USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 961 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 122 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 126 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.2!) USER MOD Set 2.1: A 100 TYR OH : rot 15:sc= -1.09 USER MOD Set 2.2: A 104 MET CE :methyl 173:sc= -3.29 (180deg=-3.74!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -4.25! C(o=-4.3!,f=-4.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 31 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-2.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0504 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0833 USER MOD Single : A 46 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.27) USER MOD Single : A 55 GLN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 58 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.9!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -83:sc= -0.164 USER MOD Single : A 69 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.11) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -8:sc= 1.09 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 23:sc= 0.0055 USER MOD Single : A 87 MET CE :methyl -157:sc= -1.85 (180deg=-2.67!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot -120:sc= -1.15 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc=-0.00555 K(o=-0.0055,f=-0.6) USER MOD Single : A 99 GLN : amide:sc= -0.718 K(o=-0.72,f=-4!) USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -139:sc= -0.882 (180deg=-4.37!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -68:sc= 0.157 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 16.005 -2.927 9.570 1.00 0.00 N ATOM 67 CA ILE A 8 14.803 -2.194 9.192 1.00 0.00 C ATOM 68 C ILE A 8 14.051 -2.910 8.075 1.00 0.00 C ATOM 69 O ILE A 8 14.434 -2.863 6.906 1.00 0.00 O ATOM 70 CB ILE A 8 15.137 -0.762 8.735 1.00 0.00 C ATOM 71 CG1 ILE A 8 15.703 0.050 9.902 1.00 0.00 C ATOM 72 CG2 ILE A 8 13.899 -0.086 8.164 1.00 0.00 C ATOM 73 CD1 ILE A 8 14.684 0.352 10.979 1.00 0.00 C ATOM 0 HA ILE A 8 14.171 -2.145 10.079 1.00 0.00 H new ATOM 0 HB ILE A 8 15.893 -0.813 7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 8 16.536 -0.497 10.344 1.00 0.00 H new ATOM 0 HG13 ILE A 8 16.105 0.988 9.520 1.00 0.00 H new ATOM 0 HG21 ILE A 8 14.151 0.925 7.845 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.535 -0.656 7.309 1.00 0.00 H new ATOM 0 HG23 ILE A 8 13.123 -0.043 8.928 1.00 0.00 H new ATOM 0 HD11 ILE A 8 15.155 0.930 11.774 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.862 0.926 10.551 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.300 -0.582 11.389 1.00 0.00 H new ATOM 85 N PRO A 9 12.952 -3.588 8.440 1.00 0.00 N ATOM 86 CA PRO A 9 12.122 -4.324 7.483 1.00 0.00 C ATOM 87 C PRO A 9 11.356 -3.396 6.546 1.00 0.00 C ATOM 88 O PRO A 9 10.427 -2.707 6.963 1.00 0.00 O ATOM 89 CB PRO A 9 11.151 -5.099 8.379 1.00 0.00 C ATOM 90 CG PRO A 9 11.077 -4.302 9.635 1.00 0.00 C ATOM 91 CD PRO A 9 12.437 -3.686 9.816 1.00 0.00 C ATOM 0 HA PRO A 9 12.720 -4.959 6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.171 -5.194 7.912 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.511 -6.110 8.572 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.307 -3.534 9.565 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.819 -4.935 10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.375 -2.708 10.293 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.079 -4.306 10.442 1.00 0.00 H new ATOM 99 N GLU A 10 11.754 -3.385 5.277 1.00 0.00 N ATOM 100 CA GLU A 10 11.104 -2.541 4.281 1.00 0.00 C ATOM 101 C GLU A 10 10.663 -3.364 3.075 1.00 0.00 C ATOM 102 O GLU A 10 11.345 -4.306 2.668 1.00 0.00 O ATOM 103 CB GLU A 10 12.049 -1.424 3.832 1.00 0.00 C ATOM 104 CG GLU A 10 12.145 -0.274 4.821 1.00 0.00 C ATOM 105 CD GLU A 10 12.958 0.888 4.286 1.00 0.00 C ATOM 106 OE1 GLU A 10 12.878 1.157 3.069 1.00 0.00 O ATOM 107 OE2 GLU A 10 13.675 1.529 5.083 1.00 0.00 O ATOM 0 H GLU A 10 12.522 -3.950 4.915 1.00 0.00 H new ATOM 0 HA GLU A 10 10.220 -2.097 4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.044 -1.842 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.711 -1.038 2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.142 0.073 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.595 -0.632 5.747 1.00 0.00 H new ATOM 114 N LEU A 11 9.518 -3.004 2.507 1.00 0.00 N ATOM 115 CA LEU A 11 8.983 -3.709 1.347 1.00 0.00 C ATOM 116 C LEU A 11 9.251 -2.927 0.064 1.00 0.00 C ATOM 117 O LEU A 11 9.073 -1.710 0.017 1.00 0.00 O ATOM 118 CB LEU A 11 7.480 -3.939 1.513 1.00 0.00 C ATOM 119 CG LEU A 11 7.072 -5.261 2.165 1.00 0.00 C ATOM 120 CD1 LEU A 11 5.767 -5.098 2.928 1.00 0.00 C ATOM 121 CD2 LEU A 11 6.946 -6.356 1.116 1.00 0.00 C ATOM 0 H LEU A 11 8.941 -2.227 2.831 1.00 0.00 H new ATOM 0 HA LEU A 11 9.486 -4.674 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.071 -3.122 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.013 -3.882 0.530 1.00 0.00 H new ATOM 0 HG LEU A 11 7.849 -5.551 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.492 -6.048 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.892 -4.344 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.981 -4.785 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.655 -7.290 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.189 -6.074 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.904 -6.490 0.613 1.00 0.00 H new ATOM 133 N LYS A 12 9.677 -3.636 -0.976 1.00 0.00 N ATOM 134 CA LYS A 12 9.966 -3.011 -2.261 1.00 0.00 C ATOM 135 C LYS A 12 9.126 -3.634 -3.371 1.00 0.00 C ATOM 136 O LYS A 12 9.366 -4.770 -3.780 1.00 0.00 O ATOM 137 CB LYS A 12 11.453 -3.147 -2.595 1.00 0.00 C ATOM 138 CG LYS A 12 12.372 -2.614 -1.509 1.00 0.00 C ATOM 139 CD LYS A 12 12.688 -1.142 -1.720 1.00 0.00 C ATOM 140 CE LYS A 12 14.063 -0.784 -1.176 1.00 0.00 C ATOM 141 NZ LYS A 12 14.005 -0.380 0.256 1.00 0.00 N ATOM 0 H LYS A 12 9.830 -4.644 -0.954 1.00 0.00 H new ATOM 0 HA LYS A 12 9.712 -1.954 -2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.683 -4.198 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.658 -2.617 -3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.903 -2.751 -0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.298 -3.189 -1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.644 -0.908 -2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.931 -0.532 -1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.731 -1.639 -1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.487 0.029 -1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.962 -0.144 0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.388 0.451 0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.625 -1.165 0.823 1.00 0.00 H new ATOM 155 N ASP A 13 8.141 -2.885 -3.853 1.00 0.00 N ATOM 156 CA ASP A 13 7.267 -3.364 -4.918 1.00 0.00 C ATOM 157 C ASP A 13 6.348 -2.249 -5.409 1.00 0.00 C ATOM 158 O ASP A 13 5.859 -1.440 -4.620 1.00 0.00 O ATOM 159 CB ASP A 13 6.434 -4.549 -4.428 1.00 0.00 C ATOM 160 CG ASP A 13 7.172 -5.868 -4.558 1.00 0.00 C ATOM 161 OD1 ASP A 13 7.566 -6.217 -5.691 1.00 0.00 O ATOM 162 OD2 ASP A 13 7.354 -6.550 -3.529 1.00 0.00 O ATOM 0 H ASP A 13 7.927 -1.944 -3.523 1.00 0.00 H new ATOM 0 HA ASP A 13 7.892 -3.688 -5.750 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.160 -4.390 -3.385 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.506 -4.597 -4.998 1.00 0.00 H new ATOM 167 N HIS A 14 6.118 -2.213 -6.718 1.00 0.00 N ATOM 168 CA HIS A 14 5.258 -1.197 -7.315 1.00 0.00 C ATOM 169 C HIS A 14 3.864 -1.755 -7.584 1.00 0.00 C ATOM 170 O HIS A 14 3.689 -2.636 -8.427 1.00 0.00 O ATOM 171 CB HIS A 14 5.873 -0.678 -8.615 1.00 0.00 C ATOM 172 CG HIS A 14 4.886 0.000 -9.515 1.00 0.00 C ATOM 173 ND1 HIS A 14 4.342 -0.606 -10.628 1.00 0.00 N ATOM 174 CD2 HIS A 14 4.344 1.239 -9.461 1.00 0.00 C ATOM 175 CE1 HIS A 14 3.510 0.231 -11.220 1.00 0.00 C ATOM 176 NE2 HIS A 14 3.492 1.358 -10.531 1.00 0.00 N ATOM 0 H HIS A 14 6.515 -2.875 -7.385 1.00 0.00 H new ATOM 0 HA HIS A 14 5.169 -0.371 -6.609 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.674 0.022 -8.375 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.328 -1.511 -9.150 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.544 1.994 -8.715 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.941 0.029 -12.115 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.936 2.182 -10.757 1.00 0.00 H new ATOM 185 N LEU A 15 2.875 -1.238 -6.863 1.00 0.00 N ATOM 186 CA LEU A 15 1.496 -1.685 -7.023 1.00 0.00 C ATOM 187 C LEU A 15 0.790 -0.891 -8.118 1.00 0.00 C ATOM 188 O LEU A 15 1.405 -0.070 -8.798 1.00 0.00 O ATOM 189 CB LEU A 15 0.736 -1.543 -5.703 1.00 0.00 C ATOM 190 CG LEU A 15 1.374 -2.215 -4.486 1.00 0.00 C ATOM 191 CD1 LEU A 15 0.963 -1.502 -3.207 1.00 0.00 C ATOM 192 CD2 LEU A 15 0.989 -3.686 -4.427 1.00 0.00 C ATOM 0 H LEU A 15 3.003 -0.509 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 15 1.512 -2.735 -7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.618 -0.481 -5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.265 -1.954 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 15 2.458 -2.148 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.426 -1.994 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.289 -0.463 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.121 -1.538 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.452 -4.148 -3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.095 -3.776 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.334 -4.189 -5.330 1.00 0.00 H new ATOM 204 N ARG A 16 -0.505 -1.140 -8.280 1.00 0.00 N ATOM 205 CA ARG A 16 -1.295 -0.448 -9.291 1.00 0.00 C ATOM 206 C ARG A 16 -1.741 0.922 -8.788 1.00 0.00 C ATOM 207 O ARG A 16 -2.505 1.023 -7.828 1.00 0.00 O ATOM 208 CB ARG A 16 -2.517 -1.285 -9.676 1.00 0.00 C ATOM 209 CG ARG A 16 -2.194 -2.442 -10.606 1.00 0.00 C ATOM 210 CD ARG A 16 -1.289 -3.462 -9.934 1.00 0.00 C ATOM 211 NE ARG A 16 0.125 -3.144 -10.115 1.00 0.00 N ATOM 212 CZ ARG A 16 0.755 -3.236 -11.281 1.00 0.00 C ATOM 213 NH1 ARG A 16 0.100 -3.635 -12.362 1.00 0.00 N ATOM 214 NH2 ARG A 16 2.043 -2.929 -11.366 1.00 0.00 N ATOM 0 H ARG A 16 -1.029 -1.816 -7.724 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.669 -0.307 -10.172 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.979 -1.677 -8.770 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.253 -0.639 -10.155 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.119 -2.926 -10.921 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.711 -2.062 -11.506 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.518 -3.503 -8.869 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.493 -4.452 -10.342 1.00 0.00 H new ATOM 0 HE ARG A 16 0.658 -2.834 -9.302 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.890 -3.872 -12.300 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.586 -3.705 -13.256 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.550 -2.622 -10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.526 -3.000 -12.262 1.00 0.00 H new ATOM 228 N ILE A 17 -1.259 1.973 -9.443 1.00 0.00 N ATOM 229 CA ILE A 17 -1.609 3.335 -9.063 1.00 0.00 C ATOM 230 C ILE A 17 -2.346 4.049 -10.191 1.00 0.00 C ATOM 231 O ILE A 17 -1.814 4.211 -11.289 1.00 0.00 O ATOM 232 CB ILE A 17 -0.359 4.152 -8.684 1.00 0.00 C ATOM 233 CG1 ILE A 17 0.188 3.690 -7.332 1.00 0.00 C ATOM 234 CG2 ILE A 17 -0.688 5.637 -8.649 1.00 0.00 C ATOM 235 CD1 ILE A 17 1.461 4.397 -6.921 1.00 0.00 C ATOM 0 H ILE A 17 -0.625 1.907 -10.239 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.263 3.262 -8.194 1.00 0.00 H new ATOM 0 HB ILE A 17 0.408 3.987 -9.441 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.571 3.853 -6.567 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.375 2.617 -7.372 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.205 6.201 -8.380 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.036 5.956 -9.631 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.469 5.819 -7.911 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.791 4.019 -5.953 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.236 4.213 -7.665 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.275 5.468 -6.848 1.00 0.00 H new ATOM 247 N PHE A 18 -3.573 4.475 -9.912 1.00 0.00 N ATOM 248 CA PHE A 18 -4.384 5.173 -10.903 1.00 0.00 C ATOM 249 C PHE A 18 -5.036 6.413 -10.297 1.00 0.00 C ATOM 250 O PHE A 18 -5.623 6.353 -9.216 1.00 0.00 O ATOM 251 CB PHE A 18 -5.460 4.239 -11.462 1.00 0.00 C ATOM 252 CG PHE A 18 -6.660 4.963 -12.001 1.00 0.00 C ATOM 253 CD1 PHE A 18 -6.601 5.618 -13.220 1.00 0.00 C ATOM 254 CD2 PHE A 18 -7.848 4.988 -11.288 1.00 0.00 C ATOM 255 CE1 PHE A 18 -7.704 6.284 -13.720 1.00 0.00 C ATOM 256 CE2 PHE A 18 -8.955 5.652 -11.783 1.00 0.00 C ATOM 257 CZ PHE A 18 -8.883 6.302 -12.999 1.00 0.00 C ATOM 0 H PHE A 18 -4.028 4.349 -9.008 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.729 5.489 -11.715 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.026 3.631 -12.256 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.781 3.555 -10.676 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.682 5.608 -13.787 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.910 4.483 -10.335 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.645 6.790 -14.673 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.876 5.662 -11.219 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.746 6.823 -13.386 1.00 0.00 H new ATOM 267 N ARG A 19 -4.928 7.535 -11.001 1.00 0.00 N ATOM 268 CA ARG A 19 -5.505 8.789 -10.532 1.00 0.00 C ATOM 269 C ARG A 19 -6.362 9.433 -11.618 1.00 0.00 C ATOM 270 O ARG A 19 -5.859 9.935 -12.624 1.00 0.00 O ATOM 271 CB ARG A 19 -4.399 9.754 -10.102 1.00 0.00 C ATOM 272 CG ARG A 19 -3.931 9.545 -8.671 1.00 0.00 C ATOM 273 CD ARG A 19 -2.873 8.456 -8.584 1.00 0.00 C ATOM 274 NE ARG A 19 -1.560 8.932 -9.012 1.00 0.00 N ATOM 275 CZ ARG A 19 -0.828 9.793 -8.315 1.00 0.00 C ATOM 276 NH1 ARG A 19 -1.277 10.270 -7.162 1.00 0.00 N ATOM 277 NH2 ARG A 19 0.357 10.179 -8.770 1.00 0.00 N ATOM 0 H ARG A 19 -4.447 7.601 -11.898 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.141 8.569 -9.674 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.548 9.641 -10.774 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.758 10.777 -10.212 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.527 10.478 -8.279 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.782 9.278 -8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.810 8.093 -7.558 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.172 