USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, 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 Single : A 6 THR OG1 : rot -16:sc= 0.687 USER MOD Single : A 7 TYR OH : rot -73:sc= -3.03! USER MOD Single : A 9 MET CE :methyl -105:sc= -11.5! (180deg=-14.7!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.918! C(o=-0.92!,f=-4!) USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.039) USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.178) USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0244) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 1.2 K(o=1.2,f=-0.17) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot -54:sc= -2.52! USER MOD Single : A 68 ASN : amide:sc= -15.7! C(o=-16!,f=-18!) USER MOD Single : A 71 HIS : no HD1:sc=-0.00573 X(o=-0.0057,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -103:sc= 0.0554 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -178:sc= -11.4! (180deg=-11.5!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -114:sc= 1.26 (180deg=-0.143) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.899 K(o=-0.9,f=-3.5!) USER MOD Single : A 105 ASN : amide:sc= -4.32! C(o=-4.3!,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 67 N THR A 6 -1.952 16.745 -5.906 1.00 0.00 N ATOM 68 CA THR A 6 -1.860 15.621 -4.990 1.00 0.00 C ATOM 69 C THR A 6 -2.721 14.458 -5.484 1.00 0.00 C ATOM 70 O THR A 6 -3.637 14.653 -6.282 1.00 0.00 O ATOM 71 CB THR A 6 -2.249 16.116 -3.594 1.00 0.00 C ATOM 72 OG1 THR A 6 -2.431 17.519 -3.762 1.00 0.00 O ATOM 73 CG2 THR A 6 -1.098 16.006 -2.593 1.00 0.00 C ATOM 0 HA THR A 6 -0.843 15.232 -4.942 1.00 0.00 H new ATOM 0 HB THR A 6 -3.102 15.544 -3.230 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.021 17.803 -4.606 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.426 16.370 -1.619 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.790 14.964 -2.506 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.256 16.606 -2.939 1.00 0.00 H new ATOM 81 N TYR A 7 -2.396 13.272 -4.991 1.00 0.00 N ATOM 82 CA TYR A 7 -3.128 12.076 -5.373 1.00 0.00 C ATOM 83 C TYR A 7 -3.476 11.231 -4.148 1.00 0.00 C ATOM 84 O TYR A 7 -3.334 11.687 -3.014 1.00 0.00 O ATOM 85 CB TYR A 7 -2.189 11.277 -6.279 1.00 0.00 C ATOM 86 CG TYR A 7 -1.831 11.987 -7.586 1.00 0.00 C ATOM 87 CD1 TYR A 7 -2.828 12.530 -8.372 1.00 0.00 C ATOM 88 CD2 TYR A 7 -0.513 12.085 -7.982 1.00 0.00 C ATOM 89 CE1 TYR A 7 -2.493 13.198 -9.602 1.00 0.00 C ATOM 90 CE2 TYR A 7 -0.177 12.753 -9.212 1.00 0.00 C ATOM 91 CZ TYR A 7 -1.183 13.276 -9.961 1.00 0.00 C ATOM 92 OH TYR A 7 -0.866 13.908 -11.124 1.00 0.00 O ATOM 0 H TYR A 7 -1.635 13.114 -4.330 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.062 12.341 -5.869 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.271 11.060 -5.732 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.655 10.320 -6.513 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.860 12.453 -8.063 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.268 11.660 -7.368 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.263 13.627 -10.225 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.851 12.837 -9.532 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.130 13.348 -11.883 1.00 0.00 H new ATOM 101 N ARG A 8 -3.925 10.013 -4.415 1.00 0.00 N ATOM 102 CA ARG A 8 -4.294 9.100 -3.347 1.00 0.00 C ATOM 103 C ARG A 8 -3.760 7.696 -3.640 1.00 0.00 C ATOM 104 O ARG A 8 -3.505 7.354 -4.794 1.00 0.00 O ATOM 105 CB ARG A 8 -5.813 9.035 -3.178 1.00 0.00 C ATOM 106 CG ARG A 8 -6.485 8.528 -4.456 1.00 0.00 C ATOM 107 CD ARG A 8 -7.185 7.189 -4.215 1.00 0.00 C ATOM 108 NE ARG A 8 -7.628 6.609 -5.502 1.00 0.00 N ATOM 109 CZ ARG A 8 -8.783 6.916 -6.105 1.00 0.00 C ATOM 110 NH1 ARG A 8 -9.620 7.799 -5.543 1.00 0.00 N ATOM 111 NH2 ARG A 8 -9.104 6.341 -7.272 1.00 0.00 N ATOM 0 H ARG A 8 -4.041 9.637 -5.356 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.853 9.475 -2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.062 8.377 -2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.198 10.024 -2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.210 9.263 -4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.739 8.416 -5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.507 6.501 -3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.042 7.331 -3.557 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.015 5.933 -5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.377 8.238 -4.655 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.500 8.032 -6.003 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.468 5.669 -7.701 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.984 6.575 -7.731 1.00 0.00 H new ATOM 122 N MET A 9 -3.608 6.922 -2.577 1.00 0.00 N ATOM 123 CA MET A 9 -3.109 5.563 -2.705 1.00 0.00 C ATOM 124 C MET A 9 -4.122 4.554 -2.163 1.00 0.00 C ATOM 125 O MET A 9 -4.657 4.731 -1.070 1.00 0.00 O ATOM 126 CB MET A 9 -1.792 5.427 -1.938 1.00 0.00 C ATOM 127 CG MET A 9 -1.377 3.959 -1.817 1.00 0.00 C ATOM 128 SD MET A 9 0.390 3.842 -1.586 1.00 0.00 S ATOM 129 CE MET A 9 0.777 2.591 -2.799 1.00 0.00 C ATOM 0 H MET A 9 -3.822 7.210 -1.622 1.00 0.00 H new ATOM 0 HA MET A 9 -2.946 5.354 -3.762 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.010 5.989 -2.449 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.899 5.861 -0.944 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.894 3.494 -0.977 1.00 0.00 H new ATOM 0 HG3 MET A 9 -1.672 3.414 -2.714 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.977 1.645 -2.295 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.067 2.469 -3.478 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.658 2.893 -3.365 1.00 0.00 H new ATOM 137 N LEU A 10 -4.355 3.515 -2.952 1.00 0.00 N ATOM 138 CA LEU A 10 -5.295 2.476 -2.566 1.00 0.00 C ATOM 139 C LEU A 10 -4.529 1.186 -2.270 1.00 0.00 C ATOM 140 O LEU A 10 -3.635 0.805 -3.022 1.00 0.00 O ATOM 141 CB LEU A 10 -6.383 2.316 -3.629 1.00 0.00 C ATOM 142 CG LEU A 10 -5.910 2.345 -5.084 1.00 0.00 C ATOM 143 CD1 LEU A 10 -6.654 1.305 -5.924 1.00 0.00 C ATOM 144 CD2 LEU A 10 -6.032 3.751 -5.672 1.00 0.00 C ATOM 0 H LEU A 10 -3.909 3.370 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.816 2.755 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.898 1.371 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.117 3.109 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.853 2.078 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.299 1.347 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.471 0.310 -5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.723 1.516 -5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.689 3.744 -6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.073 4.071 -5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.420 4.442 -5.092 1.00 0.00 H new ATOM 155 N VAL A 11 -4.910 0.547 -1.172 1.00 0.00 N ATOM 156 CA VAL A 11 -4.271 -0.694 -0.770 1.00 0.00 C ATOM 157 C VAL A 11 -5.281 -1.838 -0.868 1.00 0.00 C ATOM 158 O VAL A 11 -6.393 -1.735 -0.353 1.00 0.00 O ATOM 159 CB VAL A 11 -3.672 -0.543 0.631 1.00 0.00 C ATOM 160 CG1 VAL A 11 -3.425 -1.911 1.270 1.00 0.00 C ATOM 161 CG2 VAL A 11 -2.388 0.285 0.593 1.00 0.00 C ATOM 0 H VAL A 11 -5.653 0.866 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.444 -0.933 -1.439 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.394 -0.009 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.999 -1.777 2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.368 -2.451 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.731 -2.481 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.984 0.376 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.656 -0.207 -0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.607 1.277 0.198 1.00 0.00 H new ATOM 171 N LEU A 12 -4.858 -2.904 -1.534 1.00 0.00 N ATOM 172 CA LEU A 12 -5.711 -4.065 -1.706 1.00 0.00 C ATOM 173 C LEU A 12 -5.039 -5.287 -1.075 1.00 0.00 C ATOM 174 O LEU A 12 -3.844 -5.507 -1.263 1.00 0.00 O ATOM 175 CB LEU A 12 -6.067 -4.254 -3.182 1.00 0.00 C ATOM 176 CG LEU A 12 -5.066 -3.689 -4.191 1.00 0.00 C ATOM 177 CD1 LEU A 12 -5.007 -4.557 -5.450 1.00 0.00 C ATOM 178 CD2 LEU A 12 -5.381 -2.228 -4.516 1.00 0.00 C ATOM 0 H LEU A 12 -3.935 -2.986 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.659 -3.920 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.183 -5.321 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.037 -3.790 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.075 -3.711 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.288 -4.133 -6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.699 -5.568 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.992 -4.590 -5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.654 -1.851 -5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.382 -2.157 -4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.331 -1.633 -3.604 1.00 0.00 H new ATOM 189 N LEU A 13 -5.836 -6.046 -0.338 1.00 0.00 N ATOM 190 CA LEU A 13 -5.332 -7.240 0.319 1.00 0.00 C ATOM 191 C LEU A 13 -6.308 -8.396 0.086 1.00 0.00 C ATOM 192 O LEU A 13 -7.521 -8.201 0.105 1.00 0.00 O ATOM 193 CB LEU A 13 -5.054 -6.960 1.797 1.00 0.00 C ATOM 194 CG LEU A 13 -4.993 -8.183 2.713 1.00 0.00 C ATOM 195 CD1 LEU A 13 -3.551 -8.491 3.123 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.909 -8.008 3.926 1.00 0.00 C ATOM 0 H LEU A 13 -6.826 -5.858 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.376 -7.537 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.106 -6.427 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.828 -6.290 2.171 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.360 -9.045 2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.537 -9.365 3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.955 -8.692 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.133 -7.636 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.846 -8.892 4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.597 -7.131 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.937 -7.876 3.589 1.00 0.00 H new ATOM 220 N ASP A 15 -8.059 -12.070 0.974 1.00 0.00 N ATOM 221 CA ASP A 15 -8.524 -12.757 2.168 1.00 0.00 C ATOM 222 C ASP A 15 -7.902 -14.154 2.222 1.00 0.00 C ATOM 223 O ASP A 15 -7.542 -14.717 1.189 1.00 0.00 O ATOM 224 CB ASP A 15 -10.045 -12.916 2.153 1.00 0.00 C ATOM 225 CG ASP A 15 -10.590 -14.002 3.085 1.00 0.00 C ATOM 226 OD1 ASP A 15 -10.640 -15.166 2.632 1.00 0.00 O ATOM 227 OD2 ASP A 15 -10.944 -13.644 4.229 1.00 0.00 O ATOM 0 HA ASP A 15 -8.232 -12.164 3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.498 -11.963 2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.362 -13.139 1.134 1.00 0.00 H new ATOM 231 N ASP A 16 -7.795 -14.673 3.436 1.00 0.00 N ATOM 232 CA ASP A 16 -7.223 -15.992 3.639 1.00 0.00 C ATOM 233 C ASP A 16 -8.312 -16.945 4.133 1.00 0.00 C ATOM 234 O ASP A 16 -9.309 -16.510 4.709 1.00 0.00 O ATOM 235 CB ASP A 16 -6.113 -15.957 4.691 1.00 0.00 C ATOM 236 CG ASP A 16 -4.692 -16.075 4.136 1.00 0.00 C ATOM 237 OD1 ASP A 16 -4.546 -15.898 2.907 1.00 0.00 O ATOM 238 OD2 ASP A 16 -3.784 -16.339 4.953 1.00 0.00 O ATOM 0 H ASP A 16 -8.095 -14.203 4.290 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.808 -16.328 