USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 812 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 LYS NZ :NH3+ 127:sc= 0.0268 (180deg=0) USER MOD Set 1.2: A 59 HIS : no HD1:sc= 0.00958 K(o=0.036,f=-0.96) USER MOD Set 1.3: A 83 LYS NZ :NH3+ -151:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -2.12 X(o=-2.1,f=-2.2) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0575 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= -0.25 (180deg=-1.24) USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0415) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= -0.0495 (180deg=-0.294) USER MOD Single : A 50 MET CE :methyl -155:sc= -4.77! (180deg=-7.17!) USER MOD Single : A 54 SER OG : rot 180:sc=0.000237 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.38! K(o=-2.4!,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.103 K(o=-0.1,f=-0.87) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 33:sc= 1.11 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -163:sc= -4.56 (180deg=-6.7!) USER MOD Single : A 78 GLN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.0311 X(o=-0.031,f=0) USER MOD Single : A 90 TYR OH : rot 36:sc= 1.17 USER MOD Single : A 92 CYS SG : rot 170:sc= -4.42! USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00442 USER MOD Single : A 96 TYR OH : rot 30:sc= 0.854 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 69:sc= -2.99 USER MOD Single : A 104 SER OG : rot 19:sc= 0.0939 USER MOD Single : A 110 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-3.5!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N ILE A 11 10.925 4.400 -0.684 1.00 0.00 N ATOM 125 CA ILE A 11 11.068 5.339 -1.790 1.00 0.00 C ATOM 126 C ILE A 11 9.765 6.091 -2.044 1.00 0.00 C ATOM 127 O ILE A 11 9.637 7.264 -1.697 1.00 0.00 O ATOM 128 CB ILE A 11 11.495 4.623 -3.085 1.00 0.00 C ATOM 129 CG1 ILE A 11 12.860 3.958 -2.899 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.531 5.605 -4.246 1.00 0.00 C ATOM 131 CD1 ILE A 11 13.912 4.887 -2.333 1.00 0.00 C ATOM 0 HA ILE A 11 11.845 6.048 -1.504 1.00 0.00 H new ATOM 0 HB ILE A 11 10.763 3.848 -3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.750 3.100 -2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.203 3.576 -3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.834 5.084 -5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.540 6.036 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.244 6.400 -4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.854 4.349 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.051 5.733 -3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.590 5.249 -1.357 1.00 0.00 H new ATOM 143 N GLU A 12 8.801 5.405 -2.651 1.00 0.00 N ATOM 144 CA GLU A 12 7.508 6.009 -2.950 1.00 0.00 C ATOM 145 C GLU A 12 6.415 5.421 -2.063 1.00 0.00 C ATOM 146 O GLU A 12 6.424 4.229 -1.754 1.00 0.00 O ATOM 147 CB GLU A 12 7.152 5.800 -4.424 1.00 0.00 C ATOM 148 CG GLU A 12 6.309 6.920 -5.011 1.00 0.00 C ATOM 149 CD GLU A 12 7.149 8.073 -5.526 1.00 0.00 C ATOM 150 OE1 GLU A 12 8.289 7.824 -5.971 1.00 0.00 O ATOM 151 OE2 GLU A 12 6.666 9.224 -5.484 1.00 0.00 O ATOM 0 H GLU A 12 8.891 4.432 -2.945 1.00 0.00 H new ATOM 0 HA GLU A 12 7.579 7.078 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.072 5.708 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.614 4.858 -4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.703 6.525 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.620 7.288 -4.251 1.00 0.00 H new ATOM 158 N LYS A 13 5.474 6.266 -1.655 1.00 0.00 N ATOM 159 CA LYS A 13 4.372 5.832 -0.804 1.00 0.00 C ATOM 160 C LYS A 13 3.064 5.791 -1.586 1.00 0.00 C ATOM 161 O LYS A 13 2.777 6.661 -2.410 1.00 0.00 O ATOM 162 CB LYS A 13 4.231 6.769 0.398 1.00 0.00 C ATOM 163 CG LYS A 13 5.375 6.660 1.392 1.00 0.00 C ATOM 164 CD LYS A 13 5.084 5.626 2.466 1.00 0.00 C ATOM 165 CE LYS A 13 6.193 5.575 3.506 1.00 0.00 C ATOM 166 NZ LYS A 13 5.987 6.580 4.586 1.00 0.00 N ATOM 0 H LYS A 13 5.452 7.256 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 