USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 786 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 58 SER OG : rot 73:sc= 1.26 USER MOD Set 1.2: A 90 GLN : amide:sc=-0.000541 K(o=1.3,f=0.19) USER MOD Set 2.1: A 37 ASN : amide:sc= 0.255 K(o=0.65,f=-1.3) USER MOD Set 2.2: A 79 THR OG1 : rot -78:sc= 0.393 USER MOD Single : A 16 GLN : amide:sc= -0.405 X(o=-0.4,f=-0.084) USER MOD Single : A 19 HIS : no HD1:sc= -0.393 X(o=-0.39,f=0.067) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0095 USER MOD Single : A 29 SER OG : rot -130:sc= -2.48! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0964 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.29) USER MOD Single : A 48 SER OG : rot 180:sc= -0.979 USER MOD Single : A 53 TYR OH : rot -90:sc= -1.65! USER MOD Single : A 57 MET CE :methyl 170:sc= -1.2 (180deg=-1.38) USER MOD Single : A 60 ASN : amide:sc= -0.799 K(o=-0.8,f=-2.2!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -55:sc= 0.69 USER MOD Single : A 74 LYS NZ :NH3+ -119:sc= -1.24! (180deg=-2.86!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0365 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 148:sc= 1.05 (180deg=0.291) USER MOD Single : A 88 SER OG : rot 160:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= 0.3 USER MOD Single : A 94 CYS SG : rot -130:sc= -1.73! USER MOD Single : A 97 ASN : amide:sc= -5.89! C(o=-5.9!,f=-19!) USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= -0.0195 (180deg=-0.324) USER MOD Single : A 103 GLN : amide:sc= -0.468 K(o=-0.47,f=-1.3) USER MOD Single : A 105 SER OG : rot 170:sc= -1.06 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot -110:sc= -0.0311 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 211 N GLN A 16 17.910 -14.631 0.444 1.00 0.00 N ATOM 212 CA GLN A 16 16.873 -15.020 -0.496 1.00 0.00 C ATOM 213 C GLN A 16 15.804 -13.930 -0.589 1.00 0.00 C ATOM 214 O GLN A 16 15.818 -12.975 0.187 1.00 0.00 O ATOM 215 CB GLN A 16 16.254 -16.364 -0.105 1.00 0.00 C ATOM 216 CG GLN A 16 15.156 -16.177 0.943 1.00 0.00 C ATOM 217 CD GLN A 16 15.336 -17.155 2.106 1.00 0.00 C ATOM 218 OE1 GLN A 16 14.417 -17.844 2.519 1.00 0.00 O ATOM 219 NE2 GLN A 16 16.567 -17.178 2.609 1.00 0.00 N ATOM 0 HA GLN A 16 17.328 -15.139 -1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 16 15.839 -16.848 -0.989 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.027 -17.024 0.287 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.176 -15.154 1.317 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.180 -16.329 0.483 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.290 -16.575 2.216 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.788 -17.799 3.388 1.00 0.00 H new ATOM 228 N LEU A 17 14.903 -14.108 -1.543 1.00 0.00 N ATOM 229 CA LEU A 17 13.829 -13.151 -1.747 1.00 0.00 C ATOM 230 C LEU A 17 13.023 -13.013 -0.454 1.00 0.00 C ATOM 231 O LEU A 17 12.796 -13.996 0.249 1.00 0.00 O ATOM 232 CB LEU A 17 12.983 -13.546 -2.959 1.00 0.00 C ATOM 233 CG LEU A 17 13.584 -13.228 -4.329 1.00 0.00 C ATOM 234 CD1 LEU A 17 12.647 -13.669 -5.455 1.00 0.00 C ATOM 235 CD2 LEU A 17 13.952 -11.746 -4.436 1.00 0.00 C ATOM 0 H LEU A 17 14.894 -14.901 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 17 14.235 -12.166 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.790 -14.618 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.018 -13.045 -2.882 1.00 0.00 H new ATOM 0 HG LEU A 17 14.507 -13.797 -4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.098 -13.431 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.479 -14.744 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.695 -13.147 -5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.377 -11.547 -5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.058 -11.138 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.683 -11.496 -3.667 1.00 0.00 H new ATOM 247 N PRO A 18 12.603 -11.751 -0.171 1.00 0.00 N ATOM 248 CA PRO A 18 11.828 -11.470 1.026 1.00 0.00 C ATOM 249 C PRO A 18 10.384 -11.953 0.869 1.00 0.00 C ATOM 250 O PRO A 18 10.067 -12.677 -0.073 1.00 0.00 O ATOM 251 CB PRO A 18 11.933 -9.967 1.220 1.00 0.00 C ATOM 252 CG PRO A 18 12.370 -9.403 -0.122 1.00 0.00 C ATOM 253 CD PRO A 18 12.854 -10.561 -0.979 1.00 0.00 C ATOM 0 HA PRO A 18 12.203 -11.998 1.903 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.976 -9.545 1.528 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.655 -9.723 2.000 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.541 -8.889 -0.608 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.165 -8.670 0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.316 -10.605 -1.926 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.913 -10.461 -1.218 1.00 0.00 H new ATOM 261 N HIS A 19 9.549 -11.533 1.808 1.00 0.00 N ATOM 262 CA HIS A 19 8.147 -11.914 1.786 1.00 0.00 C ATOM 263 C HIS A 19 7.276 -10.660 1.687 1.00 0.00 C ATOM 264 O HIS A 19 7.720 -9.563 2.022 1.00 0.00 O ATOM 265 CB HIS A 19 7.800 -12.781 2.998 1.00 0.00 C ATOM 266 CG HIS A 19 8.076 -14.253 2.799 1.00 0.00 C ATOM 267 ND1 HIS A 19 7.502 -15.236 3.586 1.00 0.00 N ATOM 268 CD2 HIS A 19 8.868 -14.897 1.895 1.00 0.00 C ATOM 269 CE1 HIS A 19 7.937 -16.415 3.166 1.00 0.00 C ATOM 270 NE2 HIS A 19 8.784 -16.202 2.119 1.00 0.00 N ATOM 0 H HIS A 19 9.816 -10.933 2.588 1.00 0.00 H new ATOM 0 HA HIS A 19 7.947 -12.525 0.906 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.368 -12.428 3.859 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.745 -12.649 3.237 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.463 -14.425 1.127 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.668 -17.376 3.580 1.00 0.00 H new ATOM 0 HE2 HIS A 19 9.273 -16.927 1.594 1.00 0.00 H new ATOM 278 N ALA A 20 6.051 -10.864 1.224 1.00 0.00 N ATOM 279 CA ALA A 20 5.114 -9.763 1.076 1.00 0.00 C ATOM 280 C ALA A 20 4.729 -9.237 2.460 1.00 0.00 C ATOM 281 O ALA A 20 4.969 -9.899 3.469 1.00 0.00 O ATOM 282 CB ALA A 20 3.900 -10.231 0.272 1.00 0.00 C ATOM 0 H ALA A 20 5.686 -11.775 0.947 1.00 0.00 H new ATOM 0 HA ALA A 20 5.572 -8.940 0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.197 -9.405 0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.224 -10.567 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.413 -11.054 0.794 1.00 0.00 H new ATOM 288 N PRO A 21 4.123 -8.020 2.464 1.00 0.00 N ATOM 289 CA PRO A 21 3.702 -7.397 3.708 1.00 0.00 C ATOM 290 C PRO A 21 2.440 -8.066 4.256 1.00 0.00 C ATOM 291 O PRO A 21 1.543 -8.424 3.496 1.00 0.00 O ATOM 292 CB PRO A 21 3.496 -5.931 3.363 1.00 0.00 C ATOM 293 CG PRO A 21 3.357 -5.874 1.851 1.00 0.00 C ATOM 294 CD PRO A 21 3.822 -7.207 1.289 1.00 0.00 C ATOM 0 HA PRO A 21 4.439 -7.505 4.504 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.606 -5.536 3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.339 -5.328 3.701 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.322 -5.682 1.570 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.955 -5.059 1.443 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.049 -7.669 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.701 -7.085 0.656 1.00 0.00 H new ATOM 302 N GLU A 22 2.412 -8.214 5.573 1.00 0.00 N ATOM 303 CA GLU A 22 1.275 -8.833 6.232 1.00 0.00 C ATOM 304 C GLU A 22 0.372 -7.764 6.850 1.00 0.00 C ATOM 305 O GLU A 22 0.741 -6.591 6.905 1.00 0.00 O ATOM 306 CB GLU A 22 1.736 -9.839 7.289 1.00 0.00 C ATOM 307 CG GLU A 22 1.902 -11.234 6.684 1.00 0.00 C ATOM 308 CD GLU A 22 1.028 -12.256 7.413 1.00 0.00 C ATOM 309 OE1 GLU A 22 -0.200 -12.029 7.451 1.00 0.00 O ATOM 310 OE2 GLU A 22 1.609 -13.242 7.917 1.00 0.00 O ATOM 0 H GLU A 22 3.159 -7.916 6.201 1.00 0.00 H new ATOM 0 HA GLU A 22 0.699 -9.378 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.682 -9.511 7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.011 -9.875 8.102 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.635 -11.210 5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.947 -11.537 6.742 1.00 0.00 H new ATOM 317 N HIS A 23 -0.793 -8.206 7.298 1.00 0.00 N ATOM 318 CA HIS A 23 -1.752 -7.301 7.909 1.00 0.00 C ATOM 319 C HIS A 23 -1.912 -6.056 7.035 1.00 0.00 C ATOM 320 O HIS A 23 -1.821 -4.932 7.526 1.00 0.00 O ATOM 321 CB HIS A 23 -1.345 -6.968 9.346 1.00 0.00 C ATOM 322 CG HIS A 23 -2.045 -7.803 10.392 1.00 0.00 C ATOM 323 ND1 HIS A 23 -3.196 -7.386 11.037 1.00 0.00 N ATOM 324 CD2 HIS A 23 -1.745 -9.034 10.896 1.00 0.00 C ATOM 325 CE1 HIS A 23 -3.563 -8.331 11.890 1.00 0.00 C ATOM 326 NE2 HIS A 23 -2.662 -9.351 11.802 1.00 0.00 N ATOM 0 H HIS A 23 -1.095 -9.179 7.250 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.726 -7.786 7.972 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.268 -7.104 9.448 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.553 -5.915 9.537 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.904 -9.647 10.607 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.424 -8.299 12.541 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.688 -10.215 12.343 1.00 0.00 H new ATOM 334 N PRO A 24 -2.154 -6.304 5.720 1.00 0.00 N ATOM 335 CA PRO A 24 -2.328 -5.217 4.772 1.00 0.00 C ATOM 336 C PRO A 24 -3.700 -4.561 4.936 1.00 0.00 C ATOM 337 O PRO A 24 -4.717 -5.135 4.551 1.00 0.00 O ATOM 338 CB PRO A 24 -2.133 -5.851 3.405 1.00 0.00 C ATOM 339 CG PRO A 24 -2.318 -7.346 3.609 1.00 0.00 C ATOM 340 CD PRO A 24 -2.268 -7.623 5.103 1.00 0.00 C ATOM 0 HA PRO A 24 -1.615 -4.407 4.926 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.856 -5.462 2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.141 -5.630 3.010 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.270 -7.673 3.192 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.536 -7.901 3.091 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.165 -8.142 5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.418 -8.256 5.360 1.00 0.00 H new ATOM 348 N VAL A 25 -3.685 -3.366 5.509 1.00 0.00 N ATOM 349 CA VAL A 25 -4.916 -2.625 5.729 1.00 0.00 C ATOM 350 C VAL A 25 -4.907 -1.363 4.865 1.00 0.00 C ATOM 351 O VAL A 25 -3.845 -0.831 4.546 1.00 0.00 O ATOM 352 CB VAL A 25 -5.088 -2.328 7.220 1.00 0.00 C ATOM 353 CG1 VAL A 25 -4.235 -3.272 8.069 1.00 0.00 C ATOM 354 CG2 VAL A 25 -4.762 -0.866 7.529 1.00 0.00 C ATOM 0 H VAL A 25 -2.840 -2.892 5.828 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.779 -3.219 5.428 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.133 -2.499 7.477 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.376 -3.039 9.125 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.536 -4.303 7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.184 -3.148 7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.892 -0.682 8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.730 -0.656 7.248 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.431 -0.217 6.964 1.00 0.00 H new ATOM 364 N ALA A 26 -6.104 -0.919 4.510 1.00 0.00 N ATOM 365 CA ALA A 26 -6.248 0.271 3.689 1.00 0.00 C ATOM 366 C ALA A 26 -7.516 1.021 4.103 1.00 0.00 C ATOM 367 O ALA A 26 -8.625 0.592 3.788 1.00 0.00 O ATOM 368 CB ALA A 26 -6.261 -0.126 2.212 1.00 0.00 C ATOM 0 H ALA A 26 -6.983 -1.362 4.776 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.404 0.944 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.369 0.767 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.326 -0.628 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.097 -0.800 2.024 1.00 0.00 H new ATOM 374 N THR A 27 -7.310 2.127 4.802 1.00 0.00 N ATOM 375 CA THR A 27 -8.423 2.940 5.262 1.00 0.00 C ATOM 376 C THR A 27 -8.295 4.369 4.731 1.00 0.00 C ATOM 377 O THR A 27 -7.186 4.881 4.577 1.00 0.00 O ATOM 378 CB THR A 27 -8.468 2.860 6.789 1.00 0.00 C ATOM 379 OG1 THR A 27 -7.123 2.574 7.161 1.00 0.00 O ATOM 380 CG2 THR A 27 -9.259 1.650 7.289 1.00 0.00 C ATOM 0 H THR A 27 -6.389 2.480 5.061 1.00 0.00 H new ATOM 0 HA THR A 27 -9.371 2.567 4.875 1.00 0.00 H new ATOM 0 HB THR A 27 -8.911 3.773 7.187 