331 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.858 3.583 6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.829 2.922 8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.225 1.501 7.532 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.542 2.065 7.646 1.00 0.00 H new ATOM 420 N ILE A 30 -4.958 4.619 5.619 1.00 0.00 N ATOM 421 CA ILE A 30 -4.077 5.774 5.574 1.00 0.00 C ATOM 422 C ILE A 30 -4.208 6.456 4.210 1.00 0.00 C ATOM 423 O ILE A 30 -3.570 7.477 3.960 1.00 0.00 O ATOM 424 CB ILE A 30 -2.643 5.368 5.923 1.00 0.00 C ATOM 425 CG1 ILE A 30 -2.019 4.539 4.798 1.00 0.00 C ATOM 426 CG2 ILE A 30 -2.592 4.639 7.267 1.00 0.00 C ATOM 427 CD1 ILE A 30 -0.870 5.299 4.131 1.00 0.00 C ATOM 0 H ILE A 30 -4.729 3.881 4.953 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.369 6.506 6.327 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.046 6.274 6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.651 3.594 5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.779 4.296 4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.562 4.361 7.492 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.970 5.295 8.051 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.207 3.741 7.217 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.443 4.688 3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.246 6.232 3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.101 5.519 4.871 1.00 0.00 H new ATOM 439 N GLU A 31 -5.039 5.864 3.366 1.00 0.00 N ATOM 440 CA GLU A 31 -5.262 6.402 2.034 1.00 0.00 C ATOM 441 C GLU A 31 -5.761 7.846 2.122 1.00 0.00 C ATOM 442 O GLU A 31 -5.261 8.723 1.419 1.00 0.00 O ATOM 443 CB GLU A 31 -6.242 5.530 1.248 1.00 0.00 C ATOM 444 CG GLU A 31 -7.025 6.365 0.232 1.00 0.00 C ATOM 445 CD GLU A 31 -8.104 5.524 -0.454 1.00 0.00 C ATOM 446 OE1 GLU A 31 -7.793 4.358 -0.778 1.00 0.00 O ATOM 447 OE2 GLU A 31 -9.215 6.067 -0.639 1.00 0.00 O ATOM 0 H GLU A 31 -5.566 5.017 3.578 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.313 6.398 1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.698 4.739 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.934 5.044 1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.486 7.216 0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.342 6.768 -0.516 1.00 0.00 H new ATOM 454 N PRO A 32 -6.765 8.054 3.015 1.00 0.00 N ATOM 455 CA PRO A 32 -7.337 9.376 3.204 1.00 0.00 C ATOM 456 C PRO A 32 -6.392 10.273 4.006 1.00 0.00 C ATOM 457 O PRO A 32 -6.581 11.487 4.062 1.00 0.00 O ATOM 458 CB PRO A 32 -8.664 9.134 3.904 1.00 0.00 C ATOM 459 CG PRO A 32 -8.575 7.737 4.496 1.00 0.00 C ATOM 460 CD PRO A 32 -7.381 7.039 3.865 1.00 0.00 C ATOM 0 HA PRO A 32 -7.489 9.907 2.264 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.836 9.878 4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.495 9.209 3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.459 7.788 5.579 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.491 7.180 4.299 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.685 6.682 4.624 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.692 6.171 3.284 1.00 0.00 H new ATOM 468 N GLN A 33 -5.396 9.639 4.608 1.00 0.00 N ATOM 469 CA GLN A 33 -4.421 10.364 5.405 1.00 0.00 C ATOM 470 C GLN A 33 -3.502 11.187 4.500 1.00 0.00 C ATOM 471 O GLN A 33 -2.983 12.223 4.913 1.00 0.00 O ATOM 472 CB GLN A 33 -3.613 9.409 6.286 1.00 0.00 C ATOM 473 CG GLN A 33 -4.052 9.507 7.748 1.00 0.00 C ATOM 474 CD GLN A 33 -2.909 9.122 8.690 1.00 0.00 C ATOM 475 OE1 GLN A 33 -2.169 8.106 8.255 1.00 0.00 O flip ATOM 476 NE2 GLN A 33 -2.713 9.708 9.742 1.00 0.00 N flip ATOM 0 H GLN A 33 -5.243 8.632 4.560 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.956 11.048 6.064 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.741 8.386 5.932 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.552 9.644 6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.381 10.523 7.965 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.906 8.852 7.920 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.320 10.481 10.016 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.942 9.425 10.347 1.00 0.00 H new ATOM 485 N VAL A 34 -3.328 10.694 3.283 1.00 0.00 N ATOM 486 CA VAL A 34 -2.480 11.371 2.316 1.00 0.00 C ATOM 487 C VAL A 34 -3.346 12.255 1.416 1.00 0.00 C ATOM 488 O VAL A 34 -2.968 13.382 1.098 1.00 0.00 O ATOM 489 CB VAL A 34 -1.658 10.345 1.533 1.00 0.00 C ATOM 490 CG1 VAL A 34 -1.457 9.066 2.349 1.00 0.00 C ATOM 491 CG2 VAL A 34 -2.307 10.037 0.182 1.00 0.00 C ATOM 0 H VAL A 34 -3.759 9.834 2.944 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.767 12.022 2.822 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.676 10.778 1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.870 8.353 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.931 9.303 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.427 8.629 2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.702 9.305 -0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.307 9.634 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.375 10.952 -0.406 1.00 0.00 H new ATOM 501 N VAL A 35 -4.490 11.711 1.029 1.00 0.00 N ATOM 502 CA VAL A 35 -5.412 12.437 0.172 1.00 0.00 C ATOM 503 C VAL A 35 -5.897 13.693 0.899 1.00 0.00 C ATOM 504 O VAL A 35 -6.131 14.725 0.273 1.00 0.00 O ATOM 505 CB VAL A 35 -6.557 11.518 -0.261 1.00 0.00 C ATOM 506 CG1 VAL A 35 -7.543 12.261 -1.165 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.020 10.262 -0.951 1.00 0.00 C ATOM 0 H VAL A 35 -4.800 10.776 1.293 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.910 12.762 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.094 11.205 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.347 11.586 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.962 13.111 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.024 12.616 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.854 9.626 -1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.448 10.548 -1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.375 9.716 -0.262 1.00 0.00 H new ATOM 517 N GLY A 36 -6.032 13.564 2.211 1.00 0.00 N ATOM 518 CA GLY A 36 -6.484 14.676 3.029 1.00 0.00 C ATOM 519 C GLY A 36 -5.307 15.347 3.740 1.00 0.00 C ATOM 520 O GLY A 36 -5.490 16.009 4.761 1.00 0.00 O ATOM 0 H GLY A 36 -5.836 12.706 2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.000 15.405 2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.204 14.321 3.766 1.00 0.00 H new ATOM 524 N PHE A 37 -4.126 15.153 3.173 1.00 0.00 N ATOM 525 CA PHE A 37 -2.919 15.731 3.740 1.00 0.00 C ATOM 526 C PHE A 37 -2.797 17.212 3.374 1.00 0.00 C ATOM 527 O PHE A 37 -3.570 17.721 2.564 1.00 0.00 O ATOM 528 CB PHE A 37 -1.735 14.971 3.141 1.00 0.00 C ATOM 529 CG PHE A 37 -0.368 15.529 3.545 1.00 0.00 C ATOM 530 CD1 PHE A 37 0.031 15.474 4.844 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.446 16.079 2.605 1.00 0.00 C ATOM 532 CE1 PHE A 37 1.299 15.992 5.219 1.00 0.00 C ATOM 533 CE2 PHE A 37 1.714 16.598 2.980 1.00 0.00 C ATOM 534 CZ PHE A 37 2.114 16.543 4.279 1.00 0.00 C ATOM 0 H PHE A 37 -3.979 14.603 2.326 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.944 15.653 4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.795 13.927 3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.817 14.990 2.054 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.616 15.037 5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.129 