13 4.594 4.825 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.168 7.797 0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.294 6.551 0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.291 6.391 0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.548 7.630 1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.138 5.862 2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.970 4.644 2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.236 4.577 3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.153 5.753 3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.763 6.514 5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.971 7.535 4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.083 6.395 5.065 1.00 0.00 H new ATOM 180 N PRO A 14 2.248 4.759 -1.324 1.00 0.00 N ATOM 181 CA PRO A 14 0.956 4.581 -1.992 1.00 0.00 C ATOM 182 C PRO A 14 -0.068 5.626 -1.561 1.00 0.00 C ATOM 183 O PRO A 14 -0.892 5.374 -0.682 1.00 0.00 O ATOM 184 CB PRO A 14 0.515 3.185 -1.547 1.00 0.00 C ATOM 185 CG PRO A 14 1.210 2.965 -0.248 1.00 0.00 C ATOM 186 CD PRO A 14 2.526 3.686 -0.355 1.00 0.00 C ATOM 0 HA PRO A 14 1.038 4.692 -3.073 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.567 3.130 -1.431 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.796 2.429 -2.280 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.619 3.353 0.582 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.362 1.902 -0.062 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.845 4.086 0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.319 3.025 -0.704 1.00 0.00 H new ATOM 194 N GLN A 15 -0.010 6.798 -2.185 1.00 0.00 N ATOM 195 CA GLN A 15 -0.933 7.880 -1.865 1.00 0.00 C ATOM 196 C GLN A 15 -2.370 7.481 -2.180 1.00 0.00 C ATOM 197 O GLN A 15 -2.763 7.403 -3.344 1.00 0.00 O ATOM 198 CB GLN A 15 -0.559 9.144 -2.642 1.00 0.00 C ATOM 199 CG GLN A 15 0.693 9.831 -2.121 1.00 0.00 C ATOM 200 CD GLN A 15 1.957 9.317 -2.780 1.00 0.00 C ATOM 201 OE1 GLN A 15 1.980 9.048 -3.981 1.00 0.00 O ATOM 202 NE2 GLN A 15 3.019 9.177 -1.995 1.00 0.00 N ATOM 0 H GLN A 15 0.666 7.022 -2.915 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.858 8.084 -0.797 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.412 8.885 -3.691 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.392 9.846 -2.601 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.611 10.905 -2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.763 9.682 -1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.956 9.412 -1.004 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.898 8.835 -2.383 1.00 0.00 H new ATOM 211 N GLY A 16 -3.153 7.229 -1.135 1.00 0.00 N ATOM 212 CA GLY A 16 -4.538 6.840 -1.322 1.00 0.00 C ATOM 213 C GLY A 16 -5.282 7.777 -2.253 1.00 0.00 C ATOM 214 O GLY A 16 -4.795 8.859 -2.576 1.00 0.00 O ATOM 0 H GLY A 16 -2.852 7.287 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.577 5.827 -1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.040 6.819 -0.355 1.00 0.00 H new ATOM 218 N GLY A 17 -6.467 7.358 -2.689 1.00 0.00 N ATOM 219 CA GLY A 17 -7.260 8.178 -3.586 1.00 0.00 C ATOM 220 C GLY A 17 -8.744 7.895 -3.471 1.00 0.00 C ATOM 221 O GLY A 17 -9.241 7.572 -2.391 1.00 0.00 O ATOM 0 H GLY A 17 -6.891 6.465 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.076 9.230 -3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.938 8.003 -4.613 1.00 0.00 H new ATOM 225 N THR A 18 -9.457 8.017 -4.587 1.00 0.00 N ATOM 226 CA THR A 18 -10.894 7.775 -4.606 1.00 0.00 C ATOM 227 C THR A 18 -11.318 7.090 -5.900 1.00 0.00 C ATOM 228 O THR A 18 -11.280 7.690 -6.974 1.00 0.00 O ATOM 229 CB THR A 18 -11.687 9.087 -4.450 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.159 9.851 -3.359 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.162 8.802 -4.209 1.00 0.00 C ATOM 0 H THR A 18 -9.062 8.282 -5.489 1.00 0.00 H new ATOM 0 HA THR A 18 -11.116 7.122 -3.762 1.00 0.00 H new ATOM 0 HB THR A 18 -11.590 9.657 -5.374 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.667 