USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 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 76 ASN : amide:sc= -2.61 K(o=-6.1,f=-8.6!) USER MOD Set 1.2: A 77 ASN : amide:sc= -3.46 X(o=-6.1,f=-6.2!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -154:sc= -4.8! USER MOD Single : A 15 ASN : amide:sc= -1.34! C(o=-1.3!,f=-7.5!) USER MOD Single : A 17 TYR OH : rot 165:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.516 USER MOD Single : A 20 ASN : amide:sc= -0.0811 K(o=-0.081,f=-2.3!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.293 USER MOD Single : A 29 GLN : amide:sc= -2.28! C(o=-2.3!,f=-7.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -121:sc= -4.49! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.056) USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= -6.62! (180deg=-7.22!) USER MOD Single : A 44 ASN : amide:sc= -0.305 K(o=-0.31,f=-2.1!) USER MOD Single : A 62 TYR OH : rot -67:sc= -1.31! USER MOD Single : A 63 ASN : amide:sc= -3.29! C(o=-3.3!,f=-8.8!) USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= 0.541 (180deg=0.344) USER MOD Single : A 69 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.9!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.472 USER MOD Single : A 85 GLN : amide:sc= -0.209 K(o=-0.21,f=-2.3!) USER MOD Single : A 88 SER OG : rot -160:sc= -1.53! USER MOD Single : A 95 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=-0.0051) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 12 -8.525 -2.388 -12.490 1.00 0.00 N ATOM 160 CA LYS A 12 -9.410 -2.148 -11.319 1.00 0.00 C ATOM 161 C LYS A 12 -8.960 -0.855 -10.639 1.00 0.00 C ATOM 162 O LYS A 12 -8.095 -0.162 -11.137 1.00 0.00 O ATOM 163 CB LYS A 12 -9.292 -3.309 -10.335 1.00 0.00 C ATOM 164 CG LYS A 12 -10.626 -4.055 -10.265 1.00 0.00 C ATOM 165 CD LYS A 12 -10.725 -5.033 -11.436 1.00 0.00 C ATOM 166 CE LYS A 12 -12.071 -4.852 -12.141 1.00 0.00 C ATOM 167 NZ LYS A 12 -13.135 -5.553 -11.368 1.00 0.00 N ATOM 0 HA LYS A 12 -10.447 -2.066 -11.643 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.500 -3.988 -10.650 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.019 -2.937 -9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.705 -4.593 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.453 -3.346 -10.298 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.909 -4.860 -12.138 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.625 -6.057 -11.077 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.308 -3.792 -12.228 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.020 -5.251 -13.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.050 -5.430 -11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.909 -6.566 -11.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.189 -5.152 -10.410 1.00 0.00 H new ATOM 181 N ASP A 13 -9.520 -0.509 -9.512 1.00 0.00 N ATOM 182 CA ASP A 13 -9.071 0.750 -8.858 1.00 0.00 C ATOM 183 C ASP A 13 -9.343 0.724 -7.355 1.00 0.00 C ATOM 184 O ASP A 13 -10.355 1.203 -6.884 1.00 0.00 O ATOM 185 CB ASP A 13 -9.795 1.940 -9.487 1.00 0.00 C ATOM 186 CG ASP A 13 -11.285 1.622 -9.615 1.00 0.00 C ATOM 187 OD1 ASP A 13 -11.628 0.834 -10.480 1.00 0.00 O ATOM 188 OD2 ASP A 13 -12.056 2.169 -8.845 1.00 0.00 O ATOM 0 H ASP A 13 -10.251 -1.029 -9.026 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.996 0.845 -9.008 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.654 2.830 -8.874 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.373 2.158 -10.468 1.00 0.00 H new ATOM 193 N THR A 14 -8.426 0.195 -6.600 1.00 0.00 N ATOM 194 CA THR A 14 -8.592 0.159 -5.123 1.00 0.00 C ATOM 195 C THR A 14 -7.222 -0.072 -4.486 1.00 0.00 C ATOM 196 O THR A 14 -7.098 -0.731 -3.474 1.00 0.00 O ATOM 197 CB THR A 14 -9.537 -0.969 -4.728 1.00 0.00 C ATOM 198 OG1 THR A 14 -10.076 -1.570 -5.897 1.00 0.00 O ATOM 199 CG2 THR A 14 -10.672 -0.410 -3.868 1.00 0.00 C ATOM 0 H THR A 14 -7.560 -0.218 -6.946 1.00 0.00 H new ATOM 0 HA THR A 14 -9.014 1.103 -4.778 1.00 0.00 H new ATOM 0 HB THR A 14 -8.987 -1.718 -4.158 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.943 -1.976 -5.686 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.347 -1.218 -3.586 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.257 0.046 -2.969 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.222 0.341 -4.435 1.00 0.00 H new ATOM 207 N ASN A 15 -6.188 0.461 -5.084 1.00 0.00 N ATOM 208 CA ASN A 15 -4.817 0.272 -4.530 1.00 0.00 C ATOM 209 C ASN A 15 -4.654 1.197 -3.335 1.00 0.00 C ATOM 210 O ASN A 15 -5.603 1.813 -2.898 1.00 0.00 O ATOM 211 CB ASN A 15 -3.782 0.634 -5.602 1.00 0.00 C ATOM 212 CG ASN A 15 -3.737 2.153 -5.787 1.00 0.00 C ATOM 213 OD1 ASN A 15 -4.613 2.860 -5.329 1.00 0.00 O ATOM 214 ND2 ASN A 15 -2.744 2.687 -6.444 1.00 0.00 N ATOM 0 H ASN A 15 -6.236 1.021 -5.935 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.670 -0.765 -4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.799 0.265 -5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.037 0.151 -6.545 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.703 3.698 -6.573 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.009 2.093 -6.828 1.00 0.00 H new ATOM 221 N LEU A 16 -3.476 1.313 -2.798 1.00 0.00 N ATOM 222 CA LEU A 16 -3.306 2.220 -1.632 1.00 0.00 C ATOM 223 C LEU A 16 -1.857 2.673 -1.523 1.00 0.00 C ATOM 224 O LEU A 16 -0.952 1.880 -1.359 1.00 0.00 O ATOM 225 CB LEU A 16 -3.749 1.523 -0.335 1.00 0.00 C ATOM 226 CG LEU A 16 -2.906 0.273 -0.046 1.00 0.00 C ATOM 227 CD1 LEU A 16 -3.431 -0.388 1.230 1.00 0.00 C ATOM 228 CD2 LEU A 16 -3.037 -0.719 -1.202 1.00 0.00 C ATOM 0 H LEU A 16 -2.634 0.828 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.936 3.097 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.665 2.219 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.800 1.243 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.861 0.558 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.841 -1.278 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.352 0.312 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.475 -0.670 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.437 -1.604 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.082 -1.008 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.686 -0.253 -2.123 1.00 0.00 H new ATOM 240 N TYR A 17 -1.637 3.958 -1.604 1.00 0.00 N ATOM 241 CA TYR A 17 -0.252 4.480 -1.493 1.00 0.00 C ATOM 242 C TYR A 17 0.097 4.562 -0.010 1.00 0.00 C ATOM 243 O TYR A 17 -0.688 5.024 0.793 1.00 0.00 O ATOM 244 CB TYR A 17 -0.158 5.860 -2.179 1.00 0.00 C ATOM 245 CG TYR A 17 -0.067 6.981 -1.161 1.00 0.00 C ATOM 246 CD1 TYR A 17 1.117 7.166 -0.438 1.00 0.00 C ATOM 247 CD2 TYR A 17 -1.160 7.829 -0.944 1.00 0.00 C ATOM 248 CE1 TYR A 17 1.210 8.198 0.502 1.00 0.00 C ATOM 249 CE2 TYR A 17 -1.067 8.863 -0.003 1.00 0.00 C ATOM 250 CZ TYR A 17 0.119 9.046 0.719 1.00 0.00 C ATOM 251 OH TYR A 17 0.211 10.065 1.646 1.00 0.00 O ATOM 0 H TYR A 17 -2.359 4.665 -1.742 1.00 0.00 H new ATOM 0 HA TYR A 17 0.459 3.822 -1.993 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.716 5.886 -2.829 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.031 6.013 -2.813 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.960 6.512 -0.606 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.074 7.686 -1.501 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.124 8.340 1.060 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.909 9.518 0.165 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.524 10.699 1.509 1.00 0.00 H new ATOM 261 N VAL A 18 1.250 4.106 0.368 1.00 0.00 N ATOM 262 CA VAL A 18 1.606 4.153 1.807 1.00 0.00 C ATOM 263 C VAL A 18 2.636 5.245 2.067 1.00 0.00 C ATOM 264 O VAL A 18 3.441 5.570 1.222 1.00 0.00 O ATOM 265 CB VAL A 18 2.180 2.807 2.233 1.00 0.00 C ATOM 266 CG1 VAL A 18 1.253 1.684 1.763 1.00 0.00 C ATOM 267 CG2 VAL A 18 3.564 2.620 1.607 1.00 0.00 C ATOM 0 H VAL A 18 1.957 3.706 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 18 0.707 4.372 2.383 1.00 0.00 H new ATOM 0 HB VAL A 18 2.265 2.777 3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.664 0.722 2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.267 1.815 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.167 1.714 0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.974 1.657 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.479 2.651 0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.226 3.419 1.942 1.00 0.00 H new ATOM 277 N THR A 19 2.619 5.811 3.240 1.00 0.00 N ATOM 278 CA THR A 19 3.608 6.880 3.558 1.00 0.00 C ATOM 279 C THR A 19 4.533 6.401 4.681 1.00 0.00 C ATOM 280 O THR A 19 4.291 5.389 5.307 1.00 0.00 O ATOM 281 CB THR A 19 2.877 8.152 3.998 1.00 0.00 C ATOM 282 OG1 THR A 19 3.700 8.883 4.895 1.00 0.00 O ATOM 283 CG2 THR A 19 1.568 7.778 4.694 1.00 0.00 C ATOM 0 H THR A 19 1.967 5.582 3.990 1.00 0.00 H new ATOM 0 HA THR A 19 4.199 7.100 2.669 1.00 0.00 H new ATOM 0 HB THR A 19 2.658 8.765 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.234 9.698 5.176 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.050 8.685 5.006 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.936 7.218 4.004 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.783 7.164 5.568 1.00 0.00 H new ATOM 291 N ASN A 20 5.594 7.118 4.935 1.00 0.00 N ATOM 292 CA ASN A 20 6.539 6.700 6.011 1.00 0.00 C ATOM 293 