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.061 2.507 8.137 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.260 1.641 8.379 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.285 1.711 6.926 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.797 0.735 6.919 1.00 0.00 H new ATOM 388 N LEU A 28 -9.444 4.974 4.467 1.00 0.00 N ATOM 389 CA LEU A 28 -9.473 6.335 3.958 1.00 0.00 C ATOM 390 C LEU A 28 -8.568 7.217 4.819 1.00 0.00 C ATOM 391 O LEU A 28 -8.052 6.771 5.843 1.00 0.00 O ATOM 392 CB LEU A 28 -10.914 6.840 3.863 1.00 0.00 C ATOM 393 CG LEU A 28 -11.486 6.974 2.450 1.00 0.00 C ATOM 394 CD1 LEU A 28 -12.961 7.380 2.492 1.00 0.00 C ATOM 395 CD2 LEU A 28 -10.650 7.941 1.609 1.00 0.00 C ATOM 0 H LEU A 28 -10.361 4.547 4.596 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.079 6.370 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.553 6.163 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.970 7.814 4.350 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.433 5.998 1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.343 7.468 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.532 6.623 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.060 8.339 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.078 8.018 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.648 8.924 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.627 7.571 1.538 1.00 0.00 H new ATOM 407 N SER A 29 -8.402 8.454 4.372 1.00 0.00 N ATOM 408 CA SER A 29 -7.567 9.403 5.089 1.00 0.00 C ATOM 409 C SER A 29 -8.443 10.380 5.875 1.00 0.00 C ATOM 410 O SER A 29 -8.884 11.395 5.337 1.00 0.00 O ATOM 411 CB SER A 29 -6.650 10.165 4.130 1.00 0.00 C ATOM 412 OG SER A 29 -5.550 9.369 3.699 1.00 0.00 O ATOM 0 H SER A 29 -8.832 8.820 3.523 1.00 0.00 H new ATOM 0 HA SER A 29 -6.938 8.848 5.785 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.223 10.491 3.262 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.277 11.063 4.622 1.00 0.00 H new ATOM 0 HG SER A 29 -4.717 9.871 3.819 1.00 0.00 H new ATOM 418 N THR A 30 -8.670 10.040 7.136 1.00 0.00 N ATOM 419 CA THR A 30 -9.485 10.875 8.001 1.00 0.00 C ATOM 420 C THR A 30 -8.706 12.121 8.429 1.00 0.00 C ATOM 421 O THR A 30 -8.553 12.383 9.621 1.00 0.00 O ATOM 422 CB THR A 30 -9.956 10.019 9.178 1.00 0.00 C ATOM 423 OG1 THR A 30 -8.778 9.340 9.606 1.00 0.00 O ATOM 424 CG2 THR A 30 -10.898 8.894 8.744 1.00 0.00 C ATOM 0 H THR A 30 -8.303 9.197 7.579 1.00 0.00 H new ATOM 0 HA THR A 30 -10.366 11.245 7.477 1.00 0.00 H new ATOM 0 HB THR A 30 -10.460 10.652 9.909 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.992 8.763 10.369 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.202 8.317 9.617 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.780 9.322 8.266 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.384 8.241 8.039 1.00 0.00 H new ATOM 432 N VAL A 31 -8.234 12.856 7.432 1.00 0.00 N ATOM 433 CA VAL A 31 -7.475 14.067 7.690 1.00 0.00 C ATOM 434 C VAL A 31 -7.036 14.682 6.360 1.00 0.00 C ATOM 435 O VAL A 31 -7.100 15.898 6.183 1.00 0.00 O ATOM 436 CB VAL A 31 -6.302 13.761 8.623 1.00 0.00 C ATOM 437 CG1 VAL A 31 -4.965 13.937 7.899 1.00 0.00 C ATOM 438 CG2 VAL A 31 -6.361 14.627 9.883 1.00 0.00 C ATOM 0 H VAL A 31 -8.363 12.636 6.444 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.095 14.804 8.200 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.383 12.718 8.930 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.148 13.713 8.585 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.920 13.258 7.047 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.874 14.965 7.549 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.515 14.389 10.528 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.319 15.680 9.603 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.291 14.430 10.416 1.00 0.00 H new ATOM 448 N GLU A 32 -6.601 13.814 5.458 1.00 0.00 N ATOM 449 CA GLU A 32 -6.152 14.257 4.149 1.00 0.00 C ATOM 450 C GLU A 32 -7.165 13.853 3.076 1.00 0.00 C ATOM 451 O GLU A 32 -7.375 12.666 2.831 1.00 0.00 O ATOM 452 CB GLU A 32 -4.763 13.701 3.829 1.00 0.00 C ATOM 453 CG GLU A 32 -3.703 14.801 3.898 1.00 0.00 C ATOM 454 CD GLU A 32 -2.498 14.351 4.727 1.00 0.00 C ATOM 455 OE1 GLU A 32 -2.730 13.615 5.711 1.00 0.00 O ATOM 456 OE2 GLU A 32 -1.373 14.754 4.360 1.00 0.00 O ATOM 0 H GLU A 32 -6.550 12.806 5.608 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.078 15.344 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.514 12.907 4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.766 13.256 2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.379 15.062 2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.135 15.700 4.337 1.00 0.00 H new ATOM 463 N ARG A 33 -7.766 14.863 2.464 1.00 0.00 N ATOM 464 CA ARG A 33 -8.751 14.628 1.423 1.00 0.00 C ATOM 465 C ARG A 33 -8.098 13.953 0.216 1.00 0.00 C ATOM 466 O ARG A 33 -6.947 14.238 -0.111 1.00 0.00 O ATOM 467 CB ARG A 33 -9.402 15.938 0.975 1.00 0.00 C ATOM 468 CG ARG A 33 -10.107 16.628 2.145 1.00 0.00 C ATOM 469 CD ARG A 33 -11.626 16.487 2.031 1.00 0.00 C ATOM 470 NE ARG A 33 -12.294 17.499 2.879 1.00 0.00 N ATOM 471 CZ ARG A 33 -12.346 17.442 4.217 1.00 0.00 C ATOM 472 NH1 ARG A 33 -11.771 16.422 4.867 1.00 0.00 N ATOM 473 NH2 ARG A 33 -12.975 18.406 4.904 1.00 0.00 N ATOM 0 H ARG A 33 -7.589 15.846 2.670 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.520 13.975 1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.644 16.602 0.560 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.120 15.738 0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.768 16.194 3.086 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.837 17.684 2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.934 16.610 0.993 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.930 15.486 2.337 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.743 18.289 2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.293 15.688 4.344 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.811 16.379 5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.414 19.182 4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.015 18.363 5.922 1.00 0.00 H new ATOM 487 N ARG A 34 -8.860 13.071 -0.413 1.00 0.00 N ATOM 488 CA ARG A 34 -8.369 12.353 -1.577 1.00 0.00 C ATOM 489 C ARG A 34 -7.097 11.578 -1.226 1.00 0.00 C ATOM 490 O ARG A 34 -6.197 11.447 -2.054 1.00 0.00 O ATOM 491 CB ARG A 34 -8.072 13.312 -2.731 1.00 0.00 C ATOM 492 CG ARG A 34 -9.307 14.142 -3.086 1.00 0.00 C ATOM 493 CD ARG A 34 -9.230 14.650 -4.528 1.00 0.00 C ATOM 494 NE ARG A 34 -10.368 15.553 -4.807 1.00 0.00 N ATOM 495 CZ ARG A 34 -10.373 16.479 -5.776 1.00 0.00 C ATOM 496 NH1 ARG A 34 -9.299 16.629 -6.564 1.00 0.00 N ATOM 497 NH2 ARG A 34 -11.451 17.254 -5.958 1.00 0.00 N ATOM 0 H ARG A 34 -9.814 12.837 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.147 11.657 -1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.251 13.974 -2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.746 12.746 -3.604 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.205 13.538 -2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.390 14.987 -2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.289 15.177 -4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.245 13.808 -5.220 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.201 15.465 -4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.479 16.039 -6.426 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.302 17.333 -7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.269 17.139 -5.359 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.454 17.958 -6.696 1.00 0.00 H new ATOM 511 N ALA A 35 -7.063 11.086 0.004 1.00 0.00 N ATOM 512 CA ALA A 35 -5.917 10.328 0.475 1.00 0.00 C ATOM 513 C ALA A 35 -6.404 9.066 1.190 1.00 0.00 C ATOM 514 O ALA A 35 -7.563 8.985 1.594 1.00 0.00 O ATOM 515 CB ALA A 35 -5.055 11.213 1.377 1.00 0.00 C ATOM 0 H ALA A 35 -7.811 11.198 0.688 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.295 10.013 -0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.195 10.644 1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.710 12.080 0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.645 11.547 2.231 1.00 0.00 H new ATOM 521 N ILE A 36 -5.494 8.112 1.325 1.00 0.00 N ATOM 522 CA ILE A 36 -5.816 6.858 1.985 1.00 0.00 C ATOM 523 C ILE A 36 -4.637 6.430 2.860 1.00 0.00 C ATOM 524 O ILE A 36 -3.480 6.624 2.489 1.00 0.00 O ATOM 525 CB ILE A 36 -6.234 5.805 0.957 1.00 0.00 C ATOM 526 CG1 ILE A 36 -7.580 6.161 0.323 1.00 0.00 C ATOM 527 CG2 ILE A 36 -6.245 4.407 1.579 1.00 0.00 C ATOM 528 CD1 ILE A 36 -7.880 5.254 -0.872 1.00 0.00 C ATOM 0 H ILE A 36 -4.534 8.182 0.988 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.674 6.984 2.646 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.494 5.796 0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.372 6.065 1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.570 7.202 0.000 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.545 3.677 0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.247 4.163 1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.950 4.384 2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.842 5.528 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.098 5.371 -1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.913 4.216 -0.542 1.00 0.00 H new ATOM 540 N ASN A 37 -4.970 5.855 4.006 1.00 0.00 N ATOM 541 CA ASN A 37 -3.953 5.397 4.938 1.00 0.00 C ATOM 542 C ASN A 37 -3.796 3.880 4.810 1.00 0.00 C ATOM 543 O ASN A 37 -4.780 3.144 4.864 1.00 0.00 O ATOM 544 CB ASN A 37 -4.347 5.711 6.382 1.00 0.00 C ATOM 545 CG ASN A 37 -3.451 6.804 6.969 1.00 0.00 C ATOM 546 OD1 ASN A 37 -2.244 6.812 6.797 1.00 0.00 O ATOM 547 ND2 ASN A 37 -4.108 7.723 7.672 1.00 0.00 N ATOM 0 H ASN A 37 -5.930 5.696 4.311 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.021 5.910 4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.388 6.031 6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.270 4.808 6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.599 8.493 8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.120 7.657 7.777 1.00 0.00 H new ATOM 554 N LEU A 38 -2.552 3.458 4.643 1.00 0.00 N ATOM 555 CA LEU A 38 -2.253 2.043 4.507 1.00 0.00 C ATOM 556 C LEU A 38 -1.242 1.634 5.580 1.00 0.00 C ATOM 557 O LEU A 38 -0.280 2.355 5.839 1.00 0.00 O ATOM 558 CB LEU A 38 -1.799 1.725 3.081 1.00 0.00 C ATOM 559 CG LEU A 38 -1.817 0.247 2.685 1.00 0.00 C ATOM 560 CD1 LEU A 38 -3.150 -0.130 2.037 1.00 0.00 C ATOM 561 CD2 LEU A 38 -0.626 -0.094 1.787 1.00 0.00 C ATOM 0 H LEU A 38 -1.738 4.072 4.599 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.151 1.447 4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.436 2.274 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.785 2.103 2.951 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.719 -0.351 3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.137 -1.185 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.962 0.053 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.303 0.473 1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.662 -1.150 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.668 0.511 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.302 0.114 2.319 1.00 0.00 H new ATOM 573 N THR A 39 -1.494 0.478 6.176 1.00 0.00 N ATOM 574 CA THR A 39 -0.618 -0.036 7.215 1.00 0.00 C ATOM 575 C THR A 39 -0.488 -1.556 7.100 1.00 0.00 C ATOM 576 O THR A 39 -1.492 -2.267 7.057 1.00 0.00 O ATOM 577 CB THR A 39 -1.165 0.427 8.567 1.00 0.00 C ATOM 578 OG1 THR A 39 -2.039 -0.625 8.966 1.00 0.00 O ATOM 579 CG2 THR A 39 -2.082 1.646 8.441 1.00 0.00 C ATOM 0 H THR A 39 -2.293 -0.118 5.959 1.00 0.00 H new ATOM 0 HA THR A 39 0.394 0.354 7.107 1.00 0.00 H new ATOM 0 HB THR A 39 -0.335 0.664 9.233 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.437 -0.408 9.835 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.443 1.934 9.429 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.527 2.475 8.002 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.930 1.399 7.803 1.00 0.00 H new ATOM 587 N TRP A 40 0.755 -2.010 7.055 1.00 0.00 N ATOM 588 CA TRP A 40 1.029 -3.433 6.946 1.00 0.00 C ATOM 589 C TRP A 40 2.051 -3.802 8.023 1.00 0.00 C ATOM 590 O TRP A 40 2.511 -2.938 8.769 1.00 0.00 O ATOM 591 CB TRP A 40 1.491 -3.796 5.533 1.00 0.00 C ATOM 592 CG TRP A 40 2.762 -3.069 5.088 1.00 0.00 C ATOM 593 CD1 TRP A 40 4.025 -3.517 5.126 1.00 0.00 C ATOM 594 CD2 TRP A 40 2.842 -1.740 4.533 1.00 0.00 C ATOM 595 NE1 TRP A 40 4.909 -2.576 4.638 1.00 0.00 N ATOM 596 CE2 TRP A 40 4.167 -1.462 4.266 1.00 0.00 C ATOM 597 CE3 TRP A 40 1.829 -0.803 4.264 1.00 0.00 C ATOM 598 CZ2 TRP A 40 4.601 -0.249 3.717 1.00 0.00 C ATOM 599 CZ3 TRP A 40 2.278 0.404 3.717 1.00 0.00 C ATOM 600 CH2 TRP A 40 3.608 0.700 3.442 1.00 0.00 C ATOM 0 H TRP A 40 1.585 -1.418 7.092 1.00 0.00 H new ATOM 0 HA TRP A 40 0.122 -4.014 7.114 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.663 -4.871 5.483 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.690 -3.569 4.830 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.314 -4.491 5.492 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.921 -2.680 4.564 1.00 0.00 H new ATOM 0 HE3 TRP A 40 0.786 -0.999 4.