USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 540 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 56 THR OG1 : rot -170:sc= 0.791 USER MOD Set 1.2: A 59 THR OG1 : rot 112:sc= 0.921 USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.0926) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.087) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.11 K(o=0.11,f=-1.6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.0157 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 1.14 K(o=1.1,f=-0.033) USER MOD Single : A 61 SER OG : rot 25:sc= 0.0578 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.392 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.515 K(o=-0.52,f=-4.9!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.548 K(o=0.55,f=-0.1) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.00169 USER MOD Single : A 100 MET CE :methyl -174:sc= 0 (180deg=-0.0377) USER MOD Single : A 103 LYS NZ :NH3+ 161:sc= 1.27 (180deg=0.966) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 1 -9.810 -59.067 0.585 1.00 0.00 N ATOM 77 CA MET A 1 -9.150 -58.509 -0.600 1.00 0.00 C ATOM 78 C MET A 1 -9.435 -57.003 -0.721 1.00 0.00 C ATOM 79 O MET A 1 -10.591 -56.579 -0.702 1.00 0.00 O ATOM 80 CB MET A 1 -9.620 -59.267 -1.855 1.00 0.00 C ATOM 81 CG MET A 1 -8.837 -58.856 -3.109 1.00 0.00 C ATOM 82 SD MET A 1 -9.276 -59.762 -4.622 1.00 0.00 S ATOM 83 CE MET A 1 -8.617 -61.409 -4.235 1.00 0.00 C ATOM 0 H1 MET A 1 -9.606 -60.085 0.649 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.456 -58.588 1.438 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.837 -58.924 0.510 1.00 0.00 H new ATOM 0 HA MET A 1 -8.071 -58.631 -0.502 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.507 -60.339 -1.693 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.682 -59.079 -2.014 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.993 -57.791 -3.283 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.773 -58.995 -2.916 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.664 -62.038 -5.124 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.581 -61.319 -3.908 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.210 -61.861 -3.440 1.00 0.00 H new ATOM 93 N ASP A 2 -8.379 -56.203 -0.885 1.00 0.00 N ATOM 94 CA ASP A 2 -8.449 -54.749 -1.099 1.00 0.00 C ATOM 95 C ASP A 2 -7.653 -54.335 -2.359 1.00 0.00 C ATOM 96 O ASP A 2 -6.431 -54.168 -2.289 1.00 0.00 O ATOM 97 CB ASP A 2 -7.944 -54.010 0.151 1.00 0.00 C ATOM 98 CG ASP A 2 -8.912 -54.125 1.338 1.00 0.00 C ATOM 99 OD1 ASP A 2 -8.599 -54.849 2.315 1.00 0.00 O ATOM 100 OD2 ASP A 2 -9.979 -53.463 1.315 1.00 0.00 O ATOM 0 H ASP A 2 -7.422 -56.556 -0.873 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.489 -54.469 -1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -6.973 -54.413 0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.794 -52.958 -0.090 1.00 0.00 H new ATOM 105 N PRO A 3 -8.314 -54.152 -3.523 1.00 0.00 N ATOM 106 CA PRO A 3 -7.665 -53.746 -4.775 1.00 0.00 C ATOM 107 C PRO A 3 -7.441 -52.229 -4.907 1.00 0.00 C ATOM 108 O PRO A 3 -7.019 -51.758 -5.963 1.00 0.00 O ATOM 109 CB PRO A 3 -8.566 -54.321 -5.875 1.00 0.00 C ATOM 110 CG PRO A 3 -9.960 -54.215 -5.260 1.00 0.00 C ATOM 111 CD PRO A 3 -9.713 -54.481 -3.773 1.00 0.00 C ATOM 0 HA PRO A 3 -6.647 -54.131 -4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.488 -53.751 -6.801 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.306 -55.353 -6.113 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.398 -53.231 -5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.646 -54.945 -5.690 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.372 -53.871 -3.155 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.917 -55.523 -3.526 1.00 0.00 H new ATOM 119 N LEU A 4 -7.714 -51.456 -3.849 1.00 0.00 N ATOM 120 CA LEU A 4 -7.704 -49.987 -3.844 1.00 0.00 C ATOM 121 C LEU A 4 -6.623 -49.377 -2.928 1.00 0.00 C ATOM 122 O LEU A 4 -6.784 -48.274 -2.414 1.00 0.00 O ATOM 123 CB LEU A 4 -9.125 -49.463 -3.539 1.00 0.00 C ATOM 124 CG LEU A 4 -10.218 -49.881 -4.539 1.00 0.00 C ATOM 125 CD1 LEU A 4 -11.570 -49.335 -4.081 1.00 0.00 C ATOM 126 CD2 LEU A 4 -9.949 -49.361 -5.954 1.00 0.00 C ATOM 0 H LEU A 4 -7.957 -51.850 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.418 -49.651 -4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.415 -49.808 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.091 -48.374 -3.500 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.219 -50.971 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.342 -49.632 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.809 -49.735 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.524 -48.247 -4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.750 -49.684 -6.619 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.907 -48.272 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.998 -49.756 -6.312 1.00 0.00 H new ATOM 138 N ASP A 5 -5.496 -50.067 -2.735 1.00 0.00 N ATOM 139 CA ASP A 5 -4.308 -49.518 -2.045 1.00 0.00 C ATOM 140 C ASP A 5 -3.215 -48.990 -2.997 1.00 0.00 C ATOM 141 O ASP A 5 -2.182 -48.476 -2.560 1.00 0.00 O ATOM 142 CB ASP A 5 -3.759 -50.561 -1.059 1.00 0.00 C ATOM 143 CG ASP A 5 -4.560 -50.588 0.254 1.00 0.00 C ATOM 144 OD1 ASP A 5 -4.452 -49.620 1.046 1.00 0.00 O ATOM 145 OD2 ASP A 5 -5.274 -51.584 0.515 1.00 0.00 O ATOM 0 H ASP A 5 -5.373 -51.029 -3.052 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.636 -48.636 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.787 -51.548 -1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.714 -50.340 -0.842 1.00 0.00 H new ATOM 150 N LYS A 6 -3.454 -49.109 -4.307 1.00 0.00 N ATOM 151 CA LYS A 6 -2.484 -48.849 -5.388 1.00 0.00 C ATOM 152 C LYS A 6 -2.690 -47.519 -6.133 1.00 0.00 C ATOM 153 O LYS A 6 -1.709 -46.892 -6.535 1.00 0.00 O ATOM 154 CB LYS A 6 -2.498 -50.066 -6.334 1.00 0.00 C ATOM 155 CG LYS A 6 -3.794 -50.161 -7.160 1.00 0.00 C ATOM 156 CD LYS A 6 -4.188 -51.579 -7.569 1.00 0.00 C ATOM 157 CE LYS A 6 -3.113 -52.262 -8.424 1.00 0.00 C ATOM 158 NZ LYS A 6 -3.504 -53.650 -8.787 1.00 0.00 N ATOM 0 H LYS A 6 -4.364 -49.401 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.499 -48.725 -4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.645 -50.006 -7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.377 -50.978 -5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.609 -49.724 -6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.680 -49.556 -8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.369 -52.175 -6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.125 -51.546 -8.126 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.945 -51.681 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.170 -52.280 -7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.755 -54.082 -9.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.640 -54.210 -7.