C ASN A 20 7.124 5.326 5.670 1.00 0.00 C ATOM 294 O ASN A 20 6.778 4.330 6.270 1.00 0.00 O ATOM 295 CB ASN A 20 5.793 6.619 7.344 1.00 0.00 C ATOM 296 CG ASN A 20 5.550 8.030 7.878 1.00 0.00 C ATOM 297 OD1 ASN A 20 6.097 8.989 7.369 1.00 0.00 O ATOM 298 ND2 ASN A 20 4.746 8.199 8.891 1.00 0.00 N ATOM 0 H ASN A 20 5.848 7.975 4.444 1.00 0.00 H new ATOM 0 HA ASN A 20 7.345 7.430 6.090 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.844 6.101 7.211 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.373 6.041 8.063 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.576 9.136 9.256 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.287 7.394 9.318 1.00 0.00 H new ATOM 305 N LEU A 21 8.005 5.266 4.708 1.00 0.00 N ATOM 306 CA LEU A 21 8.607 3.956 4.330 1.00 0.00 C ATOM 307 C LEU A 21 10.116 4.128 4.130 1.00 0.00 C ATOM 308 O LEU A 21 10.545 4.831 3.236 1.00 0.00 O ATOM 309 CB LEU A 21 7.969 3.466 3.027 1.00 0.00 C ATOM 310 CG LEU A 21 7.867 1.940 3.046 1.00 0.00 C ATOM 311 CD1 LEU A 21 6.397 1.528 2.939 1.00 0.00 C ATOM 312 CD2 LEU A 21 8.643 1.364 1.860 1.00 0.00 C ATOM 0 H LEU A 21 8.333 6.067 4.168 1.00 0.00 H new ATOM 0 HA LEU A 21 8.428 3.227 5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.978 3.905 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.566 3.790 2.174 1.00 0.00 H new ATOM 0 HG LEU A 21 8.287 1.558 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.322 0.441 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.841 1.940 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.979 1.909 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.571 0.276 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.222 1.745 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.690 1.659 1.932 1.00 0.00 H new ATOM 324 N PRO A 22 10.870 3.479 4.975 1.00 0.00 N ATOM 325 CA PRO A 22 12.341 3.593 4.856 1.00 0.00 C ATOM 326 C PRO A 22 12.810 3.029 3.512 1.00 0.00 C ATOM 327 O PRO A 22 12.015 2.714 2.649 1.00 0.00 O ATOM 328 CB PRO A 22 12.883 2.749 6.009 1.00 0.00 C ATOM 329 CG PRO A 22 11.770 1.748 6.371 1.00 0.00 C ATOM 330 CD PRO A 22 10.460 2.329 5.815 1.00 0.00 C ATOM 0 HA PRO A 22 12.686 4.626 4.900 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.794 2.228 5.715 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.136 3.376 6.864 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.974 0.769 5.938 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.707 1.613 7.451 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.918 1.587 5.229 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.797 2.646 6.620 1.00 0.00 H new ATOM 338 N ARG A 23 14.095 2.898 3.329 1.00 0.00 N ATOM 339 CA ARG A 23 14.610 2.352 2.040 1.00 0.00 C ATOM 340 C ARG A 23 15.281 1.002 2.295 1.00 0.00 C ATOM 341 O ARG A 23 16.039 0.512 1.481 1.00 0.00 O ATOM 342 CB ARG A 23 15.633 3.316 1.425 1.00 0.00 C ATOM 343 CG ARG A 23 15.472 4.714 2.028 1.00 0.00 C ATOM 344 CD ARG A 23 16.607 5.615 1.533 1.00 0.00 C ATOM 345 NE ARG A 23 17.884 5.205 2.183 1.00 0.00 N ATOM 346 CZ ARG A 23 18.372 5.914 3.161 1.00 0.00 C ATOM 347 NH1 ARG A 23 17.570 6.466 4.029 1.00 0.00 N ATOM 348 NH2 ARG A 23 19.663 6.074 3.275 1.00 0.00 N ATOM 0 H ARG A 23 14.810 3.144 4.014 1.00 0.00 H new ATOM 0 HA ARG A 23 13.776 2.230 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 23 16.643 2.949 1.605 1.00 0.00 H new ATOM 0 HB3 ARG A 23 15.498 3.360 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 23 14.508 5.136 1.744 1.00 0.00 H new ATOM 0 HG3 ARG A 23 15.487 4.657 3.116 1.00 0.00 H new ATOM 0 HD2 ARG A 23 16.698 5.542 0.449 1.00 0.00 H new ATOM 0 HD3 ARG A 23 16.386 6.657 1.765 1.00 0.00 H new ATOM 0 HE ARG A 23 18.375 4.370 1.863 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.561 6.342 3.942 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.952 7.021 4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 23 20.292 5.643 2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 23 20.042 6.630 4.042 1.00 0.00 H new ATOM 362 N THR A 24 15.010 0.396 3.418 1.00 0.00 N ATOM 363 CA THR A 24 15.637 -0.922 3.718 1.00 0.00 C ATOM 364 C THR A 24 14.878 -2.021 2.973 1.00 0.00 C ATOM 365 O THR A 24 15.446 -2.761 2.196 1.00 0.00 O ATOM 366 CB THR A 24 15.573 -1.190 5.223 1.00 0.00 C ATOM 367 OG1 THR A 24 15.686 0.038 5.926 1.00 0.00 O ATOM 368 CG2 THR A 24 16.720 -2.119 5.626 1.00 0.00 C ATOM 0 H THR A 24 14.384 0.755 4.139 1.00 0.00 H new ATOM 0 HA THR A 24 16.679 -0.912 3.397 1.00 0.00 H new ATOM 0 HB THR A 24 14.622 -1.663 5.469 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.643 -0.132 6.890 1.00 0.00 H new ATOM 0 HG21 THR A 24 16.674 -2.310 6.698 1.00 0.00 H new ATOM 0 HG22 THR A 24 16.632 -3.062 5.086 1.00 0.00 H new ATOM 0 HG23 THR A 24 17.672 -1.648 5.382 1.00 0.00 H new ATOM 376 N ILE A 25 13.597 -2.127 3.198 1.00 0.00 N ATOM 377 CA ILE A 25 12.806 -3.174 2.494 1.00 0.00 C ATOM 378 C ILE A 25 12.435 -2.668 1.101 1.00 0.00 C ATOM 379 O ILE A 25 12.575 -1.502 0.793 1.00 0.00 O ATOM 380 CB ILE A 25 11.537 -3.487 3.292 1.00 0.00 C ATOM 381 CG1 ILE A 25 10.525 -4.222 2.408 1.00 0.00 C ATOM 382 CG2 ILE A 25 10.914 -2.187 3.802 1.00 0.00 C ATOM 383 CD1 ILE A 25 9.305 -4.603 3.248 1.00 0.00 C ATOM 0 H ILE A 25 13.066 -1.536 3.837 1.00 0.00 H new ATOM 0 HA ILE A 25 13.399 -4.084 2.404 1.00 0.00 H new ATOM 0 HB ILE A 25 11.802 -4.122 4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.224 -3.587 1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.980 -5.115 1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.011 -2.414 4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.626 -1.670 4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.660 -1.549 2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.582 -5.127 2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.615 -5.253 4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.847 -3.701 3.655 1.00 0.00 H new ATOM 395 N THR A 26 11.969 -3.540 0.256 1.00 0.00 N ATOM 396 CA THR A 26 11.597 -3.114 -1.124 1.00 0.00 C ATOM 397 C THR A 26 10.095 -3.308 -1.338 1.00 0.00 C ATOM 398 O THR A 26 9.495 -4.230 -0.821 1.00 0.00 O ATOM 399 CB THR A 26 12.367 -3.950 -2.154 1.00 0.00 C ATOM 400 OG1 THR A 26 11.540 -5.008 -2.617 1.00 0.00 O ATOM 401 CG2 THR A 26 13.633 -4.533 -1.519 1.00 0.00 C ATOM 0 H THR A 26 11.828 -4.530 0.458 1.00 0.00 H new ATOM 0 HA THR A 26 11.850 -2.061 -1.249 1.00 0.00 H new ATOM 0 HB THR A 26 12.651 -3.311 -2.990 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.030 -5.542 -3.276 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.172 -5.125 -2.259 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.271 -3.722 -1.169 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.358 -5.168 -0.677 1.00 0.00 H new ATOM 409 N ASP A 27 9.484 -2.447 -2.106 1.00 0.00 N ATOM 410 CA ASP A 27 8.024 -2.584 -2.361 1.00 0.00 C ATOM 411 C ASP A 27 7.755 -3.943 -3.012 1.00 0.00 C ATOM 412 O ASP A 27 6.835 -4.647 -2.644 1.00 0.00 O ATOM 413 CB ASP A 27 7.562 -1.464 -3.296 1.00 0.00 C ATOM 414 CG ASP A 27 8.098 -1.722 -4.706 1.00 0.00 C ATOM 415 OD1 ASP A 27 7.456 -2.460 -5.436 1.00 0.00 O ATOM 416 OD2 ASP A 27 9.139 -1.178 -5.031 1.00 0.00 O ATOM 0 H ASP A 27 9.933 -1.656 -2.567 1.00 0.00 H new ATOM 0 HA ASP A 27 7.477 -2.514 -1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.473 -1.416 -3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.918 -0.501 -2.931 1.00 0.00 H new ATOM 421 N ASP A 28 8.555 -4.322 -3.972 1.00 0.00 N ATOM 422 CA ASP A 28 8.346 -5.640 -4.636 1.00 0.00 C ATOM 423 C ASP A 28 8.421 -6.745 -3.583 1.00 0.00 C ATOM 424 O ASP A 28 7.862 -7.812 -3.744 1.00 0.00 O ATOM 425 CB ASP A 28 9.435 -5.866 -5.688 1.00 0.00 C ATOM 426 CG ASP A 28 9.399 -7.323 -6.155 1.00 0.00 C ATOM 427 OD1 ASP A 28 8.310 -7.854 -6.295 1.00 0.00 O ATOM 428 OD2 ASP A 28 10.463 -7.883 -6.363 1.00 0.00 O ATOM 0 H ASP A 28 9.342 -3.777 -4.324 1.00 0.00 H new ATOM 0 HA ASP A 28 7.370 -5.655 -5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.281 -5.198 -6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.414 -5.631 -5.270 1.00 0.00 H new ATOM 433 N GLN A 29 9.106 -6.494 -2.500 1.00 0.00 N ATOM 434 CA GLN A 29 9.217 -7.527 -1.433 1.00 0.00 C ATOM 435 C GLN A 29 7.887 -7.624 -0.688 1.00 0.00 C ATOM 436 O GLN A 29 7.430 -8.698 -0.352 1.00 0.00 O ATOM 437 CB GLN A 29 10.326 -7.138 -0.449 1.00 0.00 C ATOM 438 CG GLN A 29 11.558 -8.010 -0.695 1.00 0.00 C ATOM 439 CD GLN A 29 12.628 -7.687 0.350 1.00 0.00 C ATOM 440 OE1 GLN A 29 12.807 -6.543 0.720 1.00 0.00 O ATOM 441 NE2 GLN A 29 13.354 -8.653 0.847 1.00 0.00 N ATOM 0 H GLN A 29 9.593 -5.618 -2.309 1.00 0.00 H new ATOM 0 HA GLN A 29 9.459 -8.490 -1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.582 -6.086 -0.572 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.977 -7.264 0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.287 -9.064 -0.640 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.948 -7.833 -1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.205 -9.614 0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.069 -8.447 1.544 1.00 0.00 H new ATOM 450 N LEU A 30 7.261 -6.508 -0.429 1.00 0.00 N ATOM 451 CA LEU A 30 5.957 -6.535 0.293 1.00 0.00 C ATOM 452 C LEU A 30 5.090 -7.669 -0.264 1.00 0.00 C ATOM 453 O LEU A 30 4.615 -8.515 0.465 1.00 0.00 O ATOM 454 CB LEU A 30 5.233 -5.205 0.090 1.00 0.00 C ATOM 455 CG LEU A 30 5.412 -4.322 1.324 1.00 