16.121 1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.616 15.949 6.250 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.360 17.036 2.234 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.078 16.937 4.564 1.00 0.00 H new ATOM 544 N SER A 38 -1.819 17.861 3.987 1.00 0.00 N ATOM 545 CA SER A 38 -1.585 19.273 3.736 1.00 0.00 C ATOM 546 C SER A 38 -0.242 19.696 4.335 1.00 0.00 C ATOM 547 O SER A 38 -0.168 20.062 5.507 1.00 0.00 O ATOM 548 CB SER A 38 -2.715 20.130 4.311 1.00 0.00 C ATOM 549 OG SER A 38 -2.921 21.319 3.553 1.00 0.00 O ATOM 0 H SER A 38 -1.179 17.435 4.657 1.00 0.00 H new ATOM 0 HA SER A 38 -1.560 19.428 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.637 19.549 4.331 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.481 20.393 5.343 1.00 0.00 H new ATOM 0 HG SER A 38 -3.651 21.838 3.950 1.00 0.00 H new ATOM 555 N GLY A 39 0.788 19.631 3.503 1.00 0.00 N ATOM 556 CA GLY A 39 2.124 20.003 3.936 1.00 0.00 C ATOM 557 C GLY A 39 3.050 20.213 2.736 1.00 0.00 C ATOM 558 O GLY A 39 2.669 20.853 1.758 1.00 0.00 O ATOM 0 H GLY A 39 0.724 19.326 2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.077 20.917 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.531 19.225 4.582 1.00 0.00 H new ATOM 562 N LEU A 40 4.249 19.661 2.851 1.00 0.00 N ATOM 563 CA LEU A 40 5.233 19.780 1.788 1.00 0.00 C ATOM 564 C LEU A 40 5.964 18.446 1.624 1.00 0.00 C ATOM 565 O LEU A 40 6.135 17.705 2.591 1.00 0.00 O ATOM 566 CB LEU A 40 6.165 20.965 2.051 1.00 0.00 C ATOM 567 CG LEU A 40 5.679 22.325 1.548 1.00 0.00 C ATOM 568 CD1 LEU A 40 6.359 23.466 2.308 1.00 0.00 C ATOM 569 CD2 LEU A 40 5.870 22.451 0.035 1.00 0.00 C ATOM 0 H LEU A 40 4.561 19.130 3.664 1.00 0.00 H new ATOM 0 HA LEU A 40 4.744 19.994 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.335 21.037 3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.129 20.753 1.589 1.00 0.00 H new ATOM 0 HG LEU A 40 4.609 22.399 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.996 24.422 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.129 23.384 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.438 23.406 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.516 23.427 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.927 22.346 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.303 21.669 -0.470 1.00 0.00 H new ATOM 581 N SER A 41 6.377 18.181 0.393 1.00 0.00 N ATOM 582 CA SER A 41 7.086 16.950 0.090 1.00 0.00 C ATOM 583 C SER A 41 8.338 16.839 0.963 1.00 0.00 C ATOM 584 O SER A 41 9.321 17.542 0.735 1.00 0.00 O ATOM 585 CB SER A 41 7.463 16.882 -1.391 1.00 0.00 C ATOM 586 OG SER A 41 8.758 17.423 -1.638 1.00 0.00 O ATOM 0 H SER A 41 6.234 18.798 -0.406 1.00 0.00 H new ATOM 0 HA SER A 41 6.424 16.111 0.307 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.434 15.845 -1.725 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.724 17.427 -1.978 1.00 0.00 H new ATOM 0 HG SER A 41 8.995 18.046 -0.920 1.00 0.00 H new ATOM 652 N TYR A 46 4.857 14.691 6.425 1.00 0.00 N ATOM 653 CA TYR A 46 4.794 13.933 5.187 1.00 0.00 C ATOM 654 C TYR A 46 5.632 12.657 5.283 1.00 0.00 C ATOM 655 O TYR A 46 5.221 11.603 4.799 1.00 0.00 O ATOM 656 CB TYR A 46 5.389 14.840 4.107 1.00 0.00 C ATOM 657 CG TYR A 46 5.540 14.165 2.743 1.00 0.00 C ATOM 658 CD1 TYR A 46 6.517 13.209 2.550 1.00 0.00 C ATOM 659 CD2 TYR A 46 4.701 14.512 1.704 1.00 0.00 C ATOM 660 CE1 TYR A 46 6.659 12.574 1.266 1.00 0.00 C ATOM 661 CE2 TYR A 46 4.843 13.877 0.419 1.00 0.00 C ATOM 662 CZ TYR A 46 5.816 12.939 0.264 1.00 0.00 C ATOM 663 OH TYR A 46 5.950 12.340 -0.949 1.00 0.00 O ATOM 0 HA TYR A 46 3.767 13.640 4.968 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.756 15.721 3.997 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.367 15.189 4.438 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.175 12.938 3.362 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.937 15.260 1.854 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.419 11.824 1.102 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.192 14.139 -0.402 1.00 0.00 H new ATOM 0 HH TYR A 46 6.309 11.436 -0.830 1.00 0.00 H new ATOM 673 N LYS A 47 6.791 12.793 5.909 1.00 0.00 N ATOM 674 CA LYS A 47 7.690 11.664 6.075 1.00 0.00 C ATOM 675 C LYS A 47 6.922 10.491 6.687 1.00 0.00 C ATOM 676 O LYS A 47 6.970 9.375 6.171 1.00 0.00 O ATOM 677 CB LYS A 47 8.926 12.075 6.877 1.00 0.00 C ATOM 678 CG LYS A 47 9.773 13.085 6.100 1.00 0.00 C ATOM 679 CD LYS A 47 10.496 12.411 4.932 1.00 0.00 C ATOM 680 CE LYS A 47 12.012 12.579 5.055 1.00 0.00 C ATOM 681 NZ LYS A 47 12.713 11.460 4.386 1.00 0.00 N ATOM 0 H LYS A 47 7.129 13.669 6.308 1.00 0.00 H new ATOM 0 HA LYS A 47 8.064 11.330 5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.619 12.509 7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.525 11.193 7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.136 13.886 5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.502 13.544 6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.245 11.351 4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.154 12.841 3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.316 13.526 4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.296 12.617 6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.741 11.589 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.436 10.561 4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.456 11.442 3.378 1.00 0.00 H new ATOM 695 N ARG A 48 6.231 10.784 7.779 1.00 0.00 N ATOM 696 CA ARG A 48 5.454 9.767 8.468 1.00 0.00 C ATOM 697 C ARG A 48 4.549 9.030 7.478 1.00 0.00 C ATOM 698 O ARG A 48 4.661 7.816 7.316 1.00 0.00 O ATOM 699 CB ARG A 48 4.593 10.386 9.571 1.00 0.00 C ATOM 700 CG ARG A 48 4.360 9.389 10.708 1.00 0.00 C ATOM 701 CD ARG A 48 5.638 9.177 11.522 1.00 0.00 C ATOM 702 NE ARG A 48 5.926 7.730 11.645 1.00 0.00 N ATOM 703 CZ ARG A 48 6.739 7.202 12.570 1.00 0.00 C ATOM 704 NH1 ARG A 48 7.350 7.998 13.458 1.00 0.00 N ATOM 705 NH2 ARG A 48 6.941 5.878 12.607 1.00 0.00 N ATOM 0 H ARG A 48 6.193 11.711 8.204 1.00 0.00 H new ATOM 0 HA ARG A 48 6.154 9.064 8.920 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.081 11.280 9.960 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.635 10.701 9.156 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.566 9.754 11.359 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.023 8.437 10.298 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.474 9.683 11.040 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.526 9.619 12.512 1.00 0.00 H new ATOM 0 HE ARG A 48 5.478 7.095 10.984 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.196 9.006 13.430 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.969 7.596 14.162 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.476 5.272 11.931 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.560 5.476 13.311 1.00 0.00 H new ATOM 719 N LEU A 49 3.674 9.795 6.842 1.00 0.00 N ATOM 720 CA LEU A 49 2.751 9.229 5.873 1.00 0.00 C ATOM 721 C LEU A 49 3.520 8.318 4.915 1.00 0.00 C ATOM 722 O LEU A 49 3.283 7.111 4.876 1.00 0.00 O ATOM 723 CB LEU A 49 1.966 10.339 5.170 1.00 0.00 C ATOM 724 CG LEU A 49 1.175 11.281 6.079 1.00 0.00 C ATOM 725 CD1 LEU A 49 0.416 12.325 5.259 1.00 0.00 C ATOM 726 CD2 LEU A 49 0.248 10.496 7.009 1.00 0.00 C ATOM 0 H LEU A 49 3.585 10.802 6.979 1.00 0.00 H new ATOM 0 HA LEU A 49 2.006 8.610 6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.665 