7.610 -9.204 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.185 8.584 -9.894 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.187 9.976 -6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.712 10.931 -6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.707 9.814 -9.656 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.918 10.840 -8.234 1.00 0.00 H new ATOM 291 N PRO A 20 -7.687 9.417 -11.413 1.00 0.00 N ATOM 292 CA PRO A 20 -8.642 9.995 -12.364 1.00 0.00 C ATOM 293 C PRO A 20 -8.567 11.518 -12.408 1.00 0.00 C ATOM 294 O PRO A 20 -9.249 12.159 -13.207 1.00 0.00 O ATOM 295 CB PRO A 20 -10.000 9.542 -11.822 1.00 0.00 C ATOM 296 CG PRO A 20 -9.773 9.322 -10.366 1.00 0.00 C ATOM 297 CD PRO A 20 -8.356 8.836 -10.237 1.00 0.00 C ATOM 0 HA PRO A 20 -8.446 9.671 -13.386 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.767 10.298 -11.993 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.337 8.629 -12.312 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.922 10.244 -9.804 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.475 8.589 -9.968 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.899 9.174 -9.307 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.303 7.747 -10.242 1.00 0.00 H new ATOM 432 N TYR A 28 -2.700 2.761 -16.028 1.00 0.00 N ATOM 433 CA TYR A 28 -1.634 2.548 -15.056 1.00 0.00 C ATOM 434 C TYR A 28 -0.270 2.859 -15.667 1.00 0.00 C ATOM 435 O TYR A 28 -0.044 2.632 -16.855 1.00 0.00 O ATOM 436 CB TYR A 28 -1.660 1.106 -14.546 1.00 0.00 C ATOM 437 CG TYR A 28 -2.889 0.774 -13.731 1.00 0.00 C ATOM 438 CD1 TYR A 28 -3.068 1.307 -12.460 1.00 0.00 C ATOM 439 CD2 TYR A 28 -3.870 -0.073 -14.230 1.00 0.00 C ATOM 440 CE1 TYR A 28 -4.189 1.006 -11.711 1.00 0.00 C ATOM 441 CE2 TYR A 28 -4.995 -0.378 -13.489 1.00 0.00 C ATOM 442 CZ TYR A 28 -5.150 0.164 -12.230 1.00 0.00 C ATOM 443 OH TYR A 28 -6.269 -0.139 -11.488 1.00 0.00 O ATOM 0 HA TYR A 28 -1.800 3.225 -14.218 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.605 0.427 -15.397 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.773 0.928 -13.939 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.318 1.968 -12.051 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.751 -0.501 -15.215 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.312 1.428 -10.724 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.749 -1.037 -13.893 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.846 -0.744 -11.999 1.00 0.00 H new ATOM 453 N ARG A 29 0.634 3.380 -14.844 1.00 0.00 N ATOM 454 CA ARG A 29 1.975 3.723 -15.302 1.00 0.00 C ATOM 455 C ARG A 29 3.034 3.030 -14.450 1.00 0.00 C ATOM 456 O ARG A 29 2.738 2.518 -13.371 1.00 0.00 O ATOM 457 CB ARG A 29 2.180 5.239 -15.256 1.00 0.00 C ATOM 458 CG ARG A 29 3.543 5.684 -15.761 1.00 0.00 C ATOM 459 CD ARG A 29 3.545 7.160 -16.130 1.00 0.00 C ATOM 460 NE ARG A 29 4.858 7.608 -16.585 1.00 0.00 N ATOM 461 CZ ARG A 29 5.172 8.884 -16.778 1.00 0.00 C ATOM 462 NH1 ARG A 29 4.273 9.833 -16.558 1.00 0.00 N ATOM 463 NH2 ARG A 29 6.389 9.214 -17.193 1.00 0.00 N ATOM 0 H ARG A 29 0.462 3.574 -13.857 1.00 0.00 H new ATOM 0 HA ARG A 29 2.080 3.380 -16.331 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.406 5.720 -15.853 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.052 5.584 -14.230 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.295 5.498 -14.994 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.822 5.090 -16.631 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.809 7.339 -16.914 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.240 7.750 -15.266 1.00 0.00 H new ATOM 0 HE ARG A 29 5.573 6.903 -16.764 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.336 9.584 -16.239 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.518 10.812 -16.707 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.084 8.487 -17.364 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.629 10.194 -17.341 1.00 0.00 H new ATOM 477 N GLN A 30 4.268 3.018 -14.943 1.00 0.00 N ATOM 478 CA GLN A 30 5.370 2.387 -14.227 1.00 0.00 C ATOM 479 C GLN A 30 5.954 3.332 -13.182 1.00 0.00 C ATOM 480 O GLN A 30 6.539 4.361 -13.519 1.00 0.00 O ATOM 481 CB GLN A 30 6.462 1.955 -15.208 1.00 0.00 C ATOM 482 CG GLN A 30 7.454 0.965 -14.617 1.00 0.00 C ATOM 483 CD GLN A 30 8.411 0.410 -15.653 1.00 0.00 C ATOM 484 OE1 GLN A 30 8.670 1.041 -16.678 1.00 0.00 O ATOM 485 NE2 GLN A 30 8.945 -0.777 -15.390 1.00 0.00 N ATOM 0 H GLN A 30 4.530 3.438 -15.835 1.00 0.00 H new ATOM 0 HA GLN A 30 4.981 1.507 -13.716 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.995 1.508 -16.085 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.002 2.838 -15.549 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.024 1.455 -13.827 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.909 0.143 -14.154 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.703 -1.266 -14.528 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.598 -1.200 -16.050 1.00 0.00 H new ATOM 494 N HIS A 31 5.790 2.976 -11.912 1.00 0.00 N ATOM 495 CA HIS A 31 6.301 3.793 -10.817 1.00 0.00 C ATOM 496 C HIS A 31 6.990 2.926 -9.768 1.00 0.00 C ATOM 497 O HIS A 31 6.883 1.700 -9.795 1.00 0.00 O ATOM 498 CB HIS A 31 5.164 4.587 -10.172 1.00 0.00 C ATOM 499 CG HIS A 31 4.549 5.601 -11.086 1.00 0.00 C ATOM 500 ND1 HIS A 31 5.073 6.863 -11.272 1.00 0.00 N ATOM 501 CD2 HIS A 31 3.447 5.534 -11.870 1.00 0.00 C ATOM 502 CE1 HIS A 31 4.320 7.529 -12.129 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.327 6.744 -12.508 1.00 0.00 N ATOM 0 H HIS A 31 5.307 2.128 -11.616 1.00 0.00 H new ATOM 0 HA HIS A 31 7.034 4.488 -11.226 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.391 3.894 -9.839 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.543 5.093 -9.284 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.786 4.687 -11.974 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.487 8.542 -12.463 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.591 6.996 -13.167 1.00 0.00 H new ATOM 512 N TRP A 32 7.697 3.570 -8.847 1.00 0.00 N ATOM 513 CA TRP A 32 8.404 2.857 -7.789 1.00 0.00 C ATOM 514 C TRP A 32 7.808 3.177 -6.423 1.00 0.00 C ATOM 515 O TRP A 32 7.750 4.338 -6.017 1.00 0.00 O ATOM 516 CB TRP A 32 9.890 3.219 -7.808 1.00 0.00 C ATOM 517 CG TRP A 32 10.721 2.367 -6.896 1.00 0.00 C ATOM 518 CD1 TRP A 32 11.584 2.800 -5.931 1.00 0.00 C ATOM 519 CD2 TRP A 32 10.768 0.936 -6.867 1.00 0.00 C ATOM 520 NE1 TRP A 32 12.164 1.725 -5.302 1.00 0.00 N ATOM 521 CE2 TRP A 32 11.680 0.570 -5.858 1.00 0.00 C ATOM 522 CE3 TRP A 32 10.127 -0.071 -7.593 1.00 0.00 C ATOM 523 CZ2 TRP A 32 11.966 -0.760 -5.560 1.00 0.00 C ATOM 524 CZ3 TRP A 32 10.412 -1.390 -7.297 1.00 0.00 C ATOM 525 CH2 TRP A 32 11.324 -1.725 -6.287 1.00 0.00 C ATOM 0 H TRP A 32 7.796 4.585 -8.811 1.00 0.00 H new ATOM 0 HA TRP A 32 8.294 1.788 -7.970 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.267 3.123 -8.826 1.00 0.00 H new ATOM 0 HB3 TRP A 32 10.006 4.264 -7.522 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.782 3.835 -5.696 1.00 0.00 H new ATOM 0 HE1 TRP A 32 12.845 1.778 -4.544 1.00 0.00 H new ATOM 0 HE3 TRP A 32 9.421 0.177 -8.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 12.669 -1.020 -4.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 9.924 -2.176 -7.853 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.524 -2.766 -6.078 1.00 0.00 H new ATOM 536 N VAL A 33 7.365 2.141 -5.718 1.00 0.00 N ATOM 537 CA VAL A 33 6.774 2.313 -4.396 1.00 0.00 C ATOM 538 C VAL A 33 7.590 1.589 -3.331 1.00 0.00 C ATOM 539 O VAL A 33 8.114 0.500 -3.568 1.00 0.00 O ATOM 540 CB VAL A 33 5.325 1.794 -4.358 1.00 0.00 C ATOM 541 CG1 VAL A 33 4.642 2.210 -3.064 1.00 0.00 C ATOM 542 CG2 VAL A 33 4.547 2.295 -5.565 1.00 0.00 C ATOM 0 H VAL A 33 7.404 1.174 -6.040 1.00 0.00 H new ATOM 0 HA VAL A 33 6.775 3.382 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 33 5.347 0.705 -4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.619 1.834 -3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.187 1.797 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.630 3.298 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.525 1.918 -5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.532 3.385 -5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.025 1.941 -6.478 1.00 0.00 H new ATOM 552 N VAL A 34 7.694 2.201 -2.155 1.00 0.00 N ATOM 553 CA VAL A 34 8.445 1.614 -1.052 1.00 0.00 C ATOM 554 C VAL A 34 7.722 1.819 0.275 1.00 0.00 C ATOM 555 O VAL A 34 7.431 2.949 0.668 1.00 0.00 O ATOM 556 CB VAL A 34 9.859 2.216 -0.952 1.00 0.00 C ATOM 557 CG1 VAL A 34 10.547 1.756 0.324 1.00 0.00 C ATOM 558 CG2 VAL A 34 10.683 1.846 -2.176 1.00 0.00 C ATOM 0 H VAL A 34 7.268 3.103 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 34 8.527 0.547 -1.257 1.00 0.00 H new ATOM 0 HB VAL A 34 9.771 3.302 -0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.545 2.192 0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.965 2.077 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.625 0.669 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.679 2.280 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.764 0.761 -2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.197 2.232 -3.072 1.00 0.00 H new ATOM 568 N PHE A 35 7.436 0.718 0.962 1.00 0.00 N ATOM 569 CA PHE A 35 6.746 0.776 2.246 1.00 0.00 C ATOM 570 C PHE A 35 7.744 0.761 3.400 1.00 0.00 C ATOM 571 O PHE A 35 8.486 -0.205 3.582 1.00 0.00 O ATOM 572 CB PHE A 35 5.775 -0.398 2.381 1.00 0.00 C ATOM 573 CG PHE A 35 5.214 -0.557 3.765 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.521 0.480 4.369 1.00 0.00 C ATOM 575 CD2 PHE A 35 5.381 -1.742 4.463 1.00 0.00 C ATOM 576 CE1 PHE A 35 4.003 0.338 5.643 1.00 0.00 C ATOM 577 CE2 PHE A 35 4.865 -1.890 5.737 1.00 0.00 C ATOM 578 CZ PHE A 35 4.177 -0.849 6.328 1.00 0.00 C ATOM 0 H PHE A 35 7.671 -0.225 0.652 1.00 0.00 H new ATOM 0 HA PHE A 35 6.184 1.709 2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.953 -0.262 1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.288 -1.317 2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.384 1.410 3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.920 -2.559 4.007 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.463 1.153 6.102 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.000 -2.820 6.270 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.776 -0.962 7.324 1.00 0.00 H new ATOM 588 N LYS A 36 7.756 1.838 4.178 1.00 0.00 N ATOM 589 CA LYS A 36 8.661 1.950 5.316 1.00 0.00 C ATOM 590 C LYS A 36 7.933 1.651 6.622 1.00 0.00 C ATOM 591 O LYS A 36 6.710 1.769 6.702 1.00 0.00 O ATOM 592 CB LYS A 36 9.273 3.352 5.370 1.00 0.00 C ATOM 593 CG LYS A 36 10.247 3.546 6.520 1.00 0.00 C ATOM 594 CD LYS A 36 11.496 2.699 6.341 1.00 0.00 C ATOM 595 CE LYS A 36 12.675 3.277 7.110 1.00 0.00 C ATOM 596 NZ LYS A 36 13.297 4.423 6.392 1.00 0.00 N ATOM 0 H LYS A 36 7.149 2.646 4.041 1.00 0.00 H new ATOM 0 HA LYS A 36 9.457 1.217 5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.789 3.551 4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.472 4.086 5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.526 4.597 6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.760 3.284 7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.300 1.683 6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.746 2.636 5.282 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.341 3.604 8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.422 2.499 7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.096 4.789 6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.639 4.106 5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.591 5.176 6.263 1.00 0.00 H new ATOM 610 N GLU A 37 8.692 1.266 7.643 1.00 0.00 N ATOM 611 CA GLU A 37 8.116 0.951 8.946 1.00 0.00 C ATOM 612 C GLU A 37 6.895 1.822 9.226 1.00 0.00 C ATOM 613 O GLU A 37 5.762 1.338 9.239 1.00 0.00 O ATOM 614 CB GLU A 37 9.159 1.145 10.049 1.00 0.00 C ATOM 615 CG GLU A 37 10.480 0.451 9.767 1.00 0.00 C ATOM 616 CD GLU A 37 11.389 0.410 10.980 1.00 0.00 C ATOM 617 OE1 GLU A 37 11.812 1.491 11.440 1.00 0.00 O ATOM 618 OE2 GLU A 37 11.677 -0.702 11.469 1.00 0.00 O ATOM 0 H GLU A 37 9.706 1.165 7.594 1.00 0.00 H new ATOM 0 HA GLU A 37 7.801 -0.092 8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.340 2.212 10.183 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.755 0.770 10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.286 -0.567 9.429 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.990 0.966 8.953 1.00 0.00 H new ATOM 625 N THR A 38 7.133 3.110 9.451 1.00 0.00 N ATOM 626 CA THR A 38 6.055 4.049 9.733 1.00 0.00 C ATOM 627 C THR A 38 6.004 5.158 8.688 1.00 0.00 C ATOM 628 O THR A 38 5.445 6.229 8.929 1.00 0.00 O ATOM 629 CB THR A 38 6.211 4.682 11.129 1.00 0.00 C ATOM 630 OG1 THR A 38 7.599 4.830 11.446 1.00 0.00 O ATOM 631 CG2 THR A 38 5.531 3.828 12.189 1.00 0.00 C ATOM 0 H THR A 38 8.064 3.527 9.443 1.00 0.00 H new ATOM 0 HA THR A 38 5.125 3.481 9.702 1.00 0.00 H new ATOM 0 HB THR A 38 5.735 5.663 11.115 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.690 5.235 12.334 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.654 4.295 13.166 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.469 3.741 11.960 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.982 2.836 12.201 1.00 0.00 H new ATOM 639 N THR A 39 6.589 4.895 7.524 1.00 0.00 N ATOM 640 CA THR A 39 6.611 5.871 6.441 1.00 0.00 C ATOM 641 C THR A 39 6.340 5.206 5.096 1.00 0.00 C ATOM 642 O THR A 39 6.337 3.979 4.988 1.00 0.00 O ATOM 643 CB THR A 39 7.963 6.606 6.375 1.00 0.00 C ATOM 644 OG1 THR A 39 8.541 6.687 7.682 1.00 0.00 O ATOM 645 CG2 THR A 39 7.790 8.005 5.803 1.00 0.00 C ATOM 0 H THR A 39 7.054 4.014 7.307 1.00 0.00 H new ATOM 0 HA THR A 39 5.823 6.594 6.651 1.00 0.00 H new ATOM 0 HB THR A 39 8.627 6.042 5.720 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.401 7.154 7.631 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.758 8.505 5.766 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.377 7.938 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.111 8.576 6.436 1.00 0.00 H new ATOM 653 N LEU A 40 6.113 6.023 4.074 1.00 0.00 N ATOM 654 CA LEU A 40 5.841 5.514 2.734 1.00 0.00 C ATOM 655 C LEU A 40 6.080 6.592 1.682 1.00 0.00 C ATOM 656 O LEU A 40 5.612 7.723 1.820 1.00 0.00 O ATOM 657 CB LEU A 40 4.401 5.006 2.642 1.00 0.00 C ATOM 658 CG LEU A 40 4.148 3.884 1.634 1.00 0.00 C ATOM 659 CD1 LEU A 40 2.920 3.079 2.030 1.00 0.00 C ATOM 660 CD2 LEU A 40 3.986 4.452 0.232 1.00 0.00 C ATOM 0 H LEU A 40 6.112 7.040 4.147 1.00 