0.00 C ATOM 456 CD1 LEU A 30 6.903 -4.099 1.570 1.00 0.00 C ATOM 457 CD2 LEU A 30 4.732 -2.976 1.076 1.00 0.00 C ATOM 0 H LEU A 30 7.596 -5.579 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 30 6.136 -6.696 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.626 -4.698 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.173 -5.382 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 30 4.967 -4.805 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.036 -3.469 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.392 -5.059 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.346 -3.609 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.855 -2.339 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.185 -2.493 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.670 -3.134 0.889 1.00 0.00 H new ATOM 469 N ASP A 31 4.881 -7.686 -1.553 1.00 0.00 N ATOM 470 CA ASP A 31 4.044 -8.758 -2.165 1.00 0.00 C ATOM 471 C ASP A 31 4.376 -10.108 -1.523 1.00 0.00 C ATOM 472 O ASP A 31 3.499 -10.846 -1.119 1.00 0.00 O ATOM 473 CB ASP A 31 4.329 -8.829 -3.666 1.00 0.00 C ATOM 474 CG ASP A 31 3.022 -8.664 -4.441 1.00 0.00 C ATOM 475 OD1 ASP A 31 2.146 -7.975 -3.946 1.00 0.00 O ATOM 476 OD2 ASP A 31 2.919 -9.229 -5.518 1.00 0.00 O ATOM 0 H ASP A 31 5.255 -7.002 -2.210 1.00 0.00 H new ATOM 0 HA ASP A 31 2.991 -8.530 -1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.034 -8.048 -3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.793 -9.783 -3.914 1.00 0.00 H new ATOM 481 N THR A 32 5.634 -10.441 -1.431 1.00 0.00 N ATOM 482 CA THR A 32 6.018 -11.747 -0.824 1.00 0.00 C ATOM 483 C THR A 32 5.547 -11.807 0.631 1.00 0.00 C ATOM 484 O THR A 32 5.030 -12.811 1.082 1.00 0.00 O ATOM 485 CB THR A 32 7.539 -11.900 -0.867 1.00 0.00 C ATOM 486 OG1 THR A 32 7.973 -11.946 -2.220 1.00 0.00 O ATOM 487 CG2 THR A 32 7.939 -13.193 -0.155 1.00 0.00 C ATOM 0 H THR A 32 6.413 -9.865 -1.750 1.00 0.00 H new ATOM 0 HA THR A 32 5.548 -12.553 -1.388 1.00 0.00 H new ATOM 0 HB THR A 32 8.006 -11.051 -0.367 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.948 -12.042 -2.248 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.023 -13.304 -0.184 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.606 -13.155 0.882 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.473 -14.043 -0.655 1.00 0.00 H new ATOM 495 N ILE A 33 5.729 -10.751 1.374 1.00 0.00 N ATOM 496 CA ILE A 33 5.299 -10.766 2.801 1.00 0.00 C ATOM 497 C ILE A 33 3.801 -11.093 2.892 1.00 0.00 C ATOM 498 O ILE A 33 3.334 -11.606 3.890 1.00 0.00 O ATOM 499 CB ILE A 33 5.597 -9.405 3.442 1.00 0.00 C ATOM 500 CG1 ILE A 33 5.600 -9.549 4.965 1.00 0.00 C ATOM 501 CG2 ILE A 33 4.538 -8.383 3.033 1.00 0.00 C ATOM 502 CD1 ILE A 33 6.727 -10.491 5.385 1.00 0.00 C ATOM 0 H ILE A 33 6.156 -9.881 1.057 1.00 0.00 H new ATOM 0 HA ILE A 33 5.852 -11.535 3.340 1.00 0.00 H new ATOM 0 HB ILE A 33 6.573 -9.061 3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.733 -8.574 5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.641 -9.938 5.306 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.762 -7.422 3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.538 -8.273 1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.557 -8.724 3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.730 -10.594 6.470 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.573 -11.469 4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.683 -10.083 5.057 1.00 0.00 H new ATOM 514 N PHE A 34 3.041 -10.822 1.857 1.00 0.00 N ATOM 515 CA PHE A 34 1.581 -11.146 1.908 1.00 0.00 C ATOM 516 C PHE A 34 1.330 -12.485 1.209 1.00 0.00 C ATOM 517 O PHE A 34 1.064 -13.485 1.843 1.00 0.00 O ATOM 518 CB PHE A 34 0.757 -10.063 1.204 1.00 0.00 C ATOM 519 CG PHE A 34 1.379 -8.708 1.414 1.00 0.00 C ATOM 520 CD1 PHE A 34 1.618 -8.239 2.709 1.00 0.00 C ATOM 521 CD2 PHE A 34 1.710 -7.915 0.309 1.00 0.00 C ATOM 522 CE1 PHE A 34 2.189 -6.978 2.899 1.00 0.00 C ATOM 523 CE2 PHE A 34 2.279 -6.655 0.498 1.00 0.00 C ATOM 524 CZ PHE A 34 2.520 -6.185 1.792 1.00 0.00 C ATOM 0 H PHE A 34 3.365 -10.395 0.989 1.00 0.00 H new ATOM 0 HA PHE A 34 1.279 -11.200 2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.695 -10.280 0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.263 -10.065 1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.362 -8.851 3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.525 -8.279 -0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.375 -6.615 3.899 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.533 -6.043 -0.355 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.961 -5.210 1.939 1.00 0.00 H new ATOM 534 N GLY A 35 1.409 -12.510 -0.095 1.00 0.00 N ATOM 535 CA GLY A 35 1.171 -13.782 -0.833 1.00 0.00 C ATOM 536 C GLY A 35 0.420 -13.492 -2.137 1.00 0.00 C ATOM 537 O GLY A 35 1.008 -13.418 -3.197 1.00 0.00 O ATOM 0 H GLY A 35 1.628 -11.704 -0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.121 -14.270 -1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.593 -14.469 -0.215 1.00 0.00 H new ATOM 541 N LYS A 36 -0.874 -13.327 -2.067 1.00 0.00 N ATOM 542 CA LYS A 36 -1.655 -13.043 -3.303 1.00 0.00 C ATOM 543 C LYS A 36 -3.149 -13.068 -2.975 1.00 0.00 C ATOM 544 O LYS A 36 -3.738 -14.112 -2.777 1.00 0.00 O ATOM 545 CB LYS A 36 -1.345 -14.103 -4.362 1.00 0.00 C ATOM 546 CG LYS A 36 -0.906 -13.414 -5.655 1.00 0.00 C ATOM 547 CD LYS A 36 -1.913 -13.722 -6.764 1.00 0.00 C ATOM 548 CE LYS A 36 -1.279 -14.678 -7.774 1.00 0.00 C ATOM 549 NZ LYS A 36 -1.826 -16.050 -7.571 1.00 0.00 N ATOM 0 H LYS A 36 -1.422 -13.377 -1.208 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.382 -12.060 -3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.559 -14.769 -4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.226 -14.718 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.837 -12.337 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.087 -13.759 -5.944 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.813 -14.168 -6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.217 -12.800 -7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.484 -14.340 -8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.196 -14.685 -7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.395 -16.701 -8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.608 -16.371 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.857 -16.036 -7.707 1.00 0.00 H new ATOM 563 N TYR A 37 -3.765 -11.920 -2.915 1.00 0.00 N ATOM 564 CA TYR A 37 -5.226 -11.864 -2.597 1.00 0.00 C ATOM 565 C TYR A 37 -6.019 -11.816 -3.906 1.00 0.00 C ATOM 566 O TYR A 37 -6.478 -12.827 -4.402 1.00 0.00 O ATOM 567 CB TYR A 37 -5.545 -10.618 -1.745 1.00 0.00 C ATOM 568 CG TYR A 37 -4.273 -9.892 -1.374 1.00 0.00 C ATOM 569 CD1 TYR A 37 -3.741 -8.927 -2.237 1.00 0.00 C ATOM 570 CD2 TYR A 37 -3.626 -10.188 -0.169 1.00 0.00 C ATOM 571 CE1 TYR A 37 -2.561 -8.258 -1.894 1.00 0.00 C ATOM 572 CE2 TYR A 37 -2.448 -9.519 0.173 1.00 0.00 C ATOM 573 CZ TYR A 37 -1.916 -8.553 -0.689 1.00 0.00 C ATOM 574 OH TYR A 37 -0.755 -7.892 -0.350 1.00 0.00 O ATOM 0 H TYR A 37 -3.322 -11.015 -3.072 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.504 -12.751 -2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.204 -9.950 -2.300 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.078 -10.914 -0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.241 -8.699 -3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.037 -10.933 0.496 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.149 -7.514 -2.560 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.948 -9.747 1.103 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.034 -8.543 -0.221 1.00 0.00 H new ATOM 584 N GLY A 38 -6.171 -10.654 -4.477 1.00 0.00 N ATOM 585 CA GLY A 38 -6.919 -10.540 -5.762 1.00 0.00 C ATOM 586 C GLY A 38 -5.917 -10.480 -6.903 1.00 0.00 C ATOM 587 O GLY A 38 -5.466 -11.487 -7.413 1.00 0.00 O ATOM 0 H GLY A 38 -5.808 -9.775 -4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.586 -11.393 -5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.542 -9.646 -5.759 1.00 0.00 H new ATOM 591 N SER A 39 -5.557 -9.299 -7.292 1.00 0.00 N ATOM 592 CA SER A 39 -4.572 -9.132 -8.384 1.00 0.00 C ATOM 593 C SER A 39 -3.823 -7.832 -8.137 1.00 0.00 C ATOM 594 O SER A 39 -3.982 -6.878 -8.872 1.00 0.00 O ATOM 595 CB SER A 39 -5.297 -9.063 -9.728 1.00 0.00 C ATOM 596 OG SER A 39 -4.821 -10.104 -10.571 1.00 0.00 O ATOM 0 H SER A 39 -5.908 -8.428 -6.894 1.00 0.00 H new ATOM 0 HA SER A 39 -3.880 -9.974 -8.406 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.372 -9.162 -9.580 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.128 -8.094 -10.197 1.00 0.00 H new ATOM 0 HG SER A 39 -5.285 -10.064 -11.433 1.00 0.00 H new ATOM 602 N ILE A 40 -3.031 -7.793 -7.084 1.00 0.00 N ATOM 603 CA ILE A 40 -2.261 -6.554 -6.730 1.00 0.00 C ATOM 604 C ILE A 40 -2.066 -5.682 -7.993 1.00 0.00 C ATOM 605 O ILE A 40 -1.578 -6.132 -9.011 1.00 0.00 O ATOM 606 CB ILE A 40 -0.901 -6.925 -6.082 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.677 -8.452 -6.088 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.853 -6.413 -4.635 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.198 -9.064 -4.780 1.00 0.00 C ATOM 0 H ILE A 40 -2.886 -8.578 -6.449 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.826 -5.976 -5.998 