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.391 -53.630 -9.329 1.00 0.00 H new ATOM 172 N ILE A 7 -3.950 -47.101 -6.316 1.00 0.00 N ATOM 173 CA ILE A 7 -4.365 -45.920 -7.104 1.00 0.00 C ATOM 174 C ILE A 7 -5.576 -45.181 -6.515 1.00 0.00 C ATOM 175 O ILE A 7 -5.579 -43.952 -6.512 1.00 0.00 O ATOM 176 CB ILE A 7 -4.629 -46.272 -8.598 1.00 0.00 C ATOM 177 CG1 ILE A 7 -5.593 -47.460 -8.872 1.00 0.00 C ATOM 178 CG2 ILE A 7 -3.296 -46.537 -9.320 1.00 0.00 C ATOM 179 CD1 ILE A 7 -7.045 -47.074 -9.174 1.00 0.00 C ATOM 0 H ILE A 7 -4.744 -47.592 -5.905 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.516 -45.239 -7.050 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.143 -45.393 -8.986 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.205 -48.033 -9.714 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.584 -48.121 -8.005 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.490 -46.782 -10.364 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.670 -45.646 -9.267 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.782 -47.370 -8.841 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.632 -47.975 -9.350 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.461 -46.530 -8.326 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.076 -46.442 -10.061 1.00 0.00 H new ATOM 191 N ILE A 8 -6.604 -45.903 -6.039 1.00 0.00 N ATOM 192 CA ILE A 8 -7.876 -45.369 -5.482 1.00 0.00 C ATOM 193 C ILE A 8 -8.468 -44.116 -6.193 1.00 0.00 C ATOM 194 O ILE A 8 -9.060 -43.237 -5.564 1.00 0.00 O ATOM 195 CB ILE A 8 -7.808 -45.304 -3.933 1.00 0.00 C ATOM 196 CG1 ILE A 8 -9.220 -45.343 -3.299 1.00 0.00 C ATOM 197 CG2 ILE A 8 -6.943 -44.152 -3.391 1.00 0.00 C ATOM 198 CD1 ILE A 8 -9.228 -45.631 -1.791 1.00 0.00 C ATOM 0 H ILE A 8 -6.578 -46.923 -6.028 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.649 -46.096 -5.731 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.286 -46.208 -3.619 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.712 -44.387 -3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.812 -46.105 -3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.947 -44.176 -2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.921 -44.263 -3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.348 -43.200 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.256 -45.641 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.768 -46.601 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.666 -44.856 -1.270 1.00 0.00 H new ATOM 210 N ASN A 9 -8.320 -44.022 -7.523 1.00 0.00 N ATOM 211 CA ASN A 9 -8.769 -42.893 -8.362 1.00 0.00 C ATOM 212 C ASN A 9 -8.208 -41.513 -7.928 1.00 0.00 C ATOM 213 O ASN A 9 -8.834 -40.472 -8.141 1.00 0.00 O ATOM 214 CB ASN A 9 -10.307 -42.986 -8.511 1.00 0.00 C ATOM 215 CG ASN A 9 -10.890 -42.223 -9.691 1.00 0.00 C ATOM 216 OD1 ASN A 9 -11.075 -42.754 -10.777 1.00 0.00 O ATOM 217 ND2 ASN A 9 -11.226 -40.966 -9.519 1.00 0.00 N ATOM 0 H ASN A 9 -7.868 -44.756 -8.067 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.335 -42.979 -9.358 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -10.584 -44.036 -8.605 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -10.768 -42.615 -7.595 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.639 -40.439 -10.288 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.075 -40.517 -8.616 1.00 0.00 H new ATOM 224 N ASP A 10 -7.017 -41.476 -7.323 1.00 0.00 N ATOM 225 CA ASP A 10 -6.509 -40.294 -6.605 1.00 0.00 C ATOM 226 C ASP A 10 -5.876 -39.178 -7.463 1.00 0.00 C ATOM 227 O ASP A 10 -5.281 -38.233 -6.936 1.00 0.00 O ATOM 228 CB ASP A 10 -5.618 -40.726 -5.425 1.00 0.00 C ATOM 229 CG ASP A 10 -4.147 -41.034 -5.786 1.00 0.00 C ATOM 230 OD1 ASP A 10 -3.813 -41.287 -6.969 1.00 0.00 O ATOM 231 OD2 ASP A 10 -3.300 -41.017 -4.859 1.00 0.00 O ATOM 0 H ASP A 10 -6.372 -42.266 -7.315 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.400 -39.796 -6.221 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.633 -39.938 -4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.056 -41.613 -4.966 1.00 0.00 H new ATOM 236 N ILE A 11 -6.019 -39.285 -8.783 1.00 0.00 N ATOM 237 CA ILE A 11 -5.423 -38.387 -9.791 1.00 0.00 C ATOM 238 C ILE A 11 -6.348 -38.096 -10.985 1.00 0.00 C ATOM 239 O ILE A 11 -5.901 -37.646 -12.044 1.00 0.00 O ATOM 240 CB ILE A 11 -4.008 -38.913 -10.159 1.00 0.00 C ATOM 241 CG1 ILE A 11 -3.060 -37.911 -10.858 1.00 0.00 C ATOM 242 CG2 ILE A 11 -4.079 -40.211 -10.986 1.00 0.00 C ATOM 243 CD1 ILE A 11 -2.874 -36.593 -10.096 1.00 0.00 C ATOM 0 H ILE A 11 -6.575 -40.029 -9.205 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.299 -37.394 -9.359 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.562 -39.100 -9.182 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.086 -38.381 -10.993 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.449 -37.692 -11.853 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.070 -40.547 -11.223 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.592 -40.982 -10.410 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.626 -40.024 -11.910 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.196 -35.945 -10.651 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.839 -36.098 -9.984 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.455 -36.798 -9.111 1.00 0.00 H new ATOM 255 N LYS A 12 -7.657 -38.333 -10.813 1.00 0.00 N ATOM 256 CA LYS A 12 -8.662 -38.193 -11.883 1.00 0.00 C ATOM 257 C LYS A 12 -9.891 -37.345 -11.518 1.00 0.00 C ATOM 258 O LYS A 12 -10.440 -36.674 -12.394 1.00 0.00 O ATOM 259 CB LYS A 12 -9.007 -39.609 -12.391 1.00 0.00 C ATOM 260 CG LYS A 12 -9.844 -39.632 -13.680 1.00 0.00 C ATOM 261 CD LYS A 12 -11.352 -39.789 -13.430 1.00 0.00 C ATOM 262 CE LYS A 12 -12.086 -39.627 -14.764 1.00 0.00 C ATOM 263 NZ LYS A 12 -13.542 -39.899 -14.638 1.00 0.00 N ATOM 0 H LYS A 12 -8.053 -38.630 -9.921 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.227 -37.606 -12.691 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.080 -40.156 -12.564 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.550 -40.140 -11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.670 -38.709 -14.233 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.501 -40.452 -14.312 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.564 -40.767 -12.997 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.697 -39.042 -12.715 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.938 -38.614 -15.138 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.653 -40.305 -15.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.999 -39.778 -15.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.686 -40.874 -14.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.961 -39.236 -13.955 1.00 0.00 H new ATOM 608 N LEU A 35 -9.902 3.277 0.179 1.00 0.00 N ATOM 609 CA LEU A 35 -9.087 3.822 1.272 1.00 0.00 C ATOM 610 C LEU A 35 -9.740 5.079 1.879 1.00 0.00 C ATOM 611 O LEU A 35 -10.510 5.776 1.210 1.00 0.00 O ATOM 612 CB LEU A 35 -7.689 4.146 0.709 1.00 0.00 C ATOM 613 CG LEU A 35 -6.873 2.897 0.321 1.00 0.00 C ATOM 614 CD1 LEU A 35 -5.762 3.259 -0.655 1.00 0.00 C ATOM 615 CD2 LEU A 35 -6.224 2.260 1.548 1.00 0.00 C ATOM 0 HA LEU A 35 -9.006 3.088 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.799 4.784 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.131 4.717 1.451 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.568 2.195 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.199 2.362 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.196 3.689 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.094 3.985 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.655 1.381 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.555 2.979 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.998 1.964 2.256 1.00 0.00 H new ATOM 627 N SER A 36 -9.399 5.397 3.132 1.00 0.00 N ATOM 628 CA SER A 36 -9.741 6.689 3.758 1.00 0.00 C ATOM 629 C SER A 36 -8.936 7.833 3.120 1.00 0.00 C ATOM 630 O SER A 36 -7.918 7.587 2.477 1.00 0.00 O ATOM 631 CB SER A 36 -9.508 6.606 5.272 1.00 0.00 C ATOM 632 OG SER A 36 -9.936 7.796 5.915 1.00 0.00 O ATOM 0 H SER A 36 -8.878 4.770 3.745 1.00 0.00 H new ATOM 0 HA SER A 36 -10.796 6.905 3.586 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.048 5.752 5.681 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.450 6.440 5.473 1.00 0.00 H new ATOM 0 HG SER A 36 -9.780 7.721 6.880 1.00 0.00 H new ATOM 638 N GLU A 37 -9.340 9.091 3.308 1.00 0.00 N ATOM 639 CA GLU A 37 -8.671 10.276 2.742 1.00 0.00 C ATOM 640 C GLU A 37 -7.171 10.334 3.082 1.00 0.00 C ATOM 641 O GLU A 37 -6.351 10.574 2.196 1.00 0.00 O ATOM 642 CB GLU A 37 -9.437 11.524 3.218 1.00 0.00 C ATOM 643 CG GLU A 37 -8.760 12.880 2.953 1.00 0.00 C ATOM 644 CD GLU A 37 -7.777 13.344 4.055 1.00 0.00 C ATOM 645 OE1 GLU A 37 -8.020 13.097 5.261 1.00 0.00 O ATOM 646 OE2 GLU A 37 -6.773 14.019 3.721 1.00 0.00 O ATOM 0 H GLU A 37 -10.159 9.325 3.869 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.699 10.223 1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.415 11.530 2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.610 11.431 