0.00 H new ATOM 0 HA LEU A 40 6.525 4.687 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.097 4.656 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.756 5.847 2.389 1.00 0.00 H new ATOM 0 HG LEU A 40 5.011 3.218 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.755 2.285 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.075 2.641 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.049 3.734 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.807 3.639 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.141 5.141 0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.894 4.984 -0.052 1.00 0.00 H new ATOM 672 N SER A 41 6.810 6.235 0.631 1.00 0.00 N ATOM 673 CA SER A 41 7.113 7.173 -0.444 1.00 0.00 C ATOM 674 C SER A 41 7.243 6.446 -1.779 1.00 0.00 C ATOM 675 O SER A 41 7.511 5.245 -1.821 1.00 0.00 O ATOM 676 CB SER A 41 8.404 7.934 -0.137 1.00 0.00 C ATOM 677 OG SER A 41 8.367 8.499 1.162 1.00 0.00 O ATOM 0 H SER A 41 7.203 5.303 0.500 1.00 0.00 H new ATOM 0 HA SER A 41 6.289 7.883 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.256 7.259 -0.219 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.550 8.722 -0.876 1.00 0.00 H new ATOM 0 HG SER A 41 9.204 8.979 1.334 1.00 0.00 H new ATOM 683 N TYR A 42 7.051 7.183 -2.868 1.00 0.00 N ATOM 684 CA TYR A 42 7.143 6.609 -4.205 1.00 0.00 C ATOM 685 C TYR A 42 7.876 7.553 -5.153 1.00 0.00 C ATOM 686 O TYR A 42 8.052 8.736 -4.857 1.00 0.00 O ATOM 687 CB TYR A 42 5.747 6.304 -4.750 1.00 0.00 C ATOM 688 CG TYR A 42 4.898 7.537 -4.963 1.00 0.00 C ATOM 689 CD1 TYR A 42 4.520 8.338 -3.893 1.00 0.00 C ATOM 690 CD2 TYR A 42 4.474 7.901 -6.235 1.00 0.00 C ATOM 691 CE1 TYR A 42 3.743 9.464 -4.083 1.00 0.00 C ATOM 692 CE2 TYR A 42 3.698 9.026 -6.435 1.00 0.00 C ATOM 693 CZ TYR A 42 3.335 9.805 -5.356 1.00 0.00 C ATOM 694 OH TYR A 42 2.562 10.927 -5.549 1.00 0.00 O ATOM 0 H TYR A 42 6.831 8.179 -2.851 1.00 0.00 H new ATOM 0 HA TYR A 42 7.709 5.680 -4.136 1.00 0.00 H new ATOM 0 HB2 TYR A 42 5.844 5.772 -5.696 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.234 5.635 -4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.839 8.076 -2.895 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.756 7.294 -7.082 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.456 10.074 -3.239 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.377 9.294 -7.431 1.00 0.00 H new ATOM 0 HH TYR A 42 2.362 11.026 -6.503 1.00 0.00 H new ATOM 704 N TYR A 43 8.302 7.022 -6.294 1.00 0.00 N ATOM 705 CA TYR A 43 9.018 7.816 -7.286 1.00 0.00 C ATOM 706 C TYR A 43 8.580 7.444 -8.700 1.00 0.00 C ATOM 707 O TYR A 43 7.856 6.469 -8.902 1.00 0.00 O ATOM 708 CB TYR A 43 10.527 7.615 -7.138 1.00 0.00 C ATOM 709 CG TYR A 43 10.972 7.401 -5.709 1.00 0.00 C ATOM 710 CD1 TYR A 43 10.530 6.304 -4.980 1.00 0.00 C ATOM 711 CD2 TYR A 43 11.833 8.297 -5.087 1.00 0.00 C ATOM 712 CE1 TYR A 43 10.933 6.105 -3.674 1.00 0.00 C ATOM 713 CE2 TYR A 43 12.242 8.105 -3.781 1.00 0.00 C ATOM 714 CZ TYR A 43 11.790 7.007 -3.079 1.00 0.00 C ATOM 715 OH TYR A 43 12.194 6.813 -1.778 1.00 0.00 O ATOM 0 H TYR A 43 8.164 6.046 -6.555 1.00 0.00 H new ATOM 0 HA TYR A 43 8.780 8.866 -7.115 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.831 6.757 -7.737 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.043 8.485 -7.544 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.860 5.595 -5.442 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.189 9.158 -5.633 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.579 5.247 -3.121 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.912 8.811 -3.313 1.00 0.00 H new ATOM 0 HH TYR A 43 12.797 7.538 -1.511 1.00 0.00 H new ATOM 725 N LYS A 44 9.027 8.227 -9.675 1.00 0.00 N ATOM 726 CA LYS A 44 8.685 7.982 -11.071 1.00 0.00 C ATOM 727 C LYS A 44 9.261 6.652 -11.547 1.00 0.00 C ATOM 728 O LYS A 44 8.549 5.823 -12.114 1.00 0.00 O ATOM 729 CB LYS A 44 9.206 9.119 -11.953 1.00 0.00 C ATOM 730 CG LYS A 44 8.526 10.452 -11.690 1.00 0.00 C ATOM 731 CD LYS A 44 8.894 11.483 -12.744 1.00 0.00 C ATOM 732 CE LYS A 44 7.789 12.511 -12.928 1.00 0.00 C ATOM 733 NZ LYS A 44 8.138 13.522 -13.965 1.00 0.00 N ATOM 0 H LYS A 44 9.628 9.038 -9.524 1.00 0.00 H new ATOM 0 HA LYS A 44 7.599 7.937 -11.150 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.278 9.230 -11.793 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.066 8.849 -13.000 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.445 10.314 -11.677 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.812 10.819 -10.705 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.816 11.987 -12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.088 10.982 -13.692 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.866 12.005 -13.210 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.600 13.014 -11.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.359 14.205 -14.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.005 14.023 -13.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.294 13.045 -14.876 1.00 0.00 H new ATOM 747 N SER A 45 10.554 6.454 -11.311 1.00 0.00 N ATOM 748 CA SER A 45 11.226 5.225 -11.717 1.00 0.00 C ATOM 749 C SER A 45 12.329 4.857 -10.730 1.00 0.00 C ATOM 750 O SER A 45 12.778 5.693 -9.946 1.00 0.00 O ATOM 751 CB SER A 45 11.813 5.380 -13.121 1.00 0.00 C ATOM 752 OG SER A 45 10.977 6.181 -13.938 1.00 0.00 O ATOM 0 H SER A 45 11.157 7.129 -10.841 1.00 0.00 H new ATOM 0 HA SER A 45 10.488 4.423 -11.726 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.803 5.831 -13.057 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.939 4.398 -13.576 1.00 0.00 H new ATOM 0 HG SER A 45 11.375 6.266 -14.829 1.00 0.00 H new ATOM 758 N GLN A 46 12.760 3.601 -10.775 1.00 0.00 N ATOM 759 CA GLN A 46 13.810 3.121 -9.884 1.00 0.00 C ATOM 760 C GLN A 46 15.099 3.911 -10.087 1.00 0.00 C ATOM 761 O GLN A 46 15.702 4.391 -9.128 1.00 0.00 O ATOM 762 CB GLN A 46 14.068 1.632 -10.121 1.00 0.00 C ATOM 763 CG GLN A 46 14.710 0.930 -8.935 1.00 0.00 C ATOM 764 CD GLN A 46 16.217 1.096 -8.904 1.00 0.00 C ATOM 765 OE1 GLN A 46 16.786 1.524 -7.900 1.00 0.00 O ATOM 766 NE2 GLN A 46 16.873 0.757 -10.008 1.00 0.00 N ATOM 0 H GLN A 46 12.399 2.897 -11.419 1.00 0.00 H new ATOM 0 HA GLN A 46 13.474 3.265 -8.857 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.124 1.141 -10.356 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.712 1.518 -10.993 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.286 1.324 -8.011 1.00 0.00 H new ATOM 0 HG3 GLN A 46 14.466 -0.132 -8.970 1.00 0.00 H new ATOM 0 HE21 GLN A 46 16.361 0.406 -10.818 1.00 0.00 H new ATOM 0 HE22 GLN A 46 17.888 0.847 -10.046 1.00 0.00 H new ATOM 775 N ASP A 47 15.515 4.042 -11.342 1.00 0.00 N ATOM 776 CA ASP A 47 16.733 4.774 -11.671 1.00 0.00 C ATOM 777 C ASP A 47 16.866 6.023 -10.806 1.00 0.00 C ATOM 778 O ASP A 47 17.873 6.213 -10.125 1.00 0.00 O ATOM 779 CB ASP A 47 16.736 5.161 -13.151 1.00 0.00 C ATOM 780 CG ASP A 47 15.372 5.612 -13.635 1.00 0.00 C ATOM 781 OD1 ASP A 47 14.917 6.692 -13.203 1.00 0.00 O ATOM 782 OD2 ASP A 47 14.759 4.885 -14.444 1.00 0.00 O ATOM 0 H ASP A 47 15.027 3.651 -12.148 1.00 0.00 H new ATOM 0 HA ASP A 47 17.584 4.123 -11.472 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.458 5.961 -13.313 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.066 4.309 -13.746 1.00 0.00 H new ATOM 787 N GLU A 48 15.844 6.873 -10.840 1.00 0.00 N ATOM 788 CA GLU A 48 15.849 8.105 -10.060 1.00 0.00 C ATOM 789 C GLU A 48 16.198 7.823 -8.601 1.00 0.00 C ATOM 790 O GLU A 48 17.191 8.330 -8.081 1.00 0.00 O ATOM 791 CB GLU A 48 14.486 8.794 -10.145 1.00 0.00 C ATOM 792 CG GLU A 48 14.225 9.462 -11.485 1.00 0.00 C ATOM 793 CD GLU A 48 13.323 10.676 -11.366 1.00 0.00 C ATOM 794 OE1 GLU A 48 13.721 11.647 -10.689 1.00 0.00 O ATOM 795 OE2 GLU A 48 12.220 10.654 -11.951 1.00 0.00 O ATOM 0 H GLU A 48 15.003 6.731 -11.399 1.00 0.00 H new ATOM 0 HA GLU A 48 16.609 8.766 -10.477 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.704 8.058 -9.957 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.417 9.542 -9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.175 9.762 -11.928 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.770 8.741 -12.164 1.00 0.00 H new ATOM 802 N ALA A 49 15.373 7.012 -7.947 1.00 0.00 N ATOM 803 CA ALA A 49 15.595 6.662 -6.550 1.00 0.00 C ATOM 804 C ALA A 49 17.055 6.301 -6.299 1.00 0.00 C ATOM 805 O ALA A 49 17.762 5.823 -7.186 1.00 0.00 O ATOM 806 CB ALA A 49 14.687 5.510 -6.144 1.00 0.00 C ATOM 0 H ALA A 49 14.545 6.585 -8.362 1.00 0.00 H new ATOM 0 HA ALA A 49 15.354 7.533 -5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.863 5.259 -5.098 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.646 5.804 -6.276 1.00 0.00 H new ATOM 0 HB3 ALA A 49 14.901 4.641 -6.767 1.00 0.00 H new ATOM 812 N PRO A 50 17.519 6.534 -5.062 1.00 0.00 N ATOM 813 CA PRO A 50 16.686 7.102 -3.998 1.00 0.00 C ATOM 814 C PRO A 50 16.343 8.566 -4.251 1.00 0.00 C ATOM 815 O PRO A 50 15.199 8.985 -4.076 1.00 0.00 O ATOM 816 CB PRO A 50 17.563 6.967 -2.751 1.00 0.00 C ATOM 817 CG PRO A 50 18.959 6.944 -3.270 1.00 0.00 C ATOM 818 CD PRO A 50 18.893 6.260 -4.608 1.00 0.00 C ATOM 0 HA PRO A 50 15.725 6.594 -3.917 1.00 0.00 H new ATOM 0 HB2 PRO A 50 17.409 7.801 -2.067 1.00 0.00 H new ATOM 0 HB3 PRO A 50 17.330 6.056 -2.200 1.00 0.00 H new ATOM 0 HG2 PRO A 50 19.356 7.955 -3.368 1.00 0.00 H new ATOM 0 HG3 PRO A 50 19.619 6.407 -2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 50 19.633 6.660 -5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 50 19.082 5.190 -4.522 1.00 0.00 H new ATOM 826 N GLY A 51 17.341 9.341 -4.665 1.00 0.00 N ATOM 827 CA GLY A 51 17.123 10.750 -4.936 1.00 0.00 C ATOM 828 C GLY A 51 16.116 11.373 -3.989 1.00 0.00 C ATOM 829 O GLY A 51 16.389 11.534 -2.800 1.00 0.00 O ATOM 0 H GLY A 51 18.296 9.018 -4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 51 18.070 11.283 -4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.775 10.870 -5.962 1.00 0.00 H new ATOM 833 N ASP A 52 14.950 11.727 -4.518 1.00 0.00 N ATOM 834 CA ASP A 52 13.899 12.337 -3.713 1.00 0.00 C ATOM 835 C ASP A 52 12.523 11.842 -4.149 1.00 0.00 C ATOM 836 O ASP A 52 12.210 11.772 -5.338 1.00 0.00 O ATOM 837 CB ASP A 52 13.964 13.861 -3.821 1.00 0.00 C ATOM 838 CG ASP A 52 13.209 14.553 -2.703 1.00 0.00 C ATOM 839 OD1 ASP A 52 13.652 14.455 -1.539 1.00 0.00 O ATOM 840 OD2 ASP A 52 12.176 15.192 -2.991 1.00 0.00 O ATOM 0 H ASP A 52 14.709 11.602 -5.501 1.00 0.00 H new ATOM 0 HA ASP A 52 14.057 12.047 -2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.006 14.180 -3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.552 14.172 -4.781 1.00 0.00 H new ATOM 845 N PRO A 53 11.682 11.489 -3.166 1.00 0.00 N ATOM 846 CA PRO A 53 10.326 10.993 -3.424 1.00 0.00 C ATOM 847 C PRO A 53 9.403 12.083 -3.957 1.00 0.00 C ATOM 848 O PRO A 53 9.501 13.243 -3.556 1.00 0.00 O ATOM 849 CB PRO A 53 9.855 10.518 -2.048 1.00 0.00 C ATOM 850 CG PRO A 53 10.652 11.318 -1.077 1.00 0.00 C ATOM 851 CD PRO A 53 11.988 11.546 -1.727 1.00 0.00 C ATOM 0 HA PRO A 53 10.314 10.213 -4.186 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.786 10.686 -1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.028 9.450 -1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.160 12.265 -0.854 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.763 10.787 -0.132 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.413 12.509 -1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.710 10.782 -1.439 1.00 0.00 H new ATOM 859 N ILE A 54 8.506 11.703 -4.861 1.00 0.00 N ATOM 860 CA ILE A 54 7.564 12.648 -5.447 1.00 0.00 C ATOM 861 C ILE A 54 6.739 13.342 -4.368 1.00 0.00 C ATOM 862 O ILE A 54 6.480 14.542 -4.448 1.00 0.00 O ATOM 863 CB ILE A 54 6.612 11.953 -6.438 1.00 0.00 C ATOM 864 CG1 ILE A 54 7.347 11.622 -7.738 1.00 0.00 C ATOM 865 CG2 ILE A 54 5.402 12.833 -6.716 1.00 0.00 C ATOM 866 CD1 ILE A 54 6.754 10.448 -8.485 1.00 0.00 C ATOM 0 H ILE A 54 8.412 10.747 -5.203 1.00 0.00 H new ATOM 0 HA ILE A 54 8.154 13.391 -5.984 1.00 0.00 H new ATOM 0 HB ILE A 54 6.264 11.021 -5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.335 12.498 -8.386 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.391 11.408 -7.511 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.739 12.328 -7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.868 13.023 -5.785 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.731 13.780 -7.145 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.325 10.270 -9.396 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.791 9.560 -7.855 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.718 10.667 -8.743 1.00 0.00 H new ATOM 878 N GLN A 55 6.332 12.578 -3.360 1.00 0.00 N ATOM 879 CA GLN A 55 5.537 13.120 -2.264 1.00 0.00 C ATOM 880 C GLN A 55 5.503 12.153 -1.086 1.00 0.00 C ATOM 881 O GLN A 55 4.934 11.066 -1.180 1.00 0.00 O ATOM 882 CB GLN A 55 4.113 13.417 -2.737 1.00 0.00 C ATOM 883 CG GLN A 55 3.943 14.811 -3.320 1.00 0.00 C ATOM 884 CD GLN A 55 2.545 15.361 -3.119 1.00 0.00 C ATOM 885 OE1 GLN A 55 2.370 16.490 -2.659 1.00 0.00 O ATOM 886 NE2 GLN A 55 1.540 14.565 -3.465 1.00 0.00 N ATOM 0 H GLN A 55 6.539 11.583 -3.279 1.00 0.00 H new ATOM 0 HA GLN A 55 6.004 14.048 -1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.828 12.681 -3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.428 13.297 -1.898 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.664 15.485 -2.857 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.169 14.785 -4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.731 13.637 -3.842 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.577 14.882 -3.354 1.00 0.00 H new ATOM 895 N GLN A 56 6.116 12.556 0.023 1.00 0.00 N ATOM 896 CA GLN A 56 6.156 11.724 1.219 1.00 0.00 C ATOM 897 C GLN A 56 4.994 12.053 2.151 1.00 0.00 C ATOM 898 O GLN A 56 4.606 13.214 2.290 1.00 0.00 O ATOM 899 CB GLN A 56 7.484 11.913 1.954 1.00 0.00 C ATOM 900 CG GLN A 56 7.669 13.310 2.525 1.00 0.00 C ATOM 901 CD GLN A 56 9.128 13.676 2.711 1.00 0.00 C ATOM 902 OE1 GLN A 56 9.940 12.846 3.122 1.00 0.00 O ATOM 903 NE2 GLN A 56 9.470 14.923 2.409 1.00 0.00 N ATOM 0 H GLN A 56 6.591 13.453 0.117 1.00 0.00 H new ATOM 0 HA GLN A 56 6.066 10.683 0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.548 11.187 2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.303 11.698 1.268 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.198 14.035 1.861 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.156 13.377 3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.764 15.578 2.072 