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.644 -0.056 3.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.539 1.159 3.493 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.875 1.657 3.018 1.00 0.00 H new ATOM 611 N THR A 41 2.378 -5.085 8.069 1.00 0.00 N ATOM 612 CA THR A 41 3.338 -5.578 9.042 1.00 0.00 C ATOM 613 C THR A 41 4.702 -5.794 8.384 1.00 0.00 C ATOM 614 O THR A 41 4.787 -5.978 7.171 1.00 0.00 O ATOM 615 CB THR A 41 2.761 -6.846 9.674 1.00 0.00 C ATOM 616 OG1 THR A 41 1.975 -6.366 10.762 1.00 0.00 O ATOM 617 CG2 THR A 41 3.834 -7.708 10.343 1.00 0.00 C ATOM 0 H THR A 41 1.995 -5.798 7.448 1.00 0.00 H new ATOM 0 HA THR A 41 3.507 -4.849 9.835 1.00 0.00 H new ATOM 0 HB THR A 41 2.249 -7.431 8.910 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.562 -7.124 11.227 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.371 -8.595 10.775 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.573 -8.010 9.601 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.323 -7.134 11.130 1.00 0.00 H new ATOM 625 N LYS A 42 5.735 -5.764 9.213 1.00 0.00 N ATOM 626 CA LYS A 42 7.091 -5.954 8.727 1.00 0.00 C ATOM 627 C LYS A 42 7.332 -7.443 8.471 1.00 0.00 C ATOM 628 O LYS A 42 7.388 -8.237 9.409 1.00 0.00 O ATOM 629 CB LYS A 42 8.099 -5.324 9.691 1.00 0.00 C ATOM 630 CG LYS A 42 9.364 -4.886 8.951 1.00 0.00 C ATOM 631 CD LYS A 42 10.490 -5.904 9.139 1.00 0.00 C ATOM 632 CE LYS A 42 11.787 -5.412 8.494 1.00 0.00 C ATOM 633 NZ LYS A 42 12.816 -5.157 9.527 1.00 0.00 N ATOM 0 H LYS A 42 5.660 -5.611 10.219 1.00 0.00 H new ATOM 0 HA LYS A 42 7.231 -5.440 7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.647 -4.464 10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.359 -6.040 10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.147 -4.771 7.889 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.685 -3.911 9.318 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.652 -6.080 10.202 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.200 -6.858 8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.152 -6.155 7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.596 -4.499 7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.690 -4.824 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.472 -4.432 10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.010 -6.036 10.048 1.00 0.00 H new ATOM 647 N PRO A 43 7.471 -7.786 7.162 1.00 0.00 N ATOM 648 CA PRO A 43 7.705 -9.165 6.771 1.00 0.00 C ATOM 649 C PRO A 43 9.147 -9.583 7.070 1.00 0.00 C ATOM 650 O PRO A 43 9.954 -8.767 7.511 1.00 0.00 O ATOM 651 CB PRO A 43 7.367 -9.217 5.290 1.00 0.00 C ATOM 652 CG PRO A 43 7.405 -7.777 4.803 1.00 0.00 C ATOM 653 CD PRO A 43 7.410 -6.873 6.025 1.00 0.00 C ATOM 0 HA PRO A 43 7.091 -9.871 7.331 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.085 -9.832 4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.383 -9.658 5.129 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.293 -7.603 4.195 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.541 -7.564 4.174 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.265 -6.197 6.014 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.514 -6.253 6.063 1.00 0.00 H new ATOM 661 N PHE A 44 9.425 -10.854 6.817 1.00 0.00 N ATOM 662 CA PHE A 44 10.755 -11.390 7.054 1.00 0.00 C ATOM 663 C PHE A 44 11.565 -11.438 5.757 1.00 0.00 C ATOM 664 O PHE A 44 11.126 -12.023 4.768 1.00 0.00 O ATOM 665 CB PHE A 44 10.575 -12.814 7.583 1.00 0.00 C ATOM 666 CG PHE A 44 11.888 -13.578 7.770 1.00 0.00 C ATOM 667 CD1 PHE A 44 12.619 -13.950 6.685 1.00 0.00 C ATOM 668 CD2 PHE A 44 12.323 -13.885 9.022 1.00 0.00 C ATOM 669 CE1 PHE A 44 13.837 -14.660 6.860 1.00 0.00 C ATOM 670 CE2 PHE A 44 13.541 -14.594 9.196 1.00 0.00 C ATOM 671 CZ PHE A 44 14.272 -14.966 8.111 1.00 0.00 C ATOM 0 H PHE A 44 8.752 -11.528 6.451 1.00 0.00 H new ATOM 0 HA PHE A 44 11.291 -10.758 7.762 1.00 0.00 H new ATOM 0 HB2 PHE A 44 10.051 -12.773 8.538 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.938 -13.369 6.894 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.274 -13.706 5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 44 11.742 -13.590 9.883 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.417 -14.957 5.999 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.887 -14.838 10.190 1.00 0.00 H new ATOM 0 HZ PHE A 44 15.199 -15.505 8.243 1.00 0.00 H new ATOM 681 N ASP A 45 12.734 -10.816 5.803 1.00 0.00 N ATOM 682 CA ASP A 45 13.609 -10.781 4.644 1.00 0.00 C ATOM 683 C ASP A 45 14.525 -12.006 4.664 1.00 0.00 C ATOM 684 O ASP A 45 14.957 -12.445 5.729 1.00 0.00 O ATOM 685 CB ASP A 45 14.492 -9.531 4.658 1.00 0.00 C ATOM 686 CG ASP A 45 15.126 -9.172 3.313 1.00 0.00 C ATOM 687 OD1 ASP A 45 15.623 -10.110 2.652 1.00 0.00 O ATOM 688 OD2 ASP A 45 15.101 -7.969 2.976 1.00 0.00 O ATOM 0 H ASP A 45 13.095 -10.332 6.625 1.00 0.00 H new ATOM 0 HA ASP A 45 12.984 -10.772 3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.894 -8.686 4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.286 -9.674 5.390 1.00 0.00 H new ATOM 693 N GLY A 46 14.793 -12.525 3.475 1.00 0.00 N ATOM 694 CA GLY A 46 15.649 -13.691 3.343 1.00 0.00 C ATOM 695 C GLY A 46 16.792 -13.651 4.360 1.00 0.00 C ATOM 696 O GLY A 46 16.843 -14.471 5.275 1.00 0.00 O ATOM 0 H GLY A 46 14.432 -12.159 2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 46 15.060 -14.597 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.057 -13.734 2.333 1.00 0.00 H new ATOM 700 N ASN A 47 17.680 -12.687 4.166 1.00 0.00 N ATOM 701 CA ASN A 47 18.819 -12.529 5.054 1.00 0.00 C ATOM 702 C ASN A 47 19.534 -11.216 4.731 1.00 0.00 C ATOM 703 O ASN A 47 20.753 -11.119 4.865 1.00 0.00 O ATOM 704 CB ASN A 47 19.821 -13.670 4.874 1.00 0.00 C ATOM 705 CG ASN A 47 19.701 -14.690 6.009 1.00 0.00 C ATOM 706 OD1 ASN A 47 19.905 -14.388 7.173 1.00 0.00 O ATOM 707 ND2 ASN A 47 19.360 -15.910 5.605 1.00 0.00 N ATOM 0 H ASN A 47 17.634 -12.007 3.407 1.00 0.00 H new ATOM 0 HA ASN A 47 18.449 -12.533 6.079 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.648 -14.163 3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.834 -13.268 4.847 1.00 0.00 H new ATOM 0 HD21 ASN A 47 19.254 -16.662 6.286 1.00 0.00 H new ATOM 0 HD22 ASN A 47 19.204 -16.094 4.614 1.00 0.00 H new ATOM 714 N SER A 48 18.746 -10.237 4.310 1.00 0.00 N ATOM 715 CA SER A 48 19.289 -8.934 3.966 1.00 0.00 C ATOM 716 C SER A 48 18.311 -7.833 4.382 1.00 0.00 C ATOM 717 O SER A 48 17.116 -8.085 4.534 1.00 0.00 O ATOM 718 CB SER A 48 19.589 -8.840 2.469 1.00 0.00 C ATOM 719 OG SER A 48 20.861 -8.251 2.215 1.00 0.00 O ATOM 0 H SER A 48 17.735 -10.320 4.199 1.00 0.00 H new ATOM 0 HA SER A 48 20.227 -8.801 4.506 1.00 0.00 H new ATOM 0 HB2 SER A 48 19.557 -9.837 2.030 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.813 -8.251 1.980 1.00 0.00 H new ATOM 0 HG SER A 48 21.016 -8.211 1.248 1.00 0.00 H new ATOM 725 N PRO A 49 18.868 -6.605 4.558 1.00 0.00 N ATOM 726 CA PRO A 49 18.058 -5.466 4.953 1.00 0.00 C ATOM 727 C PRO A 49 17.221 -4.955 3.778 1.00 0.00 C ATOM 728 O PRO A 49 17.761 -4.614 2.727 1.00 0.00 O ATOM 729 CB PRO A 49 19.052 -4.436 5.465 1.00 0.00 C ATOM 730 CG PRO A 49 20.405 -4.850 4.910 1.00 0.00 C ATOM 731 CD PRO A 49 20.279 -6.271 4.386 1.00 0.00 C ATOM 0 HA PRO A 49 17.329 -5.715 5.724 1.00 0.00 H new ATOM 0 HB2 PRO A 49 18.783 -3.434 5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.067 -4.415 6.555 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.713 -4.175 4.112 1.00 0.00 H new ATOM 0 HG3 PRO A 49 21.169 -4.796 5.686 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.576 -6.335 3.339 1.00 0.00 H new ATOM 0 HD3 PRO A 49 20.919 -6.956 4.942 1.00 0.00 H new ATOM 739 N LEU A 50 15.914 -4.919 3.996 1.00 0.00 N ATOM 740 CA LEU A 50 14.997 -4.456 2.969 1.00 0.00 C ATOM 741 C LEU A 50 15.570 -3.201 2.307 1.00 0.00 C ATOM 742 O LEU A 50 16.240 -2.402 2.960 1.00 0.00 O ATOM 743 CB LEU A 50 13.596 -4.258 3.552 1.00 0.00 C ATOM 744 CG LEU A 50 12.956 -5.491 4.194 1.00 0.00 C ATOM 745 CD1 LEU A 50 11.674 -5.117 4.940 1.00 0.00 C ATOM 746 CD2 LEU A 50 12.717 -6.588 3.155 1.00 0.00 C ATOM 0 H LEU A 50 15.469 -5.203 4.869 1.00 0.00 H new ATOM 0 HA LEU A 50 14.889 -5.208 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.644 -3.467 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.940 -3.905 2.757 1.00 0.00 H new ATOM 0 HG LEU A 50 13.651 -5.893 4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.239 -6.011 5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.906 -4.396 5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.962 -4.677 4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.262 -7.453 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.051 -6.214 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.668 -6.880 2.709 1.00 0.00 H new ATOM 758 N ILE A 51 15.286 -3.068 1.020 1.00 0.00 N ATOM 759 CA ILE A 51 15.765 -1.924 0.263 1.00 0.00 C ATOM 760 C ILE A 51 14.631 -0.909 0.107 1.00 0.00 C ATOM 761 O ILE A 51 14.764 0.243 0.518 1.00 0.00 O ATOM 762 CB ILE A 51 16.371 -2.378 -1.067 1.00 0.00 C ATOM 763 CG1 ILE A 51 17.775 -2.950 -0.864 1.00 0.00 C ATOM 764 CG2 ILE A 51 16.358 -1.241 -2.092 1.00 0.00 C ATOM 765 CD1 ILE A 51 18.412 -3.330 -2.202 1.00 0.00 C ATOM 0 H ILE A 51 14.730 -3.733 0.482 1.00 0.00 H new ATOM 0 HA ILE A 51 16.570 -1.422 0.800 1.00 0.00 H new ATOM 0 HB ILE A 51 15.752 -3.181 -1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.400 -2.216 -0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.724 -3.827 -0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 51 16.794 -1.590 -3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.331 -0.921 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 51 16.940 -0.401 -1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 51 19.409 -3.734 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.797 -4.082 -2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 51 18.484 -2.446 -2.835 1.00 0.00 H new ATOM 777 N ARG A 52 13.541 -1.374 -0.486 1.00 0.00 N ATOM 778 CA ARG A 52 12.385 -0.521 -0.700 1.00 0.00 C ATOM 779 C ARG A 52 11.139 -1.371 -0.960 1.00 0.00 C ATOM 780 O ARG A 52 11.206 -2.599 -0.937 1.00 0.00 O ATOM 781 CB ARG A 52 12.607 0.421 -1.885 1.00 0.00 C ATOM 782 CG ARG A 52 12.357 -0.298 -3.212 1.00 0.00 C ATOM 783 CD ARG A 52 12.664 0.618 -4.399 1.00 0.00 C ATOM 784 NE ARG A 52 14.124 0.664 -4.638 1.00 0.00 N ATOM 785 CZ ARG A 52 14.827 -0.337 -5.185 1.00 0.00 C ATOM 786 NH1 ARG A 52 14.210 -1.467 -5.553 1.00 0.00 N ATOM 787 NH2 ARG A 52 16.149 -0.206 -5.364 1.00 0.00 N ATOM 0 H ARG A 52 13.434 -2.330 -0.825 1.00 0.00 H new ATOM 0 HA ARG A 52 12.242 0.075 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.941 1.279 -1.801 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.627 0.806 -1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.978 -1.192 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.319 -0.627 -3.261 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.152 0.256 -5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.288 1.622 -4.201 1.00 0.00 H new ATOM 0 HE ARG A 52 14.626 1.510 -4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.204 -1.566 -5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.746 -2.228 -5.969 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.619 0.655 -5.084 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.685 -0.967 -5.780 1.00 0.00 H new ATOM 801 N TYR A 53 10.032 -0.684 -1.201 1.00 0.00 N ATOM 802 CA TYR A 53 8.774 -1.360 -1.465 1.00 0.00 C ATOM 803 C TYR A 53 8.050 -0.727 -2.655 1.00 0.00 C ATOM 804 O TYR A 53 7.949 0.495 -2.746 1.00 0.00 O ATOM 805 CB TYR A 53 7.923 -1.173 -0.207 1.00 0.00 C ATOM 806 CG TYR A 53 8.188 -2.212 0.884 1.00 0.00 C ATOM 807 CD1 TYR A 53 9.405 -2.235 1.533 1.00 0.00 C ATOM 808 CD2 TYR A 53 7.209 -3.126 1.219 1.00 0.00 C ATOM 809 CE1 TYR A 53 9.655 -3.213 2.560 1.00 0.00 C ATOM 810 CE2 TYR A 53 7.459 -4.104 2.246 1.00 0.00 C ATOM 811 CZ TYR A 53 8.669 -4.099 2.866 1.00 0.00 C ATOM 812 OH TYR A 53 8.905 -5.023 3.836 1.00 0.00 O ATOM 0 H TYR A 53 9.981 0.335 -1.219 1.00 0.00 H new ATOM 0 HA TYR A 53 8.945 -2.410 -1.702 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.108 -0.179 0.200 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.870 -1.213 -0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.170 -1.520 1.271 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.256 -3.108 0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 53 10.604 -3.242 3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.702 -4.825 2.518 1.00 0.00 H new ATOM 0 HH TYR A 53 9.288 -5.830 3.433 1.00 0.00 H new ATOM 822 N ILE A 54 7.565 -1.588 -3.538 1.00 0.00 N ATOM 823 CA ILE A 54 6.854 -1.129 -4.718 1.00 0.00 C ATOM 824 C ILE A 54 5.347 -1.221 -4.469 1.00 0.00 C ATOM 825 O ILE A 54 4.780 -2.313 -4.473 1.00 0.00 O ATOM 826 CB ILE A 54 7.320 -1.895 -5.957 1.00 0.00 C ATOM 827 CG1 ILE A 54 8.801 -1.632 -6.240 1.00 0.00 C ATOM 828 CG2 ILE A 54 6.439 -1.573 -7.166 1.00 0.00 C ATOM 829 CD1 ILE A 54 9.264 -2.389 -7.486 1.00 0.00 C ATOM 0 H ILE A 54 7.651 -2.601 -3.459 1.00 0.00 H new ATOM 0 HA ILE A 54 7.082 -0.081 -4.915 1.00 0.00 H new ATOM 0 HB ILE A 54 7.215 -2.961 -5.758 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.964 -0.563 -6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.399 -1.938 -5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.793 -2.131 -8.033 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.408 -1.853 -6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.488 -0.505 -7.378 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.320 -2.185 -7.665 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.122 -3.459 -7.335 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.681 -2.063 -8.347 1.00 0.00 H new ATOM 841 N LEU A 55 4.742 -0.062 -4.258 1.00 0.00 N ATOM 842 CA LEU A 55 3.312 0.002 -4.008 1.00 0.00 C ATOM 843 C LEU A 55 2.574 0.189 -5.335 1.00 0.00 C ATOM 844 O LEU A 55 2.824 1.153 -6.057 1.00 0.00 O ATOM 845 CB LEU A 55 2.997 1.081 -2.971 1.00 0.00 C ATOM 846 CG LEU A 55 1.544 1.559 -2.919 1.00 0.00 C ATOM 847 CD1 LEU A 55 0.729 0.730 -1.925 1.00 0.00 C ATOM 848 CD2 LEU A 55 1.470 3.056 -2.614 1.00 0.00 C ATOM 0 H LEU A 55 5.216 0.841 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 55 2.959 -0.934 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.269 0.701 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.635 1.943 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 55 1.100 1.409 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.299 1.091 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.741 -0.317 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.163 0.825 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.427 3.370 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.938 3.254 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.993 3.612 -3.392 1.00 0.00 H new ATOM 860 N GLU A 56 1.679 -0.747 -5.615 1.00 0.00 N ATOM 861 CA GLU A 56 0.903 -0.697 -6.842 1.00 0.00 C ATOM 862 C GLU A 56 -0.586 -0.544 -6.523 1.00 0.00 C ATOM 863 O GLU A 56 -1.146 -1.333 -5.763 1.00 0.00 O ATOM 864 CB GLU A 56 1.154 -1.937 -7.701 1.00 0.00 C ATOM 865 CG GLU A 56 2.350 -1.726 -8.633 1.00 0.00 C ATOM 866 CD GLU A 56 2.602 -2.967 -9.491 1.00 0.00 C ATOM 867 OE1 GLU A 56 1.941 -3.071 -10.547 1.00 0.00 O ATOM 868 OE2 GLU A 56 3.451 -3.784 -9.072 1.00 0.00 O ATOM 0 H GLU A 56 1.474 -1.544 -5.013 1.00 0.00 H new ATOM 0 HA GLU A 56 1.223 0.173 -7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.337 -2.798 -7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.265 -2.162 -8.290 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.167 -0.866 -9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.239 -1.500 -8.044 1.00 0.00 H new ATOM 875 N MET A 57 -1.184 0.477 -7.119 1.00 0.00 N ATOM 876 CA MET A 57 -2.597 0.744 -6.908 1.00 0.00 C ATOM 877 C MET A 57 -3.432 0.240 -8.087 1.00 0.00 C ATOM 878 O MET A 57 -3.016 0.349 -9.239 1.00 0.00 O ATOM 879 CB MET A 57 -2.812 2.249 -6.735 1.00 0.00 C ATOM 880 CG MET A 57 -4.303 2.583 -6.648 1.00 0.00 C ATOM 881 SD MET A 57 -4.534 4.352 -6.668 1.00 0.00 S ATOM 882 CE MET A 57 -4.159 4.694 -8.380 1.00 0.00 C ATOM 0 H MET A 57 -0.716 1.129 -7.748 1.00 0.00 H new ATOM 0 HA MET A 57 -2.917 0.217 -6.009 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.306 2.591 -5.832 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.364 2.783 -7.573 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.835 2.129 -7.484 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.726 2.163 -5.735 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.425 5.725 -8.612 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.094 4.546 -8.556 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.729 4.020 -9.019 1.00 0.00 H new ATOM 892 N SER A 58 -4.596 -0.300 -7.758 1.00 0.00 N ATOM 893 CA SER A 58 -5.494 -0.821 -8.775 1.00 0.00 C ATOM 894 C SER A 58 -6.868 -0.159 -8.649 1.00 0.00 C ATOM 895 O SER A 58 -7.677 -0.556 -7.811 1.00 0.00 O ATOM 896 CB SER A 58 -5.625 -2.341 -8.668 1.00 0.00 C ATOM 897 OG SER A 58 -6.758 -2.831 -9.381 1.00 0.00 O ATOM 0 H SER A 58 -4.938 -0.388 -6.801 1.00 0.00 H new ATOM 0 HA SER A 58 -5.074 -0.588 -9.754 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.721 -2.811 -9.056 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.706 -2.625 -7.619 1.00 0.00 H new ATOM 0 HG SER A 58 -6.582 -2.788 -10.344 1.00 0.00 H new ATOM 903 N GLU A 59 -7.089 0.838 -9.493 1.00 0.00 N ATOM 904 CA GLU A 59 -8.351 1.558 -9.486 1.00 0.00 C ATOM 905 C GLU A 59 -9.502 0.615 -9.840 1.00 0.00 C ATOM 906 O GLU A 59 -9.414 -0.591 -9.613 1.00 0.00 O ATOM 907 CB GLU A 59 -8.306 2.751 -10.443 1.00 0.00 C ATOM 908 CG GLU A 59 -9.191 3.893 -9.937 1.00 0.00 C ATOM 909 CD GLU A 59 -9.778 4.689 -11.104 1.00 0.00 C ATOM 910 OE1 GLU A 59 -10.515 4.069 -11.901 1.00 0.00 O ATOM 911 OE2 GLU A 59 -9.476 5.900 -11.174 1.00 0.00 O ATOM 0 H GLU A 59 -6.416 1.164 -10.186 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.521 1.945 -8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.279 3.100 -10.546 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.638 2.440 -11.434 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.998 3.489 -9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.607 4.555 -9.298 1.00 0.00 H new ATOM 918 N ASN A 60 -10.556 1.199 -10.390 1.00 0.00 N ATOM 919 CA ASN A 60 -11.724 0.426 -10.777 1.00 0.00 C ATOM 920 C ASN A 60 -11.369 -0.461 -11.972 1.00 0.00 C ATOM 921 O ASN A 60 -11.478 -0.034 -13.121 1.00 0.00 O ATOM 922 CB ASN A 60 -12.877 1.341 -11.193 1.00 0.00 C ATOM 923 CG ASN A 60 -13.863 1.539 -10.040 1.00 0.00 C ATOM 924 OD1 ASN A 60 -14.185 0.624 -9.300 1.00 0.00 O ATOM 925 ND2 ASN A 60 -14.323 2.782 -9.929 1.00 0.00 N ATOM 0 H ASN A 60 -10.626 2.199 -10.577 1.00 0.00 H new ATOM 0 HA ASN A 60 -12.031 -0.174 -9.920 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -12.483 2.307 -11.510 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -13.396 0.912 -12.050 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.987 3.016 -9.191 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.012 3.501 -10.582 1.00 0.00 H new ATOM 932 N ASN A 61 -10.953 -1.680 -11.661 1.00 0.00 N ATOM 933 CA ASN A 61 -10.582 -2.631 -12.695 1.00 0.00 C ATOM 934 C ASN A 61 -9.316 -2.140 -13.402 1.00 0.00 C ATOM 935 O ASN A 61 -9.011 -2.579 -14.510 1.00 0.00 O ATOM 936 CB ASN A 61 -11.688 -2.764 -13.744 1.00 0.00 C ATOM 937 CG ASN A 61 -12.079 -4.229 -13.945 1.00 0.00 C ATOM 938 OD1 ASN A 61 -12.756 -4.835 -13.131 1.00 0.00 O ATOM 939 ND2 ASN A 61 -11.616 -4.762 -15.072 1.00 0.00 N ATOM 0 H ASN A 61 -10.865 -2.031 -10.707 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.417 -3.598 -12.220 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.561 -2.190 -13.432 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.350 -2.341 -14.690 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.822 -5.735 -15.298 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.055 -4.198 -15.710 1.00 0.00 H new ATOM 946 N ALA A 62 -8.615 -1.238 -12.733 1.00 0.00 N ATOM 947 CA ALA A 62 -7.389 -0.684 -13.283 1.00 0.00 C ATOM 948 C ALA A 62 -6.233 -1.649 -13.016 1.00 0.00 C ATOM 949 O ALA A 62 -6.227 -2.352 -12.006 1.00 0.00 O ATOM 950 CB ALA A 62 -7.142 0.703 -12.685 1.00 0.00 C ATOM 0 H ALA A 62 -8.872 -0.876 -11.815 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.473 -0.563 -14.363 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.223 1.119 -13.097 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.978 1.359 -12.929 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.049 0.621 -11.602 1.00 0.00 H new ATOM 956 N PRO A 63 -5.256 -1.652 -13.962 1.00 0.00 N ATOM 957 CA PRO A 63 -4.097 -2.519 -13.838 1.00 0.00 C ATOM 958 C PRO A 63 -3.123 -1.986 -12.786 1.00 0.00 C ATOM 959 O PRO A 63 -2.963 -0.775 -12.640 1.00 0.00 O ATOM 960 CB PRO A 63 -3.494 -2.571 -15.233 1.00 0.00 C ATOM 961 CG PRO A 63 -4.059 -1.372 -15.976 1.00 0.00 C ATOM 962 CD PRO A 63 -5.230 -0.833 -15.170 1.00 0.00 C ATOM 0 HA PRO A 63 -4.356 -3.520 -13.492 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.406 -2.526 -15.190 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.755 -3.501 -15.737 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.295 -0.604 -16.099 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.384 -1.661 -16.975 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.094 0.222 -14.931 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.164 -0.916 -15.725 1.00 0.00 H new ATOM 970 N TRP A 64 -2.498 -2.916 -12.079 1.00 0.00 N ATOM 971 CA TRP A 64 -1.544 -2.555 -11.044 1.00 0.00 C ATOM 972 C TRP A 64 -0.566 -1.539 -11.637 1.00 0.00 C ATOM 973 O TRP A 64 0.269 -1.888 -12.469 1.00 0.00 O ATOM 974 CB TRP A 64 -0.848 -3.797 -10.483 1.00 0.00 C ATOM 975 CG TRP A 64 -1.795 -4.783 -9.794 1.00 0.00 C ATOM 976 CD1 TRP A 64 -2.033 -6.061 -10.118 1.00 0.00 C ATOM 977 CD2 TRP A 64 -2.625 -4.517 -8.644 1.00 0.00 C ATOM 978 NE1 TRP A 64 -2.952 -6.636 -9.265 1.00 0.00 N ATOM 979 CE2 TRP A 64 -3.324 -5.667 -8.340 1.00 0.00 C ATOM 980 CE3 TRP A 64 -2.780 -3.343 -7.886 1.00 0.00 C ATOM 981 CZ2 TRP A 64 -4.226 -5.757 -7.273 1.00 0.00 C ATOM 982 CZ3 TRP A 64 -3.686 -3.449 -6.823 1.00 0.00 C ATOM 983 CH2 TRP A 64 -4.397 -4.600 -6.503 1.00 0.00 C ATOM 0 H TRP A 64 -2.634 -3.919 -12.203 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.051 -2.096 -10.195 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.333 -4.310 -11.295 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.085 -3.483 -9.770 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.564 -6.576 -10.943 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.295 -7.596 -9.305 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.243 -2.432 -8.