10.935 4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.272 9.877 4.467 1.00 0.00 H new ATOM 0 HG LEU A 49 1.882 11.820 6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.138 12.982 5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.124 12.915 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.279 11.824 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.303 11.190 7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.455 9.913 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.840 9.825 7.632 1.00 0.00 H new ATOM 738 N GLU A 50 4.424 8.929 4.164 1.00 0.00 N ATOM 739 CA GLU A 50 5.229 8.188 3.209 1.00 0.00 C ATOM 740 C GLU A 50 5.811 6.934 3.865 1.00 0.00 C ATOM 741 O GLU A 50 5.799 5.856 3.272 1.00 0.00 O ATOM 742 CB GLU A 50 6.338 9.067 2.627 1.00 0.00 C ATOM 743 CG GLU A 50 7.410 8.216 1.943 1.00 0.00 C ATOM 744 CD GLU A 50 7.990 8.939 0.726 1.00 0.00 C ATOM 745 OE1 GLU A 50 7.178 9.497 -0.043 1.00 0.00 O ATOM 746 OE2 GLU A 50 9.233 8.918 0.592 1.00 0.00 O ATOM 0 H GLU A 50 4.617 9.930 4.198 1.00 0.00 H new ATOM 0 HA GLU A 50 4.586 7.878 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.912 9.768 1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.791 9.660 3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.208 7.991 2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.980 7.263 1.634 1.00 0.00 H new ATOM 753 N ARG A 51 6.306 7.116 5.080 1.00 0.00 N ATOM 754 CA ARG A 51 6.891 6.012 5.823 1.00 0.00 C ATOM 755 C ARG A 51 5.931 4.821 5.848 1.00 0.00 C ATOM 756 O ARG A 51 6.277 3.730 5.398 1.00 0.00 O ATOM 757 CB ARG A 51 7.216 6.427 7.260 1.00 0.00 C ATOM 758 CG ARG A 51 8.723 6.366 7.520 1.00 0.00 C ATOM 759 CD ARG A 51 9.238 7.699 8.066 1.00 0.00 C ATOM 760 NE ARG A 51 10.414 7.469 8.935 1.00 0.00 N ATOM 761 CZ ARG A 51 11.233 8.440 9.363 1.00 0.00 C ATOM 762 NH1 ARG A 51 11.010 9.711 9.005 1.00 0.00 N ATOM 763 NH2 ARG A 51 12.275 8.138 10.150 1.00 0.00 N ATOM 0 H ARG A 51 6.314 8.011 5.569 1.00 0.00 H new ATOM 0 HA ARG A 51 7.815 5.727 5.321 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.853 7.438 7.441 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.696 5.771 7.958 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.941 5.569 8.231 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.246 6.121 6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.508 8.359 7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.451 8.199 8.630 1.00 0.00 H new ATOM 0 HE ARG A 51 10.614 6.512 9.226 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.217 9.941 8.406 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.633 10.450 9.331 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.444 7.170 10.423 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.899 8.876 10.476 1.00 0.00 H new ATOM 777 N ILE A 52 4.743 5.071 6.379 1.00 0.00 N ATOM 778 CA ILE A 52 3.730 4.033 6.469 1.00 0.00 C ATOM 779 C ILE A 52 3.608 3.327 5.117 1.00 0.00 C ATOM 780 O ILE A 52 3.493 2.103 5.060 1.00 0.00 O ATOM 781 CB ILE A 52 2.410 4.614 6.980 1.00 0.00 C ATOM 782 CG1 ILE A 52 2.551 5.109 8.421 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.271 3.604 6.829 1.00 0.00 C ATOM 784 CD1 ILE A 52 2.296 6.615 8.511 1.00 0.00 C ATOM 0 H ILE A 52 4.459 5.977 6.751 1.00 0.00 H new ATOM 0 HA ILE A 52 4.023 3.278 7.199 1.00 0.00 H new ATOM 0 HB ILE A 52 2.156 5.478 6.366 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.847 4.578 9.062 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.551 4.883 8.791 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.344 4.042 7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.153 3.343 5.777 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.502 2.706 7.402 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.403 6.941 9.546 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.017 7.144 7.888 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.286 6.834 8.164 1.00 0.00 H new ATOM 796 N LEU A 53 3.638 4.128 4.062 1.00 0.00 N ATOM 797 CA LEU A 53 3.533 3.595 2.715 1.00 0.00 C ATOM 798 C LEU A 53 4.799 2.803 2.383 1.00 0.00 C ATOM 799 O LEU A 53 4.726 1.624 2.041 1.00 0.00 O ATOM 800 CB LEU A 53 3.229 4.716 1.718 1.00 0.00 C ATOM 801 CG LEU A 53 1.771 5.173 1.646 1.00 0.00 C ATOM 802 CD1 LEU A 53 1.659 6.545 0.977 1.00 0.00 C ATOM 803 CD2 LEU A 53 0.901 4.124 0.953 1.00 0.00 C ATOM 0 H LEU A 53 3.734 5.142 4.113 1.00 0.00 H new ATOM 0 HA LEU A 53 2.696 2.901 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.847 5.578 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.535 4.385 0.725 1.00 0.00 H new ATOM 0 HG LEU A 53 1.396 5.280 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.612 6.847 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.227 7.277 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.058 6.490 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.131 4.474 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.266 3.961 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.946 3.188 1.510 1.00 0.00 H new ATOM 815 N THR A 54 5.930 3.483 2.497 1.00 0.00 N ATOM 816 CA THR A 54 7.211 2.858 2.214 1.00 0.00 C ATOM 817 C THR A 54 7.359 1.560 3.010 1.00 0.00 C ATOM 818 O THR A 54 7.836 0.556 2.485 1.00 0.00 O ATOM 819 CB THR A 54 8.311 3.880 2.507 1.00 0.00 C ATOM 820 OG1 THR A 54 9.294 3.629 1.506 1.00 0.00 O ATOM 821 CG2 THR A 54 9.038 3.596 3.823 1.00 0.00 C ATOM 0 H THR A 54 5.986 4.461 2.782 1.00 0.00 H new ATOM 0 HA THR A 54 7.287 2.569 1.166 1.00 0.00 H new ATOM 0 HB THR A 54 7.878 4.880 2.540 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.044 4.250 1.621 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.808 4.350 3.983 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.325 3.625 4.647 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.500 2.610 3.778 1.00 0.00 H new ATOM 829 N LYS A 55 6.940 1.624 4.266 1.00 0.00 N ATOM 830 CA LYS A 55 7.020 0.466 5.140 1.00 0.00 C ATOM 831 C LYS A 55 6.078 -0.624 4.624 1.00 0.00 C ATOM 832 O LYS A 55 6.523 -1.706 4.247 1.00 0.00 O ATOM 833 CB LYS A 55 6.754 0.872 6.592 1.00 0.00 C ATOM 834 CG LYS A 55 7.951 0.535 7.483 1.00 0.00 C ATOM 835 CD LYS A 55 8.838 1.763 7.698 1.00 0.00 C ATOM 836 CE LYS A 55 9.254 1.890 9.165 1.00 0.00 C ATOM 837 NZ LYS A 55 10.672 1.502 9.337 1.00 0.00 N ATOM 0 H LYS A 55 6.545 2.459 4.698 1.00 0.00 H new ATOM 0 HA LYS A 55 8.027 0.049 5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.548 1.941 6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.866 0.358 6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.599 0.163 8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.535 -0.264 7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.726 1.689 7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.303 2.661 7.389 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.108 2.916 9.503 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.620 1.257 9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.938 1.594 10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.801 0.516 9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.274 2.123 8.760 1.00 0.00 H new ATOM 851 N GLN A 56 4.793 -0.299 4.624 1.00 0.00 N ATOM 852 CA GLN A 56 3.785 -1.237 4.160 1.00 0.00 C ATOM 853 C GLN A 56 4.219 -1.872 2.838 1.00 0.00 C ATOM 854 O GLN A 56 4.106 -3.084 2.661 1.00 0.00 O ATOM 855 CB GLN A 56 2.424 -0.553 4.019 1.00 0.00 C ATOM 856 CG GLN A 56 1.783 -0.318 