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.438 15.226 2.514 1.00 0.00 H new ATOM 912 N LEU A 57 4.443 11.025 2.787 1.00 0.00 N ATOM 913 CA LEU A 57 3.324 11.205 3.706 1.00 0.00 C ATOM 914 C LEU A 57 3.430 10.245 4.886 1.00 0.00 C ATOM 915 O LEU A 57 3.648 9.048 4.707 1.00 0.00 O ATOM 916 CB LEU A 57 1.998 10.989 2.975 1.00 0.00 C ATOM 917 CG LEU A 57 1.907 11.570 1.563 1.00 0.00 C ATOM 918 CD1 LEU A 57 0.856 10.831 0.749 1.00 0.00 C ATOM 919 CD2 LEU A 57 1.593 13.058 1.618 1.00 0.00 C ATOM 0 H LEU A 57 4.752 10.059 2.683 1.00 0.00 H new ATOM 0 HA LEU A 57 3.359 12.226 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.808 9.917 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.199 11.423 3.577 1.00 0.00 H new ATOM 0 HG LEU A 57 2.873 11.441 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.805 11.258 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.124 9.777 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.115 10.928 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.532 13.455 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.640 13.210 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.382 13.576 2.164 1.00 0.00 H new ATOM 931 N ASN A 58 3.270 10.779 6.093 1.00 0.00 N ATOM 932 CA ASN A 58 3.346 9.969 7.303 1.00 0.00 C ATOM 933 C ASN A 58 2.047 9.199 7.525 1.00 0.00 C ATOM 934 O ASN A 58 1.038 9.769 7.943 1.00 0.00 O ATOM 935 CB ASN A 58 3.641 10.854 8.516 1.00 0.00 C ATOM 936 CG ASN A 58 4.413 10.118 9.594 1.00 0.00 C ATOM 937 OD1 ASN A 58 5.237 9.252 9.302 1.00 0.00 O ATOM 938 ND2 ASN A 58 4.148 10.460 10.850 1.00 0.00 N ATOM 0 H ASN A 58 3.087 11.769 6.259 1.00 0.00 H new ATOM 0 HA ASN A 58 4.157 9.251 7.179 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.211 11.726 8.196 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.703 11.221 8.931 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.636 9.999 11.618 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.457 11.184 11.046 1.00 0.00 H new ATOM 945 N LEU A 59 2.079 7.902 7.242 1.00 0.00 N ATOM 946 CA LEU A 59 0.905 7.053 7.411 1.00 0.00 C ATOM 947 C LEU A 59 0.165 7.397 8.699 1.00 0.00 C ATOM 948 O LEU A 59 -1.046 7.201 8.803 1.00 0.00 O ATOM 949 CB LEU A 59 1.315 5.579 7.423 1.00 0.00 C ATOM 950 CG LEU A 59 1.669 4.969 6.066 1.00 0.00 C ATOM 951 CD1 LEU A 59 2.502 3.710 6.248 1.00 0.00 C ATOM 952 CD2 LEU A 59 0.407 4.666 5.272 1.00 0.00 C ATOM 0 H LEU A 59 2.905 7.415 6.894 1.00 0.00 H new ATOM 0 HA LEU A 59 0.234 7.231 6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.174 5.467 8.084 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.501 5.000 7.858 1.00 0.00 H new ATOM 0 HG LEU A 59 2.261 5.694 5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.744 3.290 5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.423 3.956 6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.936 2.980 6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.678 4.233 4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.211 3.960 5.827 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.151 5.588 5.110 1.00 0.00 H new ATOM 964 N LYS A 60 0.900 7.913 9.678 1.00 0.00 N ATOM 965 CA LYS A 60 0.314 8.289 10.959 1.00 0.00 C ATOM 966 C LYS A 60 -0.875 9.223 10.760 1.00 0.00 C ATOM 967 O LYS A 60 -0.752 10.276 10.135 1.00 0.00 O ATOM 968 CB LYS A 60 1.364 8.963 11.845 1.00 0.00 C ATOM 969 CG LYS A 60 2.136 7.991 12.720 1.00 0.00 C ATOM 970 CD LYS A 60 1.369 7.651 13.987 1.00 0.00 C ATOM 971 CE LYS A 60 2.308 7.267 15.121 1.00 0.00 C ATOM 972 NZ LYS A 60 2.744 8.455 15.906 1.00 0.00 N ATOM 0 H LYS A 60 1.904 8.081 9.609 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.038 7.382 11.450 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.066 9.506 11.213 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.872 9.699 12.481 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.338 7.078 12.160 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.101 8.424 12.983 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.764 8.506 14.288 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.682 6.829 13.788 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.809 6.558 15.782 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.183 6.760 14.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.382 8.152 16.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.243 9.120 15.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.912 8.924 16.317 1.00 0.00 H new ATOM 986 N GLY A 61 -2.027 8.832 11.297 1.00 0.00 N ATOM 987 CA GLY A 61 -3.221 9.647 11.168 1.00 0.00 C ATOM 988 C GLY A 61 -3.981 9.363 9.889 1.00 0.00 C ATOM 989 O GLY A 61 -5.206 9.482 9.847 1.00 0.00 O ATOM 0 H GLY A 61 -2.155 7.965 11.819 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.874 9.467 12.022 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.943 10.701 11.195 1.00 0.00 H new ATOM 993 N CYS A 62 -3.255 8.987 8.842 1.00 0.00 N ATOM 994 CA CYS A 62 -3.869 8.688 7.553 1.00 0.00 C ATOM 995 C CYS A 62 -5.075 7.770 7.726 1.00 0.00 C ATOM 996 O CYS A 62 -5.328 7.261 8.817 1.00 0.00 O ATOM 997 CB CYS A 62 -2.849 8.038 6.617 1.00 0.00 C ATOM 998 SG CYS A 62 -2.737 6.241 6.781 1.00 0.00 S ATOM 0 H CYS A 62 -2.241 8.882 8.860 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.208 9.626 7.114 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.109 8.283 5.587 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.868 8.472 6.809 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.947 5.944 7.769 1.00 0.00 H new ATOM 1004 N GLU A 63 -5.817 7.566 6.641 1.00 0.00 N ATOM 1005 CA GLU A 63 -6.998 6.712 6.674 1.00 0.00 C ATOM 1006 C GLU A 63 -6.786 5.456 5.833 1.00 0.00 C ATOM 1007 O GLU A 63 -6.110 5.491 4.805 1.00 0.00 O ATOM 1008 CB GLU A 63 -8.223 7.477 6.168 1.00 0.00 C ATOM 1009 CG GLU A 63 -9.543 6.909 6.663 1.00 0.00 C ATOM 1010 CD GLU A 63 -10.685 7.899 6.542 1.00 0.00 C ATOM 1011 OE1 GLU A 63 -11.176 8.105 5.412 1.00 0.00 O ATOM 1012 OE2 GLU A 63 -11.089 8.467 7.578 1.00 0.00 O ATOM 0 H GLU A 63 -5.621 7.980 5.730 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.168 6.411 7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.145 8.518 6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.220 7.470 5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.784 6.011 6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.437 6.608 7.705 1.00 0.00 H new ATOM 1019 N VAL A 64 -7.368 4.347 6.279 1.00 0.00 N ATOM 1020 CA VAL A 64 -7.244 3.080 5.568 1.00 0.00 C ATOM 1021 C VAL A 64 -8.607 2.433 5.356 1.00 0.00 C ATOM 1022 O VAL A 64 -9.203 1.896 6.290 1.00 0.00 O ATOM 1023 CB VAL A 64 -6.333 2.098 6.327 1.00 0.00 C ATOM 1024 CG1 VAL A 64 -6.324 0.740 5.642 1.00 0.00 C ATOM 1025 CG2 VAL A 64 -4.923 2.657 6.440 1.00 0.00 C ATOM 0 H VAL A 64 -7.930 4.300 7.129 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.797 3.303 4.599 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.729 1.968 7.334 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.675 0.059 6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.337 0.337 5.619 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.954 0.849 4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.293 1.949 6.979 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.515 2.819 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.949 3.604 6.979 1.00 0.00 H new ATOM 1035 N VAL A 65 -9.097 2.487 4.122 1.00 0.00 N ATOM 1036 CA VAL A 65 -10.391 1.904 3.786 1.00 0.00 C ATOM 1037 C VAL A 65 -10.232 0.727 2.830 1.00 0.00 C ATOM 1038 O VAL A 65 -10.136 0.891 1.614 1.00 0.00 O ATOM 1039 CB VAL A 65 -11.328 2.946 3.148 1.00 0.00 C ATOM 1040 CG1 VAL A 65 -12.745 2.403 3.053 1.00 0.00 C ATOM 1041 CG2 VAL A 65 -11.297 4.245 3.940 1.00 0.00 C ATOM 0 H VAL A 65 -8.617 2.929 3.338 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.832 1.554 4.719 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.977 3.155 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.393 3.153 2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.749 1.502 2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -13.111 2.164 4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.965 4.970 3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.622 4.055 4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.282 4.641 3.950 1.00 0.00 H new ATOM 1051 N PRO A 66 -10.203 -0.491 3.392 1.00 0.00 N ATOM 1052 CA PRO A 66 -10.057 -1.721 2.607 1.00 0.00 C ATOM 1053 C PRO A 66 -11.296 -2.027 1.773 1.00 0.00 C ATOM 1054 O PRO A 66 -12.424 -1.908 2.252 1.00 0.00 O ATOM 1055 CB PRO A 66 -9.851 -2.800 3.673 1.00 0.00 C ATOM 1056 CG PRO A 66 -10.502 -2.252 4.897 1.00 0.00 C ATOM 1057 CD PRO A 66 -10.312 -0.762 4.835 1.00 0.00 C ATOM 0 HA PRO A 66 -9.241 -1.651 1.888 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.304 -3.745 3.373 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.792 -2.994 3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.561 -2.510 4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.050 -2.666 5.798 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.153 -0.231 5.281 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.416 -0.449 5.371 1.00 0.00 H new ATOM 1065 N ASP A 67 -11.079 -2.422 0.523 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.179 -2.746 -0.378 1.00 0.00 C ATOM 1067 C ASP A 67 -12.219 -4.243 -0.670 1.00 0.00 C ATOM 1068 O ASP A 67 -12.729 -4.671 -1.705 1.00 0.00 O ATOM 1069 CB ASP A 67 -12.044 -1.963 -1.685 1.00 0.00 C ATOM 1070 CG ASP A 67 -13.370 -1.801 -2.402 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -14.362 -1.435 -1.739 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -13.415 -2.041 -3.627 1.00 0.00 O ATOM 0 H ASP A 67 -10.152 -2.525 0.111 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.111 -2.464 0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.626 -0.979 -1.474 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.340 -2.475 -2.341 1.00 0.00 H new ATOM 1077 N VAL A 68 -11.677 -5.035 0.250 1.00 0.00 N ATOM 1078 CA VAL A 68 -11.650 -6.484 0.092 1.00 0.00 C ATOM 1079 C VAL A 68 -13.012 -7.015 -0.340 1.00 0.00 C ATOM 1080 O VAL A 68 -13.990 -6.918 0.400 1.00 0.00 O ATOM 1081 CB VAL A 68 -11.230 -7.183 1.399 1.00 0.00 C ATOM 1082 CG1 VAL A 68 -11.212 -8.693 1.214 1.00 0.00 C ATOM 1083 CG2 VAL A 68 -9.871 -6.678 1.860 1.00 0.00 C ATOM 0 H VAL A 68 -11.251 -4.697 1.113 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.915 -6.705 -0.682 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.962 -6.944 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.913 -9.170 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.207 -9.037 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.503 -8.955 0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.590 -7.182 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.126 -6.886 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.922 -5.603 2.034 1.00 0.00 H new ATOM 1093 N ASN A 69 -13.068 -7.576 -1.544 1.00 0.00 N ATOM 1094 CA ASN A 69 -14.311 -8.123 -2.075 1.00 0.00 C ATOM 1095 C ASN A 69 -14.134 -9.583 -2.478 1.00 0.00 C ATOM 1096 O ASN A 69 -14.236 -9.931 -3.655 1.00 0.00 O ATOM 1097 CB ASN A 69 -14.779 -7.303 -3.280 1.00 0.00 C ATOM 1098 CG ASN A 69 -16.285 -7.335 -3.451 1.00 0.00 C ATOM 1099 OD1 ASN A 69 -17.031 -7.417 -2.474 1.00 0.00 O ATOM 1100 ND2 ASN A 69 -16.741 -7.272 -4.696 1.00 0.00 N ATOM 0 H ASN A 69 -12.267 -7.664 -2.170 1.00 0.00 H new ATOM 0 HA ASN A 69 -15.067 -8.070 -1.291 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -14.451 -6.270 -3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -14.305 -7.687 -4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -17.745 -7.291 -4.873 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -16.087 -7.205 -5.476 1.00 0.00 H new ATOM 1107 N VAL A 70 -13.870 -10.436 -1.493 1.00 0.00 N ATOM 1108 CA VAL A 70 -13.681 -11.859 -1.743 1.00 0.00 C ATOM 1109 C VAL A 70 -14.630 -12.357 -2.828 1.00 0.00 C ATOM 1110 O VAL A 70 -14.310 -13.288 -3.567 1.00 0.00 O ATOM 1111 CB VAL A 70 -13.900 -12.688 -0.464 1.00 0.00 C ATOM 1112 CG1 VAL A 70 -13.930 -14.174 -0.789 1.00 0.00 C ATOM 1113 CG2 VAL A 70 -12.820 -12.381 0.562 1.00 0.00 C ATOM 0 H VAL A 70 -13.782 -10.165 -0.514 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.652 -11.988 -2.078 1.00 0.00 H new ATOM 0 HB VAL A 70 -14.864 -12.414 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -14.086 -14.744 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.743 -14.378 -1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.983 -14.467 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.991 -12.976 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.843 -12.625 0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.851 -11.322 0.818 1.00 0.00 H new ATOM 1123 N SER A 71 -15.798 -11.730 -2.917 1.00 0.00 N ATOM 1124 CA SER A 71 -16.796 -12.112 -3.910 1.00 0.00 C ATOM 1125 C SER A 71 -16.149 -12.334 -5.273 1.00 0.00 C ATOM 1126 O SER A 71 -16.307 -13.391 -5.883 1.00 0.00 O ATOM 1127 CB SER A 71 -17.878 -11.036 -4.015 1.00 0.00 C ATOM 1128 OG SER A 71 -18.998 -11.508 -4.744 1.00 0.00 O ATOM 0 H SER A 71 -16.077 -10.956 -2.314 1.00 0.00 H new ATOM 0 HA SER A 71 -17.254 -13.048 -3.589 1.00 0.00 H new ATOM 0 HB2 SER A 71 -18.192 -10.733 -3.016 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.469 -10.151 -4.503 1.00 0.00 H new ATOM 0 HG SER A 71 -19.676 -10.802 -4.795 1.00 0.00 H new ATOM 1134 N GLY A 72 -15.419 -11.328 -5.746 1.00 0.00 N ATOM 1135 CA GLY A 72 -14.759 -11.432 -7.034 1.00 0.00 C ATOM 1136 C GLY A 72 -13.248 -11.412 -6.914 1.00 0.00 C ATOM 1137 O GLY A 72 -12.572 -10.683 -7.639 1.00 0.00 O ATOM 0 H GLY A 72 -15.273 -10.443 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -15.069 -12.355 -7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.081 -10.608 -7.671 1.00 0.00 H new ATOM 1141 N GLN A 73 -12.718 -12.213 -5.996 1.00 0.00 N ATOM 1142 CA GLN A 73 -11.277 -12.282 -5.782 1.00 0.00 C ATOM 1143 C GLN A 73 -10.630 -10.917 -5.989 1.00 0.00 C ATOM 1144 O GLN A 73 -9.608 -10.798 -6.664 1.00 0.00 O ATOM 1145 CB GLN A 73 -10.649 -13.306 -6.729 1.00 0.00 C ATOM 1146 CG GLN A 73 -11.100 -14.734 -6.467 1.00 0.00 C ATOM 1147 CD GLN A 73 -10.734 -15.216 -5.078 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -9.562 -15.232 -4.702 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -11.738 -15.614 -4.305 1.00 0.00 N ATOM 0 H GLN A 73 -13.264 -12.823 -5.388 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.102 -12.594 -4.752 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.897 -13.038 -7.756 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.564 -13.254 -6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.180 -14.799 -6.597 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.649 -15.395 -7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.695 -15.584 -4.656 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -11.552 -15.949 -3.360 1.00 0.00 H new ATOM 1158 N LYS A 74 -11.233 -9.887 -5.404 1.00 0.00 N ATOM 1159 CA LYS A 74 -10.717 -8.529 -5.523 1.00 0.00 C ATOM 1160 C LYS A 74 -10.096 -8.066 -4.209 1.00 0.00 C ATOM 1161 O LYS A 74 -10.490 -8.515 -3.132 1.00 0.00 O ATOM 1162 CB LYS A 74 -11.835 -7.570 -5.936 1.00 0.00 C ATOM 1163 CG LYS A 74 -11.346 -6.170 -6.265 1.00 0.00 C ATOM 1164 CD LYS A 74 -12.499 -5.186 -6.366 1.00 0.00 C ATOM 1165 CE LYS A 74 -12.002 -3.750 -6.445 1.00 0.00 C ATOM 1166 NZ LYS A 74 -13.012 -2.846 -7.060 1.00 0.00 N ATOM 0 H LYS A 74 -12.081 -9.968 -4.842 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.944 -8.528 -6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.350 -7.979 -6.805 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.567 -7.510 -5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.649 -5.837 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.798 -6.187 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.097 -5.414 -7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.152 -5.299 -5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.759 -3.395 -5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.082 -3.716 -7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.635 -1.877 -7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.226 -3.170 -8.