2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.192 -15.025 5.250 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.279 -16.769 5.399 1.00 0.00 H new ATOM 242 N THR A 17 -8.086 -18.228 3.892 1.00 0.00 N ATOM 243 CA THR A 17 -9.037 -19.246 4.307 1.00 0.00 C ATOM 244 C THR A 17 -8.681 -19.775 5.697 1.00 0.00 C ATOM 245 O THR A 17 -7.515 -20.039 5.985 1.00 0.00 O ATOM 246 CB THR A 17 -9.062 -20.335 3.230 1.00 0.00 C ATOM 247 OG1 THR A 17 -7.816 -21.007 3.389 1.00 0.00 O ATOM 248 CG2 THR A 17 -8.998 -19.760 1.814 1.00 0.00 C ATOM 0 H THR A 17 -7.259 -18.586 3.415 1.00 0.00 H new ATOM 0 HA THR A 17 -10.042 -18.834 4.399 1.00 0.00 H new ATOM 0 HB THR A 17 -9.968 -20.932 3.338 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.748 -21.730 2.731 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.019 -20.574 1.089 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.853 -19.105 1.648 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.076 -19.191 1.694 1.00 0.00 H new ATOM 256 N LYS A 18 -9.709 -19.913 6.523 1.00 0.00 N ATOM 257 CA LYS A 18 -9.519 -20.405 7.877 1.00 0.00 C ATOM 258 C LYS A 18 -10.879 -20.515 8.570 1.00 0.00 C ATOM 259 O LYS A 18 -10.993 -20.252 9.766 1.00 0.00 O ATOM 260 CB LYS A 18 -8.515 -19.529 8.628 1.00 0.00 C ATOM 261 CG LYS A 18 -8.981 -18.073 8.671 1.00 0.00 C ATOM 262 CD LYS A 18 -8.822 -17.487 10.076 1.00 0.00 C ATOM 263 CE LYS A 18 -8.701 -15.962 10.024 1.00 0.00 C ATOM 264 NZ LYS A 18 -8.172 -15.441 11.303 1.00 0.00 N ATOM 0 H LYS A 18 -10.675 -19.693 6.280 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.086 -21.405 7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.388 -19.904 9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.541 -19.588 8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.405 -17.482 7.959 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.025 -18.012 8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.678 -17.767 10.690 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.937 -17.910 10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.042 -15.671 9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.677 -15.521 9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.096 -14.405 11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.815 -15.703 12.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.232 -15.848 11.482 1.00 0.00 H new ATOM 274 N ILE A 19 -11.875 -20.905 7.787 1.00 0.00 N ATOM 275 CA ILE A 19 -13.222 -21.053 8.312 1.00 0.00 C ATOM 276 C ILE A 19 -13.607 -22.534 8.303 1.00 0.00 C ATOM 277 O ILE A 19 -13.427 -23.220 7.298 1.00 0.00 O ATOM 278 CB ILE A 19 -14.198 -20.160 7.543 1.00 0.00 C ATOM 279 CG1 ILE A 19 -14.232 -18.749 8.135 1.00 0.00 C ATOM 280 CG2 ILE A 19 -15.590 -20.791 7.486 1.00 0.00 C ATOM 281 CD1 ILE A 19 -14.931 -18.742 9.497 1.00 0.00 C ATOM 0 H ILE A 19 -11.776 -21.122 6.795 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.267 -20.717 9.348 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.843 -20.070 6.516 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.215 -18.371 8.242 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -14.752 -18.077 7.452 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.264 -20.136 6.934 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -15.531 -21.757 6.985 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -15.968 -20.930 8.499 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.941 -17.727 9.895 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -15.955 -19.097 9.382 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.395 -19.396 10.184 1.00 0.00 H new ATOM 292 N ASN A 20 -14.131 -22.983 9.433 1.00 0.00 N ATOM 293 CA ASN A 20 -14.544 -24.370 9.569 1.00 0.00 C ATOM 294 C ASN A 20 -15.733 -24.636 8.645 1.00 0.00 C ATOM 295 O ASN A 20 -15.992 -23.865 7.723 1.00 0.00 O ATOM 296 CB ASN A 20 -14.980 -24.678 11.003 1.00 0.00 C ATOM 297 CG ASN A 20 -14.094 -23.947 12.014 1.00 0.00 C ATOM 298 OD1 ASN A 20 -13.050 -23.407 11.687 1.00 0.00 O ATOM 299 ND2 ASN A 20 -14.568 -23.959 13.256 1.00 0.00 N ATOM 0 H ASN A 20 -14.280 -22.411 10.264 1.00 0.00 H new ATOM 0 HA ASN A 20 -13.695 -25.002 9.308 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -16.019 -24.381 11.143 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.929 -25.752 11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -14.050 -23.497 14.004 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.449 -24.430 13.461 1.00 0.00 H new ATOM 305 N LYS A 21 -16.426 -25.731 8.926 1.00 0.00 N ATOM 306 CA LYS A 21 -17.581 -26.108 8.130 1.00 0.00 C ATOM 307 C LYS A 21 -18.748 -25.175 8.459 1.00 0.00 C ATOM 308 O LYS A 21 -19.813 -25.269 7.852 1.00 0.00 O ATOM 309 CB LYS A 21 -17.906 -27.591 8.327 1.00 0.00 C ATOM 310 CG LYS A 21 -18.624 -27.823 9.658 1.00 0.00 C ATOM 311 CD LYS A 21 -17.827 -28.777 10.552 1.00 0.00 C ATOM 312 CE LYS A 21 -18.051 -28.457 12.032 1.00 0.00 C ATOM 313 NZ LYS A 21 -17.276 -27.260 12.427 1.00 0.00 N ATOM 0 H LYS A 21 -16.209 -26.368 9.693 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.367 -25.990 7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -18.532 -27.942 7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.986 -28.175 8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.765 -26.871 10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.616 -28.235 9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -18.125 -29.806 10.349 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.766 -28.701 10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -19.112 -28.288 12.217 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.753 -29.309 12.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.274 -27.174 13.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.298 -27.351 12.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.711 -26.412 12.010 1.00 0.00 H new ATOM 323 N GLU A 22 -18.507 -24.295 9.419 1.00 0.00 N ATOM 324 CA GLU A 22 -19.525 -23.346 9.838 1.00 0.00 C ATOM 325 C GLU A 22 -20.057 -22.572 8.629 1.00 0.00 C ATOM 326 O GLU A 22 -21.123 -21.960 8.701 1.00 0.00 O ATOM 327 CB GLU A 22 -18.981 -22.392 10.902 1.00 0.00 C ATOM 328 CG GLU A 22 -18.603 -23.151 12.177 1.00 0.00 C ATOM 329 CD GLU A 22 -19.806 -23.285 13.113 1.00 0.00 C ATOM 330 OE1 GLU A 22 -20.265 -22.230 13.600 1.00 0.00 O ATOM 331 OE2 GLU A 22 -20.239 -24.440 13.319 1.00 0.00 O ATOM 0 H GLU A 22 -17.621 -24.219 9.919 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.351 -23.901 10.283 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.107 -21.868 10.514 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -19.730 -21.635 11.134 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.228 -24.141 11.917 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.795 -22.628 12.690 1.00 0.00 H new ATOM 336 N ASP A 23 -19.293 -22.625 7.549 1.00 0.00 N ATOM 337 CA ASP A 23 -19.676 -21.938 6.328 1.00 0.00 C ATOM 338 C ASP A 23 -19.041 -22.647 5.128 1.00 0.00 C ATOM 339 O ASP A 23 -19.740 -23.274 4.334 1.00 0.00 O ATOM 340 CB ASP A 23 -19.183 -20.489 6.334 1.00 0.00 C ATOM 341 CG ASP A 23 -19.157 -19.809 4.963 1.00 0.00 C ATOM 342 OD1 ASP A 23 -20.142 -19.997 4.217 1.00 0.00 O ATOM 343 OD2 ASP A 23 -18.152 -19.117 4.694 1.00 0.00 O ATOM 0 H ASP A 23 -18.410 -23.133 7.494 1.00 0.00 H new ATOM 0 HA ASP A 23 -20.764 -21.950 6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.820 -19.907 7.000 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.177 -20.465 6.754 1.00 0.00 H new ATOM 347 N GLU A 24 -17.725 -22.523 5.037 1.00 0.00 N ATOM 348 CA GLU A 24 -16.989 -23.146 3.950 1.00 0.00 C ATOM 349 C GLU A 24 -15.578 -23.519 4.410 1.00 0.00 C ATOM 350 O GLU A 24 -14.751 -22.643 4.659 1.00 0.00 O ATOM 351 CB GLU A 24 -16.942 -22.231 2.724 1.00 0.00 C ATOM 352 CG GLU A 24 -17.384 -22.980 1.465 1.00 0.00 C ATOM 353 CD GLU A 24 -18.909 -23.083 1.394 1.00 0.00 C ATOM 354 OE1 GLU A 24 -19.563 -22.104 1.812 1.00 0.00 O ATOM 355 OE2 GLU A 24 -19.384 -24.138 0.924 1.00 0.00 O ATOM 0 H GLU A 24 -17.150 -22.001 5.698 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.510 -24.059 3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -17.589 -21.368 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.930 -21.850 2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -17.009 -22.464 0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.948 -23.979 1.460 1.00 0.00 H new ATOM 360 N LYS A 25 -15.346 -24.821 4.507 1.00 0.00 N ATOM 361 CA LYS A 25 -14.049 -25.319 4.931 1.00 0.00 C ATOM 362 C LYS A 25 -13.000 -24.963 3.875 1.00 0.00 C ATOM 363 O LYS A 25 -11.804 -25.133 4.102 1.00 0.00 O ATOM 364 CB LYS A 25 -14.126 -26.816 5.242 1.00 0.00 C ATOM 365 CG LYS A 25 -12.939 -27.260 6.097 1.00 0.00 C ATOM 366 CD LYS A 25 -13.070 -26.743 7.531 1.00 0.00 C ATOM 367 CE LYS A 25 -11.949 -27.290 8.416 1.00 0.00 C ATOM 368 NZ LYS A 25 -11.160 -26.182 8.998 1.00 0.00 N ATOM 0 H LYS A 25 -16.034 -25.545 4.299 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.741 -24.839 5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -15.057 -27.035 5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.141 -27.384 4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.878 -28.348 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.012 -26.892 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.040 -25.653 7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.037 -27.036 7.940 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.373 -27.901 9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.298 -27.939 7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.267 -26.555 9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.954 -25.478 8.