4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.222 12.822 2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.533 13.639 2.834 1.00 0.00 H new ATOM 653 N GLN A 38 -6.797 10.029 4.327 1.00 0.00 N ATOM 654 CA GLN A 38 -5.391 9.966 4.743 1.00 0.00 C ATOM 655 C GLN A 38 -4.708 8.665 4.298 1.00 0.00 C ATOM 656 O GLN A 38 -3.539 8.677 3.923 1.00 0.00 O ATOM 657 CB GLN A 38 -5.261 10.203 6.258 1.00 0.00 C ATOM 658 CG GLN A 38 -6.047 9.218 7.146 1.00 0.00 C ATOM 659 CD GLN A 38 -5.509 9.191 8.575 1.00 0.00 C ATOM 660 OE1 GLN A 38 -5.988 9.876 9.471 1.00 0.00 O ATOM 661 NE2 GLN A 38 -4.487 8.401 8.839 1.00 0.00 N ATOM 0 H GLN A 38 -7.458 9.819 5.075 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.861 10.771 4.234 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.207 10.149 6.529 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.596 11.216 6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.100 9.501 7.159 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.991 8.217 6.717 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.082 7.827 8.100 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.102 8.364 9.783 1.00 0.00 H new ATOM 670 N GLN A 39 -5.437 7.545 4.276 1.00 0.00 N ATOM 671 CA GLN A 39 -4.901 6.247 3.861 1.00 0.00 C ATOM 672 C GLN A 39 -4.573 6.225 2.362 1.00 0.00 C ATOM 673 O GLN A 39 -3.528 5.715 1.969 1.00 0.00 O ATOM 674 CB GLN A 39 -5.858 5.124 4.278 1.00 0.00 C ATOM 675 CG GLN A 39 -5.819 4.853 5.791 1.00 0.00 C ATOM 676 CD GLN A 39 -6.744 3.704 6.192 1.00 0.00 C ATOM 677 OE1 GLN A 39 -7.859 3.572 5.703 1.00 0.00 O ATOM 678 NE2 GLN A 39 -6.333 2.836 7.094 1.00 0.00 N ATOM 0 H GLN A 39 -6.420 7.514 4.547 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.955 6.077 4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.874 5.389 3.985 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.599 4.211 3.741 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.798 4.618 6.091 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.109 5.756 6.328 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.407 2.933 7.510 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.941 2.067 7.376 1.00 0.00 H new ATOM 687 N LYS A 40 -5.384 6.876 1.525 1.00 0.00 N ATOM 688 CA LYS A 40 -5.105 7.059 0.093 1.00 0.00 C ATOM 689 C LYS A 40 -3.784 7.813 -0.124 1.00 0.00 C ATOM 690 O LYS A 40 -2.999 7.431 -0.991 1.00 0.00 O ATOM 691 CB LYS A 40 -6.314 7.784 -0.524 1.00 0.00 C ATOM 692 CG LYS A 40 -6.142 8.079 -2.021 1.00 0.00 C ATOM 693 CD LYS A 40 -7.378 8.762 -2.628 1.00 0.00 C ATOM 694 CE LYS A 40 -8.573 7.803 -2.741 1.00 0.00 C ATOM 695 NZ LYS A 40 -9.726 8.449 -3.421 1.00 0.00 N ATOM 0 H LYS A 40 -6.264 7.297 1.823 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.972 6.097 -0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.207 7.175 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.478 8.721 0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.270 8.717 -2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.947 7.147 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.657 9.617 -2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.129 9.148 -3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.275 6.912 -3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.873 7.475 -1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.516 7.775 -3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.025 9.285 -2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.445 8.740 -4.379 1.00 0.00 H new ATOM 709 N ILE A 41 -3.497 8.826 0.700 1.00 0.00 N ATOM 710 CA ILE A 41 -2.238 9.586 0.645 1.00 0.00 C ATOM 711 C ILE A 41 -1.064 8.758 1.180 1.00 0.00 C ATOM 712 O ILE A 41 -0.007 8.788 0.566 1.00 0.00 O ATOM 713 CB ILE A 41 -2.355 10.927 1.396 1.00 0.00 C ATOM 714 CG1 ILE A 41 -3.496 11.799 0.815 1.00 0.00 C ATOM 715 CG2 ILE A 41 -1.037 11.724 1.355 1.00 0.00 C ATOM 716 CD1 ILE A 41 -3.988 12.877 1.784 1.00 0.00 C ATOM 0 H ILE A 41 -4.134 9.146 1.430 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.039 9.810 -0.403 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.582 10.682 2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.149 12.276 -0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.333 11.156 0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.162 12.662 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.244 11.140 1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.771 11.935 0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.787 13.451 1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.365 12.406 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.163 13.543 2.037 1.00 0.00 H new ATOM 728 N ILE A 42 -1.212 7.984 2.263 1.00 0.00 N ATOM 729 CA ILE A 42 -0.118 7.134 2.782 1.00 0.00 C ATOM 730 C ILE A 42 0.249 6.050 1.764 1.00 0.00 C ATOM 731 O ILE A 42 1.429 5.806 1.509 1.00 0.00 O ATOM 732 CB ILE A 42 -0.500 6.504 4.137 1.00 0.00 C ATOM 733 CG1 ILE A 42 -0.700 7.581 5.227 1.00 0.00 C ATOM 734 CG2 ILE A 42 0.582 5.515 4.612 1.00 0.00 C ATOM 735 CD1 ILE A 42 -1.636 7.081 6.330 1.00 0.00 C ATOM 0 H ILE A 42 -2.077 7.925 2.801 1.00 0.00 H new ATOM 0 HA ILE A 42 0.755 7.767 2.942 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.439 5.973 3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.264 7.850 5.658 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.112 8.485 4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.287 5.086 5.569 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.695 4.719 3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.530 6.040 4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.759 7.859 7.083 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.607 6.836 5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.210 6.191 6.793 1.00 0.00 H new ATOM 747 N LEU A 43 -0.768 5.444 1.143 1.00 0.00 N ATOM 748 CA LEU A 43 -0.613 4.480 0.053 1.00 0.00 C ATOM 749 C LEU A 43 0.190 5.110 -1.093 1.00 0.00 C ATOM 750 O LEU A 43 1.222 4.577 -1.508 1.00 0.00 O ATOM 751 CB LEU A 43 -2.018 3.995 -0.371 1.00 0.00 C ATOM 752 CG LEU A 43 -2.133 2.963 -1.510 1.00 0.00 C ATOM 753 CD1 LEU A 43 -1.899 3.549 -2.904 1.00 0.00 C ATOM 754 CD2 LEU A 43 -1.229 1.750 -1.295 1.00 0.00 C ATOM 0 H LEU A 43 -1.743 5.615 1.391 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.045 3.607 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.501 3.571 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.597 4.872 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.172 2.635 -1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.997 2.761 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.636 4.328 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.897 3.976 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.349 1.055 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.190 2.075 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.502 1.253 -0.364 1.00 0.00 H new ATOM 766 N ALA A 44 -0.243 6.281 -1.557 1.00 0.00 N ATOM 767 CA ALA A 44 0.389 6.998 -2.655 1.00 0.00 C ATOM 768 C ALA A 44 1.815 7.461 -2.327 1.00 0.00 C ATOM 769 O ALA A 44 2.733 7.167 -3.087 1.00 0.00 O ATOM 770 CB ALA A 44 -0.511 8.181 -3.002 1.00 0.00 C ATOM 0 H ALA A 44 -1.056 6.763 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 44 0.498 6.326 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.070 8.745 -3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.494 7.815 -3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.613 8.828 -2.131 1.00 0.00 H new ATOM 776 N GLU A 45 2.030 8.135 -1.192 1.00 0.00 N ATOM 777 CA GLU A 45 3.342 8.658 -0.786 1.00 0.00 C ATOM 778 C GLU A 45 4.401 7.562 -0.573 1.00 0.00 C ATOM 779 O GLU A 45 5.593 7.846 -0.688 1.00 0.00 O ATOM 780 CB GLU A 45 3.194 9.503 0.490 1.00 0.00 C ATOM 781 CG GLU A 45 2.518 10.863 0.253 1.00 0.00 C ATOM 782 CD GLU A 45 3.437 11.840 -0.507 1.00 0.00 C ATOM 783 OE1 GLU A 45 3.325 11.946 -1.752 1.00 0.00 O ATOM 784 OE2 GLU A 45 4.272 12.520 0.139 1.00 0.00 O ATOM 0 H GLU A 45 1.289 8.336 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 