5.389 1.00 0.00 C ATOM 857 CD GLN A 56 1.749 -1.611 6.206 1.00 0.00 C ATOM 858 OE1 GLN A 56 0.910 -2.528 5.733 1.00 0.00 O flip ATOM 859 NE2 GLN A 56 2.438 -1.766 7.201 1.00 0.00 N flip ATOM 0 H GLN A 56 4.427 0.600 4.938 1.00 0.00 H new ATOM 0 HA GLN A 56 3.683 -2.028 4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.543 0.399 3.501 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.765 -1.169 3.406 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.343 0.444 5.931 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.770 0.062 5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.062 -1.021 7.510 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.390 -2.641 7.723 1.00 0.00 H new ATOM 868 N LEU A 57 4.706 -1.025 1.943 1.00 0.00 N ATOM 869 CA LEU A 57 5.158 -1.489 0.642 1.00 0.00 C ATOM 870 C LEU A 57 6.193 -2.599 0.832 1.00 0.00 C ATOM 871 O LEU A 57 6.021 -3.706 0.325 1.00 0.00 O ATOM 872 CB LEU A 57 5.662 -0.315 -0.200 1.00 0.00 C ATOM 873 CG LEU A 57 6.401 -0.682 -1.488 1.00 0.00 C ATOM 874 CD1 LEU A 57 7.857 -1.052 -1.199 1.00 0.00 C ATOM 875 CD2 LEU A 57 5.667 -1.791 -2.244 1.00 0.00 C ATOM 0 H LEU A 57 4.797 -0.020 2.093 1.00 0.00 H new ATOM 0 HA LEU A 57 4.328 -1.920 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.809 0.312 -0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.327 0.290 0.417 1.00 0.00 H new ATOM 0 HG LEU A 57 6.415 0.195 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.359 -1.309 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.363 -0.205 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.888 -1.907 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.213 -2.033 -3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.601 -2.678 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.663 -1.453 -2.501 1.00 0.00 H new ATOM 887 N PHE A 58 7.245 -2.264 1.564 1.00 0.00 N ATOM 888 CA PHE A 58 8.309 -3.218 1.827 1.00 0.00 C ATOM 889 C PHE A 58 7.738 -4.561 2.287 1.00 0.00 C ATOM 890 O PHE A 58 8.356 -5.605 2.081 1.00 0.00 O ATOM 891 CB PHE A 58 9.169 -2.632 2.949 1.00 0.00 C ATOM 892 CG PHE A 58 10.656 -2.973 2.836 1.00 0.00 C ATOM 893 CD1 PHE A 58 11.060 -4.271 2.864 1.00 0.00 C ATOM 894 CD2 PHE A 58 11.574 -1.978 2.707 1.00 0.00 C ATOM 895 CE1 PHE A 58 12.440 -4.588 2.759 1.00 0.00 C ATOM 896 CE2 PHE A 58 12.954 -2.294 2.602 1.00 0.00 C ATOM 897 CZ PHE A 58 13.358 -3.593 2.630 1.00 0.00 C ATOM 0 H PHE A 58 7.383 -1.345 1.984 1.00 0.00 H new ATOM 0 HA PHE A 58 8.887 -3.390 0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.055 -1.548 2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.795 -2.995 3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.331 -5.061 2.966 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.253 -0.947 2.684 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.761 -5.619 2.782 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.683 -1.504 2.500 1.00 0.00 H new ATOM 0 HZ PHE A 58 14.408 -3.834 2.550 1.00 0.00 H new ATOM 907 N GLU A 59 6.566 -4.491 2.900 1.00 0.00 N ATOM 908 CA GLU A 59 5.905 -5.689 3.391 1.00 0.00 C ATOM 909 C GLU A 59 5.214 -6.423 2.240 1.00 0.00 C ATOM 910 O GLU A 59 5.100 -7.648 2.260 1.00 0.00 O ATOM 911 CB GLU A 59 4.909 -5.349 4.502 1.00 0.00 C ATOM 912 CG GLU A 59 5.545 -5.527 5.882 1.00 0.00 C ATOM 913 CD GLU A 59 5.409 -6.972 6.366 1.00 0.00 C ATOM 914 OE1 GLU A 59 4.254 -7.381 6.616 1.00 0.00 O ATOM 915 OE2 GLU A 59 6.463 -7.635 6.477 1.00 0.00 O ATOM 0 H GLU A 59 6.057 -3.623 3.068 1.00 0.00 H new ATOM 0 HA GLU A 59 6.661 -6.350 3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.566 -4.321 4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.031 -5.990 4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.599 -5.252 5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.069 -4.854 6.595 1.00 0.00 H new ATOM 922 N ILE A 60 4.771 -5.644 1.265 1.00 0.00 N ATOM 923 CA ILE A 60 4.095 -6.205 0.107 1.00 0.00 C ATOM 924 C ILE A 60 5.055 -7.132 -0.640 1.00 0.00 C ATOM 925 O ILE A 60 4.663 -8.208 -1.088 1.00 0.00 O ATOM 926 CB ILE A 60 3.511 -5.091 -0.764 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.540 -4.221 0.035 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.863 -5.665 -2.026 1.00 0.00 C ATOM 929 CD1 ILE A 60 2.014 -3.062 -0.815 1.00 0.00 C ATOM 0 H ILE A 60 4.867 -4.629 1.253 1.00 0.00 H new ATOM 0 HA ILE A 60 3.245 -6.812 0.419 1.00 0.00 H new ATOM 0 HB ILE A 60 4.328 -4.446 -1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.705 -4.828 0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.041 -3.829 0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.456 -4.852 -2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.611 -6.206 -2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.060 -6.346 -1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.326 -2.459 -0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.849 -2.443 -1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.492 -3.457 -1.686 1.00 0.00 H new ATOM 941 N ASP A 61 6.296 -6.679 -0.752 1.00 0.00 N ATOM 942 CA ASP A 61 7.316 -7.455 -1.438 1.00 0.00 C ATOM 943 C ASP A 61 7.704 -8.656 -0.574 1.00 0.00 C ATOM 944 O ASP A 61 8.168 -9.672 -1.089 1.00 0.00 O ATOM 945 CB ASP A 61 8.574 -6.619 -1.678 1.00 0.00 C ATOM 946 CG ASP A 61 9.441 -7.078 -2.853 1.00 0.00 C ATOM 947 OD1 ASP A 61 8.853 -7.616 -3.815 1.00 0.00 O ATOM 948 OD2 ASP A 61 10.672 -6.879 -2.762 1.00 0.00 O ATOM 0 H ASP A 61 6.618 -5.786 -0.380 1.00 0.00 H new ATOM 0 HA ASP A 61 6.908 -7.777 -2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.277 -5.584 -1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.180 -6.633 -0.772 1.00 0.00 H new ATOM 953 N SER A 62 7.500 -8.500 0.726 1.00 0.00 N ATOM 954 CA SER A 62 7.822 -9.560 1.666 1.00 0.00 C ATOM 955 C SER A 62 6.784 -10.680 1.570 1.00 0.00 C ATOM 956 O SER A 62 7.016 -11.788 2.049 1.00 0.00 O ATOM 957 CB SER A 62 7.893 -9.023 3.098 1.00 0.00 C ATOM 958 OG SER A 62 9.233 -8.761 3.504 1.00 0.00 O ATOM 0 H SER A 62 7.116 -7.656 1.150 1.00 0.00 H new ATOM 0 HA SER A 62 8.802 -9.960 1.407 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.306 -8.107 3.171 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.443 -9.745 3.779 1.00 0.00 H new ATOM 0 HG SER A 62 9.236 -8.418 4.422 1.00 0.00 H new ATOM 964 N VAL A 63 5.662 -10.351 0.947 1.00 0.00 N ATOM 965 CA VAL A 63 4.588 -11.315 0.781 1.00 0.00 C ATOM 966 C VAL A 63 4.929 -12.259 -0.374 1.00 0.00 C ATOM 967 O VAL A 63 5.050 -11.826 -1.519 1.00 0.00 O ATOM 968 CB VAL A 63 3.257 -10.586 0.584 1.00 0.00 C ATOM 969 CG1 VAL A 63 2.222 -11.503 -0.071 1.00 0.00 C ATOM 970 CG2 VAL A 63 2.735 -10.030 1.911 1.00 0.00 C ATOM 0 H VAL A 63 5.473 -9.430 0.551 1.00 0.00 H new ATOM 0 HA VAL A 63 4.480 -11.925 1.678 1.00 0.00 H new ATOM 0 HB VAL A 63 3.431 -9.745 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.285 -10.961 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.589 -11.829 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.053 -12.373 0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.788 -9.517 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.584 -10.849 2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.460 -9.328 2.322 1.00 0.00 H new ATOM 980 N ASP A 64 5.075 -13.531 -0.033 1.00 0.00 N ATOM 981 CA ASP A 64 5.400 -14.539 -1.027 1.00 0.00 C ATOM 982 C ASP A 64 4.134 -14.912 -1.802 1.00 0.00 C ATOM 983 O ASP A 64 3.022 -14.665 -1.337 1.00 0.00 O ATOM 984 CB ASP A 64 5.941 -15.809 -0.367 1.00 0.00 C ATOM 985 CG ASP A 64 6.696 -16.754 -1.304 1.00 0.00 C ATOM 986 OD1 ASP A 64 7.920 -16.550 -1.450 1.00 0.00 O ATOM 987 OD2 ASP A 64 6.031 -17.659 -1.854 1.00 0.00 O ATOM 0 H ASP A 64 4.974 -13.886 0.918 1.00 0.00 H new ATOM 0 HA ASP A 64 6.159 -14.125 -1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.606 -15.522 0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.107 -16.352 0.078 1.00 0.00 H new ATOM 992 N THR A 65 4.345 -15.501 -2.970 1.00 0.00 N ATOM 993 CA THR A 65 3.235 -15.910 -3.813 1.00 0.00 C ATOM 994 C THR A 65 3.306 -17.412 -4.096 1.00 0.00 C ATOM 995 O THR A 65 2.334 -18.134 -3.881 1.00 0.00 O ATOM 996 CB THR A 65 3.261 -15.051 -5.079 1.00 0.00 C ATOM 997 OG1 THR A 65 4.453 -15.455 -5.748 1.00 0.00 O ATOM 998 CG2 THR A 65 3.489 -13.568 -4.776 1.00 0.00 C ATOM 0 H THR A 65 5.268 -15.705 -3.352 1.00 0.00 H new ATOM 0 HA THR A 65 2.279 -15.750 -3.314 1.00 0.00 H new ATOM 0 HB THR A 65 2.322 -15.171 -5.618 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.548 -14.949 -6.582 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.499 -13.003 -5.708 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.686 -13.200 -4.137 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.444 -13.443 -4.266 1.00 0.00 H new ATOM 1006 N GLU A 66 4.466 -17.837 -4.576 1.00 0.00 N ATOM 1007 CA GLU A 66 4.676 -19.240 -4.891 1.00 0.00 C ATOM 1008 C GLU A 66 3.847 -19.639 -6.112 1.00 0.00 C ATOM 1009 O GLU A 66 3.487 -20.805 -6.268 1.00 0.00 O ATOM 1010 CB GLU A 66 4.346 -20.127 -3.689 1.00 0.00 C ATOM 1011 CG GLU A 66 5.452 -21.156 -3.447 1.00 0.00 C ATOM 1012 CD GLU A 66 4.863 -22.508 -3.039 1.00 0.00 C ATOM 1013 OE1 GLU A 66 4.162 -23.102 -3.888 1.00 0.00 O ATOM 1014 OE2 GLU A 66 5.126 -22.918 -1.888 1.00 0.00 O ATOM 0 H GLU A 66 5.270 -17.235 -4.754 1.00 0.00 H new ATOM 0 HA GLU A 66 5.730 -19.386 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.219 -19.509 -2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.399 -20.639 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.049 -21.273 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.123 -20.797 -2.667 1.00 0.00 H new ATOM 1021 N GLY A 67 3.567 -18.650 -6.948 1.00 0.00 N ATOM 1022 CA GLY A 67 2.786 -18.884 -8.151 1.00 0.00 C ATOM 1023 C GLY A 67 1.303 -19.052 -7.817 1.00 0.00 C ATOM 1024 O GLY A 67 0.696 -20.065 -8.162 1.00 0.00 O ATOM 0 H GLY A 67 3.867 -17.684 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.915 -18.050 -8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.152 -19.777 -8.658 1.00 0.00 H new ATOM 1028 N LYS A 68 0.761 -18.043 -7.151 1.00 0.00 N ATOM 1029 CA LYS A 68 -0.641 -18.066 -6.767 1.00 0.00 C ATOM 1030 C LYS A 68 -1.302 -16.752 -7.186 1.00 0.00 C ATOM 1031 O LYS A 68 -1.295 -15.781 -6.430 1.00 0.00 O ATOM 1032 CB LYS A 68 -0.783 -18.378 -5.276 1.00 0.00 C ATOM 1033 CG LYS A 68 -0.089 -19.695 -4.922 1.00 0.00 C ATOM 1034 CD LYS A 68 -0.312 -20.056 -3.452 1.00 0.00 C ATOM 1035 CE LYS A 68 0.505 -21.288 -3.060 1.00 0.00 C ATOM 1036 NZ LYS A 68 -0.358 -22.490 -3.015 1.00 0.00 N ATOM 0 H LYS A 68 1.267 -17.204 -6.867 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.165 -18.867 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.353 -17.567 -4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.839 -18.437 -5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.471 -20.494 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.979 -19.612 -5.122 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.031 -19.213 -2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.371 -20.247 -3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.312 -21.439 -3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.969 -21.129 -2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.213 -23.317 -2.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.113 -22.349 -2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.780 -22.649 -3.952 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.857 -16.763 -8.389 1.00 0.00 N ATOM 1051 CA GLY A 69 -2.521 -15.583 -8.917 1.00 0.00 C ATOM 1052 C GLY A 69 -3.334 -14.878 -7.830 1.00 0.00 C ATOM 1053 O GLY A 69 -3.104 -13.705 -7.540 1.00 0.00 O ATOM 0 H GLY A 69 -1.861 -17.570 -9.013 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.779 -14.896 -9.324 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.177 -15.868 -9.739 1.00 0.00 H new ATOM 1057 N ASP A 70 -4.268 -15.624 -7.258 1.00 0.00 N ATOM 1058 CA ASP A 70 -5.117 -15.085 -6.209 1.00 0.00 C ATOM 1059 C ASP A 70 -4.286 -14.172 -5.304 1.00 0.00 C ATOM 1060 O ASP A 70 -4.785 -13.164 -4.808 1.00 0.00 O ATOM 1061 CB ASP A 70 -5.700 -16.204 -5.343 1.00 0.00 C ATOM 1062 CG ASP A 70 -6.746 -17.079 -6.036 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -7.464 -16.530 -6.900 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -6.804 -18.278 -5.687 1.00 0.00 O ATOM 0 H ASP A 70 -4.455 -16.597 -7.501 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.930 -14.534 -6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.884 -16.841 -5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.150 -15.759 -4.456 1.00 0.00 H new ATOM 1069 N ILE A 71 -3.033 -14.559 -5.119 1.00 0.00 N ATOM 1070 CA ILE A 71 -2.127 -13.788 -4.283 1.00 0.00 C ATOM 1071 C ILE A 71 -1.330 -12.821 -5.160 1.00 0.00 C ATOM 1072 O ILE A 71 -1.356 -11.611 -4.938 1.00 0.00 O ATOM 1073 CB ILE A 71 -1.252 -14.719 -3.441 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -2.108 -15.596 -2.524 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -0.202 -13.926 -2.660 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -1.237 -16.569 -1.727 1.00 0.00 C ATOM 0 H ILE A 71 -2.623 -15.396 -5.533 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.687 -13.184 -3.570 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.716 -15.387 -4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.676 -14.966 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.831 -16.153 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.407 -14.611 -2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.436 -13.382 -3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.700 -13.219 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.870 -17.180 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.689 -17.213 -2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.531 -16.008 -1.115 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.641 -13.389 -6.138 1.00 0.00 N ATOM 1089 CA GLN A 72 0.163 -12.592 -7.049 1.00 0.00 C ATOM 1090 C GLN A 72 -0.610 -11.346 -7.486 1.00 0.00 C ATOM 1091 O GLN A 72 -0.051 -10.252 -7.539 1.00 0.00 O ATOM 1092 CB GLN A 72 0.601 -13.419 -8.260 1.00 0.00 C ATOM 1093 CG GLN A 72 2.121 -13.373 -8.433 1.00 0.00 C ATOM 1094 CD GLN A 72 2.508 -12.543 -9.659 1.00 0.00 C ATOM 1095 OE1 GLN A 72 1.877 -11.555 -9.996 1.00 0.00 O ATOM 1096 NE2 GLN A 72 3.578 -12.998 -10.304 1.00 0.00 N ATOM 0 H GLN A 72 -0.623 -14.392 -6.320 1.00 0.00 H new ATOM 0 HA GLN A 72 1.063 -12.272 -6.524 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.276 -14.452 -8.136 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.117 -13.038 -9.159 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.579 -12.946 -7.541 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.510 -14.386 -8.538 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.060 -13.832 -9.968 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.917 -12.513 -11.135 1.00 