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.703 -25.734 9.763 1.00 0.00 H new ATOM 378 N PHE A 26 -13.488 -24.479 2.742 1.00 0.00 N ATOM 379 CA PHE A 26 -12.608 -24.097 1.652 1.00 0.00 C ATOM 380 C PHE A 26 -12.626 -22.582 1.436 1.00 0.00 C ATOM 381 O PHE A 26 -11.576 -21.946 1.397 1.00 0.00 O ATOM 382 CB PHE A 26 -13.135 -24.786 0.391 1.00 0.00 C ATOM 383 CG PHE A 26 -12.912 -26.301 0.371 1.00 0.00 C ATOM 384 CD1 PHE A 26 -13.535 -27.092 1.287 1.00 0.00 C ATOM 385 CD2 PHE A 26 -12.094 -26.856 -0.562 1.00 0.00 C ATOM 386 CE1 PHE A 26 -13.329 -28.496 1.268 1.00 0.00 C ATOM 387 CE2 PHE A 26 -11.888 -28.260 -0.581 1.00 0.00 C ATOM 388 CZ PHE A 26 -12.509 -29.050 0.335 1.00 0.00 C ATOM 0 H PHE A 26 -14.482 -24.343 2.556 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.584 -24.392 1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.202 -24.585 0.298 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -12.651 -24.346 -0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.186 -26.651 2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.601 -26.228 -1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.823 -29.124 1.994 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.238 -28.701 -1.323 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.351 -30.118 0.322 1.00 0.00 H new ATOM 397 N LEU A 27 -13.832 -22.052 1.301 1.00 0.00 N ATOM 398 CA LEU A 27 -14.000 -20.624 1.089 1.00 0.00 C ATOM 399 C LEU A 27 -14.053 -19.914 2.443 1.00 0.00 C ATOM 400 O LEU A 27 -14.485 -20.496 3.437 1.00 0.00 O ATOM 401 CB LEU A 27 -15.220 -20.353 0.206 1.00 0.00 C ATOM 402 CG LEU A 27 -16.414 -19.692 0.896 1.00 0.00 C ATOM 403 CD1 LEU A 27 -16.228 -18.176 0.981 1.00 0.00 C ATOM 404 CD2 LEU A 27 -17.726 -20.070 0.204 1.00 0.00 C ATOM 0 H LEU A 27 -14.701 -22.584 1.334 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.146 -20.217 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.909 -19.719 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.551 -21.299 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 27 -16.469 -20.068 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -17.091 -17.731 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.327 -17.951 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.133 -17.764 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -18.559 -19.587 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.697 -19.741 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.857 -21.151 0.239 1.00 0.00 H new ATOM 415 N LYS A 28 -13.607 -18.667 2.440 1.00 0.00 N ATOM 416 CA LYS A 28 -13.598 -17.871 3.656 1.00 0.00 C ATOM 417 C LYS A 28 -14.165 -16.483 3.356 1.00 0.00 C ATOM 418 O LYS A 28 -13.429 -15.580 2.960 1.00 0.00 O ATOM 419 CB LYS A 28 -12.197 -17.844 4.269 1.00 0.00 C ATOM 420 CG LYS A 28 -12.068 -16.714 5.294 1.00 0.00 C ATOM 421 CD LYS A 28 -11.494 -17.233 6.613 1.00 0.00 C ATOM 422 CE LYS A 28 -11.888 -16.324 7.778 1.00 0.00 C ATOM 423 NZ LYS A 28 -11.269 -14.989 7.626 1.00 0.00 N ATOM 0 H LYS A 28 -13.249 -18.187 1.614 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.242 -18.322 4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.988 -18.800 4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.454 -17.712 3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.424 -15.930 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.045 -16.265 5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.856 -18.244 6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.408 -17.291 6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.973 -16.226 7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.572 -16.773 8.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.505 -14.401 8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.236 -15.091 7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.630 -14.535 6.763 1.00 0.00 H new ATOM 433 N GLY A 29 -15.469 -16.354 3.555 1.00 0.00 N ATOM 434 CA GLY A 29 -16.142 -15.090 3.312 1.00 0.00 C ATOM 435 C GLY A 29 -15.689 -14.475 1.986 1.00 0.00 C ATOM 436 O GLY A 29 -14.749 -13.682 1.956 1.00 0.00 O ATOM 0 H GLY A 29 -16.077 -17.105 3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.221 -15.245 3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.932 -14.399 4.128 1.00 0.00 H new ATOM 557 N VAL A 38 -9.178 -1.343 0.028 1.00 0.00 N ATOM 558 CA VAL A 38 -9.627 -1.357 1.409 1.00 0.00 C ATOM 559 C VAL A 38 -9.839 0.081 1.887 1.00 0.00 C ATOM 560 O VAL A 38 -10.753 0.353 2.663 1.00 0.00 O ATOM 561 CB VAL A 38 -8.635 -2.136 2.274 1.00 0.00 C ATOM 562 CG1 VAL A 38 -7.456 -1.251 2.686 1.00 0.00 C ATOM 563 CG2 VAL A 38 -9.327 -2.732 3.501 1.00 0.00 C ATOM 0 HA VAL A 38 -10.584 -1.871 1.494 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.244 -2.960 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.765 -1.828 3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.939 -0.895 1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.823 -0.398 3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.599 -3.281 4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.759 -1.930 4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.117 -3.410 3.179 1.00 0.00 H new ATOM 573 N ASP A 39 -8.977 0.964 1.404 1.00 0.00 N ATOM 574 CA ASP A 39 -9.058 2.366 1.772 1.00 0.00 C ATOM 575 C ASP A 39 -8.101 3.176 0.894 1.00 0.00 C ATOM 576 O ASP A 39 -7.190 2.617 0.282 1.00 0.00 O ATOM 577 CB ASP A 39 -8.652 2.578 3.233 1.00 0.00 C ATOM 578 CG ASP A 39 -9.816 2.755 4.208 1.00 0.00 C ATOM 579 OD1 ASP A 39 -10.906 3.135 3.728 1.00 0.00 O ATOM 580 OD2 ASP A 39 -9.591 2.505 5.411 1.00 0.00 O ATOM 0 H ASP A 39 -8.219 0.735 0.761 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.089 2.691 1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.054 1.726 3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.011 3.458 3.292 1.00 0.00 H new ATOM 584 N GLU A 40 -8.338 4.478 0.859 1.00 0.00 N ATOM 585 CA GLU A 40 -7.510 5.370 0.065 1.00 0.00 C ATOM 586 C GLU A 40 -6.933 6.481 0.945 1.00 0.00 C ATOM 587 O GLU A 40 -7.630 7.024 1.801 1.00 0.00 O ATOM 588 CB GLU A 40 -8.298 5.953 -1.109 1.00 0.00 C ATOM 589 CG GLU A 40 -9.591 6.615 -0.627 1.00 0.00 C ATOM 590 CD GLU A 40 -9.651 8.080 -1.061 1.00 0.00 C ATOM 591 OE1 GLU A 40 -8.660 8.793 -0.796 1.00 0.00 O ATOM 592 OE2 GLU A 40 -10.688 8.455 -1.651 1.00 0.00 O ATOM 0 H GLU A 40 -9.093 4.938 1.368 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.683 4.793 -0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.685 6.685 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.534 5.163 -1.822 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.450 6.078 -1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.654 6.551 0.459 1.00 0.00 H new ATOM 597 N LEU A 41 -5.667 6.788 0.703 1.00 0.00 N ATOM 598 CA LEU A 41 -4.989 7.824 1.462 1.00 0.00 C ATOM 599 C LEU A 41 -4.308 8.796 0.497 1.00 0.00 C ATOM 600 O LEU A 41 -3.843 8.394 -0.568 1.00 0.00 O ATOM 601 CB LEU A 41 -4.035 7.202 2.484 1.00 0.00 C ATOM 602 CG LEU A 41 -4.651 6.178 3.439 1.00 0.00 C ATOM 603 CD1 LEU A 41 -4.599 4.770 2.843 1.00 0.00 C ATOM 604 CD2 LEU A 41 -3.983 6.242 4.814 1.00 0.00 C ATOM 0 H LEU A 41 -5.093 6.337 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.708 8.403 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.219 6.721 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.596 8.004 3.077 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.702 6.430 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.043 4.062 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.155 4.751 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.562 4.492 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.439 5.504 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.919 6.029 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.115 7.238 5.237 1.00 0.00 H new ATOM 615 N ILE A 42 -4.269 10.056 0.905 1.00 0.00 N ATOM 616 CA ILE A 42 -3.654 11.089 0.089 1.00 0.00 C ATOM 617 C ILE A 42 -2.172 11.200 0.449 1.00 0.00 C ATOM 618 O ILE A 42 -1.827 11.504 1.590 1.00 0.00 O ATOM 619 CB ILE A 42 -4.421 12.405 0.222 1.00 0.00 C ATOM 620 CG1 ILE A 42 -5.924 12.187 0.042 1.00 0.00 C ATOM 621 CG2 ILE A 42 -3.874 13.459 -0.744 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.260 11.854 -1.414 1.00 0.00 C ATOM 0 H ILE A 42 -4.654 10.385 1.791 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.707 10.823 -0.967 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.271 12.785 1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.258 11.377 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.464 13.083 0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.437 14.385 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.823 13.644 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.972 13.100 -1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.335 11.704 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.947 12.677 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.737 10.944 -1.709 1.00 0.00 H new ATOM 633 N LEU A 43 -1.333 10.950 -0.545 1.00 0.00 N ATOM 634 CA LEU A 43 0.104 11.020 -0.348 1.00 0.00 C ATOM 635 C LEU A 43 0.635 12.323 -0.952 1.00 0.00 C ATOM 636 O LEU A 43 0.078 12.834 -1.922 1.00 0.00 O ATOM 637 CB LEU A 43 0.784 9.766 -0.902 1.00 0.00 C ATOM 638 CG LEU A 43 -0.147 8.619 -1.300 1.00 0.00 C ATOM 639 CD1 LEU A 43 -0.576 8.742 -2.764 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.495 7.262 -1.003 1.00 0.00 C ATOM 0 H LEU A 43 -1.622 10.698 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 43 0.341 11.040 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.371 10.051 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.485 9.396 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.050 8.687 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.237 7.914 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.102 9.685 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.305 8.714 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.188 6.465 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.424 7.168 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.707 7.185 0.063 1.00 0.00 H new ATOM 651 N PRO A 44 1.733 12.836 -0.334 1.00 0.00 N ATOM 652 CA PRO A 44 2.344 14.071 -0.799 1.00 0.00 C ATOM 653 C PRO A 44 3.132 13.840 -2.089 1.00 0.00 C ATOM 654 O PRO A 44 4.230 14.373 -2.253 1.00 0.00 O ATOM 655 CB PRO A 44 3.215 14.537 0.355 1.00 0.00 C ATOM 656 CG PRO A 44 3.424 13.319 1.240 1.00 0.00 C ATOM 657 CD PRO A 44 2.419 12.259 0.817 1.00 0.00 C ATOM 0 HA PRO A 44 1.609 14.833 -1.058 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.167 14.925 -0.007 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.732 15.343 0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.442 12.943 1.138 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.285 13.581 2.289 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.916 11.325 0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.720 12.033 1.622 1.00 0.00 H new ATOM 662 N PHE A 45 2.545 13.044 -2.970 1.00 0.00 N ATOM 663 CA PHE A 45 3.181 12.735 -4.241 1.00 0.00 C ATOM 664 C PHE A 45 2.694 13.681 -5.341 1.00 0.00 C ATOM 665 O PHE A 45 1.491 13.871 -5.514 1.00 0.00 O ATOM 666 CB PHE A 45 2.784 11.303 -4.602 1.00 0.00 C ATOM 667 CG PHE A 45 3.034 10.939 -6.067 1.00 0.00 C ATOM 668 CD1 PHE A 45 4.214 11.270 -6.658 1.00 0.00 C ATOM 669 CD2 PHE A 45 2.077 10.285 -6.779 1.00 0.00 C ATOM 670 CE1 PHE A 45 4.446 10.932 -8.017 1.00 0.00 C ATOM 671 CE2 PHE A 45 2.310 9.946 -8.138 1.00 0.00 C ATOM 672 CZ PHE A 45 3.489 10.278 -8.729 1.00 0.00 C ATOM 0 H PHE A 45 1.636 12.603 -2.830 1.00 0.00 H new ATOM 0 HA PHE A 45 4.262 12.848 -4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.338 10.612 -3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.726 11.163 -4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.974 11.790 -6.093 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.140 10.024 -6.310 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.383 11.194 -8.486 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.551 9.425 -8.702 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.665 10.022 -9.763 1.00 0.00 H new ATOM 681 N ASN A 46 3.653 14.247 -6.058 1.00 0.00 N ATOM 682 CA ASN A 46 3.338 15.166 -7.139 1.00 0.00 C ATOM 683 C ASN A 46 3.969 14.658 -8.436 1.00 0.00 C ATOM 684 O ASN A 46 4.882 13.834 -8.404 1.00 0.00 O ATOM 685 CB ASN A 46 3.897 16.561 -6.855 1.00 0.00 C ATOM 686 CG ASN A 46 2.783 17.528 -6.453 1.00 0.00 C ATOM 687 OD1 ASN A 46 2.498 17.737 -5.285 1.00 0.00 O ATOM 688 ND2 ASN A 46 2.168 18.104 -7.483 1.00 0.00 N ATOM 0 H ASN A 46 4.650 14.087 -5.912 1.00 0.00 H new ATOM 0 HA ASN A 46 2.253 15.223 -7.228 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.639 16.504 -6.058 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.409 16.938 -7.740 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.409 18.765 -7.319 