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.761 -6.670 -7.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.843 -2.575 -6.209 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.078 -4.602 -5.665 1.00 0.00 H new ATOM 994 N THR A 65 -0.702 -0.301 -11.183 1.00 0.00 N ATOM 995 CA THR A 65 0.159 0.769 -11.658 1.00 0.00 C ATOM 996 C THR A 65 1.159 1.170 -10.572 1.00 0.00 C ATOM 997 O THR A 65 0.766 1.607 -9.492 1.00 0.00 O ATOM 998 CB THR A 65 -0.732 1.923 -12.120 1.00 0.00 C ATOM 999 OG1 THR A 65 0.052 2.596 -13.101 1.00 0.00 O ATOM 1000 CG2 THR A 65 -0.943 2.973 -11.027 1.00 0.00 C ATOM 0 H THR A 65 -1.395 -0.015 -10.492 1.00 0.00 H new ATOM 0 HA THR A 65 0.761 0.445 -12.507 1.00 0.00 H new ATOM 0 HB THR A 65 -1.698 1.531 -12.438 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.451 3.359 -13.455 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.582 3.770 -11.407 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.417 2.508 -10.163 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.020 3.390 -10.732 1.00 0.00 H new ATOM 1008 N VAL A 66 2.433 1.007 -10.896 1.00 0.00 N ATOM 1009 CA VAL A 66 3.493 1.347 -9.962 1.00 0.00 C ATOM 1010 C VAL A 66 3.338 2.807 -9.531 1.00 0.00 C ATOM 1011 O VAL A 66 3.721 3.718 -10.263 1.00 0.00 O ATOM 1012 CB VAL A 66 4.857 1.050 -10.587 1.00 0.00 C ATOM 1013 CG1 VAL A 66 5.991 1.564 -9.698 1.00 0.00 C ATOM 1014 CG2 VAL A 66 5.017 -0.445 -10.870 1.00 0.00 C ATOM 0 H VAL A 66 2.755 0.644 -11.793 1.00 0.00 H new ATOM 0 HA VAL A 66 3.422 0.733 -9.064 1.00 0.00 H new ATOM 0 HB VAL A 66 4.911 1.579 -11.539 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.950 1.340 -10.165 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.893 2.642 -9.570 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.939 1.077 -8.724 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.995 -0.629 -11.314 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.931 -1.003 -9.938 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.239 -0.770 -11.560 1.00 0.00 H new ATOM 1024 N LEU A 67 2.775 2.983 -8.344 1.00 0.00 N ATOM 1025 CA LEU A 67 2.565 4.317 -7.807 1.00 0.00 C ATOM 1026 C LEU A 67 3.835 4.779 -7.089 1.00 0.00 C ATOM 1027 O LEU A 67 4.449 5.770 -7.482 1.00 0.00 O ATOM 1028 CB LEU A 67 1.315 4.348 -6.925 1.00 0.00 C ATOM 1029 CG LEU A 67 0.049 4.910 -7.577 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -1.102 4.976 -6.571 1.00 0.00 C ATOM 1031 CD2 LEU A 67 0.323 6.268 -8.225 1.00 0.00 C ATOM 0 H LEU A 67 2.458 2.225 -7.740 1.00 0.00 H new ATOM 0 HA LEU A 67 2.377 5.027 -8.613 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.107 3.332 -6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.536 4.939 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.257 4.230 -8.372 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.989 5.379 -7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.316 3.975 -6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.821 5.622 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.593 6.645 -8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.666 6.971 -7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.091 6.157 -8.991 1.00 0.00 H new ATOM 1043 N LEU A 68 4.192 4.039 -6.050 1.00 0.00 N ATOM 1044 CA LEU A 68 5.377 4.360 -5.274 1.00 0.00 C ATOM 1045 C LEU A 68 6.452 3.302 -5.531 1.00 0.00 C ATOM 1046 O LEU A 68 6.312 2.155 -5.109 1.00 0.00 O ATOM 1047 CB LEU A 68 5.021 4.529 -3.795 1.00 0.00 C ATOM 1048 CG LEU A 68 5.236 5.925 -3.208 1.00 0.00 C ATOM 1049 CD1 LEU A 68 4.570 6.052 -1.837 1.00 0.00 C ATOM 1050 CD2 LEU A 68 6.725 6.274 -3.157 1.00 0.00 C ATOM 0 H LEU A 68 3.681 3.217 -5.727 1.00 0.00 H new ATOM 0 HA LEU A 68 5.790 5.318 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.974 4.258 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.611 3.819 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 68 4.757 6.650 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.738 7.054 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.499 5.876 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.998 5.317 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.851 7.271 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.248 5.548 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.139 6.251 -4.165 1.00 0.00 H new ATOM 1062 N ALA A 69 7.501 3.725 -6.221 1.00 0.00 N ATOM 1063 CA ALA A 69 8.599 2.828 -6.539 1.00 0.00 C ATOM 1064 C ALA A 69 9.664 2.925 -5.445 1.00 0.00 C ATOM 1065 O ALA A 69 10.297 1.929 -5.100 1.00 0.00 O ATOM 1066 CB ALA A 69 9.152 3.169 -7.924 1.00 0.00 C ATOM 0 H ALA A 69 7.614 4.677 -6.569 1.00 0.00 H new ATOM 0 HA ALA A 69 8.254 1.795 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.976 2.496 -8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.364 3.056 -8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.511 4.198 -7.929 1.00 0.00 H new ATOM 1072 N SER A 70 9.830 4.135 -4.931 1.00 0.00 N ATOM 1073 CA SER A 70 10.808 4.375 -3.884 1.00 0.00 C ATOM 1074 C SER A 70 10.100 4.564 -2.540 1.00 0.00 C ATOM 1075 O SER A 70 9.576 5.641 -2.257 1.00 0.00 O ATOM 1076 CB SER A 70 11.670 5.597 -4.205 1.00 0.00 C ATOM 1077 OG SER A 70 11.886 6.415 -3.059 1.00 0.00 O ATOM 0 H SER A 70 9.304 4.959 -5.220 1.00 0.00 H new ATOM 0 HA SER A 70 11.464 3.507 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.631 5.269 -4.602 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.187 6.186 -4.985 1.00 0.00 H new ATOM 0 HG SER A 70 11.023 6.668 -2.670 1.00 0.00 H new ATOM 1083 N VAL A 71 10.107 3.502 -1.749 1.00 0.00 N ATOM 1084 CA VAL A 71 9.473 3.537 -0.442 1.00 0.00 C ATOM 1085 C VAL A 71 10.480 3.095 0.621 1.00 0.00 C ATOM 1086 O VAL A 71 11.365 2.287 0.345 1.00 0.00 O ATOM 1087 CB VAL A 71 8.203 2.684 -0.454 1.00 0.00 C ATOM 1088 CG1 VAL A 71 7.702 2.426 0.968 1.00 0.00 C ATOM 1089 CG2 VAL A 71 7.113 3.335 -1.310 1.00 0.00 C ATOM 0 H VAL A 71 10.542 2.611 -1.988 1.00 0.00 H new ATOM 0 HA VAL A 71 9.164 4.553 -0.194 1.00 0.00 H new ATOM 0 HB VAL A 71 8.450 1.721 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.798 1.818 0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.470 1.900 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.480 3.376 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.221 2.708 -1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.870 4.317 -0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.471 3.443 -2.334 1.00 0.00 H new ATOM 1099 N ASP A 72 10.311 3.643 1.815 1.00 0.00 N ATOM 1100 CA ASP A 72 11.194 3.315 2.921 1.00 0.00 C ATOM 1101 C ASP A 72 10.938 1.873 3.362 1.00 0.00 C ATOM 1102 O ASP A 72 9.789 1.449 3.478 1.00 0.00 O ATOM 1103 CB ASP A 72 10.936 4.229 4.122 1.00 0.00 C ATOM 1104 CG ASP A 72 12.014 5.284 4.375 1.00 0.00 C ATOM 1105 OD1 ASP A 72 11.937 6.344 3.717 1.00 0.00 O ATOM 1106 OD2 ASP A 72 12.892 5.006 5.221 1.00 0.00 O ATOM 0 H ASP A 72 9.575 4.312 2.041 1.00 0.00 H new ATOM 0 HA ASP A 72 12.222 3.446 2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.981 4.734 3.976 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.837 3.611 5.015 1.00 0.00 H new ATOM 1111 N PRO A 73 12.057 1.138 3.602 1.00 0.00 N ATOM 1112 CA PRO A 73 11.966 -0.248 4.027 1.00 0.00 C ATOM 1113 C PRO A 73 11.546 -0.345 5.495 1.00 0.00 C ATOM 1114 O PRO A 73 11.019 -1.369 5.927 1.00 0.00 O ATOM 1115 CB PRO A 73 13.344 -0.832 3.764 1.00 0.00 C ATOM 1116 CG PRO A 73 14.284 0.356 3.639 1.00 0.00 C ATOM 1117 CD PRO A 73 13.434 1.606 3.475 1.00 0.00 C ATOM 0 HA PRO A 73 11.202 -0.805 3.484 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.651 -1.489 4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.347 -1.430 2.853 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.916 0.437 4.523 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.947 0.230 2.783 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.671 2.349 4.236 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.605 2.076 2.507 1.00 0.00 H new ATOM 1125 N LYS A 74 11.795 0.735 6.221 1.00 0.00 N ATOM 1126 CA LYS A 74 11.449 0.785 7.631 1.00 0.00 C ATOM 1127 C LYS A 74 10.038 1.355 7.786 1.00 0.00 C ATOM 1128 O LYS A 74 9.603 1.652 8.898 1.00 0.00 O ATOM 1129 CB LYS A 74 12.513 1.554 8.417 1.00 0.00 C ATOM 1130 CG LYS A 74 13.504 0.595 9.080 1.00 0.00 C ATOM 1131 CD LYS A 74 14.911 0.778 8.506 1.00 0.00 C ATOM 1132 CE LYS A 74 14.881 0.791 6.976 1.00 0.00 C ATOM 1133 NZ LYS A 74 16.186 0.358 6.429 1.00 0.00 N ATOM 0 H LYS A 74 12.232 1.582 5.859 1.00 0.00 H new ATOM 0 HA LYS A 74 11.436 -0.219 8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.047 2.230 7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.034 2.171 9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.521 0.770 10.156 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.177 -0.434 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.339 1.711 8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 74 15.557 -0.028 8.854 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.092 0.131 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.645 1.794 6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.596 1.126 5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.830 0.124 7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.050 -0.481 5.830 1.00 0.00 H new ATOM 1147 N ALA A 75 9.362 1.492 6.655 1.00 0.00 N ATOM 1148 CA ALA A 75 8.009 2.022 6.651 1.00 0.00 C ATOM 1149 C ALA A 75 7.016 0.872 6.466 1.00 0.00 C ATOM 1150 O ALA A 75 7.166 0.058 5.556 1.00 0.00 O ATOM 1151 CB ALA A 75 7.880 3.085 5.558 1.00 0.00 C ATOM 0 H ALA A 75 9.726 1.245 5.735 1.00 0.00 H new ATOM 0 HA ALA A 75 7.783 2.504 7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.865 3.483 5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.586 3.893 5.751 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.097 2.638 4.588 1.00 0.00 H new ATOM 1157 N THR A 76 6.023 0.843 7.343 1.00 0.00 N ATOM 1158 CA THR A 76 5.006 -0.193 7.288 1.00 0.00 C ATOM 1159 C THR A 76 3.654 0.407 6.899 1.00 0.00 C ATOM 1160 O THR A 76 2.682 -0.320 6.700 1.00 0.00 O ATOM 1161 CB THR A 76 4.987 -0.910 8.639 1.00 0.00 C ATOM 1162 OG1 THR A 76 5.336 0.106 9.576 1.00 0.00 O ATOM 1163 CG2 THR A 76 6.110 -1.940 8.772 1.00 0.00 C ATOM 0 H THR A 76 5.901 1.521 8.096 1.00 0.00 H new ATOM 0 HA THR A 76 5.233 -0.929 6.517 1.00 0.00 H new ATOM 0 HB THR A 76 4.024 -1.403 8.774 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.346 -0.272 10.480 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.050 -2.419 9.749 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.007 -2.694 7.991 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.074 -1.442 8.671 1.00 0.00 H new ATOM 1171 N SER A 77 3.635 1.728 6.801 1.00 0.00 N ATOM 1172 CA SER A 77 2.418 2.435 6.440 1.00 0.00 C ATOM 1173 C SER A 77 2.736 3.544 5.435 1.00 0.00 C ATOM 1174 O SER A 77 3.819 4.127 5.471 1.00 0.00 O ATOM 1175 CB SER A 77 1.732 3.019 7.676 1.00 0.00 C ATOM 1176 OG SER A 77 2.660 3.658 8.549 1.00 0.00 O ATOM 0 H SER A 77 4.444 2.328 6.965 1.00 0.00 H new ATOM 0 HA SER A 77 1.732 1.723 5.981 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.974 3.737 7.364 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.216 2.224 8.214 1.00 0.00 H new ATOM 0 HG SER A 77 2.183 4.019 9.325 1.00 0.00 H new ATOM 1182 N VAL A 78 1.773 3.803 4.563 1.00 0.00 N ATOM 1183 CA VAL A 78 1.937 4.832 3.550 1.00 0.00 C ATOM 1184 C VAL A 78 0.599 5.542 3.330 1.00 0.00 C ATOM 1185 O VAL A 78 -0.461 4.942 3.498 1.00 0.00 O ATOM 1186 CB VAL A 78 2.506 4.219 2.269 1.00 0.00 C ATOM 1187 CG1 VAL A 78 1.436 3.426 1.518 1.00 0.00 C ATOM 1188 CG2 VAL A 78 3.121 5.297 1.373 1.00 0.00 C ATOM 0 H VAL A 78 0.876 3.318 4.537 1.00 0.00 H new ATOM 0 HA VAL