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.882 -2.858 -6.490 1.00 0.00 H new ATOM 1180 N PHE A 75 -9.124 -7.165 -4.304 1.00 0.00 N ATOM 1181 CA PHE A 75 -8.449 -6.641 -3.122 1.00 0.00 C ATOM 1182 C PHE A 75 -7.823 -5.280 -3.412 1.00 0.00 C ATOM 1183 O PHE A 75 -7.003 -5.142 -4.320 1.00 0.00 O ATOM 1184 CB PHE A 75 -7.372 -7.619 -2.648 1.00 0.00 C ATOM 1185 CG PHE A 75 -7.854 -9.038 -2.548 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -7.948 -9.833 -3.679 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -8.211 -9.578 -1.323 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -8.392 -11.139 -3.590 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -8.655 -10.883 -1.227 1.00 0.00 C ATOM 1190 CZ PHE A 75 -8.744 -11.665 -2.362 1.00 0.00 C ATOM 0 H PHE A 75 -8.786 -6.782 -5.187 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.192 -6.519 -2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.527 -7.578 -3.336 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.005 -7.299 -1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.671 -9.428 -4.641 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.141 -8.971 -0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.464 -11.747 -4.479 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.932 -11.291 -0.266 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.088 -12.686 -2.290 1.00 0.00 H new ATOM 1200 N CYS A 76 -8.217 -4.277 -2.634 1.00 0.00 N ATOM 1201 CA CYS A 76 -7.696 -2.926 -2.807 1.00 0.00 C ATOM 1202 C CYS A 76 -7.467 -2.254 -1.457 1.00 0.00 C ATOM 1203 O CYS A 76 -8.072 -2.634 -0.454 1.00 0.00 O ATOM 1204 CB CYS A 76 -8.660 -2.090 -3.650 1.00 0.00 C ATOM 1205 SG CYS A 76 -7.867 -0.749 -4.568 1.00 0.00 S ATOM 0 H CYS A 76 -8.895 -4.374 -1.878 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.739 -2.995 -3.324 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -9.171 -2.746 -4.355 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.423 -1.667 -2.997 1.00 0.00 H new ATOM 0 HG CYS A 76 -6.625 -0.646 -4.199 1.00 0.00 H new ATOM 1211 N ILE A 77 -6.590 -1.256 -1.440 1.00 0.00 N ATOM 1212 CA ILE A 77 -6.282 -0.533 -0.213 1.00 0.00 C ATOM 1213 C ILE A 77 -6.362 0.975 -0.428 1.00 0.00 C ATOM 1214 O ILE A 77 -5.443 1.585 -0.973 1.00 0.00 O ATOM 1215 CB ILE A 77 -4.879 -0.890 0.314 1.00 0.00 C ATOM 1216 CG1 ILE A 77 -4.685 -2.408 0.323 1.00 0.00 C ATOM 1217 CG2 ILE A 77 -4.675 -0.317 1.709 1.00 0.00 C ATOM 1218 CD1 ILE A 77 -3.258 -2.833 0.588 1.00 0.00 C ATOM 0 H ILE A 77 -6.081 -0.930 -2.261 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.026 -0.833 0.525 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.135 -0.451 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.333 -2.844 1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.004 -2.813 -0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.679 -0.578 2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.776 0.768 1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.424 -0.730 2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.195 -3.921 0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.607 -2.426 -0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.942 -2.458 1.562 1.00 0.00 H new ATOM 1230 N LYS A 78 -7.468 1.570 0.005 1.00 0.00 N ATOM 1231 CA LYS A 78 -7.670 3.007 -0.137 1.00 0.00 C ATOM 1232 C LYS A 78 -6.748 3.781 0.800 1.00 0.00 C ATOM 1233 O LYS A 78 -6.826 3.639 2.021 1.00 0.00 O ATOM 1234 CB LYS A 78 -9.128 3.370 0.151 1.00 0.00 C ATOM 1235 CG LYS A 78 -9.617 4.585 -0.618 1.00 0.00 C ATOM 1236 CD LYS A 78 -11.123 4.750 -0.503 1.00 0.00 C ATOM 1237 CE LYS A 78 -11.499 5.615 0.691 1.00 0.00 C ATOM 1238 NZ LYS A 78 -12.888 6.140 0.579 1.00 0.00 N ATOM 0 H LYS A 78 -8.239 1.079 0.458 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.430 3.282 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.761 2.517 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.243 3.556 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.122 5.479 -0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.340 4.488 -1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.512 5.200 -1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.591 3.770 -0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.404 5.031 1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.801 6.448 0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.106 6.724 1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.972 6.718 -0.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.557 5.345 0.529 1.00 0.00 H new ATOM 1252 N LEU A 79 -5.877 4.601 0.222 1.00 0.00 N ATOM 1253 CA LEU A 79 -4.941 5.399 1.007 1.00 0.00 C ATOM 1254 C LEU A 79 -5.324 6.875 0.974 1.00 0.00 C ATOM 1255 O LEU A 79 -5.446 7.473 -0.096 1.00 0.00 O ATOM 1256 CB LEU A 79 -3.517 5.218 0.477 1.00 0.00 C ATOM 1257 CG LEU A 79 -2.718 4.062 1.080 1.00 0.00 C ATOM 1258 CD1 LEU A 79 -3.464 2.749 0.904 1.00 0.00 C ATOM 1259 CD2 LEU A 79 -1.337 3.982 0.448 1.00 0.00 C ATOM 0 H LEU A 79 -5.799 4.731 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.984 5.054 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.568 5.074 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.966 6.143 0.649 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.597 4.247 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.880 1.938 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.430 2.810 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.617 2.557 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.782 3.154 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.437 3.821 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.801 4.914 0.627 1.00 0.00 H new ATOM 1271 N LEU A 80 -5.510 7.458 2.153 1.00 0.00 N ATOM 1272 CA LEU A 80 -5.877 8.866 2.261 1.00 0.00 C ATOM 1273 C LEU A 80 -5.009 9.578 3.294 1.00 0.00 C ATOM 1274 O LEU A 80 -4.953 9.176 4.456 1.00 0.00 O ATOM 1275 CB LEU A 80 -7.353 9.001 2.639 1.00 0.00 C ATOM 1276 CG LEU A 80 -8.345 9.013 1.476 1.00 0.00 C ATOM 1277 CD1 LEU A 80 -9.762 8.782 1.980 1.00 0.00 C ATOM 1278 CD2 LEU A 80 -8.256 10.326 0.711 1.00 0.00 C ATOM 0 H LEU A 80 -5.413 6.978 3.048 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.712 9.334 1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.614 8.178 3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.479 9.922 3.207 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.087 8.202 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.454 8.794 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.817 7.816 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.031 9.571 2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.969 10.316 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.487 11.154 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.247 10.450 0.316 1.00 0.00 H new ATOM 1290 N VAL A 81 -4.334 10.638 2.862 1.00 0.00 N ATOM 1291 CA VAL A 81 -3.471 11.408 3.750 1.00 0.00 C ATOM 1292 C VAL A 81 -3.768 12.900 3.647 1.00 0.00 C ATOM 1293 O VAL A 81 -3.366 13.575 2.700 1.00 0.00 O ATOM 1294 CB VAL A 81 -1.983 11.170 3.432 1.00 0.00 C ATOM 1295 CG1 VAL A 81 -1.100 11.847 4.469 1.00 0.00 C ATOM 1296 CG2 VAL A 81 -1.686 9.680 3.358 1.00 0.00 C ATOM 0 H VAL A 81 -4.368 10.983 1.903 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.677 11.068 4.765 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.762 11.610 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.052 11.668 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.294 12.920 4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.320 11.440 5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.630 9.530 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.922 9.214 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.292 9.227 2.574 1.00 0.00 H new ATOM 1306 N PRO A 82 -4.491 13.429 4.646 1.00 0.00 N ATOM 1307 CA PRO A 82 -4.858 14.848 4.692 1.00 0.00 C ATOM 1308 C PRO A 82 -3.656 15.750 4.952 1.00 0.00 C ATOM 1309 O PRO A 82 -2.828 15.462 5.817 1.00 0.00 O ATOM 1310 CB PRO A 82 -5.844 14.921 5.860 1.00 0.00 C ATOM 1311 CG PRO A 82 -5.486 13.768 6.732 1.00 0.00 C ATOM 1312 CD PRO A 82 -5.004 12.684 5.807 1.00 0.00 C ATOM 0 HA PRO A 82 -5.272 15.193 3.744 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.753 15.866 6.396 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.875 14.849 5.513 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.711 14.045 7.446 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.347 13.433 7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.226 12.077 6.270 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.811 12.008 5.526 1.00 0.00 H new ATOM 1320 N SER A 83 -3.567 16.841 4.199 1.00 0.00 N ATOM 1321 CA SER A 83 -2.463 17.783 4.346 1.00 0.00 C ATOM 1322 C SER A 83 -2.943 19.217 4.144 1.00 0.00 C ATOM 1323 O SER A 83 -3.997 19.470 3.560 1.00 0.00 O ATOM 1324 CB SER A 83 -1.352 17.460 3.347 1.00 0.00 C ATOM 1325 OG SER A 83 -0.442 16.515 3.884 1.00 0.00 O ATOM 0 H SER A 83 -4.246 17.095 3.481 1.00 0.00 H new ATOM 0 HA SER A 83 -2.070 17.688 5.358 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.788 17.068 2.428 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.819 18.373 3.083 1.00 0.00 H new ATOM 0 HG SER A 83 -0.884 16.001 4.592 1.00 0.00 H new ATOM 1331 N PRO A 84 -2.152 20.181 4.639 1.00 0.00 N ATOM 1332 CA PRO A 84 -2.474 21.606 4.525 1.00 0.00 C ATOM 1333 C PRO A 84 -2.361 22.113 3.092 1.00 0.00 C ATOM 1334 O PRO A 84 -2.879 23.178 2.758 1.00 0.00 O ATOM 1335 CB PRO A 84 -1.426 22.279 5.415 1.00 0.00 C ATOM 1336 CG PRO A 84 -0.279 21.327 5.435 1.00 0.00 C ATOM 1337 CD PRO A 84 -0.881 19.952 5.347 1.00 0.00 C ATOM 0 HA PRO A 84 -3.502 21.816 4.820 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -1.129 23.248 5.014 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -1.813 22.454 6.419 1.00 0.00 H new ATOM 0 HG2 PRO A 84 0.396 21.512 4.599 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.306 21.439 6.348 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.235 19.265 4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -1.043 19.520 6.335 1.00 0.00 H new ATOM 1345 N GLU A 85 -1.680 21.344 2.248 1.00 0.00 N ATOM 1346 CA GLU A 85 -1.499 21.717 0.850 1.00 0.00 C ATOM 1347 C GLU A 85 -2.729 21.349 0.026 1.00 0.00 C ATOM 1348 O GLU A 85 -3.195 22.134 -0.799 1.00 0.00 O ATOM 1349 CB GLU A 85 -0.260 21.031 0.272 1.00 0.00 C ATOM 1350 CG GLU A 85 0.014 21.391 -1.178 1.00 0.00 C ATOM 1351 CD GLU A 85 0.645 22.761 -1.330 1.00 0.00 C ATOM 1352 OE1 GLU A 85 1.524 23.104 -0.513 1.00 0.00 O ATOM 1353 OE2 GLU A 85 0.259 23.491 -2.268 1.00 0.00 O ATOM 0 H GLU A 85 -1.245 20.459 2.508 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.361 22.797 0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.608 21.299 0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.382 19.951 0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.673 20.641 -1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.920 21.361 -1.739 1.00 0.00 H new ATOM 1360 N GLY A 86 -3.250 20.147 0.254 1.00 0.00 N ATOM 1361 CA GLY A 86 -4.420 19.694 -0.475 1.00 0.00 C ATOM 1362 C GLY A 86 -4.903 18.335 -0.010 1.00 0.00 C ATOM 1363 O GLY A 86 -5.303 18.173 1.143 1.00 0.00 O ATOM 0 H GLY A 86 -2.882 19.479 0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.223 20.422 -0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.186 19.649 -1.539 1.00 0.00 H new ATOM 1367 N MET A 87 -4.868 17.356 -0.908 1.00 0.00 N ATOM 1368 CA MET A 87 -5.307 16.004 -0.583 1.00 0.00 C ATOM 1369 C MET A 87 -4.560 14.973 -1.424 1.00 0.00 C ATOM 1370 O MET A 87 -4.526 15.067 -2.651 1.00 0.00 O ATOM 1371 CB MET A 87 -6.814 15.867 -0.806 1.00 0.00 C ATOM 1372 CG MET A 87 -7.396 14.578 -0.249 1.00 0.00 C ATOM 1373 SD MET A 87 -7.879 14.725 1.482 1.00 0.00 S ATOM 1374 CE MET A 87 -6.955 13.372 2.207 1.00 0.00 C ATOM 0 H MET A 87 -4.540 17.474 -1.867 1.00 0.00 H new ATOM 0 HA MET A 87 -5.085 15.819 0.468 1.00 0.00 H new ATOM 0 HB2 MET A 87 -7.320 16.714 -0.343 1.00 0.00 H new ATOM 0 HB3 MET A 87 -7.021 15.917 -1.875 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.265 14.290 -0.841 1.00 0.00 H new ATOM 0 HG3 MET A 87 -6.662 13.779 -0.351 1.00 0.00 H new ATOM 0 HE1 MET A 87 -7.429 13.066 3.140 1.00 0.00 H new ATOM 0 HE2 MET A 87 -6.939 12.530 1.515 1.00 0.00 H new ATOM 0 HE3 MET A 87 -5.934 13.695 2.408 1.00 0.00 H new ATOM 1384 N SER A 88 -3.964 13.991 -0.756 1.00 0.00 N ATOM 1385 CA SER A 88 -3.215 12.945 -1.442 1.00 0.00 C ATOM 1386 C SER A 88 -3.945 11.608 -1.355 1.00 0.00 C ATOM 1387 O SER A 88 -3.816 10.882 -0.371 1.00 0.00 O ATOM 1388 CB SER A 88 -1.814 12.814 -0.840 1.00 0.00 C ATOM 1389 OG SER A 88 -0.931 13.776 -1.390 1.00 0.00 O ATOM 0 H SER A 88 -3.985 13.898 0.260 1.00 0.00 H new ATOM 0 HA SER A 88 -3.127 13.224 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.866 12.940 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.427 11.812 -1.026 1.00 0.00 H new ATOM 0 HG SER A 88 -0.043 13.673 -0.988 1.00 0.00 H new ATOM 1395 N GLU A 89 -4.711 