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.456 17.885 -8.437 1.00 0.00 H new ATOM 694 N VAL A 47 3.460 15.170 -9.545 1.00 0.00 N ATOM 695 CA VAL A 47 3.963 14.780 -10.851 1.00 0.00 C ATOM 696 C VAL A 47 5.341 15.407 -11.070 1.00 0.00 C ATOM 697 O VAL A 47 6.112 14.943 -11.910 1.00 0.00 O ATOM 698 CB VAL A 47 2.954 15.160 -11.936 1.00 0.00 C ATOM 699 CG1 VAL A 47 3.402 14.645 -13.306 1.00 0.00 C ATOM 700 CG2 VAL A 47 1.555 14.646 -11.589 1.00 0.00 C ATOM 0 H VAL A 47 2.703 15.853 -9.567 1.00 0.00 H new ATOM 0 HA VAL A 47 4.086 13.698 -10.905 1.00 0.00 H new ATOM 0 HB VAL A 47 2.909 16.248 -11.984 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.667 14.929 -14.059 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.369 15.080 -13.560 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.490 13.559 -13.276 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.857 14.930 -12.377 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.578 13.560 -11.499 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.231 15.082 -10.644 1.00 0.00 H new ATOM 710 N ASP A 48 5.610 16.450 -10.299 1.00 0.00 N ATOM 711 CA ASP A 48 6.883 17.145 -10.399 1.00 0.00 C ATOM 712 C ASP A 48 7.726 16.834 -9.160 1.00 0.00 C ATOM 713 O ASP A 48 8.389 17.717 -8.619 1.00 0.00 O ATOM 714 CB ASP A 48 6.679 18.660 -10.464 1.00 0.00 C ATOM 715 CG ASP A 48 7.840 19.443 -11.083 1.00 0.00 C ATOM 716 OD1 ASP A 48 8.986 19.192 -10.654 1.00 0.00 O ATOM 717 OD2 ASP A 48 7.554 20.272 -11.972 1.00 0.00 O ATOM 0 H ASP A 48 4.969 16.831 -9.603 1.00 0.00 H new ATOM 0 HA ASP A 48 7.381 16.809 -11.308 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.775 18.866 -11.038 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.507 19.032 -9.454 1.00 0.00 H new ATOM 721 N GLU A 49 7.674 15.576 -8.748 1.00 0.00 N ATOM 722 CA GLU A 49 8.425 15.137 -7.585 1.00 0.00 C ATOM 723 C GLU A 49 8.692 13.633 -7.662 1.00 0.00 C ATOM 724 O GLU A 49 8.646 12.939 -6.647 1.00 0.00 O ATOM 725 CB GLU A 49 7.693 15.500 -6.291 1.00 0.00 C ATOM 726 CG GLU A 49 8.179 16.843 -5.744 1.00 0.00 C ATOM 727 CD GLU A 49 8.866 16.667 -4.387 1.00 0.00 C ATOM 728 OE1 GLU A 49 8.389 15.806 -3.617 1.00 0.00 O ATOM 729 OE2 GLU A 49 9.851 17.399 -4.151 1.00 0.00 O ATOM 0 H GLU A 49 7.123 14.846 -9.200 1.00 0.00 H new ATOM 0 HA GLU A 49 9.384 15.655 -7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.620 15.546 -6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.855 14.720 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.873 17.298 -6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.335 17.525 -5.642 1.00 0.00 H new ATOM 734 N LEU A 50 8.966 13.174 -8.873 1.00 0.00 N ATOM 735 CA LEU A 50 9.241 11.765 -9.096 1.00 0.00 C ATOM 736 C LEU A 50 10.608 11.416 -8.503 1.00 0.00 C ATOM 737 O LEU A 50 10.763 10.382 -7.856 1.00 0.00 O ATOM 738 CB LEU A 50 9.110 11.420 -10.581 1.00 0.00 C ATOM 739 CG LEU A 50 7.687 11.405 -11.142 1.00 0.00 C ATOM 740 CD1 LEU A 50 6.898 10.209 -10.604 1.00 0.00 C ATOM 741 CD2 LEU A 50 6.974 12.731 -10.869 1.00 0.00 C ATOM 0 H LEU A 50 9.004 13.753 -9.712 1.00 0.00 H new ATOM 0 HA LEU A 50 8.503 11.149 -8.583 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.698 12.137 -11.154 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.555 10.439 -10.747 1.00 0.00 H new ATOM 0 HG LEU A 50 7.749 11.290 -12.224 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.890 10.222 -11.018 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.397 9.284 -10.893 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.844 10.268 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.965 12.692 -11.279 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.923 12.902 -9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.526 13.545 -11.340 1.00 0.00 H new ATOM 752 N ASP A 51 11.564 12.301 -8.744 1.00 0.00 N ATOM 753 CA ASP A 51 12.913 12.101 -8.241 1.00 0.00 C ATOM 754 C ASP A 51 12.885 12.091 -6.710 1.00 0.00 C ATOM 755 O ASP A 51 13.442 11.192 -6.082 1.00 0.00 O ATOM 756 CB ASP A 51 13.841 13.231 -8.689 1.00 0.00 C ATOM 757 CG ASP A 51 14.072 13.317 -10.199 1.00 0.00 C ATOM 758 OD1 ASP A 51 13.072 13.176 -10.935 1.00 0.00 O ATOM 759 OD2 ASP A 51 15.245 13.522 -10.583 1.00 0.00 O ATOM 0 H ASP A 51 11.432 13.158 -9.281 1.00 0.00 H new ATOM 0 HA ASP A 51 13.283 11.154 -8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.427 14.179 -8.345 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.805 13.107 -8.196 1.00 0.00 H new ATOM 763 N GLU A 52 12.231 13.102 -6.156 1.00 0.00 N ATOM 764 CA GLU A 52 12.125 13.221 -4.711 1.00 0.00 C ATOM 765 C GLU A 52 11.250 12.098 -4.149 1.00 0.00 C ATOM 766 O GLU A 52 11.499 11.605 -3.050 1.00 0.00 O ATOM 767 CB GLU A 52 11.579 14.594 -4.314 1.00 0.00 C ATOM 768 CG GLU A 52 12.290 15.128 -3.070 1.00 0.00 C ATOM 769 CD GLU A 52 11.451 16.201 -2.376 1.00 0.00 C ATOM 770 OE1 GLU A 52 10.336 15.850 -1.930 1.00 0.00 O ATOM 771 OE2 GLU A 52 11.940 17.349 -2.306 1.00 0.00 O ATOM 0 H GLU A 52 11.770 13.845 -6.681 1.00 0.00 H new ATOM 0 HA GLU A 52 13.123 13.126 -4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.709 15.294 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.508 14.522 -4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.483 14.309 -2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.258 15.543 -3.350 1.00 0.00 H new ATOM 776 N LEU A 53 10.245 11.728 -4.927 1.00 0.00 N ATOM 777 CA LEU A 53 9.331 10.674 -4.520 1.00 0.00 C ATOM 778 C LEU A 53 10.052 9.326 -4.590 1.00 0.00 C ATOM 779 O LEU A 53 9.875 8.478 -3.717 1.00 0.00 O ATOM 780 CB LEU A 53 8.047 10.728 -5.348 1.00 0.00 C ATOM 781 CG LEU A 53 7.063 9.576 -5.138 1.00 0.00 C ATOM 782 CD1 LEU A 53 5.854 10.030 -4.318 1.00 0.00 C ATOM 783 CD2 LEU A 53 6.649 8.957 -6.474 1.00 0.00 C ATOM 0 H LEU A 53 10.043 12.139 -5.838 1.00 0.00 H new ATOM 0 HA LEU A 53 9.021 10.818 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.533 11.663 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.320 10.758 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 53 7.567 8.797 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.170 9.192 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.188 10.386 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.341 10.836 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.949 8.141 -6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.171 9.716 -7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.531 8.573 -6.986 1.00 0.00 H new ATOM 794 N ASN A 54 10.847 9.171 -5.638 1.00 0.00 N ATOM 795 CA ASN A 54 11.595 7.940 -5.834 1.00 0.00 C ATOM 796 C ASN A 54 12.645 7.805 -4.729 1.00 0.00 C ATOM 797 O ASN A 54 12.874 6.711 -4.216 1.00 0.00 O ATOM 798 CB ASN A 54 12.323 7.946 -7.180 1.00 0.00 C ATOM 799 CG ASN A 54 11.526 7.179 -8.237 1.00 0.00 C ATOM 800 OD1 ASN A 54 11.733 6.001 -8.473 1.00 0.00 O ATOM 801 ND2 ASN A 54 10.607 7.914 -8.858 1.00 0.00 N ATOM 0 H ASN A 54 10.990 9.877 -6.360 1.00 0.00 H new ATOM 0 HA ASN A 54 10.890 7.109 -5.809 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.477 8.973 -7.510 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.310 7.497 -7.066 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.023 7.495 -9.582 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.487 8.896 -8.610 1.00 0.00 H new ATOM 807 N THR A 55 13.254 8.933 -4.394 1.00 0.00 N ATOM 808 CA THR A 55 14.275 8.954 -3.360 1.00 0.00 C ATOM 809 C THR A 55 13.661 8.620 -1.998 1.00 0.00 C ATOM 810 O THR A 55 14.202 7.807 -1.253 1.00 0.00 O ATOM 811 CB THR A 55 14.959 10.322 -3.399 1.00 0.00 C ATOM 812 OG1 THR A 55 16.334 10.029 -3.168 1.00 0.00 O ATOM 813 CG2 THR A 55 14.564 11.209 -2.217 1.00 0.00 C ATOM 0 H THR A 55 13.060 9.839 -4.820 1.00 0.00 H new ATOM 0 HA THR A 55 15.033 8.191 -3.536 1.00 0.00 H new ATOM 0 HB THR A 55 14.707 10.827 -4.332 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.852 10.861 -3.179 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.078 12.167 -2.294 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.486 11.373 -2.229 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.846 10.720 -1.285 1.00 0.00 H new ATOM 821 N TRP A 56 12.539 9.267 -1.717 1.00 0.00 N ATOM 822 CA TRP A 56 11.846 9.050 -0.459 1.00 0.00 C ATOM 823 C TRP A 56 11.241 7.645 -0.489 1.00 0.00 C ATOM 824 O TRP A 56 11.397 6.877 0.461 1.00 0.00 O ATOM 825 CB TRP A 56 10.805 10.144 -0.210 1.00 0.00 C ATOM 826 CG TRP A 56 9.369 9.625 -0.116 1.00 0.00 C ATOM 827 CD1 TRP A 56 8.925 8.536 0.526 1.00 0.00 C ATOM 828 CD2 TRP A 56 8.198 10.223 -0.711 1.00 0.00 C ATOM 829 NE1 TRP A 56 7.560 8.388 0.388 1.00 0.00 N ATOM 830 CE2 TRP A 56 7.103 9.448 -0.387 1.00 0.00 C ATOM 831 CE3 TRP A 56 8.068 11.382 -1.497 1.00 0.00 C ATOM 832 CZ2 TRP A 56 5.802 9.746 -0.807 1.00 0.00 C ATOM 833 CZ3 TRP A 56 6.760 11.667 -1.908 1.00 0.00 C ATOM 834 CH2 TRP A 56 5.647 10.895 -1.591 1.00 0.00 C ATOM 0 H TRP A 56 12.093 9.941 -2.339 1.00 0.00 H new ATOM 0 HA TRP A 56 12.540 9.113 0.379 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.054 10.665 0.715 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.864 10.877 -1.014 1.00 0.00 H new ATOM 0 HD1 TRP A 56 9.556 7.859 1.082 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.991 7.639 0.782 1.00 0.00 H new ATOM 0 HE3 TRP A 56 8.911 12.003 -1.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.962 9.122 -0.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.604 12.548 -2.513 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.669 11.181 -1.948 1.00 0.00 H new ATOM 844 N PHE A 57 10.564 7.350 -1.588 1.00 0.00 N ATOM 845 CA PHE A 57 9.935 6.051 -1.754 1.00 0.00 C ATOM 846 C PHE A 57 10.973 4.928 -1.693 1.00 0.00 C ATOM 847 O PHE A 57 10.692 3.846 -1.178 1.00 0.00 O ATOM 848 CB PHE A 57 9.276 6.045 -3.136 1.00 0.00 C ATOM 849 CG PHE A 57 8.620 4.714 -3.507 1.00 0.00 C ATOM 850 CD1 PHE A 57 7.680 4.169 -2.688 1.00 0.00 C ATOM 851 CD2 PHE A 57 8.974 4.077 -4.655 1.00 0.00 C ATOM 852 CE1 PHE A 57 7.070 2.933 -3.033 1.00 0.00 C ATOM 853 CE2 PHE A 57 8.365 2.841 -4.998 1.00 0.00 C ATOM 854 CZ PHE A 57 7.425 2.296 -4.180 1.00 0.00 C ATOM 0 H PHE A 57 10.437 7.989 -2.373 1.00 0.00 H new ATOM 0 HA PHE A 57 9.210 5.884 -0.957 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.523 6.832 -3.171 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.028 6.290 -3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 57 7.398 4.675 -1.777 1.00 0.00 H new ATOM 0 HD2 PHE A 57 9.718 4.511 -5.306 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.324 2.499 -2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.648 2.334 -5.908 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.961 1.357 -4.442 1.00 0.00 H new ATOM 863 N ASP A 58 12.149 5.223 -2.225 1.00 0.00 N ATOM 864 CA ASP A 58 13.230 4.252 -2.237 1.00 0.00 C ATOM 865 C ASP A 58 13.646 3.939 -0.800 1.00 0.00 C ATOM 866 O ASP A 58 13.855 2.780 -0.448 1.00 0.00 O ATOM 867 CB ASP A 58 14.453 4.798 -2.976 1.00 0.00 C ATOM 868 CG ASP A 58 15.690 3.898 -2.931 1.00 0.00 C ATOM 869 OD1 ASP A 58 16.171 3.649 -1.804 1.00 0.00 O ATOM 870 OD2 ASP A 58 16.128 3.480 -4.025 1.00 0.00 O ATOM 0 H ASP A 58 12.378 6.121 -2.651 1.00 0.00 H new ATOM 0 HA ASP A 58 12.872 3.356 -2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.183 4.968 -4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.712 5.768 -2.552 1.00 0.00 H new ATOM 874 N LYS A 59 13.754 4.996 -0.006 1.00 0.00 N ATOM 875 CA LYS A 59 14.143 4.848 1.387 1.00 0.00 C ATOM 876 C LYS A 59 12.997 4.199 2.165 1.00 0.00 C ATOM 877 O LYS A 59 13.213 3.242 2.909 1.00 0.00 O ATOM 878 CB LYS A 59 14.592 6.193 1.962 1.00 0.00 C ATOM 879 CG LYS A 59 15.052 6.044 3.413 1.00 0.00 C ATOM 880 CD LYS A 59 13.855 5.961 4.363 1.00 0.00 C ATOM 881 CE LYS A 59 14.243 6.404 5.775 1.00 0.00 C ATOM 882 NZ LYS A 59 13.843 7.810 6.007 1.00 0.00 N ATOM 0 H LYS A 59 13.579 5.957 -0.301 1.00 0.00 H new ATOM 0 HA LYS A 59 15.004 4.185 1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.405 6.597 1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.771 6.907 1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.664 5.147 3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.681 6.891 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.046 6.590 3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.478 4.939 4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.763 5.758 6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.319 6.299 5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.114 8.094 6.