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.112 -6.455 -6.669 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.191 -8.900 -6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.384 -8.672 -6.205 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.105 -6.677 -4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.970 -5.329 -4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.660 -6.868 -4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.036 -10.142 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.665 -8.627 -3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.264 -8.859 -4.681 1.00 0.00 H new ATOM 621 N VAL A 41 -2.524 -4.450 -7.936 1.00 0.00 N ATOM 622 CA VAL A 41 -2.471 -3.533 -9.126 1.00 0.00 C ATOM 623 C VAL A 41 -1.172 -2.704 -9.200 1.00 0.00 C ATOM 624 O VAL A 41 -1.209 -1.505 -9.395 1.00 0.00 O ATOM 625 CB VAL A 41 -3.670 -2.591 -9.028 1.00 0.00 C ATOM 626 CG1 VAL A 41 -4.934 -3.416 -8.773 1.00 0.00 C ATOM 627 CG2 VAL A 41 -3.472 -1.627 -7.861 1.00 0.00 C ATOM 0 H VAL A 41 -2.939 -4.035 -7.102 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.496 -4.142 -10.030 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.765 -2.029 -9.957 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.794 -2.751 -8.702 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.084 -4.116 -9.595 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.825 -3.970 -7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.329 -0.956 -7.794 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.380 -2.192 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.566 -1.043 -8.021 1.00 0.00 H new ATOM 637 N GLN A 42 -0.037 -3.338 -9.069 1.00 0.00 N ATOM 638 CA GLN A 42 1.275 -2.611 -9.161 1.00 0.00 C ATOM 639 C GLN A 42 1.663 -1.938 -7.828 1.00 0.00 C ATOM 640 O GLN A 42 0.972 -1.072 -7.330 1.00 0.00 O ATOM 641 CB GLN A 42 1.184 -1.543 -10.254 1.00 0.00 C ATOM 642 CG GLN A 42 2.518 -1.453 -10.993 1.00 0.00 C ATOM 643 CD GLN A 42 2.350 -2.007 -12.409 1.00 0.00 C ATOM 644 OE1 GLN A 42 2.929 -1.496 -13.347 1.00 0.00 O ATOM 645 NE2 GLN A 42 1.574 -3.039 -12.604 1.00 0.00 N ATOM 0 H GLN A 42 0.043 -4.341 -8.900 1.00 0.00 H new ATOM 0 HA GLN A 42 2.044 -3.345 -9.400 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.385 -1.791 -10.953 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.935 -0.578 -9.814 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.855 -0.417 -11.033 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.282 -2.017 -10.458 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.088 -3.468 -11.816 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.454 -3.416 -13.544 1.00 0.00 H new ATOM 654 N LYS A 43 2.800 -2.315 -7.272 1.00 0.00 N ATOM 655 CA LYS A 43 3.290 -1.688 -5.996 1.00 0.00 C ATOM 656 C LYS A 43 4.692 -1.138 -6.270 1.00 0.00 C ATOM 657 O LYS A 43 5.520 -1.813 -6.848 1.00 0.00 O ATOM 658 CB LYS A 43 3.381 -2.716 -4.856 1.00 0.00 C ATOM 659 CG LYS A 43 4.024 -4.011 -5.354 1.00 0.00 C ATOM 660 CD LYS A 43 4.473 -4.853 -4.152 1.00 0.00 C ATOM 661 CE LYS A 43 3.272 -5.588 -3.554 1.00 0.00 C ATOM 662 NZ LYS A 43 2.646 -4.746 -2.495 1.00 0.00 N ATOM 0 H LYS A 43 3.412 -3.036 -7.653 1.00 0.00 H new ATOM 0 HA LYS A 43 2.593 -0.908 -5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.966 -2.305 -4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.385 -2.924 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.314 -4.573 -5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.878 -3.784 -5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.232 -5.571 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.930 -4.212 -3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.544 -5.810 -4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.589 -6.542 -3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.017 -5.333 -1.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.389 -4.333 -1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.095 -3.984 -2.938 1.00 0.00 H new ATOM 676 N ASN A 44 4.975 0.075 -5.885 1.00 0.00 N ATOM 677 CA ASN A 44 6.332 0.622 -6.166 1.00 0.00 C ATOM 678 C ASN A 44 6.768 1.570 -5.051 1.00 0.00 C ATOM 679 O ASN A 44 5.970 2.284 -4.480 1.00 0.00 O ATOM 680 CB ASN A 44 6.297 1.387 -7.489 1.00 0.00 C ATOM 681 CG ASN A 44 7.567 1.094 -8.287 1.00 0.00 C ATOM 682 OD1 ASN A 44 8.148 0.033 -8.163 1.00 0.00 O ATOM 683 ND2 ASN A 44 8.025 1.997 -9.110 1.00 0.00 N ATOM 0 H ASN A 44 4.337 0.703 -5.396 1.00 0.00 H new ATOM 0 HA ASN A 44 7.042 -0.203 -6.224 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.419 1.096 -8.065 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.214 2.457 -7.299 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.871 1.813 -9.650 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.537 2.887 -9.214 1.00 0.00 H new ATOM 690 N ILE A 45 8.038 1.594 -4.755 1.00 0.00 N ATOM 691 CA ILE A 45 8.541 2.513 -3.697 1.00 0.00 C ATOM 692 C ILE A 45 8.962 3.821 -4.365 1.00 0.00 C ATOM 693 O ILE A 45 9.760 3.832 -5.281 1.00 0.00 O ATOM 694 CB ILE A 45 9.741 1.880 -2.988 1.00 0.00 C ATOM 695 CG1 ILE A 45 10.381 2.912 -2.054 1.00 0.00 C ATOM 696 CG2 ILE A 45 10.770 1.423 -4.023 1.00 0.00 C ATOM 697 CD1 ILE A 45 11.714 2.372 -1.535 1.00 0.00 C ATOM 0 H ILE A 45 8.750 1.016 -5.201 1.00 0.00 H new ATOM 0 HA ILE A 45 7.762 2.701 -2.958 1.00 0.00 H new ATOM 0 HB ILE A 45 9.406 1.019 -2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.539 3.851 -2.585 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.713 3.126 -1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.623 0.973 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.316 0.689 -4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.106 2.281 -4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.170 3.106 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.543 1.444 -0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.381 2.180 -2.376 1.00 0.00 H new ATOM 709 N LEU A 46 8.417 4.923 -3.934 1.00 0.00 N ATOM 710 CA LEU A 46 8.776 6.221 -4.571 1.00 0.00 C ATOM 711 C LEU A 46 9.670 7.037 -3.639 1.00 0.00 C ATOM 712 O LEU A 46 9.449 7.104 -2.445 1.00 0.00 O ATOM 713 CB LEU A 46 7.494 7.002 -4.870 1.00 0.00 C ATOM 714 CG LEU A 46 6.808 6.430 -6.118 1.00 0.00 C ATOM 715 CD1 LEU A 46 7.507 6.959 -7.373 1.00 0.00 C ATOM 716 CD2 LEU A 46 6.883 4.899 -6.107 1.00 0.00 C ATOM 0 H LEU A 46 7.742 4.982 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 46 9.318 6.031 -5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.818 6.947 -4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.728 8.055 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 46 5.762 6.738 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.020 6.553 -8.259 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.446 8.047 -7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.553 6.654 -7.362 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.393 4.504 -6.997 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.927 4.586 -6.098 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.382 4.517 -5.218 1.00 0.00 H new ATOM 728 N ARG A 47 10.676 7.665 -4.182 1.00 0.00 N ATOM 729 CA ARG A 47 11.590 8.488 -3.344 1.00 0.00 C ATOM 730 C ARG A 47 11.505 9.947 -3.798 1.00 0.00 C ATOM 731 O ARG A 47 11.115 10.821 -3.050 1.00 0.00 O ATOM 732 CB ARG A 47 13.027 7.982 -3.508 1.00 0.00 C ATOM 733 CG ARG A 47 13.099 6.508 -3.101 1.00 0.00 C ATOM 734 CD ARG A 47 14.361 5.874 -3.694 1.00 0.00 C ATOM 735 NE ARG A 47 15.546 6.257 -2.873 1.00 0.00 N ATOM 736 CZ ARG A 47 16.742 6.215 -3.395 1.00 0.00 C ATOM 737 NH1 ARG A 47 17.290 5.066 -3.682 1.00 0.00 N ATOM 738 NH2 ARG A 47 17.391 7.324 -3.627 1.00 0.00 N ATOM 0 H ARG A 47 10.905 7.643 -5.176 1.00 0.00 H new ATOM 0 HA ARG A 47 11.299 8.412 -2.296 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.350 8.101 -4.542 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.705 8.574 -2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.111 6.420 -2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.214 5.979 -3.454 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.258 4.789 -3.719 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.497 6.205 -4.724 1.00 0.00 H new ATOM 0 HE ARG A 47 15.422 6.552 -1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.784 4.200 -3.499 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.224 5.034 -4.090 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.964 8.222 -3.400 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.325 7.292 -4.035 1.00 0.00 H new ATOM 888 N GLY A 56 10.195 9.453 1.896 1.00 0.00 N ATOM 889 CA GLY A 56 10.233 8.062 1.361 1.00 0.00 C ATOM 890 C GLY A 56 8.809 7.509 1.287 1.00 0.00 C ATOM 891 O GLY A 56 8.305 6.938 2.234 1.00 0.00 O ATOM 0 HA2 GLY A 56 10.691 8.053 0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.848 7.430 2.002 1.00 0.00 H new ATOM 895 N VAL A 57 8.153 7.675 0.171 1.00 0.00 N ATOM 896 CA VAL A 57 6.760 7.159 0.046 1.00 0.00 C ATOM 897 C VAL A 57 6.778 5.793 -0.642 1.00 0.00 C ATOM 898 O VAL A 57 7.795 5.345 -1.132 1.00 0.00 O ATOM 899 CB VAL A 57 5.920 8.137 -0.780 1.00 0.00 C ATOM 900 CG1 VAL A 57 5.458 9.291 0.112 1.00 0.00 C ATOM 901 CG2 VAL A 57 6.759 8.691 -1.934 1.00 0.00 C ATOM 0 H VAL A 57 8.520 8.144 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 57 6.324 7.058 1.040 1.00 0.00 H new ATOM 0 HB VAL A 57 5.052 7.615 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.860 