11.292 -2.395 1.00 0.00 N ATOM 1396 CA GLU A 89 -5.463 10.043 -2.436 1.00 0.00 C ATOM 1397 C GLU A 89 -4.900 9.105 -3.500 1.00 0.00 C ATOM 1398 O GLU A 89 -4.981 9.386 -4.696 1.00 0.00 O ATOM 1399 CB GLU A 89 -6.941 10.321 -2.715 1.00 0.00 C ATOM 1400 CG GLU A 89 -7.815 9.079 -2.660 1.00 0.00 C ATOM 1401 CD GLU A 89 -9.281 9.386 -2.897 1.00 0.00 C ATOM 1402 OE1 GLU A 89 -9.592 10.061 -3.900 1.00 0.00 O ATOM 1403 OE2 GLU A 89 -10.117 8.951 -2.077 1.00 0.00 O ATOM 0 H GLU A 89 -4.827 11.882 -3.219 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.370 9.559 -1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.309 11.046 -1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.036 10.779 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.472 8.364 -3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.700 8.601 -1.687 1.00 0.00 H new ATOM 1410 N ILE A 90 -4.331 7.989 -3.055 1.00 0.00 N ATOM 1411 CA ILE A 90 -3.756 7.010 -3.969 1.00 0.00 C ATOM 1412 C ILE A 90 -4.534 5.699 -3.929 1.00 0.00 C ATOM 1413 O ILE A 90 -5.032 5.292 -2.880 1.00 0.00 O ATOM 1414 CB ILE A 90 -2.279 6.727 -3.634 1.00 0.00 C ATOM 1415 CG1 ILE A 90 -1.402 7.905 -4.064 1.00 0.00 C ATOM 1416 CG2 ILE A 90 -1.819 5.444 -4.309 1.00 0.00 C ATOM 1417 CD1 ILE A 90 -1.330 9.012 -3.035 1.00 0.00 C ATOM 0 H ILE A 90 -4.256 7.741 -2.068 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.818 7.437 -4.970 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.184 6.601 -2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.394 7.542 -4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.788 8.313 -4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.774 5.258 -4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.428 4.610 -3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.925 5.543 -5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.692 9.813 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.331 9.402 -2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.916 8.619 -2.107 1.00 0.00 H new ATOM 1429 N TYR A 91 -4.632 5.041 -5.079 1.00 0.00 N ATOM 1430 CA TYR A 91 -5.350 3.775 -5.177 1.00 0.00 C ATOM 1431 C TYR A 91 -4.391 2.627 -5.474 1.00 0.00 C ATOM 1432 O TYR A 91 -3.674 2.643 -6.476 1.00 0.00 O ATOM 1433 CB TYR A 91 -6.420 3.855 -6.267 1.00 0.00 C ATOM 1434 CG TYR A 91 -7.551 4.803 -5.936 1.00 0.00 C ATOM 1435 CD1 TYR A 91 -8.350 4.600 -4.818 1.00 0.00 C ATOM 1436 CD2 TYR A 91 -7.821 5.902 -6.743 1.00 0.00 C ATOM 1437 CE1 TYR A 91 -9.384 5.463 -4.512 1.00 0.00 C ATOM 1438 CE2 TYR A 91 -8.852 6.771 -6.444 1.00 0.00 C ATOM 1439 CZ TYR A 91 -9.631 6.547 -5.328 1.00 0.00 C ATOM 1440 OH TYR A 91 -10.661 7.410 -5.028 1.00 0.00 O ATOM 0 H TYR A 91 -4.223 5.363 -5.956 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.831 3.584 -4.218 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.953 4.171 -7.200 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.829 2.859 -6.436 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.159 3.752 -4.177 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.214 6.079 -7.619 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.996 5.290 -3.639 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.047 7.621 -7.081 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.699 8.121 -5.702 1.00 0.00 H new ATOM 1450 N LEU A 92 -4.383 1.630 -4.596 1.00 0.00 N ATOM 1451 CA LEU A 92 -3.512 0.471 -4.763 1.00 0.00 C ATOM 1452 C LEU A 92 -4.331 -0.807 -4.919 1.00 0.00 C ATOM 1453 O LEU A 92 -5.050 -1.211 -4.005 1.00 0.00 O ATOM 1454 CB LEU A 92 -2.568 0.341 -3.567 1.00 0.00 C ATOM 1455 CG LEU A 92 -1.784 1.600 -3.191 1.00 0.00 C ATOM 1456 CD1 LEU A 92 -0.864 1.323 -2.013 1.00 0.00 C ATOM 1457 CD2 LEU A 92 -0.988 2.108 -4.384 1.00 0.00 C ATOM 0 H LEU A 92 -4.969 1.600 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.923 0.617 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.152 0.028 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.856 -0.457 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.494 2.373 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.314 2.230 -1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.457 1.006 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.160 0.534 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.437 3.004 -4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.287 1.338 -4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.669 2.346 -5.201 1.00 0.00 H new ATOM 1469 N ARG A 93 -4.215 -1.439 -6.082 1.00 0.00 N ATOM 1470 CA ARG A 93 -4.944 -2.672 -6.358 1.00 0.00 C ATOM 1471 C ARG A 93 -3.990 -3.859 -6.446 1.00 0.00 C ATOM 1472 O ARG A 93 -3.269 -4.017 -7.432 1.00 0.00 O ATOM 1473 CB ARG A 93 -5.735 -2.541 -7.661 1.00 0.00 C ATOM 1474 CG ARG A 93 -6.582 -3.761 -7.984 1.00 0.00 C ATOM 1475 CD ARG A 93 -6.796 -3.910 -9.482 1.00 0.00 C ATOM 1476 NE ARG A 93 -7.290 -5.238 -9.835 1.00 0.00 N ATOM 1477 CZ ARG A 93 -7.563 -5.614 -11.080 1.00 0.00 C ATOM 1478 NH1 ARG A 93 -7.390 -4.766 -12.085 1.00 0.00 N ATOM 1479 NH2 ARG A 93 -8.009 -6.840 -11.321 1.00 0.00 N ATOM 0 H ARG A 93 -3.623 -1.118 -6.848 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.638 -2.846 -5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.382 -1.666 -7.597 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.040 -2.364 -8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.097 -4.656 -7.594 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.547 -3.678 -7.484 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.506 -3.157 -9.823 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -5.857 -3.722 -10.003 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.433 -5.914 -9.085 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.047 -3.823 -11.903 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.600 -5.057 -13.040 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.143 -7.495 -10.550 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -8.218 -7.128 -12.277 1.00 0.00 H new ATOM 1493 N CYS A 94 -3.990 -4.690 -5.409 1.00 0.00 N ATOM 1494 CA CYS A 94 -3.124 -5.863 -5.369 1.00 0.00 C ATOM 1495 C CYS A 94 -3.621 -6.939 -6.328 1.00 0.00 C ATOM 1496 O CYS A 94 -4.784 -6.935 -6.732 1.00 0.00 O ATOM 1497 CB CYS A 94 -3.054 -6.422 -3.947 1.00 0.00 C ATOM 1498 SG CYS A 94 -2.366 -5.271 -2.734 1.00 0.00 S ATOM 0 H CYS A 94 -4.580 -4.573 -4.585 1.00 0.00 H new ATOM 0 HA CYS A 94 -2.125 -5.558 -5.681 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -4.057 -6.709 -3.631 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -2.450 -7.329 -3.954 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.303 -5.791 -2.197 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.732 -7.859 -6.690 1.00 0.00 N ATOM 1505 CA GLN A 95 -3.080 -8.940 -7.604 1.00 0.00 C ATOM 1506 C GLN A 95 -3.755 -10.086 -6.858 1.00 0.00 C ATOM 1507 O GLN A 95 -4.807 -10.575 -7.272 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.831 -9.450 -8.324 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.813 -10.092 -7.395 1.00 0.00 C ATOM 1510 CD GLN A 95 0.574 -10.157 -8.005 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.820 -10.924 -8.936 1.00 0.00 O ATOM 1512 NE2 GLN A 95 1.489 -9.350 -7.482 1.00 0.00 N ATOM 0 H GLN A 95 -1.766 -7.877 -6.364 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.780 -8.548 -8.341 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.129 -10.176 -9.081 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.359 -8.619 -8.848 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.770 -9.528 -6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.142 -11.100 -7.142 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.241 -8.730 -6.711 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.440 -9.350 -7.851 1.00 0.00 H new ATOM 1521 N ASP A 96 -3.144 -10.511 -5.758 1.00 0.00 N ATOM 1522 CA ASP A 96 -3.686 -11.601 -4.954 1.00 0.00 C ATOM 1523 C ASP A 96 -3.746 -11.211 -3.481 1.00 0.00 C ATOM 1524 O ASP A 96 -3.100 -10.253 -3.056 1.00 0.00 O ATOM 1525 CB ASP A 96 -2.839 -12.862 -5.127 1.00 0.00 C ATOM 1526 CG ASP A 96 -3.625 -14.129 -4.856 1.00 0.00 C ATOM 1527 OD1 ASP A 96 -3.697 -14.542 -3.680 1.00 0.00 O ATOM 1528 OD2 ASP A 96 -4.167 -14.710 -5.820 1.00 0.00 O ATOM 0 H ASP A 96 -2.273 -10.118 -5.402 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.700 -11.805 -5.299 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -2.443 -12.894 -6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -1.984 -12.817 -4.453 1.00 0.00 H new ATOM 1533 N GLU A 97 -4.525 -11.959 -2.706 1.00 0.00 N ATOM 1534 CA GLU A 97 -4.670 -11.690 -1.281 1.00 0.00 C ATOM 1535 C GLU A 97 -3.318 -11.752 -0.576 1.00 0.00 C ATOM 1536 O GLU A 97 -3.101 -11.078 0.431 1.00 0.00 O ATOM 1537 CB GLU A 97 -5.635 -12.692 -0.645 1.00 0.00 C ATOM 1538 CG GLU A 97 -5.110 -14.118 -0.630 1.00 0.00 C ATOM 1539 CD GLU A 97 -6.206 -15.141 -0.404 1.00 0.00 C ATOM 1540 OE1 GLU A 97 -6.987 -15.391 -1.346 1.00 0.00 O ATOM 1541 OE2 GLU A 97 -6.282 -15.692 0.714 1.00 0.00 O ATOM 0 H GLU A 97 -5.065 -12.756 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.075 -10.685 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.846 -12.381 0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.580 -12.668 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.612 -14.328 -1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.359 -14.216 0.154 1.00 0.00 H new ATOM 1548 N GLN A 98 -2.414 -12.565 -1.112 1.00 0.00 N ATOM 1549 CA GLN A 98 -1.084 -12.716 -0.534 1.00 0.00 C ATOM 1550 C GLN A 98 -0.404 -11.360 -0.371 1.00 0.00 C ATOM 1551 O GLN A 98 -0.038 -10.969 0.737 1.00 0.00 O ATOM 1552 CB GLN A 98 -0.224 -13.628 -1.410 1.00 0.00 C ATOM 1553 CG GLN A 98 -0.784 -15.033 -1.558 1.00 0.00 C ATOM 1554 CD GLN A 98 -0.675 -15.843 -0.281 1.00 0.00 C ATOM 1555 OE1 GLN A 98 0.321 -15.760 0.437 1.00 0.00 O ATOM 1556 NE2 GLN A 98 -1.704 -16.631 0.010 1.00 0.00 N ATOM 0 H GLN A 98 -2.578 -13.129 -1.946 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.194 -13.169 0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.124 -13.180 -2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.778 -13.688 -0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.830 -14.973 -1.857 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.253 -15.549 -2.358 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.510 -16.669 -0.614 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.688 -17.198 0.858 1.00 0.00 H new ATOM 1565 N GLN A 99 -0.239 -10.649 -1.481 1.00 0.00 N ATOM 1566 CA GLN A 99 0.397 -9.337 -1.460 1.00 0.00 C ATOM 1567 C GLN A 99 -0.425 -8.346 -0.644 1.00 0.00 C ATOM 1568 O GLN A 99 0.123 -7.542 0.111 1.00 0.00 O ATOM 1569 CB GLN A 99 0.582 -8.813 -2.885 1.00 0.00 C ATOM 1570 CG GLN A 99 1.285 -7.467 -2.953 1.00 0.00 C ATOM 1571 CD GLN A 99 2.787 -7.585 -2.785 1.00 0.00 C ATOM 1572 OE1 GLN A 99 3.273 -8.382 -1.981 1.00 0.00 O ATOM 1573 NE2 GLN A 99 3.532 -6.790 -3.544 1.00 0.00 N ATOM 0 H GLN A 99 -0.537 -10.959 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 99 1.375 -9.443 -0.990 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.154 -9.542 -3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.395 -8.728 -3.361 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.066 -6.995 -3.911 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.886 -6.813 -2.177 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.087 -6.145 -4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.549 -6.825 -3.474 1.00 0.00 H new ATOM 1582 N TYR A 100 -1.743 -8.408 -0.800 1.00 0.00 N ATOM 1583 CA TYR A 100 -2.641 -7.513 -0.080 1.00 0.00 C ATOM 1584 C TYR A 100 -2.390 -7.583 1.423 1.00 0.00 C ATOM 1585 O TYR A 100 -2.014 -6.592 2.048 1.00 0.00 O ATOM 1586 CB TYR A 100 -4.098 -7.868 -0.381 1.00 0.00 C ATOM 1587 CG TYR A 100 -5.065 -7.419 0.691 1.00 0.00 C ATOM 1588 CD1 TYR A 100 -5.413 -6.081 0.825 1.00 0.00 C ATOM 1589 CD2 TYR A 100 -5.632 -8.334 1.570 1.00 0.00 C ATOM 1590 CE1 TYR A 100 -6.295 -5.666 1.803 1.00 0.00 C ATOM 1591 CE2 TYR A 100 -6.517 -7.929 2.550 1.00 0.00 C ATOM 1592 CZ TYR A 100 -6.845 -6.594 2.663 1.00 0.00 C ATOM 1593 OH TYR A 100 -7.725 -6.185 3.639 1.00 0.00 O ATOM 0 H TYR A 100 -2.213 -9.069 -1.419 1.00 0.00 H new ATOM 0 HA TYR A 100 -2.445 -6.495 -0.416 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -4.385 -7.415 -1.330 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -4.182 -8.948 -0.505 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.986 -5.352 0.152 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -5.376 -9.380 1.485 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -6.553 -4.621 1.894 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -6.950 -8.653 3.224 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.033 -5.276 3.442 1.00 0.00 H new ATOM 1603 N ALA A 101 -2.599 -8.763 1.997 1.00 0.00 N ATOM 1604 CA ALA A 101 -2.393 -8.965 3.426 1.00 0.00 C ATOM 1605 C ALA A 101 -1.068 -8.361 3.880 1.00 0.00 C ATOM 1606 O ALA A 101 -1.026 -7.576 4.827 1.00 0.00 O ATOM 1607 CB ALA A 101 -2.441 -10.448 3.762 1.00 0.00 C ATOM 0 H ALA A 101 -2.911 -9.594 1.494 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.196 -8.457 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.286 -10.584 4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.413 -10.853 3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.658 -10.971 3.213 1.00 0.00 H new ATOM 1613 N ARG A 102 0.011 -8.733 3.200 1.00 0.00 N ATOM 1614 CA ARG A 102 1.337 -8.229 3.535 1.00 0.00 C ATOM 1615 C ARG A 102 1.330 -6.706 3.636 1.00 0.00 C ATOM 1616 O ARG A 102 1.511 -6.146 4.717 1.00 0.00 O ATOM 1617 CB ARG A 102 2.356 -8.677 2.486 1.00 0.00 C ATOM 1618 CG ARG A 102 2.688 -10.159 2.552 1.00 0.00 C ATOM 1619 CD ARG A 102 3.143 -10.689 1.202 1.00 0.00 C ATOM 1620 NE ARG A 102 3.269 -12.144 1.199 1.00 0.00 N ATOM 1621 CZ ARG A 102 3.722 -12.840 0.163 1.00 0.00 C ATOM 1622 NH1 ARG A 102 4.090 -12.218 -0.948 1.00 0.00 N ATOM 1623 NH2 ARG A 102 3.808 -14.162 0.237 1.00 0.00 N ATOM 0 H ARG A 102 -0.007 -9.382 2.413 1.00 0.00 H new ATOM 0 HA ARG A 102 1.620 -8.639 4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.970 -8.444 1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.273 -8.102 2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.471 -10.325 3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.812 -10.715 2.886 1.00 0.00 H new ATOM 0 HD2 ARG A 102 2.431 -10.385 0.435 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.102 -10.242 0.942 1.00 0.00 H new ATOM 0 HE ARG A 102 2.994 -12.653 2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.026 -11.202 -1.009 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.438 -12.755 -1.742 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.526 -14.644 1.090 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.156 -14.696 -0.559 1.00 0.00 H new ATOM 1637 N TRP A 103 1.122 -6.045 2.503 1.00 0.00 N ATOM 1638 CA TRP A 103 1.093 -4.587 2.464 1.00 0.00 C ATOM 1639 C TRP A 103 0.061 -4.037 3.443 1.00 0.00 C ATOM 1640 O TRP A 103 0.407 -3.348 4.402 1.00 0.00 O ATOM 1641 CB TRP A 103 0.781 -4.101 1.048 1.00 0.00 C ATOM 1642 CG TRP A 103 1.983 -4.069 0.153 1.00 0.00 C ATOM 1643 CD1 TRP A 103 2.519 -5.118 -0.537 1.00 0.00 C ATOM 1644 CD2 TRP A 103 2.798 -2.931 -0.147 1.00 0.00 C ATOM 1645 NE1 TRP A 103 3.619 -4.701 -1.247 1.00 0.00 N ATOM 1646 CE2 TRP A 103 3.810 -3.363 -1.026 1.00 0.00 C ATOM 1647 CE3 TRP A 103 2.770 -1.588 0.240 1.00 0.00 C ATOM 1648 CZ2 TRP A 103 4.784 -2.500 -1.521 1.00 0.00 C ATOM 1649 CZ3 TRP A 103 3.738 -0.733 -0.253 1.00 0.00 C ATOM 1650 CH2 TRP A 103 4.733 -1.191 -1.126 1.00 0.00 C ATOM 0 H TRP A 103 0.971 -6.495 1.600 1.00 0.00 H new ATOM 0 HA TRP A 103 2.076 -4.220 2.758 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.025 -4.751 0.607 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.350 -3.101 1.101 1.00 0.00 H new ATOM 0 HD1 TRP A 103 2.135 -6.127 -0.526 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.199 -5.292 -1.842 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.006 -1.225 0.