45 3.700 9.275 -1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.614 8.941 1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.181 9.668 0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.598 10.717 -0.312 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.237 11.300 1.211 1.00 0.00 H new ATOM 791 N TYR A 46 3.999 6.310 -0.322 1.00 0.00 N ATOM 792 CA TYR A 46 4.913 5.169 -0.243 1.00 0.00 C ATOM 793 C TYR A 46 5.449 4.802 -1.639 1.00 0.00 C ATOM 794 O TYR A 46 6.645 4.922 -1.909 1.00 0.00 O ATOM 795 CB TYR A 46 4.177 4.016 0.460 1.00 0.00 C ATOM 796 CG TYR A 46 4.921 2.712 0.694 1.00 0.00 C ATOM 797 CD1 TYR A 46 6.326 2.618 0.614 1.00 0.00 C ATOM 798 CD2 TYR A 46 4.166 1.574 1.033 1.00 0.00 C ATOM 799 CE1 TYR A 46 6.969 1.394 0.882 1.00 0.00 C ATOM 800 CE2 TYR A 46 4.803 0.344 1.286 1.00 0.00 C ATOM 801 CZ TYR A 46 6.208 0.253 1.212 1.00 0.00 C ATOM 802 OH TYR A 46 6.818 -0.942 1.431 1.00 0.00 O ATOM 0 H TYR A 46 3.022 6.061 -0.167 1.00 0.00 H new ATOM 0 HA TYR A 46 5.797 5.413 0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.838 4.382 1.429 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.285 3.788 -0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.910 3.486 0.347 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.090 1.644 1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.046 1.329 0.835 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.217 -0.528 1.536 1.00 0.00 H new ATOM 0 HH TYR A 46 7.717 -0.789 1.790 1.00 0.00 H new ATOM 812 N ILE A 47 4.563 4.440 -2.568 1.00 0.00 N ATOM 813 CA ILE A 47 4.872 4.059 -3.950 1.00 0.00 C ATOM 814 C ILE A 47 5.496 5.225 -4.735 1.00 0.00 C ATOM 815 O ILE A 47 6.362 5.005 -5.574 1.00 0.00 O ATOM 816 CB ILE A 47 3.554 3.591 -4.577 1.00 0.00 C ATOM 817 CG1 ILE A 47 3.152 2.233 -3.959 1.00 0.00 C ATOM 818 CG2 ILE A 47 3.640 3.455 -6.104 1.00 0.00 C ATOM 819 CD1 ILE A 47 1.635 2.026 -3.887 1.00 0.00 C ATOM 0 H ILE A 47 3.563 4.402 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 47 5.615 3.262 -3.976 1.00 0.00 H new ATOM 0 HB ILE A 47 2.802 4.351 -4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.594 1.429 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.570 2.160 -2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.679 3.121 -6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.893 4.421 -6.542 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.409 2.727 -6.362 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.421 1.054 -3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.189 2.810 -3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.214 2.067 -4.892 1.00 0.00 H new ATOM 831 N ALA A 48 5.119 6.469 -4.440 1.00 0.00 N ATOM 832 CA ALA A 48 5.705 7.663 -5.050 1.00 0.00 C ATOM 833 C ALA A 48 7.156 7.927 -4.591 1.00 0.00 C ATOM 834 O ALA A 48 7.909 8.604 -5.293 1.00 0.00 O ATOM 835 CB ALA A 48 4.791 8.847 -4.726 1.00 0.00 C ATOM 0 H ALA A 48 4.387 6.679 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 48 5.773 7.513 -6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.201 9.755 -5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.797 8.662 -5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.722 8.969 -3.645 1.00 0.00 H new ATOM 841 N GLU A 49 7.565 7.383 -3.438 1.00 0.00 N ATOM 842 CA GLU A 49 8.925 7.507 -2.900 1.00 0.00 C ATOM 843 C GLU A 49 9.828 6.322 -3.291 1.00 0.00 C ATOM 844 O GLU A 49 11.020 6.536 -3.535 1.00 0.00 O ATOM 845 CB GLU A 49 8.843 7.683 -1.372 1.00 0.00 C ATOM 846 CG GLU A 49 10.165 8.072 -0.694 1.00 0.00 C ATOM 847 CD GLU A 49 10.604 9.508 -1.052 1.00 0.00 C ATOM 848 OE1 GLU A 49 11.412 9.691 -1.995 1.00 0.00 O ATOM 849 OE2 GLU A 49 10.153 10.469 -0.382 1.00 0.00 O ATOM 0 H GLU A 49 6.947 6.833 -2.841 1.00 0.00 H new ATOM 0 HA GLU A 49 9.393 8.387 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.098 8.447 -1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.486 6.752 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.056 7.986 0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.944 7.371 -0.992 1.00 0.00 H new ATOM 856 N VAL A 50 9.299 5.089 -3.392 1.00 0.00 N ATOM 857 CA VAL A 50 10.124 3.886 -3.644 1.00 0.00 C ATOM 858 C VAL A 50 9.816 3.183 -4.966 1.00 0.00 C ATOM 859 O VAL A 50 10.651 2.424 -5.448 1.00 0.00 O ATOM 860 CB VAL A 50 10.092 2.890 -2.464 1.00 0.00 C ATOM 861 CG1 VAL A 50 10.445 3.572 -1.136 1.00 0.00 C ATOM 862 CG2 VAL A 50 8.761 2.148 -2.291 1.00 0.00 C ATOM 0 H VAL A 50 8.301 4.896 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 50 11.141 4.267 -3.735 1.00 0.00 H new ATOM 0 HB VAL A 50 10.847 2.149 -2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.412 2.839 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.447 3.996 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.727 4.367 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.830 1.471 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.962 2.869 -2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.543 1.576 -3.193 1.00 0.00 H new ATOM 872 N GLY A 51 8.655 3.428 -5.576 1.00 0.00 N ATOM 873 CA GLY A 51 8.158 2.695 -6.746 1.00 0.00 C ATOM 874 C GLY A 51 7.519 1.363 -6.348 1.00 0.00 C ATOM 875 O GLY A 51 8.014 0.665 -5.462 1.00 0.00 O ATOM 0 H GLY A 51 8.017 4.160 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.427 3.306 -7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.980 2.512 -7.438 1.00 0.00 H new ATOM 879 N LEU A 52 6.415 0.976 -6.999 1.00 0.00 N ATOM 880 CA LEU A 52 5.589 -0.157 -6.546 1.00 0.00 C ATOM 881 C LEU A 52 6.314 -1.518 -6.586 1.00 0.00 C ATOM 882 O LEU A 52 5.971 -2.466 -5.885 1.00 0.00 O ATOM 883 CB LEU A 52 4.264 -0.172 -7.336 1.00 0.00 C ATOM 884 CG LEU A 52 3.233 -1.117 -6.682 1.00 0.00 C ATOM 885 CD1 LEU A 52 1.875 -0.433 -6.610 1.00 0.00 C ATOM 886 CD2 LEU A 52 3.093 -2.411 -7.477 1.00 0.00 C ATOM 0 H LEU A 52 6.070 1.431 -7.844 1.00 0.00 H new ATOM 0 HA LEU A 52 5.374 -0.003 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.856 0.837 -7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.453 -0.490 -8.361 1.00 0.00 H new ATOM 0 HG LEU A 52 3.586 -1.355 -5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.153 -1.106 -6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.957 0.476 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.542 -0.179 -7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.361 -3.058 -6.994 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.762 -2.182 -8.490 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.056 -2.920 -7.516 1.00 0.00 H new ATOM 898 N GLN A 53 7.388 -1.570 -7.359 1.00 0.00 N ATOM 899 CA GLN A 53 8.307 -2.707 -7.487 1.00 0.00 C ATOM 900 C GLN A 53 9.097 -3.003 -6.194 1.00 0.00 C ATOM 901 O GLN A 53 9.654 -4.095 -6.061 1.00 0.00 O ATOM 902 CB GLN A 53 9.280 -2.418 -8.642 1.00 0.00 C ATOM 903 CG GLN A 53 8.579 -2.372 -10.011 1.00 0.00 C ATOM 904 CD GLN A 53 9.498 -1.805 -11.088 1.00 0.00 C ATOM 905 OE1 GLN A 53 10.066 -2.515 -11.909 1.00 0.00 O ATOM 906 NE2 GLN A 53 9.687 -0.501 -11.116 1.00 0.00 N ATOM 0 H GLN A 53 7.662 -0.783 -7.947 1.00 0.00 H new ATOM 0 HA GLN A 53 7.709 -3.596 -7.687 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.779 -1.466 -8.462 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.054 -3.185 -8.660 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.262 -3.376 -10.293 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.679 -1.761 -9.940 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.218 0.097 -10.436 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.303 -0.090 -11.818 1.00 0.00 H new ATOM 915 N ASN A 54 9.156 -2.053 -5.248 1.00 0.00 N ATOM 916 CA ASN A 54 9.969 -2.145 -4.025 1.00 0.00 C ATOM 917 C ASN A 54 9.160 -2.247 -2.722 1.00 0.00 C ATOM 918 O ASN A 54 9.739 -2.464 -1.653 1.00 0.00 O ATOM 919 CB ASN A 54 10.968 -0.978 -3.995 1.00 0.00 C ATOM 920 CG ASN A 54 11.884 -0.988 -5.206 1.00 0.00 C ATOM 921 OD1 ASN A 54 12.702 -1.878 -5.397 1.00 0.00 O ATOM 922 ND2 ASN A 54 11.755 -0.014 -6.073 1.00 0.00 N ATOM 0 H ASN A 54 8.629 -1.182 -5.313 1.00 0.00 H new ATOM 0 HA ASN A 54 10.506 -3.092 -4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.424 -0.034 -3.959 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.567 -1.035 -3.086 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.337 0.004 -6.910 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.072 0.726 -5.911 1.00 0.00 H new ATOM 929 N ILE A 55 7.834 -2.122 -2.799 1.00 0.00 N ATOM 930 CA ILE A 55 6.928 -2.343 -1.659 1.00 0.00 C ATOM 931 C ILE A 55 6.659 -3.830 -1.404 1.00 0.00 C ATOM 932 O ILE A 55 6.846 -4.679 -2.280 1.00 0.00 O ATOM 933 CB ILE A 55 5.613 -1.536 -1.760 1.00 0.00 C ATOM 934 CG1 ILE A 55 4.552 -2.184 -2.674 1.00 0.00 C ATOM 935 CG2 ILE A 55 5.911 -0.072 -2.126 1.00 0.00 C ATOM 936 CD1 ILE A 55 3.311 -1.311 -2.856 1.00 0.00 C ATOM 0 H ILE A 55 7.350 -1.863 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 55 7.459 -1.957 -0.789 1.00 0.00 H new ATOM 0 HB ILE A 55 5.152 -1.549 -0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.994 -2.386 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.256 -3.145 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.976 0.484 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.543 0.374 -1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.425 -0.034 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.601 -1.819 -3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.848 -1.131 -1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.598 -0.360 -3.304 1.00 0.00 H new ATOM 948 N THR A 56 6.157 -4.131 -0.209 1.00 0.00 N ATOM 949 CA THR A 56 5.667 -5.459 0.188 1.00 0.00 C ATOM 950 C THR A 56 4.291 -5.336 0.826 1.00 0.00 C ATOM 951 O THR A 56 4.031 -4.366 1.530 1.00 0.00 O ATOM 952 CB THR A 56 6.641 -6.158 1.161 1.00 0.00 C ATOM 953 OG1 THR A 56 7.367 -5.253 1.962 1.00 0.00 O ATOM 954 CG2 THR A 56 7.652 -7.013 0.402 1.00 0.00 C ATOM 0 H THR A 56 6.075 -3.440 0.537 1.00 0.00 H new ATOM 0 HA THR A 56 5.598 -6.072 -0.711 1.00 0.00 H new ATOM 0 HB THR A 56 6.012 -6.773 1.805 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.074 -5.734 2.441 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.326 -7.494 1.111 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.125 -7.775 -0.173 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.227 -6.381 -0.275 1.00 0.00 H new ATOM 962 N ALA A 57 3.413 -6.329 0.656 1.00 0.00 N ATOM 963 CA ALA A 57 2.106 -6.375 1.319 1.00 0.00 C ATOM 964 C ALA A 57 2.238 -6.474 2.848 1.00 0.00 C ATOM 965 O ALA A 57 1.357 -6.024 3.570 1.00 0.00 O ATOM 966 CB ALA A 57 1.316 -7.564 0.766 1.00 0.00 C ATOM 0 H ALA A 57 3.591 -7.130 0.050 1.00 0.00 H new ATOM 0 HA ALA A 57 1.576 -5.445 1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.341 -7.610 1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.181 -7.443 -0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.863 -8.487 0.962 1.00 0.00 H new ATOM 972 N ILE A 58 3.362 -7.006 3.339 1.00 0.00 N ATOM 973 CA ILE A 58 3.729 -7.060 4.760 1.00 0.00 C ATOM 974 C ILE A 58 3.968 -5.641 5.285 1.00 0.00 C ATOM 975 O ILE A 58 3.459 -5.259 6.338 1.00 0.00 O ATOM 976 CB ILE A 58 5.001 -7.927 4.931 1.00 0.00 C ATOM 977 CG1 ILE A 58 4.736 -9.448 4.801 1.00 0.00 C ATOM 978 CG2 ILE A 58 5.644 -7.695 6.313 1.00 0.00 C ATOM 979 CD1 ILE A 58 4.236 -9.939 3.435 1.00 0.00 C ATOM 0 H ILE A 58 4.069 -7.427 2.736 1.00 0.00 H new ATOM 0 HA ILE A 58 2.918 -7.510 5.333 1.00 0.00 H new ATOM 0 HB ILE A 58 5.663 -7.615 4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.659 -9.977 5.037 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.003 -9.733 5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.535 -8.315 6.408 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.920 -6.645 6.414 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.932 -7.960 7.095 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.087 -11.018 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.292 -9.450 3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.974 -9.698 2.669 1.00 0.00 H new ATOM 991 N THR A 59 4.731 -4.845 4.537 1.00 0.00 N ATOM 992 CA THR A 59 5.051 -3.466 4.900 1.00 0.00 C ATOM 993 C THR A 59 3.840 -2.572 4.681 1.00 0.00 C ATOM 994 O THR A 59 3.482 -1.812 5.571 1.00 0.00 O ATOM 995 CB THR A 59 6.264 -2.982 4.102 1.00 0.00 C ATOM 996 OG1 THR A 59 7.370 -3.816 4.371 1.00 0.00 O ATOM 997 CG2 THR A 59 6.684 -1.570 4.488 1.00 0.00 C ATOM 0 H THR A 59 5.148 -5.142 3.655 1.00 0.00 H new ATOM 0 HA THR A 59 5.309 -3.420 5.958 1.00 0.00 H new ATOM 0 HB THR A 59 5.973 -3.004 3.052 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.593 -4.333 3.569 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.548 -1.272 3.894 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.860 -0.881 4.300 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.944 -1.544 5.546 1.00 0.00 H new ATOM 1005 N LEU A 60 3.123 -2.719 3.565 1.00 0.00 N ATOM 1006 CA LEU A 60 1.892 -1.985 3.268 1.00 0.00 C ATOM 1007 C LEU A 60 0.782 -2.286 4.295 1.00 0.00 C ATOM 1008 O LEU A 60 0.096 -1.366 4.739 1.00 0.00 O ATOM 1009 CB LEU A 60 1.488 -2.294 1.811 1.00 0.00 C ATOM 1010 CG LEU A 60 0.423 -1.353 1.233 1.00 0.00 C ATOM 1011 CD1 LEU A 60 0.999 0.045 1.038 1.00 0.00 C ATOM 1012 CD2 LEU A 60 -0.038 -1.851 -0.134 1.00 0.00 C ATOM 0 H LEU A 60 3.389 -3.368 2.825 1.00 0.00 H new ATOM 0 HA LEU A 60 2.060 -0.912 3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.377 -2.245 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.117 -3.318 1.759 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.411 -1.328 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.231 0.701 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.336 0.437 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.843 -0.002 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.794 -1.174 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.813 -1.886 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.463 -2.850 -0.033 1.00 0.00 H new ATOM 1024 N SER A 61 0.696 -3.529 4.787 1.00 0.00 N ATOM 1025 CA SER A 61 -0.134 -3.917 5.941 1.00 0.00 C ATOM 1026 C SER A 61 0.124 -3.062 7.181 1.00 0.00 C ATOM 1027 O SER A 61 -0.791 -2.712 7.929 1.00 0.00 O ATOM 1028 CB SER A 61 0.042 -5.409 6.254 1.00 0.00 C ATOM 1029 OG SER A 61 -0.755 -5.817 7.347 1.00 0.00 O ATOM 0 H SER A 61 1.212 -4.312 4.386 1.00 0.00 H new ATOM 0 HA SER A 61 -1.170 -3.734 5.657 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.220 -5.997 5.375 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.090 -5.612 6.473 1.00 0.00 H new ATOM 0 HG SER A 61 -1.527 -5.219 7.430 1.00 0.00 H new ATOM 1035 N LYS A 62 1.372 -2.630 7.343 1.00 0.00 N ATOM 1036 CA LYS A 62 1.859 -1.878 8.502 1.00 0.00 C ATOM 1037 C LYS A 62 1.976 -0.366 8.276 1.00 0.00 C ATOM 1038 O LYS A 62 1.885 0.388 9.244 1.00 0.00 O ATOM 1039 CB LYS A 62 3.174 -2.491 9.010 1.00 0.00 C ATOM 1040 CG LYS A 62 2.946 -3.891 9.601 1.00 0.00 C ATOM 1041 CD LYS A 62 4.243 -4.446 10.197 1.00 0.00 C ATOM 1042 CE LYS A 62 3.993 -5.826 10.815 1.00 0.00 C ATOM 1043 NZ LYS A 62 5.214 -6.362 11.474 1.00 0.00 N ATOM 0 H LYS A 62 2.099 -2.799 6.648 1.00 0.00 H new ATOM 0 HA LYS A 62 1.097 -1.972 9.275 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.890 -2.552 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.612 -1.841 9.768 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.177 -3.845 10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.580 -4.563 8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.006 -4.519 9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.624 -3.763 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.186 -5.757 11.544 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.664 -6.518 10.