9.988 -0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.857 8.899 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.328 9.810 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.158 9.387 -2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.629 9.211 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.088 7.870 -2.571 1.00 0.00 H new ATOM 911 N ALA A 58 5.656 5.129 -0.683 1.00 0.00 N ATOM 912 CA ALA A 58 5.598 3.794 -1.338 1.00 0.00 C ATOM 913 C ALA A 58 4.219 3.598 -1.962 1.00 0.00 C ATOM 914 O ALA A 58 3.369 4.464 -1.903 1.00 0.00 O ATOM 915 CB ALA A 58 5.838 2.692 -0.303 1.00 0.00 C ATOM 0 H ALA A 58 4.774 5.456 -0.289 1.00 0.00 H new ATOM 0 HA ALA A 58 6.368 3.741 -2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.794 1.718 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.820 2.826 0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.071 2.745 0.470 1.00 0.00 H new ATOM 921 N PHE A 59 3.994 2.467 -2.564 1.00 0.00 N ATOM 922 CA PHE A 59 2.676 2.212 -3.202 1.00 0.00 C ATOM 923 C PHE A 59 2.391 0.712 -3.211 1.00 0.00 C ATOM 924 O PHE A 59 3.073 -0.043 -3.870 1.00 0.00 O ATOM 925 CB PHE A 59 2.724 2.705 -4.649 1.00 0.00 C ATOM 926 CG PHE A 59 2.020 4.033 -4.771 1.00 0.00 C ATOM 927 CD1 PHE A 59 2.729 5.222 -4.563 1.00 0.00 C ATOM 928 CD2 PHE A 59 0.662 4.075 -5.107 1.00 0.00 C ATOM 929 CE1 PHE A 59 2.078 6.455 -4.688 1.00 0.00 C ATOM 930 CE2 PHE A 59 0.012 5.308 -5.234 1.00 0.00 C ATOM 931 CZ PHE A 59 0.719 6.498 -5.025 1.00 0.00 C ATOM 0 H PHE A 59 4.668 1.706 -2.642 1.00 0.00 H new ATOM 0 HA PHE A 59 1.897 2.732 -2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.760 2.803 -4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.253 1.974 -5.306 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.777 5.188 -4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.116 3.157 -5.268 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.623 7.373 -4.525 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.036 5.341 -5.493 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.217 7.449 -5.124 1.00 0.00 H new ATOM 941 N VAL A 60 1.381 0.261 -2.521 1.00 0.00 N ATOM 942 CA VAL A 60 1.084 -1.195 -2.568 1.00 0.00 C ATOM 943 C VAL A 60 -0.062 -1.401 -3.544 1.00 0.00 C ATOM 944 O VAL A 60 -0.861 -0.514 -3.790 1.00 0.00 O ATOM 945 CB VAL A 60 0.734 -1.749 -1.164 1.00 0.00 C ATOM 946 CG1 VAL A 60 -0.536 -2.627 -1.194 1.00 0.00 C ATOM 947 CG2 VAL A 60 1.893 -2.614 -0.671 1.00 0.00 C ATOM 0 H VAL A 60 0.761 0.824 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 60 1.965 -1.744 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 60 0.557 -0.899 -0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.747 -2.996 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.380 -2.034 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.379 -3.471 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.657 -3.009 0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.051 -3.440 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.799 -2.010 -0.614 1.00 0.00 H new ATOM 957 N ARG A 61 -0.128 -2.557 -4.115 1.00 0.00 N ATOM 958 CA ARG A 61 -1.190 -2.830 -5.101 1.00 0.00 C ATOM 959 C ARG A 61 -2.386 -3.515 -4.451 1.00 0.00 C ATOM 960 O ARG A 61 -2.260 -4.477 -3.721 1.00 0.00 O ATOM 961 CB ARG A 61 -0.651 -3.736 -6.201 1.00 0.00 C ATOM 962 CG ARG A 61 0.834 -4.068 -5.997 1.00 0.00 C ATOM 963 CD ARG A 61 1.347 -4.891 -7.186 1.00 0.00 C ATOM 964 NE ARG A 61 2.048 -6.111 -6.702 1.00 0.00 N ATOM 965 CZ ARG A 61 2.965 -6.670 -7.442 1.00 0.00 C ATOM 966 NH1 ARG A 61 3.991 -5.973 -7.848 1.00 0.00 N ATOM 967 NH2 ARG A 61 2.852 -7.924 -7.782 1.00 0.00 N ATOM 0 H ARG A 61 0.513 -3.331 -3.940 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.511 -1.875 -5.516 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.229 -4.660 -6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.784 -3.251 -7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.412 -3.149 -5.902 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.968 -4.627 -5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.513 -5.173 -7.829 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.026 -4.288 -7.789 1.00 0.00 H new ATOM 0 HE ARG A 61 1.812 -6.509 -5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.076 -4.991 -7.587 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.708 -6.411 -8.427 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.047 -8.467 -7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.569 -8.362 -8.361 1.00 0.00 H new ATOM 981 N TYR A 62 -3.550 -3.025 -4.738 1.00 0.00 N ATOM 982 CA TYR A 62 -4.779 -3.636 -4.183 1.00 0.00 C ATOM 983 C TYR A 62 -5.968 -3.141 -4.996 1.00 0.00 C ATOM 984 O TYR A 62 -5.978 -2.023 -5.461 1.00 0.00 O ATOM 985 CB TYR A 62 -4.941 -3.226 -2.721 1.00 0.00 C ATOM 986 CG TYR A 62 -4.763 -4.440 -1.842 1.00 0.00 C ATOM 987 CD1 TYR A 62 -3.490 -4.786 -1.372 1.00 0.00 C ATOM 988 CD2 TYR A 62 -5.872 -5.221 -1.499 1.00 0.00 C ATOM 989 CE1 TYR A 62 -3.330 -5.914 -0.557 1.00 0.00 C ATOM 990 CE2 TYR A 62 -5.711 -6.346 -0.686 1.00 0.00 C ATOM 991 CZ TYR A 62 -4.442 -6.693 -0.214 1.00 0.00 C ATOM 992 OH TYR A 62 -4.288 -7.802 0.589 1.00 0.00 O ATOM 0 H TYR A 62 -3.705 -2.217 -5.341 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.718 -4.723 -4.236 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.207 -2.463 -2.461 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -5.926 -2.788 -2.561 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.633 -4.184 -1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.853 -4.954 -1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.349 -6.183 -0.193 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.568 -6.948 -0.422 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.769 -8.482 0.111 1.00 0.00 H new ATOM 1002 N ASN A 63 -6.978 -3.942 -5.167 1.00 0.00 N ATOM 1003 CA ASN A 63 -8.154 -3.470 -5.928 1.00 0.00 C ATOM 1004 C ASN A 63 -9.411 -3.946 -5.194 1.00 0.00 C ATOM 1005 O ASN A 63 -9.608 -3.585 -4.057 1.00 0.00 O ATOM 1006 CB ASN A 63 -8.115 -4.000 -7.360 1.00 0.00 C ATOM 1007 CG ASN A 63 -7.777 -5.491 -7.355 1.00 0.00 C ATOM 1008 OD1 ASN A 63 -7.922 -6.156 -6.350 1.00 0.00 O ATOM 1009 ND2 ASN A 63 -7.332 -6.048 -8.449 1.00 0.00 N ATOM 0 H ASN A 63 -7.037 -4.897 -4.814 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.154 -2.382 -5.991 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.079 -3.839 -7.843 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.372 -3.452 -7.940 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.106 -7.043 -8.459 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.210 -5.488 -9.293 1.00 0.00 H new ATOM 1016 N LYS A 64 -10.242 -4.757 -5.823 1.00 0.00 N ATOM 1017 CA LYS A 64 -11.501 -5.274 -5.163 1.00 0.00 C ATOM 1018 C LYS A 64 -11.769 -4.537 -3.847 1.00 0.00 C ATOM 1019 O LYS A 64 -11.114 -4.783 -2.860 1.00 0.00 O ATOM 1020 CB LYS A 64 -11.347 -6.771 -4.877 1.00 0.00 C ATOM 1021 CG LYS A 64 -12.455 -7.546 -5.594 1.00 0.00 C ATOM 1022 CD LYS A 64 -11.869 -8.808 -6.231 1.00 0.00 C ATOM 1023 CE LYS A 64 -12.567 -10.044 -5.658 1.00 0.00 C ATOM 1024 NZ LYS A 64 -12.177 -10.216 -4.230 1.00 0.00 N ATOM 0 H LYS A 64 -10.101 -5.088 -6.778 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.340 -5.103 -5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.370 -7.118 -5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.397 -6.954 -3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.241 -7.814 -4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.914 -6.920 -6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.997 -8.774 -7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.797 -8.861 -6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.648 -9.935 -5.740 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.291 -10.929 -6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.419 -11.178 -3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.153 -10.067 -4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.687 -9.523 -3.645 1.00 0.00 H new ATOM 1038 N ARG A 65 -12.702 -3.619 -3.840 1.00 0.00 N ATOM 1039 CA ARG A 65 -13.000 -2.828 -2.601 1.00 0.00 C ATOM 1040 C ARG A 65 -12.686 -3.641 -1.339 1.00 0.00 C ATOM 1041 O ARG A 65 -11.868 -3.248 -0.527 1.00 0.00 O ATOM 1042 CB ARG A 65 -14.478 -2.433 -2.596 1.00 0.00 C ATOM 1043 CG ARG A 65 -14.621 -0.971 -3.026 1.00 0.00 C ATOM 1044 CD ARG A 65 -14.409 -0.858 -4.538 1.00 0.00 C ATOM 1045 NE ARG A 65 -15.729 -0.865 -5.229 1.00 0.00 N ATOM 1046 CZ ARG A 65 -16.156 0.210 -5.832 1.00 0.00 C ATOM 1047 NH1 ARG A 65 -16.716 1.167 -5.143 1.00 0.00 N ATOM 1048 NH2 ARG A 65 -16.024 0.329 -7.125 1.00 0.00 N ATOM 0 H ARG A 65 -13.278 -3.379 -4.647 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.373 -1.937 -2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.039 -3.078 -3.272 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.899 -2.572 -1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -15.609 -0.598 -2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.893 -0.354 -2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.869 0.060 -4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.797 -1.687 -4.893 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.299 -1.711 -5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -16.820 1.074 -4.133 