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.321 8.425 5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.813 7.901 5.897 1.00 0.00 H new ATOM 892 N PHE A 60 11.806 4.743 1.968 1.00 0.00 N ATOM 893 CA PHE A 60 10.628 4.227 2.643 1.00 0.00 C ATOM 894 C PHE A 60 10.319 2.798 2.191 1.00 0.00 C ATOM 895 O PHE A 60 9.808 1.995 2.969 1.00 0.00 O ATOM 896 CB PHE A 60 9.457 5.135 2.255 1.00 0.00 C ATOM 897 CG PHE A 60 8.689 5.703 3.450 1.00 0.00 C ATOM 898 CD1 PHE A 60 7.974 4.874 4.256 1.00 0.00 C ATOM 899 CD2 PHE A 60 8.722 7.039 3.706 1.00 0.00 C ATOM 900 CE1 PHE A 60 7.261 5.403 5.364 1.00 0.00 C ATOM 901 CE2 PHE A 60 8.010 7.566 4.815 1.00 0.00 C ATOM 902 CZ PHE A 60 7.294 6.737 5.621 1.00 0.00 C ATOM 0 H PHE A 60 11.631 5.536 1.351 1.00 0.00 H new ATOM 0 HA PHE A 60 10.793 4.212 3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 60 9.835 5.961 1.653 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.767 4.572 1.627 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.948 3.813 4.054 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.290 7.698 3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.692 4.744 6.003 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.037 8.626 5.019 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.752 7.138 6.465 1.00 0.00 H new ATOM 911 N ASP A 61 10.643 2.524 0.936 1.00 0.00 N ATOM 912 CA ASP A 61 10.409 1.206 0.373 1.00 0.00 C ATOM 913 C ASP A 61 11.156 0.161 1.203 1.00 0.00 C ATOM 914 O ASP A 61 10.605 -0.889 1.529 1.00 0.00 O ATOM 915 CB ASP A 61 10.922 1.122 -1.066 1.00 0.00 C ATOM 916 CG ASP A 61 10.959 -0.288 -1.658 1.00 0.00 C ATOM 917 OD1 ASP A 61 11.867 -1.048 -1.256 1.00 0.00 O ATOM 918 OD2 ASP A 61 10.081 -0.573 -2.500 1.00 0.00 O ATOM 0 H ASP A 61 11.066 3.193 0.293 1.00 0.00 H new ATOM 0 HA ASP A 61 9.335 1.021 0.384 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.292 1.748 -1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.927 1.542 -1.102 1.00 0.00 H new ATOM 922 N ALA A 62 12.403 0.484 1.519 1.00 0.00 N ATOM 923 CA ALA A 62 13.232 -0.413 2.305 1.00 0.00 C ATOM 924 C ALA A 62 12.737 -0.424 3.752 1.00 0.00 C ATOM 925 O ALA A 62 12.633 -1.483 4.370 1.00 0.00 O ATOM 926 CB ALA A 62 14.697 0.015 2.192 1.00 0.00 C ATOM 0 H ALA A 62 12.858 1.355 1.244 1.00 0.00 H new ATOM 0 HA ALA A 62 13.160 -1.432 1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.319 -0.658 2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.008 -0.025 1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.809 1.033 2.565 1.00 0.00 H new ATOM 932 N GLU A 63 12.444 0.768 4.252 1.00 0.00 N ATOM 933 CA GLU A 63 11.963 0.911 5.615 1.00 0.00 C ATOM 934 C GLU A 63 10.629 0.180 5.786 1.00 0.00 C ATOM 935 O GLU A 63 10.284 -0.240 6.890 1.00 0.00 O ATOM 936 CB GLU A 63 11.833 2.387 6.001 1.00 0.00 C ATOM 937 CG GLU A 63 13.042 2.848 6.815 1.00 0.00 C ATOM 938 CD GLU A 63 12.660 3.984 7.768 1.00 0.00 C ATOM 939 OE1 GLU A 63 11.882 4.857 7.326 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.155 3.952 8.915 1.00 0.00 O ATOM 0 H GLU A 63 12.531 1.644 3.737 1.00 0.00 H new ATOM 0 HA GLU A 63 12.693 0.458 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.742 2.995 5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.922 2.536 6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.443 2.010 7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.832 3.183 6.142 1.00 0.00 H new ATOM 945 N ILE A 64 9.915 0.052 4.678 1.00 0.00 N ATOM 946 CA ILE A 64 8.627 -0.620 4.690 1.00 0.00 C ATOM 947 C ILE A 64 8.832 -2.113 4.420 1.00 0.00 C ATOM 948 O ILE A 64 8.081 -2.948 4.921 1.00 0.00 O ATOM 949 CB ILE A 64 7.661 0.053 3.714 1.00 0.00 C ATOM 950 CG1 ILE A 64 6.989 1.267 4.358 1.00 0.00 C ATOM 951 CG2 ILE A 64 6.638 -0.949 3.175 1.00 0.00 C ATOM 952 CD1 ILE A 64 5.655 0.879 5.000 1.00 0.00 C ATOM 0 H ILE A 64 10.204 0.403 3.765 1.00 0.00 H new ATOM 0 HA ILE A 64 8.163 -0.533 5.672 1.00 0.00 H new ATOM 0 HB ILE A 64 8.235 0.416 2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.649 1.695 5.113 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.824 2.038 3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.964 -0.444 2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.157 -1.754 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.064 -1.364 4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.198 1.760 5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.989 0.474 4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.827 0.126 5.769 1.00 0.00 H new ATOM 963 N CYS A 65 9.855 -2.403 3.628 1.00 0.00 N ATOM 964 CA CYS A 65 10.169 -3.780 3.286 1.00 0.00 C ATOM 965 C CYS A 65 10.890 -4.417 4.476 1.00 0.00 C ATOM 966 O CYS A 65 10.782 -5.623 4.698 1.00 0.00 O ATOM 967 CB CYS A 65 10.998 -3.868 2.002 1.00 0.00 C ATOM 968 SG CYS A 65 12.782 -3.890 2.409 1.00 0.00 S ATOM 0 H CYS A 65 10.476 -1.708 3.214 1.00 0.00 H new ATOM 0 HA CYS A 65 9.248 -4.328 3.085 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.732 -4.768 1.448 1.00 0.00 H new ATOM 0 HB3 CYS A 65 10.774 -3.019 1.356 1.00 0.00 H new ATOM 0 HG CYS A 65 13.069 -2.865 3.156 1.00 0.00 H new ATOM 973 N ILE A 66 11.609 -3.581 5.209 1.00 0.00 N ATOM 974 CA ILE A 66 12.348 -4.048 6.370 1.00 0.00 C ATOM 975 C ILE A 66 11.392 -4.775 7.318 1.00 0.00 C ATOM 976 O ILE A 66 11.640 -5.918 7.700 1.00 0.00 O ATOM 977 CB ILE A 66 13.103 -2.890 7.027 1.00 0.00 C ATOM 978 CG1 ILE A 66 14.574 -2.887 6.608 1.00 0.00 C ATOM 979 CG2 ILE A 66 12.940 -2.924 8.548 1.00 0.00 C ATOM 980 CD1 ILE A 66 14.710 -2.824 5.085 1.00 0.00 C ATOM 0 H ILE A 66 11.696 -2.582 5.022 1.00 0.00 H new ATOM 0 HA ILE A 66 13.111 -4.767 6.072 1.00 0.00 H new ATOM 0 HB ILE A 66 12.667 -1.954 6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 66 15.082 -2.034 7.058 1.00 0.00 H new ATOM 0 HG13 ILE A 66 15.065 -3.785 6.984 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.486 -2.091 8.991 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.883 -2.842 8.803 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.335 -3.863 8.935 1.00 0.00 H new ATOM 0 HD11 ILE A 66 15.766 -2.823 4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 66 14.222 -3.691 4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 66 14.240 -1.913 4.715 1.00 0.00 H new ATOM 991 N PRO A 67 10.290 -4.065 7.679 1.00 0.00 N ATOM 992 CA PRO A 67 9.296 -4.631 8.575 1.00 0.00 C ATOM 993 C PRO A 67 8.433 -5.669 7.855 1.00 0.00 C ATOM 994 O PRO A 67 7.526 -6.247 8.449 1.00 0.00 O ATOM 995 CB PRO A 67 8.497 -3.439 9.078 1.00 0.00 C ATOM 996 CG PRO A 67 8.766 -2.312 8.094 1.00 0.00 C ATOM 997 CD PRO A 67 9.961 -2.710 7.245 1.00 0.00 C ATOM 0 HA PRO A 67 9.742 -5.176 9.407 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.433 -3.673 9.123 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.805 -3.160 10.086 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.893 -2.137 7.466 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.968 -1.382 8.625 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.719 -2.682 6.183 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.799 -2.031 7.398 1.00 0.00 H new ATOM 1002 N ASN A 68 8.748 -5.872 6.583 1.00 0.00 N ATOM 1003 CA ASN A 68 8.012 -6.830 5.775 1.00 0.00 C ATOM 1004 C ASN A 68 8.793 -8.144 5.713 1.00 0.00 C ATOM 1005 O ASN A 68 10.023 -8.139 5.677 1.00 0.00 O ATOM 1006 CB ASN A 68 7.832 -6.319 4.345 1.00 0.00 C ATOM 1007 CG ASN A 68 7.008 -5.031 4.323 1.00 0.00 C ATOM 1008 OD1 ASN A 68 6.404 -4.632 5.305 1.00 0.00 O ATOM 1009 ND2 ASN A 68 7.012 -4.405 3.149 1.00 0.00 N ATOM 0 H ASN A 68 9.502 -5.390 6.093 1.00 0.00 H new ATOM 0 HA ASN A 68 7.033 -6.976 6.232 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.808 -6.138 3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.338 -7.081 3.742 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.488 -3.538 3.032 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.539 -4.793 2.366 1.00 0.00 H new ATOM 1015 N GLU A 69 8.047 -9.239 5.702 1.00 0.00 N ATOM 1016 CA GLU A 69 8.653 -10.558 5.644 1.00 0.00 C ATOM 1017 C GLU A 69 7.999 -11.394 4.542 1.00 0.00 C ATOM 1018 O GLU A 69 7.382 -12.421 4.823 1.00 0.00 O ATOM 1019 CB GLU A 69 8.560 -11.264 6.998 1.00 0.00 C ATOM 1020 CG GLU A 69 9.839 -11.059 7.812 1.00 0.00 C ATOM 1021 CD GLU A 69 10.328 -12.382 8.408 1.00 0.00 C ATOM 1022 OE1 GLU A 69 10.721 -13.255 7.605 1.00 0.00 O ATOM 1023 OE2 GLU A 69 10.296 -12.489 9.653 1.00 0.00 O ATOM 0 H GLU A 69 7.027 -9.239 5.732 1.00 0.00 H new ATOM 0 HA GLU A 69 9.710 -10.441 5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.705 -10.880 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.389 -12.330 6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.615 -10.634 7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.654 -10.342 8.612 1.00 0.00 H new ATOM 1028 N GLY A 70 8.158 -10.926 3.314 1.00 0.00 N ATOM 1029 CA GLY A 70 7.591 -11.619 2.170 1.00 0.00 C ATOM 1030 C GLY A 70 7.728 -10.779 0.897 1.00 0.00 C ATOM 1031 O GLY A 70 8.575 -9.890 0.824 1.00 0.00 O ATOM 0 H GLY A 70 8.672 -10.075 3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.094 -12.576 2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.539 -11.835 2.356 1.00 0.00 H new ATOM 1035 N HIS A 71 6.881 -11.091 -0.073 1.00 0.00 N ATOM 1036 CA HIS A 71 6.896 -10.376 -1.338 1.00 0.00 C ATOM 1037 C HIS A 71 5.850 -9.260 -1.309 1.00 0.00 C ATOM 1038 O HIS A 71 4.835 -9.373 -0.622 1.00 0.00 O ATOM 1039 CB HIS A 71 6.702 -11.340 -2.510 1.00 0.00 C ATOM 1040 CG HIS A 71 7.816 -12.347 -2.668 1.00 0.00 C ATOM 1041 ND1 HIS A 71 7.596 -13.654 -3.067 1.00 0.00 N ATOM 1042 CD2 HIS A 71 9.162 -12.225 -2.477 1.00 0.00 C ATOM 1043 CE1 HIS A 71 8.762 -14.280 -3.111 1.00 0.00 C ATOM 1044 NE2 HIS A 71 9.731 -13.393 -2.744 1.00 0.00 N ATOM 0 H HIS A 71 6.180 -11.829 -0.008 1.00 0.00 H new ATOM 0 HA HIS A 71 7.870 -9.910 -1.484 1.00 0.00 H new ATOM 0 HB2 HIS A 71 5.761 -11.873 -2.377 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.614 -10.763 -3.431 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.677 -11.329 -2.162 1.00 0.00 H new ATOM 0 HE1 HIS A 71 8.918 -15.312 -3.389 