A 78 2.654 5.584 3.881 1.00 0.00 H new ATOM 0 HB VAL A 78 3.298 3.526 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.867 3.001 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.065 2.623 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.612 4.088 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.518 4.836 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.356 6.025 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.927 5.799 1.908 1.00 0.00 H new ATOM 1198 N THR A 79 0.693 6.810 2.957 1.00 0.00 N ATOM 1199 CA THR A 79 -0.496 7.608 2.713 1.00 0.00 C ATOM 1200 C THR A 79 -0.525 8.090 1.261 1.00 0.00 C ATOM 1201 O THR A 79 0.294 8.916 0.861 1.00 0.00 O ATOM 1202 CB THR A 79 -0.519 8.748 3.732 1.00 0.00 C ATOM 1203 OG1 THR A 79 -0.623 8.087 4.990 1.00 0.00 O ATOM 1204 CG2 THR A 79 -1.795 9.587 3.645 1.00 0.00 C ATOM 0 H THR A 79 1.574 7.304 2.818 1.00 0.00 H new ATOM 0 HA THR A 79 -1.403 7.017 2.845 1.00 0.00 H new ATOM 0 HB THR A 79 0.348 9.390 3.577 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.548 7.795 5.130 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.759 10.382 4.390 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.875 10.025 2.650 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.661 8.952 3.833 1.00 0.00 H new ATOM 1212 N VAL A 80 -1.477 7.554 0.511 1.00 0.00 N ATOM 1213 CA VAL A 80 -1.624 7.919 -0.887 1.00 0.00 C ATOM 1214 C VAL A 80 -2.403 9.232 -0.988 1.00 0.00 C ATOM 1215 O VAL A 80 -3.247 9.523 -0.142 1.00 0.00 O ATOM 1216 CB VAL A 80 -2.279 6.774 -1.661 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -2.186 7.009 -3.171 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -1.661 5.428 -1.277 1.00 0.00 C ATOM 0 H VAL A 80 -2.155 6.869 0.846 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.648 8.085 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.334 6.747 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.659 6.180 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.694 7.939 -3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.139 7.075 -3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.145 4.631 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.595 5.439 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.802 5.254 -0.210 1.00 0.00 H new ATOM 1228 N LYS A 81 -2.092 9.990 -2.029 1.00 0.00 N ATOM 1229 CA LYS A 81 -2.752 11.265 -2.252 1.00 0.00 C ATOM 1230 C LYS A 81 -2.932 11.486 -3.755 1.00 0.00 C ATOM 1231 O LYS A 81 -2.138 10.997 -4.557 1.00 0.00 O ATOM 1232 CB LYS A 81 -1.992 12.392 -1.551 1.00 0.00 C ATOM 1233 CG LYS A 81 -2.094 12.259 -0.030 1.00 0.00 C ATOM 1234 CD LYS A 81 -1.161 13.249 0.671 1.00 0.00 C ATOM 1235 CE LYS A 81 -0.082 12.514 1.469 1.00 0.00 C ATOM 1236 NZ LYS A 81 0.182 13.211 2.748 1.00 0.00 N ATOM 0 H LYS A 81 -1.391 9.745 -2.728 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.748 11.260 -1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.945 12.371 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.394 13.356 -1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.122 12.436 0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.840 11.242 0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.693 13.899 -0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.739 13.889 1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.400 11.490 1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.836 12.456 0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.448 12.515 3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.958 13.891 2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.675 13.717 3.051 1.00 0.00 H new ATOM 1250 N GLY A 82 -3.980 12.223 -4.091 1.00 0.00 N ATOM 1251 CA GLY A 82 -4.274 12.515 -5.484 1.00 0.00 C ATOM 1252 C GLY A 82 -5.246 11.487 -6.066 1.00 0.00 C ATOM 1253 O GLY A 82 -5.255 11.250 -7.273 1.00 0.00 O ATOM 0 H GLY A 82 -4.636 12.627 -3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.702 13.514 -5.567 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.350 12.515 -6.062 1.00 0.00 H new ATOM 1257 N LEU A 83 -6.041 10.905 -5.181 1.00 0.00 N ATOM 1258 CA LEU A 83 -7.015 9.908 -5.593 1.00 0.00 C ATOM 1259 C LEU A 83 -8.262 10.611 -6.132 1.00 0.00 C ATOM 1260 O LEU A 83 -8.513 11.771 -5.809 1.00 0.00 O ATOM 1261 CB LEU A 83 -7.304 8.936 -4.446 1.00 0.00 C ATOM 1262 CG LEU A 83 -6.597 7.582 -4.520 1.00 0.00 C ATOM 1263 CD1 LEU A 83 -5.148 7.744 -4.984 1.00 0.00 C ATOM 1264 CD2 LEU A 83 -6.692 6.840 -3.186 1.00 0.00 C ATOM 0 H LEU A 83 -6.031 11.104 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.617 9.299 -6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.026 9.418 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.379 8.760 -4.407 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.107 6.971 -5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.669 6.766 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.132 8.201 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.610 8.381 -4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.181 5.880 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.223 7.437 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.740 6.673 -2.936 1.00 0.00 H new ATOM 1276 N VAL A 84 -9.011 9.879 -6.944 1.00 0.00 N ATOM 1277 CA VAL A 84 -10.225 10.419 -7.532 1.00 0.00 C ATOM 1278 C VAL A 84 -11.419 10.059 -6.644 1.00 0.00 C ATOM 1279 O VAL A 84 -11.564 8.911 -6.228 1.00 0.00 O ATOM 1280 CB VAL A 84 -10.378 9.920 -8.970 1.00 0.00 C ATOM 1281 CG1 VAL A 84 -11.758 10.271 -9.529 1.00 0.00 C ATOM 1282 CG2 VAL A 84 -9.266 10.475 -9.863 1.00 0.00 C ATOM 0 H VAL A 84 -8.800 8.917 -7.208 1.00 0.00 H new ATOM 0 HA VAL A 84 -10.173 11.507 -7.584 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.289 8.834 -8.959 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.840 9.905 -10.552 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.529 9.806 -8.914 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.890 11.353 -9.519 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.397 10.105 -10.880 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.310 11.564 -9.864 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.298 10.151 -9.482 1.00 0.00 H new ATOM 1292 N PRO A 85 -12.265 11.089 -6.374 1.00 0.00 N ATOM 1293 CA PRO A 85 -13.442 10.892 -5.544 1.00 0.00 C ATOM 1294 C PRO A 85 -14.536 10.148 -6.312 1.00 0.00 C ATOM 1295 O PRO A 85 -14.733 10.383 -7.503 1.00 0.00 O ATOM 1296 CB PRO A 85 -13.860 12.290 -5.118 1.00 0.00 C ATOM 1297 CG PRO A 85 -13.189 13.242 -6.095 1.00 0.00 C ATOM 1298 CD PRO A 85 -12.125 12.462 -6.850 1.00 0.00 C ATOM 0 HA PRO A 85 -13.244 10.267 -4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -14.944 12.400 -5.148 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -13.547 12.496 -4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -13.921 13.657 -6.787 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -12.741 14.082 -5.563 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -12.277 12.525 -7.927 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.128 12.852 -6.646 1.00 0.00 H new ATOM 1306 N ALA A 86 -15.221 9.267 -5.598 1.00 0.00 N ATOM 1307 CA ALA A 86 -16.290 8.487 -6.196 1.00 0.00 C ATOM 1308 C ALA A 86 -15.686 7.396 -7.082 1.00 0.00 C ATOM 1309 O ALA A 86 -16.124 7.197 -8.214 1.00 0.00 O ATOM 1310 CB ALA A 86 -17.226 9.416 -6.972 1.00 0.00 C ATOM 0 H ALA A 86 -15.056 9.076 -4.610 1.00 0.00 H new ATOM 0 HA ALA A 86 -16.883 7.995 -5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -18.029 8.831 -7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -17.651 10.154 -6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.665 9.925 -7.756 1.00 0.00 H new ATOM 1316 N ARG A 87 -14.689 6.717 -6.533 1.00 0.00 N ATOM 1317 CA ARG A 87 -14.020 5.651 -7.259 1.00 0.00 C ATOM 1318 C ARG A 87 -13.323 4.700 -6.284 1.00 0.00 C ATOM 1319 O ARG A 87 -12.832 5.127 -5.240 1.00 0.00 O ATOM 1320 CB ARG A 87 -12.987 6.215 -8.237 1.00 0.00 C ATOM 1321 CG ARG A 87 -13.637 6.575 -9.574 1.00 0.00 C ATOM 1322 CD ARG A 87 -12.580 6.767 -10.664 1.00 0.00 C ATOM 1323 NE ARG A 87 -13.210 7.300 -11.892 1.00 0.00 N ATOM 1324 CZ ARG A 87 -12.558 7.497 -13.046 1.00 0.00 C ATOM 1325 NH1 ARG A 87 -11.253 7.207 -13.137 1.00 0.00 N ATOM 1326 NH2 ARG A 87 -13.212 7.984 -14.110 1.00 0.00 N ATOM 0 H ARG A 87 -14.329 6.885 -5.594 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.778 5.107 -7.822 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.519 7.100 -7.806 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.196 5.483 -8.399 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.330 5.787 -9.869 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.221 7.489 -9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.807 7.452 -10.316 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.091 5.817 -10.879 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.203 7.532 -11.858 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.755 6.836 -12.328 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.757 7.357 -14.016 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.205 8.204 -14.041 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.716 8.134 -14.989 1.00 0.00 H new ATOM 1340 N SER A 88 -13.303 3.430 -6.659 1.00 0.00 N ATOM 1341 CA SER A 88 -12.675 2.415 -5.830 1.00 0.00 C ATOM 1342 C SER A 88 -11.163 2.413 -6.061 1.00 0.00 C ATOM 1343 O SER A 88 -10.695 2.782 -7.138 1.00 0.00 O ATOM 1344 CB SER A 88 -13.258 1.030 -6.118 1.00 0.00 C ATOM 1345 OG SER A 88 -14.569 0.880 -5.579 1.00 0.00 O ATOM 0 H SER A 88 -13.711 3.080 -7.526 1.00 0.00 H new ATOM 0 HA SER A 88 -12.876 2.654 -4.786 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.288 0.866 -7.195 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.604 0.267 -5.697 1.00 0.00 H new ATOM 0 HG SER A 88 -15.028 0.144 -6.035 1.00 0.00 H new ATOM 1351 N TYR A 89 -10.439 1.993 -5.034 1.00 0.00 N ATOM 1352 CA TYR A 89 -8.990 1.938 -5.112 1.00 0.00 C ATOM 1353 C TYR A 89 -8.443 0.750 -4.318 1.00 0.00 C ATOM 1354 O TYR A 89 -8.885 0.489 -3.200 1.00 0.00 O ATOM 1355 CB TYR A 89 -8.484 3.235 -4.478 1.00 0.00 C ATOM 1356 CG TYR A 89 -8.486 4.434 -5.429 1.00 0.00 C ATOM 1357 CD1 TYR A 89 -7.674 4.432 -6.544 1.00 0.00 C ATOM 1358 CD2 TYR A 89 -9.301 5.518 -5.171 1.00 0.00 C ATOM 1359 CE1 TYR A 89 -7.676 5.561 -7.439 1.00 0.00 C ATOM 1360 CE2 TYR A 89 -9.304 6.646 -6.065 1.00 0.00 C ATOM 1361 CZ TYR A 89 -8.491 6.612 -7.155 1.00 0.00 C ATOM 1362 OH TYR A 89 -8.493 7.678 -8.000 1.00 0.00 O ATOM 0 H TYR A 89 -10.830 1.687 -4.143 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.666 1.824 -6.146 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.103 3.470 -3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.470 3.077 -4.111 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.037 3.584 -6.746 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.937 5.520 -4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.045 5.572 -8.315 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.937 7.500 -5.875 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.286 7.375 -8.909 1.00 0.00 H new ATOM 1372 N GLN A 90 -7.488 0.061 -4.927 1.00 0.00 N ATOM 1373 CA GLN A 90 -6.876 -1.093 -4.292 1.00 0.00 C ATOM 1374 C GLN A 90 -5.360 -0.909 -4.204 1.00 0.00 C ATOM 1375 O GLN A 90 -4.708 -0.617 -5.206 1.00 0.00 O ATOM 1376 CB GLN A 90 -7.230 -2.381 -5.037 1.00 0.00 C ATOM 1377 CG GLN A 90 -8.618 -2.885 -4.634 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.048 -4.064 -5.509 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -8.623 -4.218 -6.642 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.914 -4.886 -4.921 1.00 0.00 N ATOM 0 H GLN A 90 -7.123 0.281 -5.854 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.271 -1.178 -3.280 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.202 -2.203 -6.112 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.485 -3.146 -4.821 