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 5.553 -2.851 -2.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 3.727 0.306 0.040 1.00 0.00 H new ATOM 0 HH2 TRP A 103 5.474 -0.497 -1.494 1.00 0.00 H new ATOM 1661 N MET A 104 -1.207 -4.346 3.195 1.00 0.00 N ATOM 1662 CA MET A 104 -2.289 -3.883 4.056 1.00 0.00 C ATOM 1663 C MET A 104 -1.845 -3.847 5.515 1.00 0.00 C ATOM 1664 O MET A 104 -1.694 -2.776 6.101 1.00 0.00 O ATOM 1665 CB MET A 104 -3.513 -4.789 3.905 1.00 0.00 C ATOM 1666 CG MET A 104 -4.525 -4.635 5.029 1.00 0.00 C ATOM 1667 SD MET A 104 -4.988 -2.917 5.317 1.00 0.00 S ATOM 1668 CE MET A 104 -6.161 -2.655 3.990 1.00 0.00 C ATOM 0 H MET A 104 -1.511 -4.915 2.405 1.00 0.00 H new ATOM 0 HA MET A 104 -2.555 -2.871 3.751 1.00 0.00 H new ATOM 0 HB2 MET A 104 -4.001 -4.571 2.955 1.00 0.00 H new ATOM 0 HB3 MET A 104 -3.184 -5.827 3.863 1.00 0.00 H new ATOM 0 HG2 MET A 104 -5.418 -5.213 4.790 1.00 0.00 H new ATOM 0 HG3 MET A 104 -4.110 -5.054 5.946 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.630 -1.678 4.107 1.00 0.00 H new ATOM 0 HE2 MET A 104 -5.642 -2.696 3.032 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.926 -3.431 4.022 1.00 0.00 H new ATOM 1678 N ALA A 105 -1.638 -5.025 6.095 1.00 0.00 N ATOM 1679 CA ALA A 105 -1.210 -5.128 7.484 1.00 0.00 C ATOM 1680 C ALA A 105 -0.179 -4.056 7.822 1.00 0.00 C ATOM 1681 O ALA A 105 -0.188 -3.495 8.917 1.00 0.00 O ATOM 1682 CB ALA A 105 -0.644 -6.513 7.762 1.00 0.00 C ATOM 0 H ALA A 105 -1.760 -5.921 5.624 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.082 -4.970 8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -0.328 -6.575 8.804 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.410 -7.264 7.570 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.212 -6.693 7.112 1.00 0.00 H new ATOM 1688 N GLY A 106 0.709 -3.775 6.872 1.00 0.00 N ATOM 1689 CA GLY A 106 1.734 -2.772 7.089 1.00 0.00 C ATOM 1690 C GLY A 106 1.154 -1.395 7.345 1.00 0.00 C ATOM 1691 O GLY A 106 1.502 -0.740 8.328 1.00 0.00 O ATOM 0 H GLY A 106 0.736 -4.224 5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.352 -3.066 7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.388 -2.731 6.218 1.00 0.00 H new ATOM 1695 N CYS A 107 0.268 -0.955 6.458 1.00 0.00 N ATOM 1696 CA CYS A 107 -0.360 0.355 6.591 1.00 0.00 C ATOM 1697 C CYS A 107 -1.096 0.472 7.922 1.00 0.00 C ATOM 1698 O CYS A 107 -0.911 1.439 8.661 1.00 0.00 O ATOM 1699 CB CYS A 107 -1.331 0.597 5.434 1.00 0.00 C ATOM 1700 SG CYS A 107 -0.536 0.709 3.814 1.00 0.00 S ATOM 0 H CYS A 107 -0.031 -1.486 5.640 1.00 0.00 H new ATOM 0 HA CYS A 107 0.424 1.112 6.562 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -2.062 -0.211 5.413 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -1.880 1.520 5.622 1.00 0.00 H new ATOM 0 HG CYS A 107 -1.439 0.912 2.901 1.00 0.00 H new ATOM 1706 N ARG A 108 -1.932 -0.517 8.219 1.00 0.00 N ATOM 1707 CA ARG A 108 -2.699 -0.523 9.459 1.00 0.00 C ATOM 1708 C ARG A 108 -1.781 -0.355 10.666 1.00 0.00 C ATOM 1709 O ARG A 108 -2.114 0.351 11.619 1.00 0.00 O ATOM 1710 CB ARG A 108 -3.492 -1.825 9.587 1.00 0.00 C ATOM 1711 CG ARG A 108 -4.739 -1.865 8.718 1.00 0.00 C ATOM 1712 CD ARG A 108 -5.131 -3.293 8.372 1.00 0.00 C ATOM 1713 NE ARG A 108 -5.369 -4.100 9.566 1.00 0.00 N ATOM 1714 CZ ARG A 108 -6.458 -3.994 10.319 1.00 0.00 C ATOM 1715 NH1 ARG A 108 -7.404 -3.121 10.003 1.00 0.00 N ATOM 1716 NH2 ARG A 108 -6.603 -4.764 11.390 1.00 0.00 N ATOM 0 H ARG A 108 -2.096 -1.325 7.618 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.393 0.317 9.431 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.846 -2.662 9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.780 -1.964 10.629 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.563 -1.376 9.239 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.563 -1.302 7.801 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.030 -3.283 7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.342 -3.751 7.776 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.660 -4.782 9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.297 -2.528 9.180 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.239 -3.042 10.583 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.878 -5.438 11.636 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.440 -4.682 11.968 1.00 0.00 H new ATOM 1730 N LEU A 109 -0.625 -1.007 10.619 1.00 0.00 N ATOM 1731 CA LEU A 109 0.342 -0.931 11.709 1.00 0.00 C ATOM 1732 C LEU A 109 0.941 0.469 11.809 1.00 0.00 C ATOM 1733 O LEU A 109 1.032 1.040 12.895 1.00 0.00 O ATOM 1734 CB LEU A 109 1.455 -1.960 11.504 1.00 0.00 C ATOM 1735 CG LEU A 109 1.062 -3.423 11.708 1.00 0.00 C ATOM 1736 CD1 LEU A 109 1.982 -4.339 10.916 1.00 0.00 C ATOM 1737 CD2 LEU A 109 1.093 -3.783 13.187 1.00 0.00 C ATOM 0 H LEU A 109 -0.334 -1.595 9.838 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.180 -1.151 12.640 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.845 -1.847 10.492 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.270 -1.725 12.188 1.00 0.00 H new ATOM 0 HG LEU A 109 0.044 -3.559 11.342 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.687 -5.376 11.074 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.910 -4.099 9.855 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.010 -4.200 11.250 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.810 -4.828 13.313 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.099 -3.629 13.578 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.392 -3.150 13.730 1.00 0.00 H new ATOM 1749 N ALA A 110 1.344 1.017 10.667 1.00 0.00 N ATOM 1750 CA ALA A 110 1.930 2.351 10.625 1.00 0.00 C ATOM 1751 C ALA A 110 0.887 3.418 10.938 1.00 0.00 C ATOM 1752 O ALA A 110 1.226 4.547 11.291 1.00 0.00 O ATOM 1753 CB ALA A 110 2.559 2.608 9.264 1.00 0.00 C ATOM 0 H ALA A 110 1.275 0.558 9.759 1.00 0.00 H new ATOM 0 HA ALA A 110 2.707 2.405 11.388 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.993 3.608 9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.340 1.870 9.079 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.796 2.530 8.490 1.00 0.00 H new ATOM 1759 N SER A 111 -0.385 3.053 10.805 1.00 0.00 N ATOM 1760 CA SER A 111 -1.478 3.982 11.069 1.00 0.00 C ATOM 1761 C SER A 111 -1.531 4.351 12.549 1.00 0.00 C ATOM 1762 O SER A 111 -1.810 5.496 12.906 1.00 0.00 O ATOM 1763 CB SER A 111 -2.811 3.369 10.637 1.00 0.00 C ATOM 1764 OG SER A 111 -3.889 3.921 11.373 1.00 0.00 O ATOM 0 H SER A 111 -0.684 2.121 10.516 1.00 0.00 H new ATOM 0 HA SER A 111 -1.299 4.889 10.492 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.967 3.543 9.572 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.782 2.289 10.783 1.00 0.00 H new ATOM 0 HG SER A 111 -4.730 3.514 11.077 1.00 0.00 H new ATOM 1770 N LYS A 112 -1.262 3.372 13.406 1.00 0.00 N ATOM 1771 CA LYS A 112 -1.277 3.592 14.848 1.00 0.00 C ATOM 1772 C LYS A 112 0.142 3.719 15.394 1.00 0.00 C ATOM 1773 O LYS A 112 0.353 3.717 16.606 1.00 0.00 O ATOM 1774 CB LYS A 112 -2.005 2.444 15.551 1.00 0.00 C ATOM 1775 CG LYS A 112 -3.378 2.149 14.973 1.00 0.00 C ATOM 1776 CD LYS A 112 -4.459 2.968 15.659 1.00 0.00 C ATOM 1777 CE LYS A 112 -5.849 2.546 15.207 1.00 0.00 C ATOM 1778 NZ LYS A 112 -6.915 3.339 15.879 1.00 0.00 N ATOM 0 H LYS A 112 -1.031 2.418 13.127 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.807 4.524 15.043 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.393 1.544 15.488 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.110 2.685 16.609 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.378 2.366 13.905 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.600 1.087 15.083 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.375 2.851 16.739 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.310 4.025 15.441 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -5.932 2.667 14.127 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -5.995 1.487 15.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.847 3.021 15.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.852 3.203 16.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.792 4.347 15.654 1.00 0.00 H new ATOM 1792 N GLY A 113 1.111 3.831 14.491 1.00 0.00 N ATOM 1793 CA GLY A 113 2.497 3.959 14.902 1.00 0.00 C ATOM 1794 C GLY A 113 3.244 2.642 14.839 1.00 0.00 C ATOM 1795 O GLY A 113 4.445 2.614 14.566 1.00 0.00 O ATOM 0 H GLY A 113 0.961 3.835 13.482 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.996 4.687 14.263 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.537 4.347 15.920 1.00 0.00 H new ATOM 1799 N ARG A 114 2.534 1.548 15.094 1.00 0.00 N ATOM 1800 CA ARG A 114 3.139 0.221 15.068 1.00 0.00 C ATOM 1801 C ARG A 114 3.902 -0.003 13.765 1.00 0.00 C ATOM 1802 O ARG A 114 3.539 0.538 12.719 1.00 0.00 O ATOM 1803 CB ARG A 114 2.065 -0.855 15.235 1.00 0.00 C ATOM 1804 CG ARG A 114 1.294 -0.749 16.540 1.00 0.00 C ATOM 1805 CD ARG A 114 0.332 -1.914 16.715 1.00 0.00 C ATOM 1806 NE ARG A 114 -0.657 -1.655 17.757 1.00 0.00 N ATOM 1807 CZ ARG A 114 -1.692 -2.450 18.002 1.00 0.00 C ATOM 1808 NH1 ARG A 114 -1.872 -3.550 17.283 1.00 0.00 N ATOM 1809 NH2 ARG A 114 -2.550 -2.147 18.968 1.00 0.00 N ATOM 0 H ARG A 114 1.540 1.554 15.321 1.00 0.00 H new ATOM 0 HA ARG A 114 3.843 0.153 15.897 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.364 -0.789 14.403 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.535 -1.837 15.179 1.00 0.00 H new ATOM 0 HG2 ARG A 114 1.993 -0.724 17.376 1.00 0.00 H new ATOM 0 HG3 ARG A 114 0.739 0.189 16.561 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -0.178 -2.108 15.771 1.00 0.00 H new ATOM 0 HD3 ARG A 114 0.894 -2.814 16.964 1.00 0.00 H new ATOM 0 HE ARG A 114 -0.547 -0.817 18.328 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -1.215 -3.787 16.540 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -2.668 -4.159 17.473 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -2.415 -1.302 19.524 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -3.344 -2.759 19.155 1.00 0.00 H new ATOM 1823 N THR A 115 4.960 -0.804 13.835 1.00 0.00 N ATOM 1824 CA THR A 115 5.775 -1.099 12.663 1.00 0.00 C ATOM 1825 C THR A 115 5.797 -2.595 12.371 1.00 0.00 C ATOM 1826 O THR A 115 5.162 -3.383 13.072 1.00 0.00 O ATOM 1827 CB THR A 115 7.222 -0.602 12.845 1.00 0.00 C ATOM 1828 OG1 THR A 115 7.851 -1.308 13.920 1.00 0.00 O ATOM 1829 CG2 THR A 115 7.249 0.892 13.129 1.00 0.00 C ATOM 0 H THR A 115 5.273 -1.261 14.692 1.00 0.00 H new ATOM 0 HA THR A 115 5.321 -0.574 11.823 1.00 0.00 H new ATOM 0 HB THR A 115 7.766 -0.790 11.920 1.00 0.00 H new ATOM 0 HG1 THR A 115 8.771 -0.987 14.028 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.281 1.220 13.254 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.796 1.429 12.296 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.690 1.099 14.041 1.00 0.00 H new ATOM 1837 N MET A 116 6.531 -2.979 11.332 1.00 0.00 N ATOM 1838 CA MET A 116 6.636 -4.382 10.949 1.00 0.00 C ATOM 1839 C MET A 116 7.573 -5.134 11.889 1.00 0.00 C ATOM 1840 O MET A 116 7.451 -6.346 12.063 1.00 0.00 O ATOM 1841 CB MET A 116 7.136 -4.503 9.508 1.00 0.00 C ATOM 1842 CG MET A 116 6.044 -4.312 8.468 1.00 0.00 C ATOM 1843 SD MET A 116 6.460 -5.057 6.879 1.00 0.00 S ATOM 1844 CE MET A 116 7.550 -3.810 6.196 1.00 0.00 C ATOM 0 H MET A 116 7.061 -2.339 10.741 1.00 0.00 H new ATOM 0 HA MET A 116 5.644 -4.827 11.021 1.00 0.00 H new ATOM 0 HB2 MET A 116 7.919 -3.764 9.341 1.00 0.00 H new ATOM 0 HB3 MET A 116 7.590 -5.485 9.371 1.00 0.00 H new ATOM 0 HG2 MET A 116 5.116 -4.748 8.837 1.00 0.00 H new ATOM 0 HG3 MET A 116 5.863 -3.246 8.329 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.334 -3.679 5.136 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.394 -2.866 6.718 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.586 -4.126 6.319 1.00 0.00 H new ATOM 1854 N ALA A 117 8.507 -4.406 12.492 1.00 0.00 N ATOM 1855 CA ALA A 117 9.463 -5.005 13.416 1.00 0.00 C ATOM 1856 C ALA A 117 8.750 -5.778 14.520 1.00 0.00 C ATOM 1857 O ALA A 117 9.281 -6.755 15.049 1.00 0.00 O ATOM 1858 CB ALA A 117 10.360 -3.932 14.015 1.00 0.00 C ATOM 0 H ALA A 117 8.622 -3.401 12.358 1.00 0.00 H new ATOM 0 HA ALA A 117 10.080 -5.709 12.857 1.00 0.00 H new ATOM 0 HB1 ALA A 117 11.069 -4.393 14.703 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.905 -3.426 13.218 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.750 -3.207 14.554 1.00 0.00 H new ATOM 1864 N ASP A 118 7.545 -5.335 14.862 1.00 0.00 N ATOM 1865 CA ASP A 118 6.759 -5.987 15.903 1.00 0.00 C ATOM 1866 C ASP A 118 6.287 -7.364 15.447 1.00 0.00 C ATOM 1867 O ASP A 118 6.245 -7.652 14.251 1.00 0.00 O ATOM 1868 CB ASP A 118 5.555 -5.121 16.280 1.00 0.00 C ATOM 1869 CG ASP A 118 4.857 -5.613 17.532 1.00 0.00 C ATOM 1870 OD1 ASP A 118 5.559 -6.010 18.486 1.00 0.00 O ATOM 1871 OD2 ASP A 118 3.609 -5.602 17.559 1.00 0.00 O ATOM 0 H ASP A 118 7.092 -4.528 14.434 1.00 0.00 H new ATOM 0 HA ASP A 118 7.396 -6.113 16.779 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.884 -4.093 16.431 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.846 -5.110 15.453 1.00 0.00 H new ATOM 1876 N SER A 119 5.935 -8.212 16.408 1.00 0.00 N ATOM 1877 CA