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.007 -7.297 11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.977 -6.451 10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.513 -5.714 12.230 1.00 0.00 H new ATOM 1057 N LYS A 63 2.093 0.102 7.024 1.00 0.00 N ATOM 1058 CA LYS A 63 2.086 1.528 6.658 1.00 0.00 C ATOM 1059 C LYS A 63 0.729 2.170 6.962 1.00 0.00 C ATOM 1060 O LYS A 63 0.672 3.309 7.420 1.00 0.00 O ATOM 1061 CB LYS A 63 2.407 1.645 5.157 1.00 0.00 C ATOM 1062 CG LYS A 63 3.872 1.379 4.779 1.00 0.00 C ATOM 1063 CD LYS A 63 4.813 2.551 5.081 1.00 0.00 C ATOM 1064 CE LYS A 63 6.163 2.315 4.394 1.00 0.00 C ATOM 1065 NZ LYS A 63 7.116 3.425 4.658 1.00 0.00 N ATOM 0 H LYS A 63 2.198 -0.515 6.218 1.00 0.00 H new ATOM 0 HA LYS A 63 2.836 2.056 7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.775 0.945 4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.138 2.646 4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.221 0.497 5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.926 1.147 3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.373 3.484 4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.953 2.650 6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.591 1.376 4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.012 2.213 3.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.018 3.230 4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.718 4.317 4.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.280 3.506 5.682 1.00 0.00 H new ATOM 1079 N LEU A 64 -0.352 1.421 6.723 1.00 0.00 N ATOM 1080 CA LEU A 64 -1.743 1.893 6.807 1.00 0.00 C ATOM 1081 C LEU A 64 -2.550 1.284 7.966 1.00 0.00 C ATOM 1082 O LEU A 64 -3.721 1.630 8.138 1.00 0.00 O ATOM 1083 CB LEU A 64 -2.413 1.633 5.448 1.00 0.00 C ATOM 1084 CG LEU A 64 -1.734 2.415 4.308 1.00 0.00 C ATOM 1085 CD1 LEU A 64 -1.043 1.512 3.295 1.00 0.00 C ATOM 1086 CD2 LEU A 64 -2.747 3.236 3.542 1.00 0.00 C ATOM 0 H LEU A 64 -0.284 0.439 6.457 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.725 2.959 7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.379 0.566 5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.465 1.914 5.503 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.991 3.046 4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.584 2.122 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.274 0.924 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.776 0.842 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.245 3.780 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.502 2.576 3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.226 3.945 4.217 1.00 0.00 H new ATOM 1098 N ASN A 65 -1.934 0.405 8.766 1.00 0.00 N ATOM 1099 CA ASN A 65 -2.575 -0.388 9.826 1.00 0.00 C ATOM 1100 C ASN A 65 -3.745 -1.254 9.297 1.00 0.00 C ATOM 1101 O ASN A 65 -4.834 -1.283 9.880 1.00 0.00 O ATOM 1102 CB ASN A 65 -2.947 0.501 11.033 1.00 0.00 C ATOM 1103 CG ASN A 65 -1.825 1.418 11.490 1.00 0.00 C ATOM 1104 OD1 ASN A 65 -0.922 1.025 12.215 1.00 0.00 O ATOM 1105 ND2 ASN A 65 -1.844 2.667 11.076 1.00 0.00 N ATOM 0 H ASN A 65 -0.934 0.218 8.691 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.846 -1.111 10.191 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.815 1.107 10.772 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.243 -0.138 11.865 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.104 3.310 11.360 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.598 2.992 10.471 1.00 0.00 H new ATOM 1112 N ILE A 66 -3.525 -1.934 8.167 1.00 0.00 N ATOM 1113 CA ILE A 66 -4.495 -2.806 7.483 1.00 0.00 C ATOM 1114 C ILE A 66 -4.166 -4.294 7.712 1.00 0.00 C ATOM 1115 O ILE A 66 -3.384 -4.637 8.600 1.00 0.00 O ATOM 1116 CB ILE A 66 -4.605 -2.406 5.990 1.00 0.00 C ATOM 1117 CG1 ILE A 66 -3.263 -2.446 5.225 1.00 0.00 C ATOM 1118 CG2 ILE A 66 -5.326 -1.058 5.877 1.00 0.00 C ATOM 1119 CD1 ILE A 66 -3.288 -1.879 3.800 1.00 0.00 C ATOM 0 H ILE A 66 -2.629 -1.892 7.681 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.485 -2.663 7.916 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.203 -3.165 5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.521 -1.894 5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.924 -3.481 5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.405 -0.774 4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.325 -1.142 6.306 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.762 -0.297 6.417 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.294 -1.958 3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.999 -2.443 3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.589 -0.832 3.830 1.00 0.00 H new ATOM 1131 N THR A 67 -4.789 -5.192 6.942 1.00 0.00 N ATOM 1132 CA THR A 67 -4.390 -6.605 6.838 1.00 0.00 C ATOM 1133 C THR A 67 -3.462 -6.823 5.642 1.00 0.00 C ATOM 1134 O THR A 67 -3.472 -6.040 4.690 1.00 0.00 O ATOM 1135 CB THR A 67 -5.607 -7.540 6.726 1.00 0.00 C ATOM 1136 OG1 THR A 67 -6.278 -7.323 5.503 1.00 0.00 O ATOM 1137 CG2 THR A 67 -6.610 -7.346 7.861 1.00 0.00 C ATOM 0 H THR A 67 -5.596 -4.957 6.364 1.00 0.00 H new ATOM 0 HA THR A 67 -3.857 -6.851 7.756 1.00 0.00 H new ATOM 0 HB THR A 67 -5.217 -8.556 6.783 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.049 -7.924 5.442 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.446 -8.032 7.729 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.123 -7.547 8.815 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.977 -6.320 7.850 1.00 0.00 H new ATOM 1145 N VAL A 68 -2.714 -7.932 5.623 1.00 0.00 N ATOM 1146 CA VAL A 68 -1.933 -8.340 4.436 1.00 0.00 C ATOM 1147 C VAL A 68 -2.851 -8.607 3.238 1.00 0.00 C ATOM 1148 O VAL A 68 -2.455 -8.372 2.102 1.00 0.00 O ATOM 1149 CB VAL A 68 -1.047 -9.570 4.741 1.00 0.00 C ATOM 1150 CG1 VAL A 68 -0.235 -10.041 3.524 1.00 0.00 C ATOM 1151 CG2 VAL A 68 -0.038 -9.255 5.854 1.00 0.00 C ATOM 0 H VAL A 68 -2.629 -8.569 6.415 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.272 -7.513 4.175 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.741 -10.356 5.040 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.367 -10.907 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.915 -10.315 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.420 -9.236 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.574 -10.136 6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.603 -8.430 5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.573 -8.975 6.761 1.00 0.00 H new ATOM 1161 N GLU A 69 -4.105 -9.015 3.452 1.00 0.00 N ATOM 1162 CA GLU A 69 -5.032 -9.379 2.382 1.00 0.00 C ATOM 1163 C GLU A 69 -5.591 -8.125 1.710 1.00 0.00 C ATOM 1164 O GLU A 69 -5.642 -8.075 0.479 1.00 0.00 O ATOM 1165 CB GLU A 69 -6.164 -10.258 2.937 1.00 0.00 C ATOM 1166 CG GLU A 69 -5.654 -11.616 3.440 1.00 0.00 C ATOM 1167 CD GLU A 69 -6.817 -12.484 3.957 1.00 0.00 C ATOM 1168 OE1 GLU A 69 -7.437 -13.221 3.151 1.00 0.00 O ATOM 1169 OE2 GLU A 69 -7.114 -12.444 5.177 1.00 0.00 O ATOM 0 H GLU A 69 -4.508 -9.102 4.385 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.492 -9.953 1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.661 -9.734 3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.911 -10.418 2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.138 -12.136 2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.927 -11.463 4.238 1.00 0.00 H new ATOM 1176 N LYS A 70 -5.914 -7.076 2.492 1.00 0.00 N ATOM 1177 CA LYS A 70 -6.374 -5.797 1.955 1.00 0.00 C ATOM 1178 C LYS A 70 -5.246 -4.792 1.706 1.00 0.00 C ATOM 1179 O LYS A 70 -5.505 -3.650 1.358 1.00 0.00 O ATOM 1180 CB LYS A 70 -7.653 -5.298 2.658 1.00 0.00 C ATOM 1181 CG LYS A 70 -7.506 -4.351 3.860 1.00 0.00 C ATOM 1182 CD LYS A 70 -7.519 -2.857 3.468 1.00 0.00 C ATOM 1183 CE LYS A 70 -8.338 -1.979 4.424 1.00 0.00 C ATOM 1184 NZ LYS A 70 -9.803 -2.124 4.199 1.00 0.00 N ATOM 0 H LYS A 70 -5.861 -7.100 3.510 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.718 -5.959 0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.267 -4.794 1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.211 -6.173 2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.316 -4.541 4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.574 -4.575 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.494 -2.489 3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.923 -2.758 2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.101 -2.246 5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.053 -0.935 4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.319 -1.514 4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.034 -1.845 3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.081 -3.115 4.350 1.00 0.00 H new ATOM 1198 N ALA A 71 -3.997 -5.242 1.835 1.00 0.00 N ATOM 1199 CA ALA A 71 -2.808 -4.618 1.261 1.00 0.00 C ATOM 1200 C ALA A 71 -2.427 -5.256 -0.088 1.00 0.00 C ATOM 1201 O ALA A 71 -2.121 -4.560 -1.056 1.00 0.00 O ATOM 1202 CB ALA A 71 -1.666 -4.769 2.272 1.00 0.00 C ATOM 0 H ALA A 71 -3.779 -6.086 2.364 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.008 -3.565 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.762 -4.311 1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.939 -4.276 3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.484 -5.827 2.460 1.00 0.00 H new ATOM 1208 N LYS A 72 -2.456 -6.592 -0.165 1.00 0.00 N ATOM 1209 CA LYS A 72 -2.018 -7.373 -1.321 1.00 0.00 C ATOM 1210 C LYS A 72 -3.017 -7.287 -2.460 1.00 0.00 C ATOM 1211 O LYS A 72 -2.606 -7.317 -3.617 1.00 0.00 O ATOM 1212 CB LYS A 72 -1.810 -8.824 -0.849 1.00 0.00 C ATOM 1213 CG LYS A 72 -1.325 -9.801 -1.927 1.00 0.00 C ATOM 1214 CD LYS A 72 -1.124 -11.213 -1.344 1.00 0.00 C ATOM 1215 CE LYS A 72 0.087 -11.357 -0.406 1.00 0.00 C ATOM 1216 NZ LYS A 72 1.382 -11.339 -1.141 1.00 0.00 N ATOM 0 H LYS A 72 -2.796 -7.174 0.601 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.083 -6.974 -1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.089 -8.823 -0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.751 -9.195 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.050 -9.839 -2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.388 -9.443 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.024 -11.497 -0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.014 -11.919 -2.167 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.076 -10.547 0.324 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.002 -12.290 0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.166 -11.439 -0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.407 -12.127 -1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.478 -10.439 -1.652 1.00 0.00 H new ATOM 1230 N ASN A 73 -4.305 -7.107 -2.157 1.00 0.00 N ATOM 1231 CA ASN A 73 -5.317 -6.942 -3.194 1.00 0.00 C ATOM 1232 C ASN A 73 -4.976 -5.780 -4.152 1.00 0.00 C ATOM 1233 O ASN A 73 -5.045 -5.976 -5.364 1.00 0.00 O ATOM 1234 CB ASN A 73 -6.727 -6.847 -2.575 1.00 0.00 C ATOM 1235 CG ASN A 73 -6.957 -5.650 -1.666 1.00 0.00 C ATOM 1236 OD1 ASN A 73 -6.052 -4.923 -1.297 1.00 0.00 O ATOM 1237 ND2 ASN A 73 -8.181 -5.413 -1.260 1.00 0.00 N ATOM 0 H ASN A 73 -4.667 -7.072 -1.204 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.318 -7.834 -3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.459 -6.816 -3.382 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.918 -7.757 -2.006 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.369 -4.625 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.945 -6.017 -1.564 1.00 0.00 H new ATOM 1244 N TYR A 74 -4.509 -4.629 -3.648 1.00 0.00 N ATOM 1245 CA TYR A 74 -4.060 -3.469 -4.431 1.00 0.00 C ATOM 1246 C TYR A 74 -2.906 -3.815 -5.376 1.00 0.00 C ATOM 1247 O TYR A 74 -2.912 -3.445 -6.551 1.00 0.00 O ATOM 1248 CB TYR A 74 -3.576 -2.359 -3.482 1.00 0.00 C ATOM 1249 CG TYR A 74 -4.545 -1.891 -2.415 1.00 0.00 C ATOM 1250 CD1 TYR A 74 -5.886 -1.597 -2.740 1.00 0.00 C ATOM 1251 CD2 TYR A 74 -4.078 -1.714 -1.095 1.00 0.00 C ATOM 1252 CE1 TYR A 74 -6.777 -1.168 -1.738 1.00 0.00 C ATOM 1253 CE2 TYR A 74 -4.955 -1.220 -0.110 1.00 0.00 C ATOM 1254 CZ TYR A 74 -6.317 -0.994 -0.415 1.00 0.00 C ATOM 1255 OH TYR A 74 -7.184 -0.625 0.568 1.00 0.00 O ATOM 0 H TYR A 74 -4.431 -4.474 -2.643 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.912 -3.141 -5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.670 -2.709 -2.986 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.296 -1.496 -4.086 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.229 -1.701 -3.759 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.056 -1.955 -0.842 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.811 -0.972 -1.981 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.585 -1.013 0.883 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.702 -0.551 1.418 1.00 0.00 H new ATOM 1265 N ILE A 75 -1.933 -4.570 -4.869 1.00 0.00 N ATOM 1266 CA ILE A 75 -0.745 -5.019 -5.606 1.00 0.00 C ATOM 1267 C ILE A 75 -1.151 -6.038 -6.695 1.00 0.00 C ATOM 1268 O ILE A 75 -0.499 -6.135 -7.735 1.00 0.00 O ATOM 1269 CB ILE A 75 0.310 -5.549 -4.594 1.00 0.00 C ATOM 1270 CG1 ILE A 75 0.652 -4.467 -3.530 1.00 0.00 C ATOM 1271 CG2 ILE A 75 1.600 -5.988 -5.310 1.00 0.00 C ATOM 1272 CD1 ILE A 75 1.556 -4.937 -2.381 1.00 0.00 C ATOM 0 H ILE A 75 -1.947 -4.898 -3.903 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.277 -4.192 -6.140 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.127 -6.415 -4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.136 -3.629 -4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.279 -4.091 -3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.318 -6.353 -4.575 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.370 -6.783 -6.019 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.027 -5.139 -5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.734 -4.108 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.070 -5.753 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.507 -5.284 -2.785 1.00 0.00 H new ATOM 1284 N LYS A 76 -2.278 -6.742 -6.523 1.00 0.00 N ATOM 1285 CA LYS A 76 -2.788 -7.746 -7.469 1.00 0.00 C ATOM 1286 C LYS A 76 -3.801 -7.237 -8.506 1.00 0.00 C ATOM 1287 O LYS A 76 -3.868 -7.835 -9.578 1.00 0.00 O ATOM 1288 CB LYS A 76 -3.344 -8.937 -6.668 1.00 0.00 C ATOM 1289 CG LYS A 76 -2.284 -9.749 -5.903 1.00 0.00 C ATOM 1290 CD LYS A 76 -1.335 -10.523 -6.832 1.00 0.00 C ATOM 1291 CE LYS A 76 -0.423 -11.448 -6.018 1.00 0.00 C ATOM 1292 NZ LYS A 76 0.476 -12.240 -6.900 1.00 0.00 N ATOM 0 H LYS A 76 -2.875 -6.627 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.940 -8.048 -8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.081 -8.566 -5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.869 -9.604 -7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.700 -9.075 -5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.784 -10.452 -5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.914 -11.109 -7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.731 -9.823 -7.409 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.175 -10.855 -5.326 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.031 -12.123 -5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.080 -12.855 -6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.095 -12.824 -7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.073 -11.595 -7.456 1.00 0.00 H new ATOM 1306 N ASN A 77 -4.554 -6.155 -8.254 1.00 0.00 N ATOM 1307 CA ASN A 77 -5.476 -5.574 -9.244 1.00 0.00 C ATOM 1308 C ASN A 77 -4.930 -4.303 -9.900 1.00 0.00 C ATOM 1309 O ASN A 77 -5.140 -4.094 -11.095 1.00 0.00 O ATOM 1310 CB ASN A 77 -6.866 -5.320 -8.636 1.00 0.00 C ATOM 1311 CG ASN A 77 -6.987 -4.100 -7.739 1.00 0.00 C ATOM 1312 OD1 ASN A 77 -7.213 -2.989 -8.182 1.00 0.00 O ATOM 1313 ND2 ASN A 77 -6.850 -4.244 -6.451 1.00 0.00 N ATOM 0 H ASN A 77 -4.542 -5.660 -7.362 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.574 -6.317 -10.035 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.584 -5.221 -9.450 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.156 -6.200 -8.061 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.933 -3.435 -5.836 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.660 -5.166 -6.058 1.00 0.00 H new ATOM 1597 N GLU A 95 -11.449 -1.794 -30.850 1.00 0.00 N ATOM 1598 CA GLU A 95 -12.604 -2.656 -30.547 1.00 0.00 C ATOM 1599 C GLU A 95 -13.299 -2.290 -29.215 1.00 0.00 C ATOM 1600 O GLU A 95 -12.648 -1.894 -28.244 1.00 0.00 O ATOM 1601 CB GLU A 95 -12.139 -4.121 -30.593 1.00 0.00 C ATOM 1602 CG GLU A 95 -13.294 -5.111 -30.773 1.00 0.00 C ATOM 1603 CD GLU A 95 -12.763 -6.543 -30.985 1.00 0.00 C ATOM 1604 OE1 GLU A 95 -12.749 -7.025 -32.145 1.00 0.00 O ATOM 1605 OE2 GLU A 95 -12.352 -7.201 -29.997 1.00 0.00 O ATOM 0 HA GLU A 95 -13.374 -2.498 -31.303 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.430 -4.246 -31.412 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.606 -4.356 -29.672 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.941 -5.085 -29.896 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.903 -4.814 -31.627 1.00 0.00 H new ATOM 1612 N GLU A 96 -14.629 -2.427 -29.155 1.00 0.00 N ATOM 1613 CA GLU A 96 -15.473 -2.016 -28.017 1.00 0.00 C ATOM 1614 C GLU A 96 -15.976 -3.226 -27.215 1.00 0.00 C ATOM 1615 O GLU A 96 -16.955 -3.879 -27.588 1.00 0.00 O ATOM 1616 CB GLU A 96 -16.635 -1.135 -28.513 1.00 0.00 C ATOM 1617 CG GLU A 96 -16.162 0.199 -29.106 1.00 0.00 C ATOM 1618 CD GLU A 96 -17.360 1.051 -29.571 1.00 0.00 C ATOM 1619 OE1 GLU A 96 -17.862 1.887 -28.780 1.00 0.00 O ATOM 1620 OE2 GLU A 96 -17.807 0.898 -30.736 1.00 0.00 O ATOM 0 H GLU A 96 -15.167 -2.839 -29.917 1.00 0.00 H new ATOM 0 HA GLU A 96 -14.863 -1.425 -27.334 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -17.202 -1.681 -29.267 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -17.314 -0.938 -27.684 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.587 0.749 -28.361 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.496 0.011 -29.948 1.00 0.00 H new ATOM 1627 N VAL A 97 -15.285 -3.527 -26.108 1.00 0.00 N ATOM 1628 CA VAL A 97 -15.454 -4.731 -25.289 1.00 0.00 C ATOM 1629 C VAL A 97 -15.487 -4.441 -23.775 1.00 0.00 C ATOM 1630 O VAL A 97 -15.022 -5.239 -22.956 1.00 0.00 O ATOM 1631 CB VAL A 97 -14.359 -5.751 -25.663 1.00 0.00 C ATOM 1632 CG1 VAL A 97 -14.622 -6.390 -27.029 1.00 0.00 C ATOM 1633 CG2 VAL A 97 -12.937 -5.165 -25.649 1.00 0.00 C ATOM 0 H VAL A 97 -14.560 -2.909 -25.744 1.00 0.00 H new ATOM 0 HA VAL A 97 -16.434 -5.155 -25.509 1.00 0.00 H new ATOM 0 HB VAL A 97 -14.411 -6.511 -24.884 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -13.829 -7.102 -27.256 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -15.581 -6.908 -27.010 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -14.644 -5.615 -27.795 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -12.221 -5.940 -25.922 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -12.874 -4.345 -26.365 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -12.706 -4.794 -24.651 1.00 0.00 H new ATOM 1643 N SER A 98 -16.006 -3.270 -23.398 1.00 0.00 N ATOM 1644 CA SER A 98 -15.802 -2.669 -22.066 1.00 0.00 C ATOM 1645 C SER A 98 -17.101 -2.187 -21.406 1.00 0.00 C ATOM 1646 O SER A 98 -17.491 -2.713 -20.360 1.00 0.00 O ATOM 1647 CB SER A 98 -14.787 -1.525 -22.175 1.00 0.00 C ATOM 1648 OG SER A 98 -13.512 -2.016 -22.563 1.00 0.00 O ATOM 0 H SER A 98 -16.588 -2.701 -24.013 1.00 0.00 H new ATOM 0 HA SER A 98 -15.415 -3.452 -21.414 1.00 0.00 H new ATOM 0 HB2 SER A 98 -15.136 -0.792 -22.902 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.707 -1.011 -21.217 1.00 0.00 H new ATOM 0 HG SER A 98 -12.880 -1.270 -22.628 1.00 0.00 H new ATOM 1654 N SER A 99 -17.803 -1.220 -22.011 1.00 0.00 N ATOM 1655 CA SER A 99 -19.116 -0.734 -21.541 1.00 0.00 C ATOM 1656 C SER A 99 -20.274 -1.666 -21.929 1.00 0.00 C ATOM 1657 O SER A 99 -21.304 -1.702 -21.252 1.00 0.00 O ATOM 1658 CB SER A 99 -19.368 0.678 -22.082 1.00 0.00 C ATOM 1659 OG SER A 99 -19.254 0.695 -23.498 1.00 0.00 O ATOM 0 H SER A 99 -17.475 -0.744 -22.852 1.00 0.00 H new ATOM 0 HA SER A 99 -19.082 -0.717 -20.452 1.00 0.00 H new ATOM 0 HB2 SER A 99 -20.362 1.015 -21.787 1.00 0.00 H new ATOM 0 HB3 SER A 99 -18.652 1.375 -21.645 1.00 0.00 H new ATOM 0 HG SER A 99 -19.419 1.603 -23.829 1.00 0.00 H new ATOM 1665 N MET A 100 -20.080 -2.461 -22.987 1.00 0.00 N ATOM 1666 CA MET A 100 -20.930 -3.575 -23.416 1.00 0.00 C ATOM 1667 C MET A 100 -20.044 -4.781 -23.762 1.00 0.00 C ATOM 1668 O MET A 100 -18.973 -4.622 -24.352 1.00 0.00 O ATOM 1669 CB MET A 100 -21.785 -3.168 -24.629 1.00 0.00 C ATOM 1670 CG MET A 100 -22.777 -2.042 -24.308 1.00 0.00 C ATOM 1671 SD MET A 100 -23.894 -1.587 -25.668 1.00 0.00 S ATOM 1672 CE MET A 100 -22.721 -0.815 -26.819 1.00 0.00 C ATOM 0 H MET A 100 -19.277 -2.336 -23.603 1.00 0.00 H new ATOM 0 HA MET A 100 -21.607 -3.844 -22.605 1.00 0.00 H new ATOM 0 HB2 MET A 100 -21.129 -2.848 -25.439 1.00 0.00 H new ATOM 0 HB3 MET A 100 -22.334 -4.038 -24.989 1.00 0.00 H new ATOM 0 HG2 MET A 100 -23.378 -2.342 -23.450 1.00 0.00 H new ATOM 0 HG3 MET A 100 -22.214 -1.157 -24.009 1.00 0.00 H new ATOM 0 HE1 MET A 100 -23.266 -0.386 -27.660 1.00 0.00 H new ATOM 0 HE2 MET A 100 -22.170 -0.028 -26.304 1.00 0.00 H new ATOM 0 HE3 MET A 100 -22.022 -1.567 -27.185 1.00 0.00 H new ATOM 1682 N GLU A 101 -20.482 -5.990 -23.398 1.00 0.00 N ATOM 1683 CA GLU A 101 -19.742 -7.241 -23.646 1.00 0.00 C ATOM 1684 C GLU A 101 -20.679 -8.440 -23.942 1.00 0.00 C ATOM 1685 O GLU A 101 -20.330 -9.597 -23.695 1.00 0.00 O ATOM 1686 CB GLU A 101 -18.791 -7.527 -22.463 1.00 0.00 C ATOM 1687 CG GLU A 101 -17.534 -8.288 -22.914 1.00 0.00 C ATOM 1688 CD GLU A 101 -16.833 -9.006 -21.735 1.00 0.00 C ATOM 1689 OE1 GLU A 101 -16.577 -10.232 -21.844 1.00 0.00 O ATOM 1690 OE2 GLU A 101 -16.519 -8.364 -20.703 1.00 0.00 O ATOM 0 H GLU A 101 -21.370 -6.134 -22.917 1.00 0.00 H new ATOM 0 HA GLU A 101 -19.146 -7.107 -24.549 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -18.499 -6.587 -21.996 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -19.317 -8.109 -21.706 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -17.807 -9.021 -23.673 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.837 -7.592 -23.380 1.00 0.00 H new ATOM 1697 N ALA A 102 -21.901 -8.183 -24.427 1.00 0.00 N ATOM 1698 CA ALA A 102 -22.923 -9.216 -24.626 1.00 0.00 C ATOM 1699 C ALA A 102 -22.522 -10.245 -25.702 1.00 0.00 C ATOM 1700 O ALA A 102 -22.190 -9.884 -26.837 1.00 0.00 O ATOM 1701 CB ALA A 102 -24.264 -8.551 -24.959 1.00 0.00 C ATOM 0 H ALA A 102 -22.209 -7.248 -24.693 1.00 0.00 H new ATOM 0 HA ALA A 102 -23.021 -9.777 -23.697 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -25.024 -9.318 -25.107 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -24.561 -7.900 -24.137 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -24.161 -7.961 -25.870 1.00 0.00 H new ATOM 1707 N LYS A 103 -22.582 -11.533 -25.337 1.00 0.00 N ATOM 1708 CA LYS A 103 -22.207 -12.697 -26.162 1.00 0.00 C ATOM 1709 C LYS A 103 -23.219 -13.838 -25.986 1.00 0.00 C ATOM 1710 O LYS A 103 -23.763 -14.030 -24.897 1.00 0.00 O ATOM 1711 CB LYS A 103 -20.781 -13.155 -25.788 1.00 0.00 C ATOM 1712 CG LYS A 103 -19.695 -12.213 -26.341 1.00 0.00 C ATOM 1713 CD LYS A 103 -18.293 -12.506 -25.791 1.00 0.00 C ATOM 1714 CE LYS A 103 -18.179 -12.020 -24.343 1.00 0.00 C ATOM 1715 NZ LYS A 103 -16.787 -12.111 -23.838 1.00 0.00 N ATOM 0 H LYS A 103 -22.910 -11.809 -24.411 1.00 0.00 H new ATOM 0 HA LYS A 103 -22.219 -12.409 -27.213 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -20.693 -13.208 -24.703 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -20.614 -14.162 -26.171 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -19.674 -12.294 -27.428 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -19.962 -11.184 -26.103 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -18.092 -13.576 -25.840 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -17.542 -12.012 -26.408 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -18.522 -10.987 -24.278 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -18.836 -12.614 -23.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.679 -11.496 -23.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.578 -13.094 -23.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.127 -11.806 -24.582 1.00 0.00 H new