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.609 -3.189 -3.587 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.343 -2.076 -4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.229 -4.699 -3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.262 -5.703 -5.422 1.00 0.00 H new ATOM 1389 N PHE A 91 -4.843 -1.087 -2.998 1.00 0.00 N ATOM 1390 CA PHE A 91 -3.415 -0.944 -2.766 1.00 0.00 C ATOM 1391 C PHE A 91 -2.772 -2.297 -2.459 1.00 0.00 C ATOM 1392 O PHE A 91 -3.442 -3.216 -1.990 1.00 0.00 O ATOM 1393 CB PHE A 91 -3.248 -0.026 -1.554 1.00 0.00 C ATOM 1394 CG PHE A 91 -3.692 1.418 -1.801 1.00 0.00 C ATOM 1395 CD1 PHE A 91 -3.088 2.159 -2.767 1.00 0.00 C ATOM 1396 CD2 PHE A 91 -4.691 1.959 -1.053 1.00 0.00 C ATOM 1397 CE1 PHE A 91 -3.499 3.499 -2.997 1.00 0.00 C ATOM 1398 CE2 PHE A 91 -5.103 3.299 -1.282 1.00 0.00 C ATOM 1399 CZ PHE A 91 -4.499 4.040 -2.249 1.00 0.00 C ATOM 0 H PHE A 91 -5.387 -1.329 -2.170 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.933 -0.536 -3.654 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.820 -0.434 -0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.201 -0.027 -1.252 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.295 1.729 -3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.171 1.370 -0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.019 4.088 -3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.896 3.729 -0.688 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.813 5.058 -2.424 1.00 0.00 H new ATOM 1409 N ARG A 92 -1.478 -2.378 -2.735 1.00 0.00 N ATOM 1410 CA ARG A 92 -0.736 -3.604 -2.494 1.00 0.00 C ATOM 1411 C ARG A 92 0.733 -3.420 -2.880 1.00 0.00 C ATOM 1412 O ARG A 92 1.051 -3.235 -4.053 1.00 0.00 O ATOM 1413 CB ARG A 92 -1.324 -4.769 -3.292 1.00 0.00 C ATOM 1414 CG ARG A 92 -1.530 -4.382 -4.757 1.00 0.00 C ATOM 1415 CD ARG A 92 -1.288 -5.578 -5.680 1.00 0.00 C ATOM 1416 NE ARG A 92 -0.399 -5.185 -6.795 1.00 0.00 N ATOM 1417 CZ ARG A 92 0.244 -6.056 -7.586 1.00 0.00 C ATOM 1418 NH1 ARG A 92 0.099 -7.373 -7.389 1.00 0.00 N ATOM 1419 NH2 ARG A 92 1.031 -5.609 -8.574 1.00 0.00 N ATOM 0 H ARG A 92 -0.925 -1.614 -3.123 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.810 -3.833 -1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.658 -5.630 -3.230 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.276 -5.070 -2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.544 -4.008 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.851 -3.571 -5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.839 -6.397 -5.118 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.237 -5.943 -6.072 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.267 -4.189 -6.973 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.501 -7.713 -6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.588 -8.036 -7.991 1.00 0.00 H new ATOM 0 HH21 ARG A 92 1.141 -4.606 -8.724 1.00 0.00 H new ATOM 0 HH22 ARG A 92 1.520 -6.272 -9.176 1.00 0.00 H new ATOM 1433 N LEU A 93 1.588 -3.477 -1.870 1.00 0.00 N ATOM 1434 CA LEU A 93 3.016 -3.319 -2.089 1.00 0.00 C ATOM 1435 C LEU A 93 3.717 -4.655 -1.838 1.00 0.00 C ATOM 1436 O LEU A 93 3.110 -5.592 -1.321 1.00 0.00 O ATOM 1437 CB LEU A 93 3.564 -2.169 -1.241 1.00 0.00 C ATOM 1438 CG LEU A 93 3.313 -2.267 0.265 1.00 0.00 C ATOM 1439 CD1 LEU A 93 4.296 -1.391 1.044 1.00 0.00 C ATOM 1440 CD2 LEU A 93 1.858 -1.933 0.601 1.00 0.00 C ATOM 0 H LEU A 93 1.320 -3.630 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 93 3.214 -3.044 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.639 -2.102 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.128 -1.238 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 93 3.487 -3.298 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.095 -1.480 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.316 -1.717 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.179 -0.352 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.706 -2.010 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.633 -0.918 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.197 -2.633 0.090 1.00 0.00 H new ATOM 1452 N CYS A 94 4.986 -4.702 -2.217 1.00 0.00 N ATOM 1453 CA CYS A 94 5.776 -5.908 -2.041 1.00 0.00 C ATOM 1454 C CYS A 94 7.079 -5.530 -1.333 1.00 0.00 C ATOM 1455 O CYS A 94 7.342 -4.352 -1.097 1.00 0.00 O ATOM 1456 CB CYS A 94 6.034 -6.616 -3.373 1.00 0.00 C ATOM 1457 SG CYS A 94 6.494 -5.391 -4.653 1.00 0.00 S ATOM 0 H CYS A 94 5.487 -3.923 -2.646 1.00 0.00 H new ATOM 0 HA CYS A 94 5.224 -6.621 -1.428 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.832 -7.349 -3.256 1.00 0.00 H new ATOM 0 HB3 CYS A 94 5.143 -7.161 -3.683 1.00 0.00 H new ATOM 0 HG CYS A 94 5.773 -5.584 -5.717 1.00 0.00 H new ATOM 1463 N ALA A 95 7.860 -6.552 -1.015 1.00 0.00 N ATOM 1464 CA ALA A 95 9.129 -6.341 -0.340 1.00 0.00 C ATOM 1465 C ALA A 95 10.269 -6.475 -1.352 1.00 0.00 C ATOM 1466 O ALA A 95 10.425 -7.519 -1.982 1.00 0.00 O ATOM 1467 CB ALA A 95 9.260 -7.331 0.820 1.00 0.00 C ATOM 0 H ALA A 95 7.639 -7.528 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 95 9.178 -5.337 0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.212 -7.173 1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.443 -7.176 1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.218 -8.350 0.435 1.00 0.00 H new ATOM 1473 N VAL A 96 11.036 -5.401 -1.476 1.00 0.00 N ATOM 1474 CA VAL A 96 12.156 -5.385 -2.400 1.00 0.00 C ATOM 1475 C VAL A 96 13.459 -5.227 -1.613 1.00 0.00 C ATOM 1476 O VAL A 96 13.581 -4.329 -0.782 1.00 0.00 O ATOM 1477 CB VAL A 96 11.954 -4.289 -3.449 1.00 0.00 C ATOM 1478 CG1 VAL A 96 13.232 -4.063 -4.259 1.00 0.00 C ATOM 1479 CG2 VAL A 96 10.775 -4.618 -4.366 1.00 0.00 C ATOM 0 H VAL A 96 10.903 -4.536 -0.952 1.00 0.00 H new ATOM 0 HA VAL A 96 12.217 -6.328 -2.943 1.00 0.00 H new ATOM 0 HB VAL A 96 11.722 -3.362 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.061 -3.279 -4.997 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.038 -3.762 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 96 13.508 -4.987 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.654 -3.823 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.965 -5.561 -4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.865 -4.705 -3.772 1.00 0.00 H new ATOM 1489 N ASN A 97 14.400 -6.114 -1.904 1.00 0.00 N ATOM 1490 CA ASN A 97 15.689 -6.084 -1.234 1.00 0.00 C ATOM 1491 C ASN A 97 16.790 -6.422 -2.240 1.00 0.00 C ATOM 1492 O ASN A 97 16.505 -6.853 -3.356 1.00 0.00 O ATOM 1493 CB ASN A 97 15.747 -7.115 -0.105 1.00 0.00 C ATOM 1494 CG ASN A 97 15.511 -8.529 -0.641 1.00 0.00 C ATOM 1495 OD1 ASN A 97 15.133 -8.732 -1.784 1.00 0.00 O ATOM 1496 ND2 ASN A 97 15.753 -9.491 0.244 1.00 0.00 N ATOM 0 H ASN A 97 14.295 -6.857 -2.594 1.00 0.00 H new ATOM 0 HA ASN A 97 15.830 -5.086 -0.819 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.718 -7.066 0.387 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.996 -6.878 0.648 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.624 -10.469 -0.017 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.067 -9.252 1.184 1.00 0.00 H new ATOM 1503 N ASP A 98 18.025 -6.213 -1.810 1.00 0.00 N ATOM 1504 CA ASP A 98 19.171 -6.490 -2.660 1.00 0.00 C ATOM 1505 C ASP A 98 18.930 -7.793 -3.424 1.00 0.00 C ATOM 1506 O ASP A 98 19.309 -7.913 -4.588 1.00 0.00 O ATOM 1507 CB ASP A 98 20.445 -6.657 -1.829 1.00 0.00 C ATOM 1508 CG ASP A 98 21.750 -6.589 -2.626 1.00 0.00 C ATOM 1509 OD1 ASP A 98 22.142 -5.456 -2.976 1.00 0.00 O ATOM 1510 OD2 ASP A 98 22.324 -7.673 -2.867 1.00 0.00 O ATOM 0 H ASP A 98 18.258 -5.855 -0.884 1.00 0.00 H new ATOM 0 HA ASP A 98 19.295 -5.651 -3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 98 20.465 -5.883 -1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 98 20.401 -7.616 -1.313 1.00 0.00 H new ATOM 1515 N VAL A 99 18.302 -8.736 -2.738 1.00 0.00 N ATOM 1516 CA VAL A 99 18.006 -10.026 -3.338 1.00 0.00 C ATOM 1517 C VAL A 99 17.154 -9.818 -4.592 1.00 0.00 C ATOM 1518 O VAL A 99 17.520 -10.267 -5.677 1.00 0.00 O ATOM 1519 CB VAL A 99 17.340 -10.942 -2.309 1.00 0.00 C ATOM 1520 CG1 VAL A 99 17.142 -12.350 -2.874 1.00 0.00 C ATOM 1521 CG2 VAL A 99 18.144 -10.980 -1.008 1.00 0.00 C ATOM 0 H VAL A 99 17.990 -8.633 -1.772 1.00 0.00 H new ATOM 0 HA VAL A 99 18.926 -10.522 -3.648 1.00 0.00 H new ATOM 0 HB VAL A 99 16.356 -10.532 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.667 -12.980 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.508 -12.301 -3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 99 18.110 -12.773 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 99 17.649 -11.638 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 99 19.147 -11.354 -1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 99 18.209 -9.975 -0.591 1.00 0.00 H new ATOM 1531 N GLY A 100 16.035 -9.135 -4.402 1.00 0.00 N ATOM 1532 CA GLY A 100 15.129 -8.861 -5.504 1.00 0.00 C ATOM 1533 C GLY A 100 13.692 -8.699 -5.005 1.00 0.00 C ATOM 1534 O GLY A 100 13.429 -8.814 -3.808 1.00 0.00 O ATOM 0 H GLY A 100 15.735 -8.763 -3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 100 15.443 -7.954 -6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.177 -9.673 -6.229 1.00 0.00 H new ATOM 1538 N LYS A 101 12.798 -8.434 -5.947 1.00 0.00 N ATOM 1539 CA LYS A 101 11.394 -8.254 -5.618 1.00 0.00 C ATOM 1540 C LYS A 101 10.804 -9.594 -5.173 1.00 0.00 C ATOM 1541 O LYS A 101 11.140 -10.639 -5.727 1.00 0.00 O ATOM 1542 CB LYS A 101 10.648 -7.612 -6.788 1.00 0.00 C ATOM 1543 CG LYS A 101 9.309 -7.029 -6.330 1.00 0.00 C ATOM 1544 CD LYS A 101 9.067 -5.654 -6.957 1.00 0.00 C ATOM 1545 CE LYS A 101 9.230 -5.708 -8.477 1.00 0.00 C ATOM 1546 NZ LYS A 101 8.399 -6.791 -9.049 1.00 0.00 N ATOM 0 H LYS A 101 13.019 -8.340 -6.938 1.00 0.00 H new ATOM 0 HA LYS A 101 11.284 -7.563 -4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.261 -6.824 -7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.478 -8.355 -7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.500 -7.706 -6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.298 -6.944 -5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.064 -5.308 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.767 -4.931 -6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.942 -4.752 -8.914 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.277 -5.872 -8.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.317 -6.660 -10.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.843 -7.710 -8.