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.729 -13.595 -2.685 1.00 0.00 H new ATOM 1051 N ILE A 72 6.133 -8.207 -2.062 1.00 0.00 N ATOM 1052 CA ILE A 72 5.229 -7.073 -2.132 1.00 0.00 C ATOM 1053 C ILE A 72 5.240 -6.504 -3.553 1.00 0.00 C ATOM 1054 O ILE A 72 6.272 -6.512 -4.221 1.00 0.00 O ATOM 1055 CB ILE A 72 5.578 -6.042 -1.056 1.00 0.00 C ATOM 1056 CG1 ILE A 72 6.594 -5.024 -1.579 1.00 0.00 C ATOM 1057 CG2 ILE A 72 6.062 -6.729 0.224 1.00 0.00 C ATOM 1058 CD1 ILE A 72 7.056 -4.087 -0.461 1.00 0.00 C ATOM 0 H ILE A 72 6.976 -8.116 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 72 4.207 -7.388 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 72 4.672 -5.491 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.454 -5.546 -2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.149 -4.442 -2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.304 -5.975 0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.277 -7.381 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.951 -7.321 0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.777 -3.374 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.197 -3.549 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.523 -4.670 0.333 1.00 0.00 H new ATOM 1069 N LYS A 73 4.078 -6.025 -3.972 1.00 0.00 N ATOM 1070 CA LYS A 73 3.939 -5.455 -5.301 1.00 0.00 C ATOM 1071 C LYS A 73 3.172 -4.135 -5.208 1.00 0.00 C ATOM 1072 O LYS A 73 2.254 -4.002 -4.401 1.00 0.00 O ATOM 1073 CB LYS A 73 3.306 -6.469 -6.256 1.00 0.00 C ATOM 1074 CG LYS A 73 1.782 -6.335 -6.267 1.00 0.00 C ATOM 1075 CD LYS A 73 1.142 -7.408 -7.147 1.00 0.00 C ATOM 1076 CE LYS A 73 -0.041 -6.840 -7.934 1.00 0.00 C ATOM 1077 NZ LYS A 73 -0.133 -7.479 -9.265 1.00 0.00 N ATOM 0 H LYS A 73 3.224 -6.020 -3.414 1.00 0.00 H new ATOM 0 HA LYS A 73 4.918 -5.225 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.695 -6.318 -7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.584 -7.479 -5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.399 -6.418 -5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.503 -5.347 -6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.885 -7.807 -7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.805 -8.239 -6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.966 -7.004 -7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.075 -5.762 -8.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.941 -7.082 -9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.743 -7.301 -9.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.266 -8.504 -9.150 1.00 0.00 H new ATOM 1087 N TYR A 74 3.578 -3.191 -6.046 1.00 0.00 N ATOM 1088 CA TYR A 74 2.940 -1.885 -6.068 1.00 0.00 C ATOM 1089 C TYR A 74 2.797 -1.370 -7.501 1.00 0.00 C ATOM 1090 O TYR A 74 3.481 -1.845 -8.406 1.00 0.00 O ATOM 1091 CB TYR A 74 3.867 -0.951 -5.291 1.00 0.00 C ATOM 1092 CG TYR A 74 5.354 -1.157 -5.590 1.00 0.00 C ATOM 1093 CD1 TYR A 74 5.919 -0.575 -6.706 1.00 0.00 C ATOM 1094 CD2 TYR A 74 6.127 -1.926 -4.744 1.00 0.00 C ATOM 1095 CE1 TYR A 74 7.319 -0.770 -6.987 1.00 0.00 C ATOM 1096 CE2 TYR A 74 7.525 -2.120 -5.026 1.00 0.00 C ATOM 1097 CZ TYR A 74 8.052 -1.533 -6.134 1.00 0.00 C ATOM 1098 OH TYR A 74 9.373 -1.717 -6.400 1.00 0.00 O ATOM 0 H TYR A 74 4.340 -3.305 -6.714 1.00 0.00 H new ATOM 0 HA TYR A 74 1.941 -1.937 -5.634 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.601 0.081 -5.520 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.699 -1.094 -4.224 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.313 0.026 -7.368 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.683 -2.382 -3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.776 -0.320 -7.856 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.142 -2.719 -4.372 1.00 0.00 H new ATOM 0 HH TYR A 74 9.771 -2.283 -5.706 1.00 0.00 H new ATOM 1107 N GLU A 75 1.906 -0.403 -7.662 1.00 0.00 N ATOM 1108 CA GLU A 75 1.665 0.183 -8.969 1.00 0.00 C ATOM 1109 C GLU A 75 1.507 1.700 -8.850 1.00 0.00 C ATOM 1110 O GLU A 75 0.562 2.184 -8.230 1.00 0.00 O ATOM 1111 CB GLU A 75 0.438 -0.445 -9.634 1.00 0.00 C ATOM 1112 CG GLU A 75 0.751 -0.872 -11.070 1.00 0.00 C ATOM 1113 CD GLU A 75 1.067 -2.367 -11.140 1.00 0.00 C ATOM 1114 OE1 GLU A 75 0.120 -3.158 -10.941 1.00 0.00 O ATOM 1115 OE2 GLU A 75 2.249 -2.685 -11.392 1.00 0.00 O ATOM 0 H GLU A 75 1.342 -0.011 -6.908 1.00 0.00 H new ATOM 0 HA GLU A 75 2.527 -0.024 -9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.110 -1.310 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.385 0.269 -9.634 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.099 -0.646 -11.714 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.598 -0.299 -11.447 1.00 0.00 H new ATOM 1120 N ILE A 76 2.451 2.409 -9.454 1.00 0.00 N ATOM 1121 CA ILE A 76 2.428 3.862 -9.425 1.00 0.00 C ATOM 1122 C ILE A 76 2.366 4.397 -10.856 1.00 0.00 C ATOM 1123 O ILE A 76 3.286 4.184 -11.642 1.00 0.00 O ATOM 1124 CB ILE A 76 3.612 4.399 -8.618 1.00 0.00 C ATOM 1125 CG1 ILE A 76 3.429 4.124 -7.124 1.00 0.00 C ATOM 1126 CG2 ILE A 76 3.840 5.885 -8.903 1.00 0.00 C ATOM 1127 CD1 ILE A 76 4.537 4.786 -6.304 1.00 0.00 C ATOM 0 H ILE A 76 3.235 2.004 -9.965 1.00 0.00 H new ATOM 0 HA ILE A 76 1.534 4.219 -8.914 1.00 0.00 H new ATOM 0 HB ILE A 76 4.510 3.868 -8.935 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.458 4.498 -6.798 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.433 3.049 -6.946 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.687 6.242 -8.317 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.048 6.024 -9.964 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.947 6.449 -8.631 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.382 4.575 -5.246 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.505 4.392 -6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.515 5.864 -6.466 1.00 0.00 H new ATOM 1138 N SER A 77 1.271 5.082 -11.151 1.00 0.00 N ATOM 1139 CA SER A 77 1.076 5.648 -12.475 1.00 0.00 C ATOM 1140 C SER A 77 1.402 7.143 -12.459 1.00 0.00 C ATOM 1141 O SER A 77 0.800 7.904 -11.701 1.00 0.00 O ATOM 1142 CB SER A 77 -0.355 5.422 -12.967 1.00 0.00 C ATOM 1143 OG SER A 77 -0.404 4.530 -14.077 1.00 0.00 O ATOM 0 H SER A 77 0.509 5.258 -10.496 1.00 0.00 H new ATOM 0 HA SER A 77 1.752 5.143 -13.165 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.959 5.021 -12.153 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.796 6.378 -13.250 1.00 0.00 H new ATOM 0 HG SER A 77 -0.547 5.041 -14.901 1.00 0.00 H new ATOM 1148 N SER A 78 2.350 7.519 -13.303 1.00 0.00 N ATOM 1149 CA SER A 78 2.763 8.909 -13.394 1.00 0.00 C ATOM 1150 C SER A 78 1.541 9.804 -13.617 1.00 0.00 C ATOM 1151 O SER A 78 1.573 10.993 -13.304 1.00 0.00 O ATOM 1152 CB SER A 78 3.780 9.110 -14.520 1.00 0.00 C ATOM 1153 OG SER A 78 4.981 8.378 -14.291 1.00 0.00 O ATOM 0 H SER A 78 2.845 6.885 -13.931 1.00 0.00 H new ATOM 0 HA SER A 78 3.242 9.185 -12.455 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.339 8.797 -15.467 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.014 10.171 -14.612 1.00 0.00 H new ATOM 0 HG SER A 78 5.604 8.531 -15.032 1.00 0.00 H new ATOM 1158 N ASP A 79 0.494 9.197 -14.155 1.00 0.00 N ATOM 1159 CA ASP A 79 -0.736 9.922 -14.424 1.00 0.00 C ATOM 1160 C ASP A 79 -1.265 10.521 -13.119 1.00 0.00 C ATOM 1161 O ASP A 79 -1.923 11.561 -13.131 1.00 0.00 O ATOM 1162 CB ASP A 79 -1.812 8.994 -14.990 1.00 0.00 C ATOM 1163 CG ASP A 79 -1.372 8.149 -16.188 1.00 0.00 C ATOM 1164 OD1 ASP A 79 -0.847 7.043 -15.939 1.00 0.00 O ATOM 1165 OD2 ASP A 79 -1.571 8.630 -17.323 1.00 0.00 O ATOM 0 H ASP A 79 0.472 8.210 -14.412 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.515 10.702 -15.153 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.148 8.326 -14.197 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.671 9.596 -15.285 1.00 0.00 H new ATOM 1169 N GLY A 80 -0.960 9.837 -12.026 1.00 0.00 N ATOM 1170 CA GLY A 80 -1.398 10.287 -10.716 1.00 0.00 C ATOM 1171 C GLY A 80 -2.237 9.214 -10.020 1.00 0.00 C ATOM 1172 O GLY A 80 -3.233 9.525 -9.367 1.00 0.00 O ATOM 0 H GLY A 80 -0.415 8.975 -12.021 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.531 10.530 -10.102 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.983 11.201 -10.818 1.00 0.00 H new ATOM 1176 N LEU A 81 -1.805 7.972 -10.181 1.00 0.00 N ATOM 1177 CA LEU A 81 -2.503 6.851 -9.577 1.00 0.00 C ATOM 1178 C LEU A 81 -1.494 5.952 -8.861 1.00 0.00 C ATOM 1179 O LEU A 81 -0.518 5.505 -9.463 1.00 0.00 O ATOM 1180 CB LEU A 81 -3.346 6.117 -10.622 1.00 0.00 C ATOM 1181 CG LEU A 81 -4.766 5.744 -10.196 1.00 0.00 C ATOM 1182 CD1 LEU A 81 -5.463 6.922 -9.514 1.00 0.00 C ATOM 1183 CD2 LEU A 81 -5.571 5.209 -11.383 1.00 0.00 C ATOM 0 H LEU A 81 -0.979 7.717 -10.722 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.207 7.204 -8.824 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.408 6.741 -11.514 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.822 5.205 -10.907 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.702 4.941 -9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.471 6.628 -9.222 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.899 7.215 -8.628 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.516 7.763 -10.205 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.577 4.951 -11.053 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.628 5.973 -12.158 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.082 4.321 -11.784 1.00 0.00 H new ATOM 1194 N ILE A 82 -1.760 5.714 -7.585 1.00 0.00 N ATOM 1195 CA ILE A 82 -0.887 4.878 -6.780 1.00 0.00 C ATOM 1196 C ILE A 82 -1.717 3.789 -6.097 1.00 0.00 C ATOM 1197 O ILE A 82 -2.708 4.086 -5.431 1.00 0.00 O ATOM 1198 CB ILE A 82 -0.073 5.732 -5.807 1.00 0.00 C ATOM 1199 CG1 ILE A 82 0.624 6.882 -6.538 1.00 0.00 C ATOM 1200 CG2 ILE A 82 0.914 4.873 -5.016 1.00 0.00 C ATOM 1201 CD1 ILE A 82 -0.278 8.116 -6.603 1.00 0.00 C ATOM 0 H ILE A 82 -2.569 6.087 -7.088 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.156 4.373 -7.412 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.759 6.177 -5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.553 7.133 -6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.890 6.568 -7.547 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.480 5.505 -4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.367 4.121 -4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.600 4.379 -5.705 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.241 8.919 -7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.196 7.868 -7.136 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.522 8.442 -5.592 1.00 0.00 H new ATOM 1212 N VAL A 83 -1.283 2.552 -6.286 1.00 0.00 N ATOM 1213 CA VAL A 83 -1.975 1.417 -5.697 1.00 0.00 C ATOM 1214 C VAL A 83 -0.958 0.509 -5.005 1.00 0.00 C ATOM 1215 O VAL A 83 0.166 0.354 -5.481 1.00 0.00 O ATOM 1216 CB VAL A 83 -2.795 0.692 -6.767 1.00 0.00 C ATOM 1217 CG1 VAL A 83 -1.882 0.023 -7.796 1.00 0.00 C ATOM 1218 CG2 VAL A 83 -3.745 -0.326 -6.133 1.00 0.00 C ATOM 0 H VAL A 83 -0.461 2.310 -6.839 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.681 1.752 -4.937 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.399 1.435 -7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.489 -0.485 -8.545 