0.00 H new ATOM 1105 N GLN A 73 -1.883 -11.555 -7.790 1.00 0.00 N ATOM 1106 CA GLN A 73 -2.738 -10.462 -8.221 1.00 0.00 C ATOM 1107 C GLN A 73 -2.863 -9.416 -7.111 1.00 0.00 C ATOM 1108 O GLN A 73 -2.490 -8.259 -7.298 1.00 0.00 O ATOM 1109 CB GLN A 73 -4.114 -10.977 -8.646 1.00 0.00 C ATOM 1110 CG GLN A 73 -4.283 -10.900 -10.165 1.00 0.00 C ATOM 1111 CD GLN A 73 -5.697 -10.450 -10.537 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -6.035 -9.278 -10.491 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -6.501 -11.442 -10.908 1.00 0.00 N ATOM 0 H GLN A 73 -2.343 -12.465 -7.746 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.279 -9.989 -9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.239 -12.008 -8.314 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.892 -10.389 -8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.555 -10.204 -10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.080 -11.875 -10.607 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.154 -12.401 -10.924 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.465 -11.244 -11.176 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.390 -9.861 -5.980 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.569 -8.978 -4.840 1.00 0.00 C ATOM 1124 C ALA A 74 -2.260 -8.236 -4.564 1.00 0.00 C ATOM 1125 O ALA A 74 -2.225 -7.006 -4.574 1.00 0.00 O ATOM 1126 CB ALA A 74 -4.044 -9.791 -3.634 1.00 0.00 C ATOM 0 H ALA A 74 -3.699 -10.821 -5.829 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.333 -8.230 -5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.178 -9.129 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.992 -10.274 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.301 -10.550 -3.392 1.00 0.00 H new ATOM 1132 N ARG A 75 -1.215 -9.014 -4.324 1.00 0.00 N ATOM 1133 CA ARG A 75 0.093 -8.446 -4.046 1.00 0.00 C ATOM 1134 C ARG A 75 0.443 -7.383 -5.089 1.00 0.00 C ATOM 1135 O ARG A 75 0.594 -6.208 -4.757 1.00 0.00 O ATOM 1136 CB ARG A 75 1.175 -9.528 -4.049 1.00 0.00 C ATOM 1137 CG ARG A 75 2.380 -9.100 -3.208 1.00 0.00 C ATOM 1138 CD ARG A 75 3.683 -9.633 -3.807 1.00 0.00 C ATOM 1139 NE ARG A 75 4.599 -8.510 -4.107 1.00 0.00 N ATOM 1140 CZ ARG A 75 4.538 -7.768 -5.220 1.00 0.00 C ATOM 1141 NH1 ARG A 75 3.605 -8.025 -6.147 1.00 0.00 N ATOM 1142 NH2 ARG A 75 5.411 -6.769 -5.408 1.00 0.00 N ATOM 0 H ARG A 75 -1.248 -10.033 -4.316 1.00 0.00 H new ATOM 0 HA ARG A 75 0.053 -7.990 -3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.765 -10.459 -3.656 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.493 -9.726 -5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.420 -8.012 -3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.266 -9.469 -2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.157 -10.324 -3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.472 -10.194 -4.717 1.00 0.00 H new ATOM 0 HE ARG A 75 5.322 -8.287 -3.423 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.941 -8.786 -6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.559 -7.460 -6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.122 -6.574 -4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.364 -6.204 -6.256 1.00 0.00 H new ATOM 1156 N LYS A 76 0.561 -7.833 -6.330 1.00 0.00 N ATOM 1157 CA LYS A 76 0.889 -6.934 -7.424 1.00 0.00 C ATOM 1158 C LYS A 76 -0.153 -5.816 -7.490 1.00 0.00 C ATOM 1159 O LYS A 76 0.110 -4.750 -8.046 1.00 0.00 O ATOM 1160 CB LYS A 76 1.039 -7.715 -8.731 1.00 0.00 C ATOM 1161 CG LYS A 76 -0.289 -7.774 -9.489 1.00 0.00 C ATOM 1162 CD LYS A 76 -0.106 -8.414 -10.867 1.00 0.00 C ATOM 1163 CE LYS A 76 -1.325 -8.158 -11.756 1.00 0.00 C ATOM 1164 NZ LYS A 76 -1.085 -8.671 -13.123 1.00 0.00 N ATOM 0 H LYS A 76 0.435 -8.808 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 76 1.855 -6.459 -7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.798 -7.244 -9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.385 -8.726 -8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.016 -8.346 -8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.692 -6.768 -9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.787 -8.011 -11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.049 -9.487 -10.756 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.203 -8.642 -11.328 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.537 -7.090 -11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.921 -8.490 -13.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.260 -8.190 -13.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.905 -9.695 -13.083 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.313 -6.097 -6.916 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.396 -5.128 -6.903 1.00 0.00 C ATOM 1180 C ARG A 77 -2.221 -4.152 -5.739 1.00 0.00 C ATOM 1181 O ARG A 77 -2.715 -3.026 -5.788 1.00 0.00 O ATOM 1182 CB ARG A 77 -3.754 -5.822 -6.779 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.344 -6.124 -8.157 1.00 0.00 C ATOM 1184 CD ARG A 77 -5.466 -5.141 -8.501 1.00 0.00 C ATOM 1185 NE ARG A 77 -6.478 -5.806 -9.352 1.00 0.00 N ATOM 1186 CZ ARG A 77 -7.408 -5.153 -10.062 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -7.461 -3.814 -10.027 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -8.286 -5.839 -10.807 1.00 0.00 N ATOM 0 H ARG A 77 -1.527 -6.982 -6.456 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.364 -4.582 -7.846 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.642 -6.749 -6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.440 -5.188 -6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.561 -6.066 -8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.730 -7.143 -8.176 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.932 -4.774 -7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.055 -4.275 -9.019 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.467 -6.825 -9.401 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.793 -3.292 -9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.169 -3.317 -10.568 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.246 -6.858 -10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.994 -5.342 -11.348 1.00 0.00 H new ATOM 1202 N ALA A 78 -1.516 -4.618 -4.718 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.269 -3.800 -3.543 1.00 0.00 C ATOM 1204 C ALA A 78 0.029 -3.014 -3.738 1.00 0.00 C ATOM 1205 O ALA A 78 0.192 -1.929 -3.181 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.231 -4.690 -2.300 1.00 0.00 C ATOM 0 H ALA A 78 -1.108 -5.552 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.073 -3.078 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.046 -4.076 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.186 -5.203 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.434 -5.426 -2.404 1.00 0.00 H new ATOM 1212 N ALA A 79 0.921 -3.592 -4.529 1.00 0.00 N ATOM 1213 CA ALA A 79 2.199 -2.960 -4.804 1.00 0.00 C ATOM 1214 C ALA A 79 1.970 -1.697 -5.637 1.00 0.00 C ATOM 1215 O ALA A 79 2.866 -0.863 -5.766 1.00 0.00 O ATOM 1216 CB ALA A 79 3.124 -3.959 -5.502 1.00 0.00 C ATOM 0 H ALA A 79 0.783 -4.492 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 79 2.685 -2.659 -3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.083 -3.484 -5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.279 -4.824 -4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.670 -4.282 -6.439 1.00 0.00 H new ATOM 1222 N GLN A 80 0.767 -1.596 -6.181 1.00 0.00 N ATOM 