SER A 119 5.472 -9.561 16.105 1.00 0.00 C ATOM 1878 C SER A 119 3.998 -9.553 15.709 1.00 0.00 C ATOM 1879 O SER A 119 3.467 -10.556 15.232 1.00 0.00 O ATOM 1880 CB SER A 119 5.682 -10.478 17.312 1.00 0.00 C ATOM 1881 OG SER A 119 6.965 -11.079 17.278 1.00 0.00 O ATOM 0 H SER A 119 5.962 -7.989 17.403 1.00 0.00 H new ATOM 0 HA SER A 119 6.055 -9.939 15.265 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.570 -9.905 18.232 1.00 0.00 H new ATOM 0 HB3 SER A 119 4.914 -11.252 17.323 1.00 0.00 H new ATOM 0 HG SER A 119 7.076 -11.659 18.060 1.00 0.00 H new ATOM 1887 N SER A 120 3.344 -8.414 15.911 1.00 0.00 N ATOM 1888 CA SER A 120 1.931 -8.275 15.579 1.00 0.00 C ATOM 1889 C SER A 120 1.734 -8.190 14.068 1.00 0.00 C ATOM 1890 O SER A 120 0.639 -8.434 13.559 1.00 0.00 O ATOM 1891 CB SER A 120 1.347 -7.031 16.251 1.00 0.00 C ATOM 1892 OG SER A 120 -0.067 -7.098 16.308 1.00 0.00 O ATOM 0 H SER A 120 3.770 -7.574 16.303 1.00 0.00 H new ATOM 0 HA SER A 120 1.408 -9.158 15.948 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.750 -6.935 17.259 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.650 -6.140 15.700 1.00 0.00 H new ATOM 0 HG SER A 120 -0.435 -7.026 15.402 1.00 0.00 H new ATOM 1898 N TYR A 121 2.800 -7.843 13.357 1.00 0.00 N ATOM 1899 CA TYR A 121 2.746 -7.723 11.905 1.00 0.00 C ATOM 1900 C TYR A 121 2.193 -8.997 11.274 1.00 0.00 C ATOM 1901 O TYR A 121 1.049 -9.034 10.819 1.00 0.00 O ATOM 1902 CB TYR A 121 4.137 -7.425 11.344 1.00 0.00 C ATOM 1903 CG TYR A 121 4.266 -7.706 9.864 1.00 0.00 C ATOM 1904 CD1 TYR A 121 3.563 -6.956 8.930 1.00 0.00 C ATOM 1905 CD2 TYR A 121 5.093 -8.722 9.400 1.00 0.00 C ATOM 1906 CE1 TYR A 121 3.677 -7.210 7.577 1.00 0.00 C ATOM 1907 CE2 TYR A 121 5.215 -8.983 8.049 1.00 0.00 C ATOM 1908 CZ TYR A 121 4.504 -8.224 7.142 1.00 0.00 C ATOM 1909 OH TYR A 121 4.622 -8.480 5.795 1.00 0.00 O ATOM 0 H TYR A 121 3.713 -7.640 13.763 1.00 0.00 H new ATOM 0 HA TYR A 121 2.078 -6.897 11.659 1.00 0.00 H new ATOM 0 HB2 TYR A 121 4.377 -6.378 11.529 1.00 0.00 H new ATOM 0 HB3 TYR A 121 4.873 -8.021 11.884 1.00 0.00 H new ATOM 0 HD1 TYR A 121 2.916 -6.160 9.268 1.00 0.00 H new ATOM 0 HD2 TYR A 121 5.650 -9.318 10.108 1.00 0.00 H new ATOM 0 HE1 TYR A 121 3.122 -6.618 6.864 1.00 0.00 H new ATOM 0 HE2 TYR A 121 5.863 -9.776 7.705 1.00 0.00 H new ATOM 0 HH TYR A 121 5.244 -9.225 5.657 1.00 0.00 H new ATOM 1919 N THR A 122 3.014 -10.043 11.251 1.00 0.00 N ATOM 1920 CA THR A 122 2.609 -11.319 10.676 1.00 0.00 C ATOM 1921 C THR A 122 1.264 -11.771 11.231 1.00 0.00 C ATOM 1922 O THR A 122 0.494 -12.446 10.548 1.00 0.00 O ATOM 1923 CB THR A 122 3.658 -12.415 10.946 1.00 0.00 C ATOM 1924 OG1 THR A 122 3.539 -13.458 9.973 1.00 0.00 O ATOM 1925 CG2 THR A 122 3.486 -12.995 12.342 1.00 0.00 C ATOM 0 H THR A 122 3.963 -10.031 11.624 1.00 0.00 H new ATOM 0 HA THR A 122 2.522 -11.167 9.600 1.00 0.00 H new ATOM 0 HB THR A 122 4.648 -11.965 10.875 1.00 0.00 H new ATOM 0 HG1 THR A 122 4.210 -14.150 10.151 1.00 0.00 H new ATOM 0 HG21 THR A 122 4.237 -13.767 12.510 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.606 -12.204 13.082 1.00 0.00 H new ATOM 0 HG23 THR A 122 2.491 -13.431 12.435 1.00 0.00 H new ATOM 1933 N SER A 123 0.986 -11.395 12.476 1.00 0.00 N ATOM 1934 CA SER A 123 -0.266 -11.764 13.125 1.00 0.00 C ATOM 1935 C SER A 123 -1.463 -11.298 12.301 1.00 0.00 C ATOM 1936 O SER A 123 -2.525 -11.920 12.323 1.00 0.00 O ATOM 1937 CB SER A 123 -0.335 -11.162 14.529 1.00 0.00 C ATOM 1938 OG SER A 123 -1.102 -11.977 15.397 1.00 0.00 O ATOM 0 H SER A 123 1.612 -10.835 13.055 1.00 0.00 H new ATOM 0 HA SER A 123 -0.300 -12.851 13.202 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.673 -11.048 14.929 1.00 0.00 H new ATOM 0 HB3 SER A 123 -0.773 -10.165 14.479 1.00 0.00 H new ATOM 0 HG SER A 123 -1.129 -11.571 16.288 1.00 0.00 H new ATOM 1944 N GLU A 124 -1.282 -10.200 11.574 1.00 0.00 N ATOM 1945 CA GLU A 124 -2.347 -9.650 10.744 1.00 0.00 C ATOM 1946 C GLU A 124 -2.458 -10.411 9.426 1.00 0.00 C ATOM 1947 O GLU A 124 -3.557 -10.704 8.955 1.00 0.00 O ATOM 1948 CB GLU A 124 -2.096 -8.166 10.469 1.00 0.00 C ATOM 1949 CG GLU A 124 -2.659 -7.245 11.538 1.00 0.00 C ATOM 1950 CD GLU A 124 -2.116 -7.554 12.920 1.00 0.00 C ATOM 1951 OE1 GLU A 124 -2.637 -8.486 13.567 1.00 0.00 O ATOM 1952 OE2 GLU A 124 -1.170 -6.864 13.353 1.00 0.00 O ATOM 0 H GLU A 124 -0.408 -9.674 11.543 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.287 -9.757 11.286 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.022 -7.997 10.385 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.536 -7.904 9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -2.424 -6.212 11.282 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.746 -7.331 11.551 1.00 0.00 H new ATOM 1959 N VAL A 125 -1.310 -10.728 8.835 1.00 0.00 N ATOM 1960 CA VAL A 125 -1.276 -11.456 7.572 1.00 0.00 C ATOM 1961 C VAL A 125 -1.985 -12.800 7.692 1.00 0.00 C ATOM 1962 O VAL A 125 -2.690 -13.225 6.778 1.00 0.00 O ATOM 1963 CB VAL A 125 0.170 -11.691 7.098 1.00 0.00 C ATOM 1964 CG1 VAL A 125 0.184 -12.445 5.777 1.00 0.00 C ATOM 1965 CG2 VAL A 125 0.912 -10.369 6.974 1.00 0.00 C ATOM 0 H VAL A 125 -0.392 -10.492 9.211 1.00 0.00 H new ATOM 0 HA VAL A 125 -1.795 -10.840 6.838 1.00 0.00 H new ATOM 0 HB VAL A 125 0.682 -12.301 7.842 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.215 -12.602 5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.307 -13.410 5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.345 -11.865 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.932 -10.554 6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 125 0.402 -9.732 6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 125 0.934 -9.872 7.944 1.00 0.00 H new ATOM 1975 N GLN A 126 -1.792 -13.464 8.827 1.00 0.00 N ATOM 1976 CA GLN A 126 -2.413 -14.762 9.067 1.00 0.00 C ATOM 1977 C GLN A 126 -3.923 -14.620 9.232 1.00 0.00 C ATOM 1978 O GLN A 126 -4.697 -15.301 8.560 1.00 0.00 O ATOM 1979 CB GLN A 126 -1.812 -15.416 10.312 1.00 0.00 C ATOM 1980 CG GLN A 126 -0.293 -15.366 10.352 1.00 0.00 C ATOM 1981 CD GLN A 126 0.348 -16.573 9.696 1.00 0.00 C ATOM 1982 OE1 GLN A 126 -0.314 -17.579 9.439 1.00 0.00 O ATOM 1983 NE2 GLN A 126 1.644 -16.480 9.421 1.00 0.00 N ATOM 0 H GLN A 126 -1.211 -13.125 9.594 1.00 0.00 H new ATOM 0 HA GLN A 126 -2.218 -15.396 8.202 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.207 -14.921 11.199 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -2.134 -16.456 10.357 1.00 0.00 H new ATOM 0 HG2 GLN A 126 0.050 -14.460 9.852 1.00 0.00 H new ATOM 0 HG3 GLN A 126 0.037 -15.302 11.389 1.00 0.00 H new ATOM 0 HE21 GLN A 126 2.154 -15.627 9.651 1.00 0.00 H new ATOM 0 HE22 GLN A 126 2.129 -17.261 8.980 1.00 0.00 H new ATOM 1992 N ALA A 127 -4.335 -13.731 10.130 1.00 0.00 N ATOM 1993 CA ALA A 127 -5.752 -13.499 10.382 1.00 0.00 C ATOM 1994 C ALA A 127 -6.486 -13.139 9.095 1.00 0.00 C ATOM 1995 O ALA A 127 -7.622 -13.561 8.878 1.00 0.00 O ATOM 1996 CB ALA A 127 -5.931 -12.401 11.419 1.00 0.00 C ATOM 0 H ALA A 127 -3.707 -13.159 10.695 1.00 0.00 H new ATOM 0 HA ALA A 127 -6.183 -14.422 10.769 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -6.994 -12.239 11.597 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -5.448 -12.698 12.350 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -5.479 -11.479 11.054 1.00 0.00 H new ATOM 2002 N ILE A 128 -5.830 -12.356 8.244 1.00 0.00 N ATOM 2003 CA ILE A 128 -6.422 -11.940 6.979 1.00 0.00 C ATOM 2004 C ILE A 128 -6.570 -13.121 6.026 1.00 0.00 C ATOM 2005 O ILE A 128 -7.655 -13.380 5.504 1.00 0.00 O ATOM 2006 CB ILE A 128 -5.578 -10.847 6.296 1.00 0.00 C ATOM 2007 CG1 ILE A 128 -5.593 -9.565 7.131 1.00 0.00 C ATOM 2008 CG2 ILE A 128 -6.098 -10.577 4.892 1.00 0.00 C ATOM 2009 CD1 ILE A 128 -4.510 -8.581 6.746 1.00 0.00 C ATOM 0 H ILE A 128 -4.889 -11.998 8.408 1.00 0.00 H new ATOM 0 HA ILE A 128 -7.408 -11.537 7.209 1.00 0.00 H new ATOM 0 HB ILE A 128 -4.549 -11.197 6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.565 -9.083 7.025 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -5.479 -9.825 8.183 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -5.492 -9.803 4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -6.041 -11.491 4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.134 -10.244 4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -4.581 -7.696 7.379 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -3.533 -9.045 6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -4.635 -8.292 5.703 1.00 0.00 H new ATOM 2021 N LEU A 129 -5.472 -13.837 5.805 1.00 0.00 N ATOM 2022 CA LEU A 129 -5.480 -14.994 4.917 1.00 0.00 C ATOM 2023 C LEU A 129 -6.585 -15.971 5.303 1.00 0.00 C ATOM 2024 O LEU A 129 -7.279 -16.511 4.442 1.00 0.00 O ATOM 2025 CB LEU A 129 -4.123 -15.700 4.955 1.00 0.00 C ATOM 2026 CG LEU A 129 -2.944 -14.920 4.372 1.00 0.00 C ATOM 2027 CD1 LEU A 129 -1.627 -15.491 4.874 1.00 0.00 C ATOM 2028 CD2 LEU A 129 -2.991 -14.940 2.851 1.00 0.00 C ATOM 0 H LEU A 129 -4.566 -13.636 6.228 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.671 -14.641 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -3.893 -15.946 5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -4.211 -16.643 4.415 1.00 0.00 H new ATOM 0 HG LEU A 129 -3.018 -13.884 4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.799 -14.924 4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -1.592 -15.424 5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -1.544 -16.535 4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.145 -14.380 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.942 -15.970 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -3.920 -14.484 2.510 1.00 0.00 H new ATOM 2040 N ALA A 130 -6.746 -16.190 6.604 1.00 0.00 N ATOM 2041 CA ALA A 130 -7.770 -17.098 7.105 1.00 0.00 C ATOM 2042 C ALA A 130 -9.160 -16.485 6.973 1.00 0.00 C ATOM 2043 O ALA A 130 -10.029 -17.033 6.294 1.00 0.00 O ATOM 2044 CB ALA A 130 -7.488 -17.463 8.555 1.00 0.00 C ATOM 0 H ALA A 130 -6.180 -15.751 7.330 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.743 -18.005 6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -8.261 -18.142 8.916 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.515 -17.950 8.625 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -7.486 -16.559 9.164 1.00 0.00 H new ATOM 2050 N PHE A 131 -9.363 -15.346 7.626 1.00 0.00 N ATOM 2051 CA PHE A 131 -10.649 -14.659 7.582 1.00 0.00 C ATOM 2052 C PHE A 131 -11.283 -14.780 6.200 1.00 0.00 C ATOM 2053 O PHE A 131 -12.427 -15.217 6.065 1.00 0.00 O ATOM 2054 CB PHE A 131 -10.476 -13.184 7.949 1.00 0.00 C ATOM 2055 CG PHE A 131 -11.733 -12.376 7.794 1.00 0.00 C ATOM 2056 CD1 PHE A 131 -12.775 -12.513 8.697 1.00 0.00 C ATOM 2057 CD2 PHE A 131 -11.871 -11.481 6.746 1.00 0.00 C ATOM 2058 CE1 PHE A 131 -13.933 -11.770 8.557 1.00 0.00 C ATOM 2059 CE2 PHE A 131 -13.027 -10.736 6.602 1.00 0.00 C ATOM 2060 CZ PHE A 131 -14.059 -10.882 7.508 1.00 0.00 C ATOM 0 H PHE A 131 -8.654 -14.879 8.192 1.00 0.00 H new ATOM 0 HA PHE A 131 -11.310 -15.132 8.308 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -10.133 -13.113 8.981 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -9.696 -12.751 7.323 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -12.682 -13.207 9.519 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -11.067 -11.364 6.034 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -14.738 -11.885 9.268 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -13.123 -10.040 5.781 1.00 0.00 H new ATOM 0 HZ PHE A 131 -14.963 -10.302 7.396 1.00 0.00 H new ATOM 2070 N LEU A 132 -10.534 -14.389 5.175 1.00 0.00 N ATOM 2071 CA LEU A 132 -11.021 -14.452 3.802 1.00 0.00 C ATOM 2072 C LEU A 132 -11.546 -15.847 3.474 1.00 0.00 C ATOM 2073 O LEU A 132 -12.626 -15.996 2.902 1.00 0.00 O ATOM 2074 CB LEU A 132 -9.907 -14.072 2.826 1.00 0.00 C ATOM 2075 CG LEU A 132 -9.338 -12.660 2.974 1.00 0.00 C ATOM 2076 CD1 LEU A 132 -8.050 -12.518 2.179 1.00 0.00 C ATOM 2077 CD2 LEU A 132 -10.359 -11.624 2.528 1.00 0.00 C ATOM 0 H LEU A 132 -9.586 -14.025 5.269 1.00 0.00 H new ATOM 0 HA LEU A 132 -11.841 -13.741 3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -9.091 -14.785 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -10.287 -14.185 1.811 1.00 0.00 H new ATOM 0 HG LEU A 132 -9.112 -12.488 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -7.660 -11.507 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -7.315 -13.235 2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -8.250 -12.710 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -9.937 -10.625 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -10.617 -11.794 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -11.256 -11.710 3.141 1.00 0.00 H new ATOM 2089 N SER A 133 -10.775 -16.865 3.842 1.00 0.00 N ATOM 2090 CA SER A 133 -11.161 -18.248 3.586 1.00 0.00 C ATOM 2091 C SER A 133 -12.520 -18.556 4.207 1.00 0.00 C ATOM 2092 O SER A 133 -13.347 -19.245 3.609 1.00 0.00 O ATOM 2093 CB SER A 133 -10.105 -19.205 4.140 1.00 0.00 C ATOM 2094 OG SER A 133 -10.117 -20.438 3.441 1.00 0.00 O ATOM 0 H SER A 133 -9.879 -16.758 4.318 1.00 0.00 H new ATOM 0 HA SER A 133 -11.235 -18.386 2.507 1.00 0.00 H new ATOM 0 HB2 SER A 133 -9.119 -18.748 4.061 1.00 0.00 H new ATOM 0 HB3 SER A 133 -10.290 -19.382 5.199 1.00 0.00 H new ATOM 0 HG SER A 133 -9.432 -21.032 3.813 1.00 0.00 H new ATOM 2100 N LEU A 134 -12.743 -18.042 5.412 1.00 0.00 N ATOM 2101 CA LEU A 134 -14.001 -18.261 6.116 1.00 0.00 C ATOM 2102 C LEU A 134 -15.174 -17.685 5.329 1.00 0.00 C ATOM 2103 O LEU A 134 -16.216 -18.325 5.193 1.00 0.00 O ATOM 2104 CB LEU A 134 -13.947 -17.629 7.508 1.00 0.00 C ATOM 2105 CG LEU A 134 -12.738 -18.001 8.367 1.00 0.00 C ATOM 2106 CD1 LEU A 134 -12.735 -17.199 9.660 1.00 0.00 C ATOM 2107 CD2 LEU A 134 -12.735 -19.494 8.664 1.00 0.00 C ATOM 0 H LEU A 134 -12.069 -17.471 5.921 1.00 0.00 H new ATOM 0 HA LEU A 134 -14.149 -19.336 6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -13.967 -16.545 7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -14.851 -17.910 8.048 1.00 0.00 H new ATOM 0 HG LEU A 134 -11.832 -17.759 7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -11.868 -17.477 10.259 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -12.690 -16.135 9.428 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -13.645 -17.410 10.221 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -11.868 -19.741 9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -13.646 -19.760 9.200 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -12.689 -20.051 7.728 1.00 0.00 H new