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.452 -6.765 -8.620 1.00 0.00 H new ATOM 1560 N GLY A 102 9.934 -9.519 -4.176 1.00 0.00 N ATOM 1561 CA GLY A 102 9.294 -10.713 -3.650 1.00 0.00 C ATOM 1562 C GLY A 102 7.862 -10.843 -4.173 1.00 0.00 C ATOM 1563 O GLY A 102 7.651 -11.186 -5.336 1.00 0.00 O ATOM 0 H GLY A 102 9.657 -8.650 -3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.870 -11.594 -3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.285 -10.675 -2.561 1.00 0.00 H new ATOM 1567 N GLN A 103 6.916 -10.562 -3.290 1.00 0.00 N ATOM 1568 CA GLN A 103 5.510 -10.643 -3.648 1.00 0.00 C ATOM 1569 C GLN A 103 4.748 -9.444 -3.080 1.00 0.00 C ATOM 1570 O GLN A 103 5.227 -8.776 -2.165 1.00 0.00 O ATOM 1571 CB GLN A 103 4.897 -11.960 -3.167 1.00 0.00 C ATOM 1572 CG GLN A 103 5.208 -12.202 -1.689 1.00 0.00 C ATOM 1573 CD GLN A 103 6.307 -13.255 -1.525 1.00 0.00 C ATOM 1574 OE1 GLN A 103 7.475 -12.948 -1.350 1.00 0.00 O ATOM 1575 NE2 GLN A 103 5.869 -14.509 -1.593 1.00 0.00 N ATOM 0 H GLN A 103 7.095 -10.278 -2.327 1.00 0.00 H new ATOM 0 HA GLN A 103 5.430 -10.618 -4.735 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.817 -11.939 -3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.285 -12.785 -3.764 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.521 -11.268 -1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.306 -12.529 -1.173 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.877 -14.695 -1.741 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.525 -15.284 -1.497 1.00 0.00 H new ATOM 1584 N PHE A 104 3.574 -9.207 -3.648 1.00 0.00 N ATOM 1585 CA PHE A 104 2.741 -8.100 -3.210 1.00 0.00 C ATOM 1586 C PHE A 104 1.646 -8.582 -2.256 1.00 0.00 C ATOM 1587 O PHE A 104 1.126 -9.686 -2.409 1.00 0.00 O ATOM 1588 CB PHE A 104 2.087 -7.510 -4.461 1.00 0.00 C ATOM 1589 CG PHE A 104 3.074 -6.847 -5.424 1.00 0.00 C ATOM 1590 CD1 PHE A 104 3.976 -7.605 -6.103 1.00 0.00 C ATOM 1591 CD2 PHE A 104 3.048 -5.499 -5.602 1.00 0.00 C ATOM 1592 CE1 PHE A 104 4.892 -6.990 -6.997 1.00 0.00 C ATOM 1593 CE2 PHE A 104 3.964 -4.883 -6.496 1.00 0.00 C ATOM 1594 CZ PHE A 104 4.866 -5.642 -7.175 1.00 0.00 C ATOM 0 H PHE A 104 3.180 -9.763 -4.407 1.00 0.00 H new ATOM 0 HA PHE A 104 3.348 -7.364 -2.682 1.00 0.00 H new ATOM 0 HB2 PHE A 104 1.556 -8.302 -4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.342 -6.775 -4.157 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.996 -8.676 -5.962 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.331 -4.897 -5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.609 -7.592 -7.535 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.944 -3.812 -6.637 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.562 -5.174 -7.856 1.00 0.00 H new ATOM 1604 N SER A 105 1.328 -7.729 -1.292 1.00 0.00 N ATOM 1605 CA SER A 105 0.305 -8.054 -0.313 1.00 0.00 C ATOM 1606 C SER A 105 -1.076 -8.024 -0.971 1.00 0.00 C ATOM 1607 O SER A 105 -1.324 -7.218 -1.866 1.00 0.00 O ATOM 1608 CB SER A 105 0.350 -7.088 0.872 1.00 0.00 C ATOM 1609 OG SER A 105 0.444 -5.730 0.450 1.00 0.00 O ATOM 0 H SER A 105 1.761 -6.814 -1.169 1.00 0.00 H new ATOM 0 HA SER A 105 0.499 -9.058 0.065 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.546 -7.218 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.203 -7.331 1.506 1.00 0.00 H new ATOM 0 HG SER A 105 0.309 -5.138 1.219 1.00 0.00 H new ATOM 1615 N LYS A 106 -1.940 -8.912 -0.501 1.00 0.00 N ATOM 1616 CA LYS A 106 -3.290 -8.998 -1.032 1.00 0.00 C ATOM 1617 C LYS A 106 -3.850 -7.586 -1.218 1.00 0.00 C ATOM 1618 O LYS A 106 -3.318 -6.625 -0.664 1.00 0.00 O ATOM 1619 CB LYS A 106 -4.159 -9.892 -0.146 1.00 0.00 C ATOM 1620 CG LYS A 106 -4.154 -11.336 -0.652 1.00 0.00 C ATOM 1621 CD LYS A 106 -2.735 -11.907 -0.667 1.00 0.00 C ATOM 1622 CE LYS A 106 -2.290 -12.306 0.742 1.00 0.00 C ATOM 1623 NZ LYS A 106 -1.243 -13.351 0.679 1.00 0.00 N ATOM 0 H LYS A 106 -1.731 -9.579 0.242 1.00 0.00 H new ATOM 0 HA LYS A 106 -3.284 -9.472 -2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -3.792 -9.861 0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -5.180 -9.512 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -4.790 -11.950 -0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.576 -11.375 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -2.695 -12.776 -1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -2.046 -11.167 -1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.909 -11.432 1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -3.145 -12.673 1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.953 -13.610 1.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -1.619 -14.190 0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.421 -12.988 0.156 1.00 0.00 H new ATOM 1637 N ASP A 107 -4.916 -7.505 -2.001 1.00 0.00 N ATOM 1638 CA ASP A 107 -5.554 -6.227 -2.267 1.00 0.00 C ATOM 1639 C ASP A 107 -6.437 -5.845 -1.077 1.00 0.00 C ATOM 1640 O ASP A 107 -7.475 -6.464 -0.846 1.00 0.00 O ATOM 1641 CB ASP A 107 -6.443 -6.304 -3.510 1.00 0.00 C ATOM 1642 CG ASP A 107 -5.727 -6.733 -4.792 1.00 0.00 C ATOM 1643 OD1 ASP A 107 -4.482 -6.620 -4.811 1.00 0.00 O ATOM 1644 OD2 ASP A 107 -6.440 -7.163 -5.724 1.00 0.00 O ATOM 0 H ASP A 107 -5.354 -8.304 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.771 -5.486 -2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.256 -7.004 -3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.897 -5.327 -3.675 1.00 0.00 H new ATOM 1649 N THR A 108 -5.992 -4.828 -0.354 1.00 0.00 N ATOM 1650 CA THR A 108 -6.728 -4.357 0.807 1.00 0.00 C ATOM 1651 C THR A 108 -8.222 -4.262 0.488 1.00 0.00 C ATOM 1652 O THR A 108 -8.604 -4.099 -0.670 1.00 0.00 O ATOM 1653 CB THR A 108 -6.116 -3.026 1.247 1.00 0.00 C ATOM 1654 OG1 THR A 108 -6.095 -2.243 0.056 1.00 0.00 O ATOM 1655 CG2 THR A 108 -4.640 -3.159 1.631 1.00 0.00 C ATOM 0 H THR A 108 -5.131 -4.317 -0.550 1.00 0.00 H new ATOM 0 HA THR A 108 -6.648 -5.059 1.637 1.00 0.00 H new ATOM 0 HB THR A 108 -6.678 -2.630 2.093 1.00 0.00 H new ATOM 0 HG1 THR A 108 -5.169 -2.125 -0.242 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.254 -2.186 1.935 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.541 -3.863 2.457 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.072 -3.522 0.774 1.00 0.00 H new ATOM 1663 N GLU A 109 -9.026 -4.368 1.536 1.00 0.00 N ATOM 1664 CA GLU A 109 -10.469 -4.297 1.382 1.00 0.00 C ATOM 1665 C GLU A 109 -10.846 -3.160 0.430 1.00 0.00 C ATOM 1666 O GLU A 109 -10.381 -2.033 0.589 1.00 0.00 O ATOM 1667 CB GLU A 109 -11.157 -4.127 2.738 1.00 0.00 C ATOM 1668 CG GLU A 109 -11.971 -5.370 3.100 1.00 0.00 C ATOM 1669 CD GLU A 109 -12.588 -5.236 4.494 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -11.862 -5.534 5.467 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -13.771 -4.837 4.554 1.00 0.00 O ATOM 0 H GLU A 109 -8.705 -4.502 2.495 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.815 -5.236 0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.409 -3.941 3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.811 -3.255 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.760 -5.520 2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.330 -6.251 3.065 1.00 0.00 H new ATOM 1678 N ARG A 110 -11.684 -3.497 -0.540 1.00 0.00 N ATOM 1679 CA ARG A 110 -12.128 -2.519 -1.518 1.00 0.00 C ATOM 1680 C ARG A 110 -12.349 -1.161 -0.848 1.00 0.00 C ATOM 1681 O ARG A 110 -13.340 -0.965 -0.146 1.00 0.00 O ATOM 1682 CB ARG A 110 -13.427 -2.965 -2.192 1.00 0.00 C ATOM 1683 CG ARG A 110 -13.468 -2.516 -3.654 1.00 0.00 C ATOM 1684 CD ARG A 110 -14.891 -2.595 -4.212 1.00 0.00 C ATOM 1685 NE ARG A 110 -15.087 -3.880 -4.919 1.00 0.00 N ATOM 1686 CZ ARG A 110 -14.489 -4.200 -6.075 1.00 0.00 C ATOM 1687 NH1 ARG A 110 -13.655 -3.331 -6.661 1.00 0.00 N ATOM 1688 NH2 ARG A 110 -14.726 -5.390 -6.645 1.00 0.00 N ATOM 0 H ARG A 110 -12.067 -4.434 -0.669 1.00 0.00 H new ATOM 0 HA ARG A 110 -11.350 -2.431 -2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -13.515 -4.050 -2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -14.280 -2.549 -1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -13.098 -1.494 -3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.805 -3.143 -4.250 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -15.614 -2.503 -3.401 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -15.069 -1.764 -4.895 1.00 0.00 H new ATOM 0 HE ARG A 110 -15.716 -4.565 -4.501 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -13.475 -2.425 -6.227 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -13.200 -3.575 -7.541 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -15.361 -6.052 -6.199 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -14.271 -5.634 -7.525 1.00 0.00 H new ATOM 1702 N VAL A 111 -11.410 -0.258 -1.089 1.00 0.00 N ATOM 1703 CA VAL A 111 -11.490 1.075 -0.518 1.00 0.00 C ATOM 1704 C VAL A 111 -12.080 2.034 -1.553 1.00 0.00 C ATOM 1705 O VAL A 111 -11.530 2.194 -2.642 1.00 0.00 O ATOM 1706 CB VAL A 111 -10.113 1.513 -0.015 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -10.198 2.850 0.723 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -9.485 0.435 0.872 1.00 0.00 C ATOM 0 H VAL A 111 -10.590 -0.424 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 111 -12.154 1.080 0.346 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.468 1.651 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.206 3.138 1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.582 3.615 0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.867 2.752 1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.507 0.771 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.129 0.251 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.371 -0.486 0.300 1.00 0.00 H new ATOM 1718 N SER A 112 -13.193 2.648 -1.178 1.00 0.00 N ATOM 1719 CA SER A 112 -13.864 3.587 -2.060 1.00 0.00 C ATOM 1720 C SER A 112 -13.697 5.013 -1.532 1.00 0.00 C ATOM 1721 O SER A 112 -13.717 5.237 -0.322 1.00 0.00 O ATOM 1722 CB SER A 112 -15.348 3.245 -2.203 1.00 0.00 C ATOM 1723 OG SER A 112 -16.112 4.359 -2.656 1.00 0.00 O ATOM 0 H SER A 112 -13.647 2.513 -0.275 1.00 0.00 H new ATOM 0 HA SER A 112 -13.406 3.516 -3.046 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.463 2.418 -2.903 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.736 2.906 -1.242 1.00 0.00 H new ATOM 0 HG SER A 112 -17.054 4.099 -2.736 1.00 0.00 H new ATOM 1729 N LEU A 113 -13.535 5.941 -2.464 1.00 0.00 N ATOM 1730 CA LEU A 113 -13.365 7.339 -2.107 1.00 0.00 C ATOM 1731 C LEU A 113 -14.722 8.042 -2.155 1.00 0.00 C ATOM 1732 O LEU A 113 -15.528 7.785 -3.049 1.00 0.00 O ATOM 1733 CB LEU A 113 -12.302 7.992 -2.993 1.00 0.00 C ATOM 1734 CG LEU A 113 -11.162 8.703 -2.260 1.00 0.00 C ATOM 1735 CD1 LEU A 113 -9.872 7.883 -2.327 1.00 0.00 C ATOM 1736 CD2 LEU A 113 -10.967 10.123 -2.796 1.00 0.00 C ATOM 0 H LEU A 113 -13.518 5.752 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 113 -12.995 7.429 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -11.871 7.224 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -12.794 8.714 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.434 8.790 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -9.078 8.410 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -10.034 6.911 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -9.584 7.743 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -10.151 10.606 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -10.727 10.081 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -11.884 10.695 -2.654 1.00 0.00 H new ATOM 1748 N PRO A 114 -14.940 8.940 -1.157 1.00 0.00 N ATOM 1749 CA PRO A 114 -16.186 9.683 -1.078 1.00 0.00 C ATOM 1750 C PRO A 114 -16.233 10.791 -2.132 1.00 0.00 C ATOM 1751 O PRO A 114 -15.419 11.713 -2.105 1.00 0.00 O ATOM 1752 CB PRO A 114 -16.237 10.214 0.346 1.00 0.00 C ATOM 1753 CG PRO A 114 -14.811 10.145 0.867 1.00 0.00 C ATOM 1754 CD PRO A 114 -14.009 9.271 -0.083 1.00 0.00 C ATOM 0 HA PRO A 114 -17.058 9.065 -1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -16.612 11.237 0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -16.908 9.615 0.962 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -14.377 11.143 0.925 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -14.793 9.730 1.875 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -13.135 9.799 -0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -13.645 8.373 0.417 1.00 0.00 H new ATOM 1762 N GLU A 115 -17.194 10.664 -3.035 1.00 0.00 N ATOM 1763 CA GLU A 115 -17.357 11.643 -4.096 1.00 0.00 C ATOM 1764 C GLU A 115 -17.071 13.051 -3.569 1.00 0.00 C ATOM 1765 O GLU A 115 -17.227 13.314 -2.377 1.00 0.00 O ATOM 1766 CB GLU A 115 -18.757 11.561 -4.707 1.00 0.00 C ATOM 1767 CG GLU A 115 -19.793 11.166 -3.653 1.00 0.00 C ATOM 1768 CD GLU A 115 -21.183 11.685 -4.029 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -21.603 11.404 -5.172 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -21.794 12.350 -3.165 1.00 0.00 O ATOM 0 H GLU A 115 -17.868 9.898 -3.054 1.00 0.00 H new ATOM 0 HA GLU A 115 -16.638 11.418 -4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.025 12.524 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.762 10.832 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.821 10.081 -3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.501 11.568 -2.683 1.00 0.00 H new