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.265 0.779 -8.281 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.240 -0.703 -7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.316 -0.827 -6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.168 -1.064 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.429 0.187 -5.457 1.00 0.00 H new ATOM 1228 N LEU A 84 -1.389 -0.069 -3.893 1.00 0.00 N ATOM 1229 CA LEU A 84 -0.530 -0.958 -3.130 1.00 0.00 C ATOM 1230 C LEU A 84 -1.180 -2.340 -3.045 1.00 0.00 C ATOM 1231 O LEU A 84 -2.342 -2.460 -2.660 1.00 0.00 O ATOM 1232 CB LEU A 84 -0.202 -0.347 -1.766 1.00 0.00 C ATOM 1233 CG LEU A 84 1.194 -0.645 -1.215 1.00 0.00 C ATOM 1234 CD1 LEU A 84 1.217 -1.984 -0.475 1.00 0.00 C ATOM 1235 CD2 LEU A 84 2.245 -0.586 -2.324 1.00 0.00 C ATOM 0 H LEU A 84 -2.322 0.061 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 84 0.428 -1.087 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.320 0.734 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.939 -0.701 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 84 1.447 0.128 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.221 -2.172 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.513 -1.952 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.934 -2.783 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.228 -0.802 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.007 -1.324 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.250 0.409 -2.768 1.00 0.00 H new ATOM 1246 N MET A 85 -0.402 -3.349 -3.410 1.00 0.00 N ATOM 1247 CA MET A 85 -0.888 -4.718 -3.380 1.00 0.00 C ATOM 1248 C MET A 85 -0.043 -5.580 -2.441 1.00 0.00 C ATOM 1249 O MET A 85 1.146 -5.785 -2.681 1.00 0.00 O ATOM 1250 CB MET A 85 -0.843 -5.306 -4.792 1.00 0.00 C ATOM 1251 CG MET A 85 -2.031 -4.824 -5.626 1.00 0.00 C ATOM 1252 SD MET A 85 -1.452 -3.886 -7.029 1.00 0.00 S ATOM 1253 CE MET A 85 -0.620 -2.550 -6.188 1.00 0.00 C ATOM 0 H MET A 85 0.562 -3.245 -3.728 1.00 0.00 H new ATOM 0 HA MET A 85 -1.914 -4.712 -3.011 1.00 0.00 H new ATOM 0 HB2 MET A 85 0.088 -5.019 -5.280 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.851 -6.395 -4.737 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.617 -5.678 -5.966 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.690 -4.208 -5.014 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.227 -1.846 -6.922 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.325 -2.036 -5.534 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.201 -2.950 -5.593 1.00 0.00 H new ATOM 1261 N LEU A 86 -0.689 -6.060 -1.389 1.00 0.00 N ATOM 1262 CA LEU A 86 -0.012 -6.896 -0.412 1.00 0.00 C ATOM 1263 C LEU A 86 -0.832 -8.166 -0.178 1.00 0.00 C ATOM 1264 O LEU A 86 -2.060 -8.137 -0.243 1.00 0.00 O ATOM 1265 CB LEU A 86 0.271 -6.104 0.866 1.00 0.00 C ATOM 1266 CG LEU A 86 0.936 -4.739 0.676 1.00 0.00 C ATOM 1267 CD1 LEU A 86 0.985 -3.965 1.995 1.00 0.00 C ATOM 1268 CD2 LEU A 86 2.322 -4.887 0.046 1.00 0.00 C ATOM 0 H LEU A 86 -1.674 -5.886 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 86 0.962 -7.209 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.671 -5.957 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.907 -6.709 1.511 1.00 0.00 H new ATOM 0 HG LEU A 86 0.329 -4.156 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.462 -2.999 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.029 -3.811 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.557 -4.533 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.772 -3.902 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.953 -5.496 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.230 -5.369 -0.927 1.00 0.00 H new ATOM 1279 N ASP A 87 -0.119 -9.252 0.087 1.00 0.00 N ATOM 1280 CA ASP A 87 -0.765 -10.530 0.331 1.00 0.00 C ATOM 1281 C ASP A 87 -1.218 -10.595 1.791 1.00 0.00 C ATOM 1282 O ASP A 87 -0.867 -9.732 2.594 1.00 0.00 O ATOM 1283 CB ASP A 87 0.200 -11.691 0.082 1.00 0.00 C ATOM 1284 CG ASP A 87 0.176 -12.259 -1.338 1.00 0.00 C ATOM 1285 OD1 ASP A 87 0.843 -11.650 -2.204 1.00 0.00 O ATOM 1286 OD2 ASP A 87 -0.509 -13.286 -1.529 1.00 0.00 O ATOM 0 H ASP A 87 0.900 -9.272 0.138 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.613 -10.615 -0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.213 -11.356 0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.033 -12.493 0.782 1.00 0.00 H new ATOM 1290 N LYS A 88 -1.992 -11.629 2.091 1.00 0.00 N ATOM 1291 CA LYS A 88 -2.497 -11.820 3.440 1.00 0.00 C ATOM 1292 C LYS A 88 -1.356 -12.290 4.345 1.00 0.00 C ATOM 1293 O LYS A 88 -1.348 -12.001 5.540 1.00 0.00 O ATOM 1294 CB LYS A 88 -3.703 -12.760 3.434 1.00 0.00 C ATOM 1295 CG LYS A 88 -4.401 -12.768 4.795 1.00 0.00 C ATOM 1296 CD LYS A 88 -5.681 -11.933 4.762 1.00 0.00 C ATOM 1297 CE LYS A 88 -6.214 -11.689 6.174 1.00 0.00 C ATOM 1298 NZ LYS A 88 -7.631 -12.107 6.273 1.00 0.00 N ATOM 0 H LYS A 88 -2.281 -12.343 1.422 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.860 -10.876 3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.407 -12.448 2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.380 -13.770 3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.639 -13.793 5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.726 -12.375 5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.484 -10.978 4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.438 -12.445 4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.614 -12.243 6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.122 -10.633 6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.977 -11.934 7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.202 -11.560 5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.710 -13.120 6.053 1.00 0.00 H new ATOM 1308 N GLU A 89 -0.420 -13.007 3.740 1.00 0.00 N ATOM 1309 CA GLU A 89 0.723 -13.519 4.475 1.00 0.00 C ATOM 1310 C GLU A 89 1.630 -12.370 4.915 1.00 0.00 C ATOM 1311 O GLU A 89 2.517 -12.556 5.746 1.00 0.00 O ATOM 1312 CB GLU A 89 1.498 -14.541 3.642 1.00 0.00 C ATOM 1313 CG GLU A 89 2.100 -13.888 2.395 1.00 0.00 C ATOM 1314 CD GLU A 89 1.866 -14.755 1.156 1.00 0.00 C ATOM 1315 OE1 GLU A 89 0.743 -15.293 1.043 1.00 0.00 O ATOM 1316 OE2 GLU A 89 2.814 -14.859 0.348 1.00 0.00 O ATOM 0 H GLU A 89 -0.431 -13.245 2.748 1.00 0.00 H new ATOM 0 HA GLU A 89 0.357 -14.028 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.292 -14.981 4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.834 -15.354 3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.655 -12.904 2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.169 -13.736 2.540 1.00 0.00 H new ATOM 1321 N ILE A 90 1.378 -11.204 4.336 1.00 0.00 N ATOM 1322 CA ILE A 90 2.162 -10.024 4.657 1.00 0.00 C ATOM 1323 C ILE A 90 1.220 -8.876 5.025 1.00 0.00 C ATOM 1324 O ILE A 90 1.528 -7.711 4.776 1.00 0.00 O ATOM 1325 CB ILE A 90 3.120 -9.691 3.513 1.00 0.00 C ATOM 1326 CG1 ILE A 90 2.369 -9.075 2.329 1.00 0.00 C ATOM 1327 CG2 ILE A 90 3.931 -10.919 3.100 1.00 0.00 C ATOM 1328 CD1 ILE A 90 3.343 -8.503 1.299 1.00 0.00 C ATOM 0 H ILE A 90 0.642 -11.052 3.647 1.00 0.00 H new ATOM 0 HA ILE A 90 2.793 -10.210 5.526 1.00 0.00 H new ATOM 0 HB ILE A 90 3.828 -8.943 3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.741 -9.832 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.706 -8.286 2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.604 -10.653 2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.514 -11.273 3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.255 -11.707 2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.783 -8.072 0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.953 -7.730 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.988 -9.299 0.927 1.00 0.00 H new ATOM 1339 N GLU A 91 0.090 -9.244 5.612 1.00 0.00 N ATOM 1340 CA GLU A 91 -0.899 -8.260 6.017 1.00 0.00 C ATOM 1341 C GLU A 91 -0.254 -7.191 6.901 1.00 0.00 C ATOM 1342 O GLU A 91 -0.744 -6.066 6.980 1.00 0.00 O ATOM 1343 CB GLU A 91 -2.076 -8.926 6.732 1.00 0.00 C ATOM 1344 CG GLU A 91 -3.178 -7.910 7.039 1.00 0.00 C ATOM 1345 CD GLU A 91 -4.035 -8.372 8.219 1.00 0.00 C ATOM 1346 OE1 GLU A 91 -4.069 -9.600 8.451 1.00 0.00 O ATOM 1347 OE2 GLU A 91 -4.638 -7.486 8.863 1.00 0.00 O ATOM 0 H GLU A 91 -0.162 -10.211 5.817 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.288 -7.776 5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.478 -9.727 6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.731 -9.384 7.659 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.732 -6.942 7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.807 -7.773 6.159 1.00 0.00 H new ATOM 1352 N GLU A 92 0.838 -7.579 7.543 1.00 0.00 N ATOM 1353 CA GLU A 92 1.554 -6.669 8.420 1.00 0.00 C ATOM 1354 C GLU A 92 1.938 -5.396 7.664 1.00 0.00 C ATOM 1355 O GLU A 92 1.700 -4.289 8.145 1.00 0.00 O ATOM 1356 CB GLU A 92 2.791 -7.344 9.019 1.00 0.00 C ATOM 1357 CG GLU A 92 3.732 -7.840 7.919 1.00 0.00 C ATOM 1358 CD GLU A 92 4.698 -8.897 8.459 1.00 0.00 C ATOM 1359 OE1 GLU A 92 5.416 -8.567 9.427 1.00 0.00 O ATOM 1360 OE2 GLU A 92 4.694 -10.011 7.892 1.00 0.00 O ATOM 0 H GLU A 92 1.244 -8.512 7.473 1.00 0.00 H new ATOM 0 HA GLU A 92 0.895 -6.395 9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.318 -6.640 9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.485 -8.182 9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.149 -8.260 7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.296 -7.001 7.512 1.00 0.00 H new ATOM 1365 N VAL A 93 2.525 -5.595 6.493 1.00 0.00 N ATOM 1366 CA VAL A 93 2.943 -4.476 5.666 1.00 0.00 C ATOM 1367 C VAL A 93 1.721 -3.625 5.313 1.00 0.00 C ATOM 1368 O VAL A 93 1.827 -2.406 5.177 1.00 0.00 O ATOM 1369 CB VAL A 93 3.691 -4.988 4.434 1.00 0.00 C ATOM 1370 CG1 VAL A 93 2.779 -5.846 3.554 1.00 0.00 C ATOM 1371 CG2 VAL A 93 4.289 -3.827 3.634 1.00 0.00 C ATOM 0 H VAL A 93 2.721 -6.514 6.097 1.00 0.00 H new ATOM 0 HA VAL A 93 3.638 -3.837 6.210 1.00 0.00 H new ATOM 0 HB VAL A 93 4.512 -5.617 4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.336 -6.197 2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.422 -6.702 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.928 -5.251 3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.815 -4.218 2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.490 -3.161 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.987 -3.274 4.262 1.00 0.00 H new ATOM 1381 N VAL A 94 0.588 -4.300 5.175 1.00 0.00 N ATOM 1382 CA VAL A 94 -0.651 -3.620 4.839 1.00 0.00 C ATOM 1383 C VAL A 94 -0.893 -2.486 5.837 1.00 0.00 C ATOM 1384 O VAL A 94 -1.161 -1.353 5.441 1.00 0.00 O ATOM 1385 CB VAL A 94 -1.802 -4.627 4.787 1.00 0.00 C ATOM 1386 CG1 VAL A 94 -2.795 -4.383 5.925 1.00 0.00 C ATOM 1387 CG2 VAL A 94 -2.504 -4.588 3.429 1.00 0.00 C ATOM 0 H VAL A 94 0.503 -5.310 5.290 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.584 -3.171 3.848 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.381 -5.624 4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.603 -5.112 5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.284 -4.486 6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.206 -3.377 5.839 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.318 -5.313 3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.906 -3.590 