1223 CA GLN A 80 0.409 -0.449 -6.998 1.00 0.00 C ATOM 1224 C GLN A 80 -0.394 0.560 -6.174 1.00 0.00 C ATOM 1225 O GLN A 80 -0.135 1.761 -6.233 1.00 0.00 O ATOM 1226 CB GLN A 80 -0.369 -0.883 -8.242 1.00 0.00 C ATOM 1227 CG GLN A 80 0.539 -1.623 -9.226 1.00 0.00 C ATOM 1228 CD GLN A 80 -0.202 -1.934 -10.528 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -0.438 -1.072 -11.359 1.00 0.00 O ATOM 1230 NE2 GLN A 80 -0.553 -3.210 -10.659 1.00 0.00 N ATOM 0 H GLN A 80 0.027 -2.290 -6.072 1.00 0.00 H new ATOM 0 HA GLN A 80 1.327 0.034 -7.334 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.198 -1.528 -7.950 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.802 -0.009 -8.728 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.419 -1.017 -9.440 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.892 -2.550 -8.774 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.324 -3.880 -9.925 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.051 -3.519 -11.494 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.352 0.035 -5.424 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.194 0.875 -4.590 1.00 0.00 C ATOM 1241 C GLU A 81 -1.332 1.750 -3.677 1.00 0.00 C ATOM 1242 O GLU A 81 -1.463 2.973 -3.679 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.174 0.030 -3.773 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.576 0.641 -3.796 1.00 0.00 C ATOM 1245 CD GLU A 81 -5.268 0.477 -2.442 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.002 1.324 -1.562 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -6.048 -0.493 -2.317 1.00 0.00 O ATOM 0 H GLU A 81 -1.564 -0.962 -5.377 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.780 1.526 -5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.208 -0.983 -4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.824 -0.046 -2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.511 1.699 -4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.172 0.163 -4.573 1.00 0.00 H new ATOM 1254 N THR A 82 -0.470 1.089 -2.918 1.00 0.00 N ATOM 1255 CA THR A 82 0.413 1.791 -2.002 1.00 0.00 C ATOM 1256 C THR A 82 1.218 2.856 -2.749 1.00 0.00 C ATOM 1257 O THR A 82 1.206 4.027 -2.372 1.00 0.00 O ATOM 1258 CB THR A 82 1.286 0.751 -1.298 1.00 0.00 C ATOM 1259 OG1 THR A 82 0.479 0.295 -0.216 1.00 0.00 O ATOM 1260 CG2 THR A 82 2.505 1.376 -0.615 1.00 0.00 C ATOM 0 H THR A 82 -0.364 0.074 -2.919 1.00 0.00 H new ATOM 0 HA THR A 82 -0.152 2.330 -1.242 1.00 0.00 H new ATOM 0 HB THR A 82 1.617 0.006 -2.021 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.450 0.206 -0.516 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.091 0.595 -0.130 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.120 1.882 -1.360 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.174 2.097 0.132 1.00 0.00 H new ATOM 1268 N GLU A 83 1.899 2.412 -3.795 1.00 0.00 N ATOM 1269 CA GLU A 83 2.709 3.312 -4.599 1.00 0.00 C ATOM 1270 C GLU A 83 1.841 4.429 -5.182 1.00 0.00 C ATOM 1271 O GLU A 83 2.339 5.510 -5.490 1.00 0.00 O ATOM 1272 CB GLU A 83 3.440 2.551 -5.706 1.00 0.00 C ATOM 1273 CG GLU A 83 4.381 1.497 -5.119 1.00 0.00 C ATOM 1274 CD GLU A 83 5.762 2.092 -4.838 1.00 0.00 C ATOM 1275 OE1 GLU A 83 6.289 2.761 -5.753 1.00 0.00 O ATOM 1276 OE2 GLU A 83 6.260 1.864 -3.714 1.00 0.00 O ATOM 0 H GLU A 83 1.907 1.440 -4.105 1.00 0.00 H new ATOM 0 HA GLU A 83 3.464 3.763 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.714 2.070 -6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.009 3.251 -6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.958 1.099 -4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.475 0.661 -5.813 1.00 0.00 H new ATOM 1283 N ARG A 84 0.557 4.129 -5.316 1.00 0.00 N ATOM 1284 CA ARG A 84 -0.385 5.094 -5.856 1.00 0.00 C ATOM 1285 C ARG A 84 -0.516 6.293 -4.914 1.00 0.00 C ATOM 1286 O ARG A 84 -0.418 7.440 -5.347 1.00 0.00 O ATOM 1287 CB ARG A 84 -1.763 4.463 -6.062 1.00 0.00 C ATOM 1288 CG ARG A 84 -2.283 4.730 -7.476 1.00 0.00 C ATOM 1289 CD ARG A 84 -3.735 4.272 -7.622 1.00 0.00 C ATOM 1290 NE ARG A 84 -4.579 5.399 -8.078 1.00 0.00 N ATOM 1291 CZ ARG A 84 -5.865 5.279 -8.434 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -6.463 4.081 -8.391 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -6.553 6.357 -8.835 1.00 0.00 N ATOM 0 H ARG A 84 0.147 3.231 -5.060 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.002 5.426 -6.821 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.704 3.388 -5.889 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.464 4.865 -5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.210 5.794 -7.699 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.659 4.208 -8.201 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.795 3.450 -8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.103 3.894 -6.668 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.155 6.325 -8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.939 3.260 -8.087 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.442 3.990 -8.662 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.098 7.269 -8.869 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.532 6.265 -9.106 1.00 0.00 H new ATOM 1307 N LEU A 85 -0.735 5.985 -3.644 1.00 0.00 N ATOM 1308 CA LEU A 85 -0.880 7.023 -2.638 1.00 0.00 C ATOM 1309 C LEU A 85 0.393 7.870 -2.597 1.00 0.00 C ATOM 1310 O LEU A 85 0.326 9.098 -2.593 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.255 6.410 -1.287 1.00 0.00 C ATOM 1312 CG LEU A 85 -2.748 6.178 -1.046 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -2.978 4.937 -0.181 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -3.408 7.423 -0.450 1.00 0.00 C ATOM 0 H LEU A 85 -0.815 5.032 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.700 7.693 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.739 5.455 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.877 7.060 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.224 5.992 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.047 4.795 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.565 4.062 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.485 5.069 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.469 7.231 -0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.935 7.666 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.292 8.261 -1.137 1.00 0.00 H new ATOM 1326 N LEU A 86 1.524 7.180 -2.568 1.00 0.00 N ATOM 1327 CA LEU A 86 2.811 7.853 -2.527 1.00 0.00 C ATOM 1328 C LEU A 86 2.821 8.986 -3.556 1.00 0.00 C ATOM 1329 O LEU A 86 3.532 9.975 -3.388 1.00 0.00 O ATOM 1330 CB LEU A 86 3.948 6.847 -2.710 1.00 0.00 C ATOM 1331 CG LEU A 86 4.729 6.480 -1.446 1.00 0.00 C ATOM 1332 CD1 LEU A 86 5.309 5.068 -1.549 1.00 0.00 C ATOM 1333 CD2 LEU A 86 5.808 7.523 -1.147 1.00 0.00 C ATOM 0 H LEU A 86 1.576 6.161 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 86 2.973 8.307 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.533 5.933 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.648 7.249 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 86 4.037 6.482 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.859 4.833 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.499 4.350 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.983 5.013 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.348 7.239 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.504 7.577 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.342 