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -17.050 2.007 -5.615 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.587 -0.419 -7.664 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -16.358 1.170 -7.597 1.00 0.00 H new ATOM 1062 N GLU A 66 -13.312 -4.772 -1.164 1.00 0.00 N ATOM 1063 CA GLU A 66 -13.019 -5.588 0.045 1.00 0.00 C ATOM 1064 C GLU A 66 -11.511 -5.830 0.119 1.00 0.00 C ATOM 1065 O GLU A 66 -10.881 -5.603 1.134 1.00 0.00 O ATOM 1066 CB GLU A 66 -13.757 -6.926 -0.047 1.00 0.00 C ATOM 1067 CG GLU A 66 -14.425 -7.236 1.295 1.00 0.00 C ATOM 1068 CD GLU A 66 -15.720 -8.013 1.054 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -16.678 -7.404 0.606 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -15.732 -9.203 1.321 1.00 0.00 O ATOM 0 H GLU A 66 -14.007 -5.163 -1.800 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.352 -5.063 0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.507 -6.886 -0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.059 -7.721 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.751 -7.818 1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.638 -6.310 1.829 1.00 0.00 H new ATOM 1077 N GLU A 67 -10.928 -6.287 -0.955 1.00 0.00 N ATOM 1078 CA GLU A 67 -9.460 -6.544 -0.968 1.00 0.00 C ATOM 1079 C GLU A 67 -8.701 -5.326 -0.429 1.00 0.00 C ATOM 1080 O GLU A 67 -7.845 -5.452 0.423 1.00 0.00 O ATOM 1081 CB GLU A 67 -9.005 -6.837 -2.397 1.00 0.00 C ATOM 1082 CG GLU A 67 -9.424 -8.258 -2.775 1.00 0.00 C ATOM 1083 CD GLU A 67 -8.907 -8.590 -4.175 1.00 0.00 C ATOM 1084 OE1 GLU A 67 -8.141 -7.803 -4.705 1.00 0.00 O ATOM 1085 OE2 GLU A 67 -9.287 -9.628 -4.693 1.00 0.00 O ATOM 0 H GLU A 67 -11.409 -6.495 -1.830 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.247 -7.403 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.447 -6.119 -3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.923 -6.730 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.027 -8.970 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.510 -8.347 -2.747 1.00 0.00 H new ATOM 1092 N ALA A 68 -8.993 -4.142 -0.902 1.00 0.00 N ATOM 1093 CA ALA A 68 -8.257 -2.962 -0.374 1.00 0.00 C ATOM 1094 C ALA A 68 -8.291 -3.027 1.148 1.00 0.00 C ATOM 1095 O ALA A 68 -7.287 -2.867 1.807 1.00 0.00 O ATOM 1096 CB ALA A 68 -8.910 -1.664 -0.849 1.00 0.00 C ATOM 0 H ALA A 68 -9.695 -3.946 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.229 -2.976 -0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.357 -0.812 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.899 -1.628 -1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.940 -1.624 -0.495 1.00 0.00 H new ATOM 1102 N GLN A 69 -9.443 -3.281 1.713 1.00 0.00 N ATOM 1103 CA GLN A 69 -9.533 -3.377 3.195 1.00 0.00 C ATOM 1104 C GLN A 69 -8.487 -4.378 3.686 1.00 0.00 C ATOM 1105 O GLN A 69 -7.808 -4.152 4.667 1.00 0.00 O ATOM 1106 CB GLN A 69 -10.929 -3.852 3.600 1.00 0.00 C ATOM 1107 CG GLN A 69 -11.312 -3.218 4.940 1.00 0.00 C ATOM 1108 CD GLN A 69 -12.830 -3.056 5.016 1.00 0.00 C ATOM 1109 OE1 GLN A 69 -13.535 -3.357 4.072 1.00 0.00 O ATOM 1110 NE2 GLN A 69 -13.370 -2.590 6.109 1.00 0.00 N ATOM 0 H GLN A 69 -10.320 -3.425 1.212 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.350 -2.399 3.640 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.655 -3.578 2.835 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.946 -4.939 3.681 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.961 -3.842 5.762 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.827 -2.248 5.046 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.780 -2.337 6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.382 -2.479 6.171 1.00 0.00 H new ATOM 1119 N GLU A 70 -8.341 -5.481 3.006 1.00 0.00 N ATOM 1120 CA GLU A 70 -7.323 -6.478 3.435 1.00 0.00 C ATOM 1121 C GLU A 70 -6.000 -5.761 3.641 1.00 0.00 C ATOM 1122 O GLU A 70 -5.492 -5.663 4.738 1.00 0.00 O ATOM 1123 CB GLU A 70 -7.123 -7.531 2.345 1.00 0.00 C ATOM 1124 CG GLU A 70 -8.347 -8.448 2.284 1.00 0.00 C ATOM 1125 CD GLU A 70 -8.233 -9.524 3.365 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -7.811 -9.191 4.461 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -8.568 -10.661 3.080 1.00 0.00 O ATOM 0 H GLU A 70 -8.879 -5.734 2.177 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.660 -6.959 4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.971 -7.046 1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.227 -8.117 2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.258 -7.867 2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.418 -8.912 1.300 1.00 0.00 H new ATOM 1134 N ALA A 71 -5.436 -5.265 2.579 1.00 0.00 N ATOM 1135 CA ALA A 71 -4.138 -4.563 2.694 1.00 0.00 C ATOM 1136 C ALA A 71 -4.216 -3.500 3.794 1.00 0.00 C ATOM 1137 O ALA A 71 -3.236 -3.186 4.439 1.00 0.00 O ATOM 1138 CB ALA A 71 -3.791 -3.906 1.357 1.00 0.00 C ATOM 0 H ALA A 71 -5.821 -5.317 1.636 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.361 -5.282 2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.835 -3.389 1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.722 -4.670 0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.568 -3.189 1.091 1.00 0.00 H new ATOM 1144 N ILE A 72 -5.367 -2.944 4.031 1.00 0.00 N ATOM 1145 CA ILE A 72 -5.458 -1.922 5.102 1.00 0.00 C ATOM 1146 C ILE A 72 -5.043 -2.569 6.423 1.00 0.00 C ATOM 1147 O ILE A 72 -4.222 -2.053 7.141 1.00 0.00 O ATOM 1148 CB ILE A 72 -6.888 -1.383 5.204 1.00 0.00 C ATOM 1149 CG1 ILE A 72 -7.235 -0.621 3.921 1.00 0.00 C ATOM 1150 CG2 ILE A 72 -6.993 -0.437 6.402 1.00 0.00 C ATOM 1151 CD1 ILE A 72 -6.438 0.685 3.867 1.00 0.00 C ATOM 0 H ILE A 72 -6.236 -3.149 3.538 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.797 -1.086 4.872 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.582 -2.213 5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.007 -1.234 3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.304 -0.408 3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.011 -0.053 6.475 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -6.743 -0.977 7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.300 0.394 6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.686 1.225 2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.688 1.300 4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.371 0.461 3.877 1.00 0.00 H new ATOM 1163 N SER A 73 -5.590 -3.706 6.744 1.00 0.00 N ATOM 1164 CA SER A 73 -5.207 -4.378 8.020 1.00 0.00 C ATOM 1165 C SER A 73 -3.934 -5.206 7.818 1.00 0.00 C ATOM 1166 O SER A 73 -2.901 -4.933 8.397 1.00 0.00 O ATOM 1167 CB SER A 73 -6.343 -5.298 8.471 1.00 0.00 C ATOM 1168 OG SER A 73 -7.511 -4.524 8.709 1.00 0.00 O ATOM 0 H SER A 73 -6.283 -4.200 6.182 1.00 0.00 H new ATOM 0 HA SER A 73 -5.022 -3.619 8.780 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.541 -6.050 7.708 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.056 -5.831 9.377 1.00 0.00 H new ATOM 0 HG SER A 73 -8.240 -5.112 8.996 1.00 0.00 H new ATOM 1174 N ALA A 74 -4.013 -6.227 7.014 1.00 0.00 N ATOM 1175 CA ALA A 74 -2.830 -7.104 6.776 1.00 0.00 C ATOM 1176 C ALA A 74 -1.623 -6.292 6.293 1.00 0.00 C ATOM 1177 O ALA A 74 -0.515 -6.500 6.745 1.00 0.00 O ATOM 1178 CB ALA A 74 -3.183 -8.150 5.718 1.00 0.00 C ATOM 0 H ALA A 74 -4.855 -6.496 6.505 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.567 -7.586 7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.321 -8.793 5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.020 -8.753 6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.459 -7.650 4.790 1.00 0.00 H new ATOM 1184 N LEU A 75 -1.805 -5.389 5.366 1.00 0.00 N ATOM 1185 CA LEU A 75 -0.629 -4.614 4.870 1.00 0.00 C ATOM 1186 C LEU A 75 -0.271 -3.489 5.851 1.00 0.00 C ATOM 1187 O LEU A 75 0.893 -3.237 6.090 1.00 0.00 O ATOM 1188 CB LEU A 75 -0.909 -4.048 3.469 1.00 0.00 C ATOM 1189 CG LEU A 75 -0.052 -4.809 2.453 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -0.885 -5.894 1.761 1.00 0.00 C ATOM 1191 CD2 LEU A 75 0.494 -3.858 1.391 1.00 0.00 C ATOM 0 H LEU A 75 -2.701 -5.157 4.937 1.00 0.00 H new ATOM 0 HA LEU A 75 0.224 -5.289 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.966 -4.151 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.676 -2.984 3.438 1.00 0.00 H new ATOM 0 HG LEU A 75 0.777 -5.268 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.263 -6.427 1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.260 -6.596 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.725 -5.432 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.100 -4.418 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.335 -3.383 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.108 -3.094 1.868 1.00 0.00 H new ATOM 1203 N ASN A 76 -1.227 -2.817 6.443 1.00 0.00 N ATOM 1204 CA ASN A 76 -0.846 -1.745 7.409 1.00 0.00 C ATOM 1205 C ASN A 76 0.118 -2.339 8.433 1.00 0.00 C ATOM 1206 O ASN A 76 -0.123 -3.393 8.986 1.00 0.00 O ATOM 1207 CB ASN A 76 -2.077 -1.217 8.137 1.00 0.00 C ATOM 1208 CG ASN A 76 -1.638 -0.262 9.247 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -1.644 -0.615 10.410 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -1.250 0.945 8.934 1.00 0.00 N ATOM 0 H ASN A 76 -2.228 -2.959 6.304 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.380 -0.922 6.867 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.734 -0.701 7.437 