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.790 -4.833 2.643 1.00 0.00 H new ATOM 1397 N GLU A 95 -0.790 -2.832 7.112 1.00 0.00 N ATOM 1398 CA GLU A 95 -0.993 -1.857 8.170 1.00 0.00 C ATOM 1399 C GLU A 95 0.166 -0.858 8.203 1.00 0.00 C ATOM 1400 O GLU A 95 -0.032 0.319 8.499 1.00 0.00 O ATOM 1401 CB GLU A 95 -1.161 -2.546 9.525 1.00 0.00 C ATOM 1402 CG GLU A 95 -1.956 -3.845 9.385 1.00 0.00 C ATOM 1403 CD GLU A 95 -2.575 -4.256 10.723 1.00 0.00 C ATOM 1404 OE1 GLU A 95 -1.823 -4.822 11.546 1.00 0.00 O ATOM 1405 OE2 GLU A 95 -3.786 -3.995 10.893 1.00 0.00 O ATOM 0 H GLU A 95 -0.569 -3.774 7.436 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.912 -1.310 7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.181 -2.759 9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.671 -1.876 10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.742 -3.716 8.641 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.302 -4.639 9.024 1.00 0.00 H new ATOM 1410 N LYS A 96 1.350 -1.365 7.892 1.00 0.00 N ATOM 1411 CA LYS A 96 2.541 -0.533 7.882 1.00 0.00 C ATOM 1412 C LYS A 96 2.473 0.430 6.694 1.00 0.00 C ATOM 1413 O LYS A 96 3.024 1.529 6.750 1.00 0.00 O ATOM 1414 CB LYS A 96 3.802 -1.399 7.900 1.00 0.00 C ATOM 1415 CG LYS A 96 3.688 -2.510 8.947 1.00 0.00 C ATOM 1416 CD LYS A 96 4.805 -2.399 9.986 1.00 0.00 C ATOM 1417 CE LYS A 96 4.272 -2.667 11.395 1.00 0.00 C ATOM 1418 NZ LYS A 96 4.434 -1.468 12.247 1.00 0.00 N ATOM 0 H LYS A 96 1.510 -2.342 7.645 1.00 0.00 H new ATOM 0 HA LYS A 96 2.589 0.075 8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.961 -1.837 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.671 -0.778 8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.719 -2.450 9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.737 -3.483 8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.597 -3.111 9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.248 -1.404 9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.219 -2.945 11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.804 -3.509 11.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.067 -1.667 13.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.442 -1.220 12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.907 -0.673 11.832 1.00 0.00 H new ATOM 1428 N VAL A 97 1.795 -0.016 5.649 1.00 0.00 N ATOM 1429 CA VAL A 97 1.648 0.792 4.450 1.00 0.00 C ATOM 1430 C VAL A 97 0.625 1.899 4.709 1.00 0.00 C ATOM 1431 O VAL A 97 0.852 3.055 4.356 1.00 0.00 O ATOM 1432 CB VAL A 97 1.281 -0.097 3.261 1.00 0.00 C ATOM 1433 CG1 VAL A 97 0.456 0.677 2.232 1.00 0.00 C ATOM 1434 CG2 VAL A 97 2.531 -0.701 2.619 1.00 0.00 C ATOM 0 H VAL A 97 1.340 -0.928 5.607 1.00 0.00 H new ATOM 0 HA VAL A 97 2.592 1.275 4.197 1.00 0.00 H new ATOM 0 HB VAL A 97 0.668 -0.917 3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.208 0.022 1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.463 1.035 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.033 1.527 1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.240 -1.328 1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.182 0.099 2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.062 -1.305 3.355 1.00 0.00 H new ATOM 1444 N LYS A 98 -0.482 1.505 5.322 1.00 0.00 N ATOM 1445 CA LYS A 98 -1.542 2.451 5.631 1.00 0.00 C ATOM 1446 C LYS A 98 -0.987 3.557 6.530 1.00 0.00 C ATOM 1447 O LYS A 98 -1.217 4.739 6.279 1.00 0.00 O ATOM 1448 CB LYS A 98 -2.750 1.723 6.224 1.00 0.00 C ATOM 1449 CG LYS A 98 -3.741 1.321 5.131 1.00 0.00 C ATOM 1450 CD LYS A 98 -5.145 1.123 5.707 1.00 0.00 C ATOM 1451 CE LYS A 98 -5.915 2.444 5.739 1.00 0.00 C ATOM 1452 NZ LYS A 98 -7.076 2.345 6.651 1.00 0.00 N ATOM 0 H LYS A 98 -0.668 0.545 5.613 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.902 2.932 4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.416 0.835 6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.246 2.367 6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.766 2.089 4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.407 0.400 4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.689 0.395 5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.074 0.715 6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.256 3.248 6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.254 2.698 4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.956 2.418 6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.052 1.431 7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.037 3.116 7.347 1.00 0.00 H new ATOM 1462 N LYS A 99 -0.268 3.134 7.560 1.00 0.00 N ATOM 1463 CA LYS A 99 0.320 4.075 8.497 1.00 0.00 C ATOM 1464 C LYS A 99 1.416 4.877 7.790 1.00 0.00 C ATOM 1465 O LYS A 99 1.602 6.060 8.067 1.00 0.00 O ATOM 1466 CB LYS A 99 0.805 3.349 9.753 1.00 0.00 C ATOM 1467 CG LYS A 99 1.850 2.288 9.404 1.00 0.00 C ATOM 1468 CD LYS A 99 3.266 2.862 9.496 1.00 0.00 C ATOM 1469 CE LYS A 99 3.960 2.402 10.780 1.00 0.00 C ATOM 1470 NZ LYS A 99 3.521 3.225 11.930 1.00 0.00 N ATOM 0 H LYS A 99 -0.080 2.153 7.766 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.429 4.789 8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.232 4.069 10.451 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.041 2.880 10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.753 1.440 10.082 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.670 1.913 8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.848 2.546 8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.224 3.951 9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.732 1.353 10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.041 2.477 10.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.001 2.900 12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.761 4.222 11.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.492 3.132 12.051 1.00 0.00 H new ATOM 1480 N PHE A 100 2.113 4.198 6.890 1.00 0.00 N ATOM 1481 CA PHE A 100 3.185 4.831 6.140 1.00 0.00 C ATOM 1482 C PHE A 100 2.650 5.979 5.281 1.00 0.00 C ATOM 1483 O PHE A 100 3.173 7.090 5.328 1.00 0.00 O ATOM 1484 CB PHE A 100 3.784 3.761 5.226 1.00 0.00 C ATOM 1485 CG PHE A 100 4.107 4.256 3.815 1.00 0.00 C ATOM 1486 CD1 PHE A 100 4.815 5.405 3.644 1.00 0.00 C ATOM 1487 CD2 PHE A 100 3.685 3.549 2.733 1.00 0.00 C ATOM 1488 CE1 PHE A 100 5.114 5.865 2.335 1.00 0.00 C ATOM 1489 CE2 PHE A 100 3.985 4.010 1.423 1.00 0.00 C ATOM 1490 CZ PHE A 100 4.694 5.159 1.252 1.00 0.00 C ATOM 0 H PHE A 100 1.956 3.216 6.663 1.00 0.00 H new ATOM 0 HA PHE A 100 3.927 5.241 6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 100 4.696 3.377 5.683 1.00 0.00 H new ATOM 0 HB3 PHE A 100 3.087 2.926 5.156 1.00 0.00 H new ATOM 0 HD1 PHE A 100 5.149 5.967 4.504 1.00 0.00 H new ATOM 0 HD2 PHE A 100 3.122 2.637 2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 100 5.676 6.777 2.199 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.650 3.449 0.563 1.00 0.00 H new ATOM 0 HZ PHE A 100 4.923 5.510 0.256 1.00 0.00 H new ATOM 1499 N VAL A 101 1.615 5.668 4.515 1.00 0.00 N ATOM 1500 CA VAL A 101 1.003 6.659 3.647 1.00 0.00 C ATOM 1501 C VAL A 101 0.492 7.828 4.493 1.00 0.00 C ATOM 1502 O VAL A 101 0.803 8.985 4.213 1.00 0.00 O ATOM 1503 CB VAL A 101 -0.095 6.009 2.802 1.00 0.00 C ATOM 1504 CG1 VAL A 101 -0.850 7.057 1.983 1.00 0.00 C ATOM 1505 CG2 VAL A 101 0.484 4.920 1.896 1.00 0.00 C ATOM 0 H VAL A 101 1.185 4.744 4.477 1.00 0.00 H new ATOM 0 HA VAL A 101 1.738 7.060 2.949 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.806 5.539 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.624 6.568 1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.310 7.782 2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.155 7.569 1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.317 4.474 1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.226 5.358 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.956 4.151 2.507 1.00 0.00 H new ATOM 1515 N GLU A 102 -0.282 7.485 5.511 1.00 0.00 N ATOM 1516 CA GLU A 102 -0.841 8.489 6.400 1.00 0.00 C ATOM 1517 C GLU A 102 0.271 9.149 7.219 1.00 0.00 C ATOM 1518 O GLU A 102 0.095 10.252 7.735 1.00 0.00 O ATOM 1519 CB GLU A 102 -1.908 7.884 7.313 1.00 0.00 C ATOM 1520 CG GLU A 102 -1.276 7.271 8.563 1.00 0.00 C ATOM 1521 CD GLU A 102 -2.289 6.418 9.329 1.00 0.00 C ATOM 1522 OE1 GLU A 102 -2.812 5.466 8.709 1.00 0.00 O ATOM 1523 OE2 GLU A 102 -2.520 6.737 10.516 1.00 0.00 O ATOM 0 H GLU A 102 -0.536 6.524 5.741 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.324 9.254 5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.623 8.654 7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.465 7.120 6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.421 6.658 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.900 8.063 9.210 1.00 0.00 H new ATOM 1528 N GLU A 103 1.392 8.447 7.311 1.00 0.00 N ATOM 1529 CA GLU A 103 2.531 8.951 8.058 1.00 0.00 C ATOM 1530 C GLU A 103 3.217 10.079 7.282 1.00 0.00 C ATOM 1531 O GLU A 103 3.659 11.063 7.872 1.00 0.00 O ATOM 1532 CB GLU A 103 3.518 7.826 8.378 1.00 0.00 C ATOM 1533 CG GLU A 103 3.206 7.194 9.734 1.00 0.00 C ATOM 1534 CD GLU A 103 3.953 7.912 10.859 1.00 0.00 C ATOM 1535 OE1 GLU A 103 5.067 8.406 10.577 1.00 0.00 O ATOM 1536 OE2 GLU A 103 3.395 7.951 11.978 1.00 0.00 O ATOM 0 H GLU A 103 1.535 7.533 6.880 1.00 0.00 H new ATOM 0 HA GLU A 103 2.171 9.354 9.005 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.473 7.065 7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.535 8.219 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.133 7.236 9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.486 6.141 9.721 1.00 0.00 H new ATOM 1541 N ASN A 104 3.285 9.896 5.972 1.00 0.00 N ATOM 1542 CA ASN A 104 3.908 10.885 5.109 1.00 0.00 C ATOM 1543 C ASN A 104 2.924 12.031 4.861 1.00 0.00 C ATOM 1544 O ASN A 104 3.335 13.172 4.654 1.00 0.00 O ATOM 1545 CB ASN A 104 4.281 10.279 3.755 1.00 0.00 C ATOM 1546 CG ASN A 104 5.672 10.736 3.314 1.00 0.00 C ATOM 1547 OD1 ASN A 104 5.841 11.432 2.325 1.00 0.00 O ATOM 1548 ND2 ASN A 104 6.657 10.310 4.099 1.00 0.00 N ATOM 0 H ASN A 104 2.919 9.077 5.487 1.00 0.00 H new ATOM 0 HA ASN A 104 4.811 11.243 5.603 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.255 9.191 3.820 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.544 10.571 3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.622 10.563 3.889 1.00 0.00 H new ATOM 0 HD22 ASN A 104 6.447 9.730 4.912 1.00 0.00 H new ATOM 1554 N ASN A 105 1.646 11.687 4.889 1.00 0.00 N ATOM 1555 CA ASN A 105 0.601 12.673 4.668 1.00 0.00 C ATOM 1556 C ASN A 105 0.987 13.982 5.357 1.00 0.00 C ATOM 1557 O ASN A 105 0.705 15.065 4.843 1.00 0.00 O ATOM 1558 CB ASN A 105 -0.732 12.204 5.258 1.00 0.00 C ATOM 1559 CG ASN A 105 -1.626 11.594 4.177 1.00 0.00 C ATOM 1560 OD1 ASN A 105 -2.611 12.176 3.749 1.00 0.00 O ATOM 1561 ND2 ASN A 105 -1.232 10.396 3.760 1.00 0.00 N ATOM 0 H ASN A 105 1.309 10.740 5.061 1.00 0.00 H new ATOM 0 HA ASN A 105 0.491 12.813 3.593 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -0.548 11.468 6.041 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.243 13.046 5.725 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -1.763 9.907 3.040 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -0.398 9.965 4.160 1.00 0.00 H new