8.497 -0.999 1.00 0.00 H new ATOM 1345 N LYS A 87 2.024 8.803 -4.598 1.00 0.00 N ATOM 1346 CA LYS A 87 1.932 9.798 -5.654 1.00 0.00 C ATOM 1347 C LYS A 87 0.942 10.888 -5.237 1.00 0.00 C ATOM 1348 O LYS A 87 1.206 12.075 -5.423 1.00 0.00 O ATOM 1349 CB LYS A 87 1.589 9.133 -6.988 1.00 0.00 C ATOM 1350 CG LYS A 87 2.707 8.186 -7.432 1.00 0.00 C ATOM 1351 CD LYS A 87 3.515 8.792 -8.581 1.00 0.00 C ATOM 1352 CE LYS A 87 2.981 8.320 -9.935 1.00 0.00 C ATOM 1353 NZ LYS A 87 4.098 7.941 -10.828 1.00 0.00 N ATOM 0 H LYS A 87 1.436 7.981 -4.734 1.00 0.00 H new ATOM 0 HA LYS A 87 2.896 10.284 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.655 8.579 -6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.431 9.897 -7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.367 7.976 -6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.279 7.234 -7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.470 9.880 -8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.563 8.511 -8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.316 7.468 -9.793 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.391 9.112 -10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.719 7.623 -11.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.718 8.763 -10.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.644 7.170 -10.393 1.00 0.00 H new ATOM 1367 N GLU A 88 -0.177 10.445 -4.683 1.00 0.00 N ATOM 1368 CA GLU A 88 -1.208 11.368 -4.239 1.00 0.00 C ATOM 1369 C GLU A 88 -0.654 12.304 -3.162 1.00 0.00 C ATOM 1370 O GLU A 88 -0.945 13.499 -3.164 1.00 0.00 O ATOM 1371 CB GLU A 88 -2.437 10.613 -3.730 1.00 0.00 C ATOM 1372 CG GLU A 88 -3.439 10.372 -4.860 1.00 0.00 C ATOM 1373 CD GLU A 88 -4.420 11.539 -4.982 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -4.941 11.955 -3.925 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -4.627 11.989 -6.130 1.00 0.00 O ATOM 0 H GLU A 88 -0.392 9.460 -4.531 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.520 11.971 -5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.130 9.659 -3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.913 11.182 -2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.906 10.241 -5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.988 9.449 -4.673 1.00 0.00 H new ATOM 1382 N LEU A 89 0.133 11.725 -2.267 1.00 0.00 N ATOM 1383 CA LEU A 89 0.730 12.492 -1.187 1.00 0.00 C ATOM 1384 C LEU A 89 1.591 13.610 -1.777 1.00 0.00 C ATOM 1385 O LEU A 89 1.444 14.774 -1.407 1.00 0.00 O ATOM 1386 CB LEU A 89 1.488 11.570 -0.231 1.00 0.00 C ATOM 1387 CG LEU A 89 1.935 12.197 1.092 1.00 0.00 C ATOM 1388 CD1 LEU A 89 0.831 13.077 1.682 1.00 0.00 C ATOM 1389 CD2 LEU A 89 2.400 11.123 2.078 1.00 0.00 C ATOM 0 H LEU A 89 0.371 10.733 -2.268 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.043 12.969 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.855 10.711 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.370 11.190 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 89 2.790 12.843 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.174 13.510 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.589 13.876 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.058 12.473 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.712 11.595 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.580 10.433 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.239 10.575 1.650 1.00 0.00 H new ATOM 1401 N GLU A 90 2.473 13.218 -2.686 1.00 0.00 N ATOM 1402 CA GLU A 90 3.358 14.172 -3.330 1.00 0.00 C ATOM 1403 C GLU A 90 2.550 15.321 -3.937 1.00 0.00 C ATOM 1404 O GLU A 90 2.996 16.467 -3.935 1.00 0.00 O ATOM 1405 CB GLU A 90 4.221 13.488 -4.393 1.00 0.00 C ATOM 1406 CG GLU A 90 5.661 13.318 -3.904 1.00 0.00 C ATOM 1407 CD GLU A 90 6.656 13.505 -5.051 1.00 0.00 C ATOM 1408 OE1 GLU A 90 6.425 12.881 -6.109 1.00 0.00 O ATOM 1409 OE2 GLU A 90 7.624 14.267 -4.844 1.00 0.00 O ATOM 0 H GLU A 90 2.593 12.252 -2.991 1.00 0.00 H new ATOM 0 HA GLU A 90 4.027 14.584 -2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.799 12.513 -4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.212 14.078 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.869 14.042 -3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.786 12.327 -3.468 1.00 0.00 H new ATOM 1416 N GLN A 91 1.375 14.974 -4.441 1.00 0.00 N ATOM 1417 CA GLN A 91 0.500 15.961 -5.049 1.00 0.00 C ATOM 1418 C GLN A 91 -0.195 16.792 -3.968 1.00 0.00 C ATOM 1419 O GLN A 91 -0.043 18.012 -3.924 1.00 0.00 O ATOM 1420 CB GLN A 91 -0.524 15.294 -5.970 1.00 0.00 C ATOM 1421 CG GLN A 91 -0.249 15.639 -7.435 1.00 0.00 C ATOM 1422 CD GLN A 91 -0.489 14.427 -8.338 1.00 0.00 C ATOM 1423 OE1 GLN A 91 -1.448 14.360 -9.089 1.00 0.00 O ATOM 1424 NE2 GLN A 91 0.433 13.476 -8.223 1.00 0.00 N ATOM 0 H GLN A 91 1.008 14.022 -4.441 1.00 0.00 H new ATOM 0 HA GLN A 91 1.108 16.629 -5.659 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.491 14.213 -5.835 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -1.529 15.618 -5.698 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.893 16.462 -7.746 1.00 0.00 H new ATOM 0 HG3 GLN A 91 0.780 15.981 -7.545 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.211 13.596 -7.575 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.362 12.627 -8.783 1.00 0.00 H new ATOM 1433 N ASN A 92 -0.943 16.099 -3.123 1.00 0.00 N ATOM 1434 CA ASN A 92 -1.661 16.757 -2.045 1.00 0.00 C ATOM 1435 C ASN A 92 -0.688 17.623 -1.243 1.00 0.00 C ATOM 1436 O ASN A 92 -1.065 18.676 -0.731 1.00 0.00 O ATOM 1437 CB ASN A 92 -2.281 15.734 -1.091 1.00 0.00 C ATOM 1438 CG ASN A 92 -3.621 15.226 -1.627 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -4.664 15.831 -1.439 1.00 0.00 O ATOM 1440 ND2 ASN A 92 -3.536 14.084 -2.303 1.00 0.00 N ATOM 0 H ASN A 92 -1.068 15.087 -3.163 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.452 17.363 -2.488 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.598 14.896 -0.957 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.426 16.187 -0.110 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.376 13.663 -2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.631 13.629 -2.424 1.00 0.00 H new ATOM 1447 N ALA A 93 0.546 17.147 -1.159 1.00 0.00 N ATOM 1448 CA ALA A 93 1.577 17.864 -0.428 1.00 0.00 C ATOM 1449 C ALA A 93 1.516 19.348 -0.793 1.00 0.00 C ATOM 1450 O ALA A 93 0.979 20.156 -0.037 1.00 0.00 O ATOM 1451 CB ALA A 93 2.942 17.244 -0.730 1.00 0.00 C ATOM 0 H ALA A 93 0.855 16.273 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 93 1.413 17.782 0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.715 17.782 -0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.942 16.198 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.143 17.310 -1.799 1.00 0.00 H new ATOM 1457 N SER A 94 2.074 19.663 -1.953 1.00 0.00 N ATOM 1458 CA SER A 94 2.090 21.036 -2.429 1.00 0.00 C ATOM 1459 C SER A 94 2.800 21.113 -3.781 1.00 0.00 C ATOM 1460 O SER A 94 2.239 21.618 -4.753 1.00 0.00 O ATOM 1461 CB SER A 94 2.771 21.960 -1.418 1.00 0.00 C ATOM 1462 OG SER A 94 2.001 23.131 -1.162 1.00 0.00 O ATOM 0 H SER A 94 2.519 18.990 -2.578 1.00 0.00 H new ATOM 0 HA SER A 94 1.059 21.369 -2.549 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.932 21.420 -0.485 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.753 22.247 -1.793 1.00 0.00 H new ATOM 0 HG SER A 94 2.469 23.694 -0.510 1.00 0.00 H new