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.647 -2.045 8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.952 1.591 9.665 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.245 1.242 7.958 1.00 0.00 H new ATOM 1217 N ASN A 77 1.209 -1.679 8.690 1.00 0.00 N ATOM 1218 CA ASN A 77 2.183 -2.215 9.676 1.00 0.00 C ATOM 1219 C ASN A 77 2.766 -3.532 9.158 1.00 0.00 C ATOM 1220 O ASN A 77 2.496 -4.590 9.692 1.00 0.00 O ATOM 1221 CB ASN A 77 1.485 -2.454 11.017 1.00 0.00 C ATOM 1222 CG ASN A 77 0.838 -1.152 11.492 1.00 0.00 C ATOM 1223 OD1 ASN A 77 -0.085 -1.171 12.283 1.00 0.00 O ATOM 1224 ND2 ASN A 77 1.286 -0.012 11.040 1.00 0.00 N ATOM 0 H ASN A 77 1.469 -0.791 8.260 1.00 0.00 H new ATOM 0 HA ASN A 77 2.988 -1.493 9.815 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.729 -3.232 10.912 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.204 -2.806 11.756 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.862 0.862 11.351 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.060 0.005 10.376 1.00 0.00 H new ATOM 1231 N VAL A 78 3.574 -3.475 8.130 1.00 0.00 N ATOM 1232 CA VAL A 78 4.184 -4.726 7.595 1.00 0.00 C ATOM 1233 C VAL A 78 5.463 -5.014 8.385 1.00 0.00 C ATOM 1234 O VAL A 78 6.550 -5.042 7.845 1.00 0.00 O ATOM 1235 CB VAL A 78 4.525 -4.558 6.108 1.00 0.00 C ATOM 1236 CG1 VAL A 78 5.351 -3.285 5.912 1.00 0.00 C ATOM 1237 CG2 VAL A 78 5.339 -5.766 5.641 1.00 0.00 C ATOM 0 H VAL A 78 3.836 -2.619 7.641 1.00 0.00 H new ATOM 0 HA VAL A 78 3.480 -5.552 7.697 1.00 0.00 H new ATOM 0 HB VAL A 78 3.605 -4.485 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.592 -3.167 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.777 -2.423 6.252 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.273 -3.357 6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.585 -5.653 4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.259 -5.832 6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.755 -6.675 5.782 1.00 0.00 H new ATOM 1247 N ILE A 79 5.333 -5.215 9.667 1.00 0.00 N ATOM 1248 CA ILE A 79 6.526 -5.489 10.515 1.00 0.00 C ATOM 1249 C ILE A 79 6.048 -6.100 11.840 1.00 0.00 C ATOM 1250 O ILE A 79 4.888 -5.991 12.185 1.00 0.00 O ATOM 1251 CB ILE A 79 7.286 -4.161 10.744 1.00 0.00 C ATOM 1252 CG1 ILE A 79 8.744 -4.331 10.309 1.00 0.00 C ATOM 1253 CG2 ILE A 79 7.247 -3.731 12.219 1.00 0.00 C ATOM 1254 CD1 ILE A 79 9.340 -2.962 9.977 1.00 0.00 C ATOM 0 H ILE A 79 4.444 -5.201 10.167 1.00 0.00 H new ATOM 0 HA ILE A 79 7.204 -6.193 10.033 1.00 0.00 H new ATOM 0 HB ILE A 79 6.797 -3.387 10.152 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.319 -4.807 11.104 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.801 -4.985 9.439 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.791 -2.794 12.339 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.212 -3.592 12.530 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.710 -4.502 12.835 1.00 0.00 H new ATOM 0 HD11 ILE A 79 10.378 -3.083 9.667 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.771 -2.504 9.168 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.296 -2.323 10.859 1.00 0.00 H new ATOM 1266 N PRO A 80 6.956 -6.721 12.542 1.00 0.00 N ATOM 1267 CA PRO A 80 6.549 -7.327 13.828 1.00 0.00 C ATOM 1268 C PRO A 80 6.653 -6.290 14.952 1.00 0.00 C ATOM 1269 O PRO A 80 7.096 -6.588 16.044 1.00 0.00 O ATOM 1270 CB PRO A 80 7.545 -8.465 14.051 1.00 0.00 C ATOM 1271 CG PRO A 80 8.793 -8.114 13.220 1.00 0.00 C ATOM 1272 CD PRO A 80 8.346 -7.083 12.169 1.00 0.00 C ATOM 0 HA PRO A 80 5.518 -7.681 13.818 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.795 -8.561 15.107 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.123 -9.419 13.735 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.579 -7.704 13.855 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.202 -9.003 12.741 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.996 -6.208 12.176 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.387 -7.503 11.164 1.00 0.00 H new ATOM 1280 N GLU A 81 6.249 -5.076 14.692 1.00 0.00 N ATOM 1281 CA GLU A 81 6.325 -4.022 15.743 1.00 0.00 C ATOM 1282 C GLU A 81 7.782 -3.842 16.180 1.00 0.00 C ATOM 1283 O GLU A 81 8.557 -4.778 16.188 1.00 0.00 O ATOM 1284 CB GLU A 81 5.481 -4.444 16.948 1.00 0.00 C ATOM 1285 CG GLU A 81 4.002 -4.180 16.655 1.00 0.00 C ATOM 1286 CD GLU A 81 3.142 -5.172 17.440 1.00 0.00 C ATOM 1287 OE1 GLU A 81 3.408 -6.358 17.348 1.00 0.00 O ATOM 1288 OE2 GLU A 81 2.230 -4.728 18.118 1.00 0.00 O ATOM 0 H GLU A 81 5.869 -4.769 13.796 1.00 0.00 H new ATOM 0 HA GLU A 81 5.946 -3.081 15.344 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.637 -5.501 17.162 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.791 -3.890 17.834 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.742 -3.158 16.932 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.808 -4.280 15.587 1.00 0.00 H new ATOM 1295 N GLY A 82 8.161 -2.648 16.543 1.00 0.00 N ATOM 1296 CA GLY A 82 9.566 -2.416 16.981 1.00 0.00 C ATOM 1297 C GLY A 82 10.166 -1.248 16.195 1.00 0.00 C ATOM 1298 O GLY A 82 10.300 -0.152 16.701 1.00 0.00 O ATOM 0 H GLY A 82 7.560 -1.824 16.555 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.593 -2.200 18.049 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.160 -3.316 16.823 1.00 0.00 H new ATOM 1302 N GLY A 83 10.531 -1.475 14.963 1.00 0.00 N ATOM 1303 CA GLY A 83 11.125 -0.380 14.145 1.00 0.00 C ATOM 1304 C GLY A 83 10.129 0.774 14.030 1.00 0.00 C ATOM 1305 O GLY A 83 10.501 1.913 13.829 1.00 0.00 O ATOM 0 H GLY A 83 10.443 -2.373 14.487 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.050 -0.031 14.604 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.382 -0.752 13.153 1.00 0.00 H new ATOM 1309 N SER A 84 8.863 0.487 14.157 1.00 0.00 N ATOM 1310 CA SER A 84 7.836 1.563 14.057 1.00 0.00 C ATOM 1311 C SER A 84 7.944 2.263 12.701 1.00 0.00 C ATOM 1312 O SER A 84 7.613 3.424 12.565 1.00 0.00 O ATOM 1313 CB SER A 84 8.055 2.583 15.174 1.00 0.00 C ATOM 1314 OG SER A 84 8.785 1.974 16.230 1.00 0.00 O ATOM 0 H SER A 84 8.494 -0.449 14.326 1.00 0.00 H new ATOM 0 HA SER A 84 6.845 1.120 14.154 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.599 3.447 14.792 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.096 2.947 15.542 1.00 0.00 H new ATOM 0 HG SER A 84 8.928 2.626 16.947 1.00 0.00 H new ATOM 1320 N GLN A 85 8.395 1.569 11.691 1.00 0.00 N ATOM 1321 CA GLN A 85 8.507 2.202 10.346 1.00 0.00 C ATOM 1322 C GLN A 85 7.791 1.330 9.306 1.00 0.00 C ATOM 1323 O GLN A 85 8.430 0.647 8.531 1.00 0.00 O ATOM 1324 CB GLN A 85 9.985 2.339 9.966 1.00 0.00 C ATOM 1325 CG GLN A 85 10.802 2.727 11.200 1.00 0.00 C ATOM 1326 CD GLN A 85 11.842 3.783 10.817 1.00 0.00 C ATOM 1327 OE1 GLN A 85 12.109 3.994 9.651 1.00 0.00 O ATOM 1328 NE2 GLN A 85 12.443 4.461 11.757 1.00 0.00 N ATOM 0 H GLN A 85 8.690 0.594 11.739 1.00 0.00 H new ATOM 0 HA GLN A 85 8.045 3.189 10.372 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.353 1.399 9.555 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.102 3.094 9.189 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.144 3.116 11.977 1.00 0.00 H new ATOM 0 HG3 GLN A 85 11.297 1.848 11.612 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.219 4.284 12.736 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.137 5.168 11.512 1.00 0.00 H new ATOM 1337 N PRO A 86 6.482 1.385 9.323 1.00 0.00 N ATOM 1338 CA PRO A 86 5.728 0.569 8.341 1.00 0.00 C ATOM 1339 C PRO A 86 5.078 1.459 7.282 1.00 0.00 C ATOM 1340 O PRO A 86 5.452 2.599 7.097 1.00 0.00 O ATOM 1341 CB PRO A 86 4.653 -0.125 9.169 1.00 0.00 C ATOM 1342 CG PRO A 86 4.451 0.734 10.427 1.00 0.00 C ATOM 1343 CD PRO A 86 5.720 1.583 10.583 1.00 0.00 C ATOM 0 HA PRO A 86 6.372 -0.132 7.810 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.724 -0.212 8.605 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.960 -1.136 9.435 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.570 1.368 10.327 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.294 0.106 11.304 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.474 2.634 10.733 1.00 0.00 H new ATOM 0 HD3 PRO A 86 6.302 1.265 11.448 1.00 0.00 H new ATOM 1351 N LEU A 87 4.103 0.938 6.587 1.00 0.00 N ATOM 1352 CA LEU A 87 3.420 1.748 5.536 1.00 0.00 C ATOM 1353 C LEU A 87 2.066 2.238 6.040 1.00 0.00 C ATOM 1354 O LEU A 87 1.200 1.453 6.375 1.00 0.00 O ATOM 1355 CB LEU A 87 3.162 0.910 4.272 1.00 0.00 C ATOM 1356 CG LEU A 87 3.459 -0.569 4.513 1.00 0.00 C ATOM 1357 CD1 LEU A 87 2.274 -1.218 5.228 1.00 0.00 C ATOM 1358 CD2 LEU A 87 3.665 -1.261 3.165 1.00 0.00 C ATOM 0 H LEU A 87 3.750 -0.012 6.701 1.00 0.00 H new ATOM 0 HA LEU A 87 4.075 2.588 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.124 1.028 3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.783 1.279 3.456 1.00 0.00 H new ATOM 0 HG LEU A 87 4.355 -0.667 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.486 -2.273 5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.109 -0.721 6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.381 -1.123 4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.878 -2.318 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.762 -1.161 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.502 -0.798 2.643 1.00 0.00 H new ATOM 1370 N SER A 88 1.840 3.522 6.038 1.00 0.00 N ATOM 1371 CA SER A 88 0.505 4.017 6.453 1.00 0.00 C ATOM 1372 C SER A 88 -0.399 3.793 5.249 1.00 0.00 C ATOM 1373 O SER A 88 -0.209 4.389 4.207 1.00 0.00 O ATOM 1374 CB SER A 88 0.566 5.505 6.799 1.00 0.00 C ATOM 1375 OG SER A 88 1.894 5.850 7.169 1.00 0.00 O ATOM 0 H SER A 88 2.514 4.239 5.770 1.00 0.00 H new ATOM 0 HA SER A 88 0.141 3.500 7.341 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.248 6.102 5.944 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.120 5.728 7.616 1.00 0.00 H new ATOM 0 HG SER A 88 1.884 6.684 7.683 1.00 0.00 H new ATOM 1381 N VAL A 89 -1.328 2.883 5.360 1.00 0.00 N ATOM 1382 CA VAL A 89 -2.194 2.548 4.191 1.00 0.00 C ATOM 1383 C VAL A 89 -3.298 3.586 3.966 1.00 0.00 C ATOM 1384 O VAL A 89 -3.704 4.309 4.855 1.00 0.00 O ATOM 1385 CB VAL A 89 -2.824 1.173 4.410 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -1.793 0.086 4.092 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -3.270 1.044 5.867 1.00 0.00 C ATOM 0 H VAL A 89 -1.526 2.356 6.210 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.563 2.545 3.302 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.688 1.058 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.240 -0.896 4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.474 0.179 3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.930 0.200 4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.720 0.064 6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.407 1.157 6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.002 1.819 6.093 1.00 0.00 H new ATOM 1397 N ARG A 90 -3.759 3.648 2.744 1.00 0.00 N ATOM 1398 CA ARG A 90 -4.823 4.612 2.338 1.00 0.00 C ATOM 1399 C ARG A 90 -4.872 4.610 0.808 1.00 0.00 C ATOM 1400 O ARG A 90 -3.863 4.786 0.147 1.00 0.00 O ATOM 1401 CB ARG A 90 -4.481 6.013 2.848 1.00 0.00 C ATOM 1402 CG ARG A 90 -2.963 6.174 2.911 1.00 0.00 C ATOM 1403 CD ARG A 90 -2.600 7.653 2.787 1.00 0.00 C ATOM 1404 NE ARG A 90 -1.706 8.039 3.914 1.00 0.00 N ATOM 1405 CZ ARG A 90 -1.642 9.284 4.296 1.00 0.00 C ATOM 1406 NH1 ARG A 90 -2.201 10.219 3.577 1.00 0.00 N ATOM 1407 NH2 ARG A 90 -1.017 9.597 5.399 1.00 0.00 N ATOM 0 H ARG A 90 -3.430 3.049 1.987 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.787 4.326 2.758 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.911 6.767 2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.915 6.169 3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.583 5.773 3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.493 5.605 2.109 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.103 7.838 1.835 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.503 8.263 2.800 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.145 7.330 4.386 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.689 9.976 2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.150 11.192 3.877 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.579 8.868 5.962 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.967 10.571 5.698 1.00 0.00 H new ATOM 1421 N LEU A 91 -6.022 4.381 0.238 1.00 0.00 N ATOM 1422 CA LEU A 91 -6.115 4.334 -1.249 1.00 0.00 C ATOM 1423 C LEU A 91 -5.274 5.456 -1.862 1.00 0.00 C ATOM 1424 O LEU A 91 -4.943 6.426 -1.209 1.00 0.00 O ATOM 1425 CB LEU A 91 -7.577 4.476 -1.684 1.00 0.00 C ATOM 1426 CG LEU A 91 -8.433 3.416 -0.982 1.00 0.00 C ATOM 1427 CD1 LEU A 91 -9.786 3.305 -1.687 1.00 0.00 C ATOM 1428 CD2 LEU A 91 -7.723 2.059 -1.039 1.00 0.00 C ATOM 0 H LEU A 91 -6.899 4.225 0.735 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.732 3.375 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.944 5.473 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.657 4.363 -2.765 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.582 3.706 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.395 2.551 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.296 4.267 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.632 3.017 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.334 1.307 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.572 1.771 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.757 2.132 -0.539 1.00 0.00 H new ATOM 1440 N ALA A 92 -4.916 5.325 -3.112 1.00 0.00 N ATOM 1441 CA ALA A 92 -4.086 6.377 -3.768 1.00 0.00 C ATOM 1442 C ALA A 92 -4.990 7.495 -4.290 1.00 0.00 C ATOM 1443 O ALA A 92 -6.193 7.355 -4.351 1.00 0.00 O ATOM 1444 CB ALA A 92 -3.320 5.759 -4.938 1.00 0.00 C ATOM 0 H ALA A 92 -5.163 4.534 -3.707 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.383 6.788 -3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.712 6.525 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.674 4.962 -4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.027 5.349 -5.660 1.00 0.00 H new ATOM 1450 N GLU A 93 -4.418 8.603 -4.672 1.00 0.00 N ATOM 1451 CA GLU A 93 -5.245 9.726 -5.193 1.00 0.00 C ATOM 1452 C GLU A 93 -5.934 9.294 -6.485 1.00 0.00 C ATOM 1453 O GLU A 93 -6.051 8.120 -6.779 1.00 0.00 O ATOM 1454 CB GLU A 93 -4.349 10.936 -5.466 1.00 0.00 C ATOM 1455 CG GLU A 93 -3.609 11.317 -4.183 1.00 0.00 C ATOM 1456 CD GLU A 93 -3.794 12.810 -3.906 1.00 0.00 C ATOM 1457 OE1 GLU A 93 -3.685 13.584 -4.843 1.00 0.00 O ATOM 1458 OE2 GLU A 93 -4.041 13.154 -2.762 1.00 0.00 O ATOM 0 H GLU A 93 -3.414 8.779 -4.646 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.000 9.996 -4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.635 10.703 -6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.949 11.776 -5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.989 10.732 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.549 11.084 -4.280 1.00 0.00 H new ATOM 1465 N GLU A 94 -6.403 10.235 -7.250 1.00 0.00 N ATOM 1466 CA GLU A 94 -7.103 9.891 -8.523 1.00 0.00 C ATOM 1467 C GLU A 94 -6.084 9.517 -9.603 1.00 0.00 C ATOM 1468 O GLU A 94 -6.436 9.280 -10.742 1.00 0.00 O ATOM 1469 CB GLU A 94 -7.920 11.097 -8.993 1.00 0.00 C ATOM 1470 CG GLU A 94 -8.688 11.691 -7.809 1.00 0.00 C ATOM 1471 CD GLU A 94 -8.549 13.214 -7.822 1.00 0.00 C ATOM 1472 OE1 GLU A 94 -7.576 13.706 -7.275 1.00 0.00 O ATOM 1473 OE2 GLU A 94 -9.418 13.863 -8.380 1.00 0.00 O ATOM 0 H GLU A 94 -6.333 11.233 -7.051 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.762 9.041 -8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.260 11.849 -9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.616 10.795 -9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.740 11.411 -7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.302 11.288 -6.873 1.00 0.00 H new ATOM 1480 N HIS A 95 -4.826 9.459 -9.262 1.00 0.00 N ATOM 1481 CA HIS A 95 -3.798 9.099 -10.279 1.00 0.00 C ATOM 1482 C HIS A 95 -2.976 7.910 -9.779 1.00 0.00 C ATOM 1483 O HIS A 95 -2.230 8.017 -8.825 1.00 0.00 O ATOM 1484 CB HIS A 95 -2.875 10.297 -10.510 1.00 0.00 C ATOM 1485 CG HIS A 95 -3.635 11.389 -11.213 1.00 0.00 C ATOM 1486 ND1 HIS A 95 -3.590 12.709 -10.795 1.00 0.00 N ATOM 1487 CD2 HIS A 95 -4.461 11.370 -12.308 1.00 0.00 C ATOM 1488 CE1 HIS A 95 -4.367 13.424 -11.628 1.00 0.00 C ATOM 1489 NE2 HIS A 95 -4.922 12.656 -12.570 1.00 0.00 N ATOM 0 H HIS A 95 -4.466 9.645 -8.326 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.289 8.830 -11.214 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.491 10.662 -9.558 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.014 9.996 -11.107 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.715 10.490 -12.880 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.523 14.489 -11.546 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -5.549 12.949 -13.320 1.00 0.00 H new ATOM 1497 N GLY A 96 -3.101 6.776 -10.414 1.00 0.00 N ATOM 1498 CA GLY A 96 -2.322 5.585 -9.971 1.00 0.00 C ATOM 1499 C GLY A 96 -2.978 4.310 -10.507 1.00 0.00 C ATOM 1500 O GLY A 96 -4.000 4.357 -11.163 1.00 0.00 O ATOM 0 H GLY A 96 -3.708 6.623 -11.219 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.295 5.656 -10.330 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.277 5.552 -8.882 1.00 0.00 H new ATOM 1504 N LYS A 97 -2.400 3.172 -10.233 1.00 0.00 N ATOM 1505 CA LYS A 97 -2.992 1.895 -10.727 1.00 0.00 C ATOM 1506 C LYS A 97 -4.125 1.465 -9.794 1.00 0.00 C ATOM 1507 O LYS A 97 -4.294 2.099 -8.767 1.00 0.00 O ATOM 1508 CB LYS A 97 -1.918 0.803 -10.763 1.00 0.00 C ATOM 1509 CG LYS A 97 -0.663 1.346 -11.449 1.00 0.00 C ATOM 1510 CD LYS A 97 -1.053 2.003 -12.775 1.00 0.00 C ATOM 1511 CE LYS A 97 0.030 1.734 -13.821 1.00 0.00 C ATOM 1512 NZ LYS A 97 -0.047 2.766 -14.893 1.00 0.00 N ATOM 1513 OXT LYS A 97 -4.804 0.506 -10.124 1.00 0.00 O ATOM 0 H LYS A 97 -1.543 3.071 -9.688 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.383 2.046 -11.733 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.680 0.478 -9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.290 -0.070 -11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.167 2.071 -10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.047 0.538 -11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.010 1.611 -13.119 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.180 3.077 -12.637 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.015 1.753 -13.354 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.101 0.740 -14.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.689 2.583 -15.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.983 2.727 -15.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.098 3.709 -14.478 1.00 0.00 H new