10.684 -3.267 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.702 9.743 -4.102 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.568 8.245 -5.054 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.275 8.213 -3.299 1.00 0.00 H new ATOM 239 N VAL A 19 -11.724 5.829 -5.790 1.00 0.00 N ATOM 240 CA VAL A 19 -12.158 5.061 -6.952 1.00 0.00 C ATOM 241 C VAL A 19 -13.673 4.891 -6.963 1.00 0.00 C ATOM 242 O VAL A 19 -14.295 4.697 -5.918 1.00 0.00 O ATOM 243 CB VAL A 19 -11.496 3.671 -6.985 1.00 0.00 C ATOM 244 CG1 VAL A 19 -11.913 2.851 -5.775 1.00 0.00 C ATOM 245 CG2 VAL A 19 -11.845 2.947 -8.277 1.00 0.00 C ATOM 0 H VAL A 19 -11.762 5.317 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.852 5.622 -7.835 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.414 3.802 -6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.435 1.872 -5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.608 3.366 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.996 2.726 -5.776 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.369 1.966 -8.284 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.926 2.826 -8.346 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.490 3.529 -9.128 1.00 0.00 H new ATOM 255 N LYS A 20 -14.262 4.964 -8.152 1.00 0.00 N ATOM 256 CA LYS A 20 -15.705 4.816 -8.301 1.00 0.00 C ATOM 257 C LYS A 20 -16.124 3.359 -8.127 1.00 0.00 C ATOM 258 O LYS A 20 -15.338 2.444 -8.372 1.00 0.00 O ATOM 259 CB LYS A 20 -16.151 5.325 -9.674 1.00 0.00 C ATOM 260 CG LYS A 20 -17.637 5.627 -9.757 1.00 0.00 C ATOM 261 CD LYS A 20 -18.006 6.846 -8.928 1.00 0.00 C ATOM 262 CE LYS A 20 -17.513 8.131 -9.576 1.00 0.00 C ATOM 263 NZ LYS A 20 -18.539 8.726 -10.476 1.00 0.00 N ATOM 0 H LYS A 20 -13.762 5.125 -9.026 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.188 5.410 -7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.591 6.228 -9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.897 4.580 -10.428 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.917 5.795 -10.797 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.205 4.764 -9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.088 6.891 -8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.577 6.752 -7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.248 8.850 -8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.606 7.926 -10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.165 9.600 -10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.773 8.050 -11.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.396 8.945 -9.929 1.00 0.00 H new ATOM 277 N VAL A 21 -17.367 3.152 -7.704 1.00 0.00 N ATOM 278 CA VAL A 21 -17.890 1.807 -7.500 1.00 0.00 C ATOM 279 C VAL A 21 -17.928 1.027 -8.810 1.00 0.00 C ATOM 280 O VAL A 21 -18.548 1.457 -9.782 1.00 0.00 O ATOM 281 CB VAL A 21 -19.306 1.841 -6.895 1.00 0.00 C ATOM 282 CG1 VAL A 21 -19.920 0.450 -6.892 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.270 2.420 -5.488 1.00 0.00 C ATOM 0 H VAL A 21 -18.030 3.899 -7.496 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.217 1.308 -6.803 1.00 0.00 H new ATOM 0 HB VAL A 21 -19.931 2.486 -7.513 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -20.920 0.495 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -19.982 0.077 -7.914 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.299 -0.221 -6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.279 2.437 -5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.630 1.803 -4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -18.875 3.435 -5.522 1.00 0.00 H new ATOM 293 N GLY A 22 -17.262 -0.123 -8.827 1.00 0.00 N ATOM 294 CA GLY A 22 -17.232 -0.945 -10.023 1.00 0.00 C ATOM 295 C GLY A 22 -16.028 -0.654 -10.897 1.00 0.00 C ATOM 296 O GLY A 22 -15.681 -1.450 -11.769 1.00 0.00 O ATOM 0 H GLY A 22 -16.743 -0.500 -8.034 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.224 -1.997 -9.737 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.143 -0.778 -10.598 1.00 0.00 H new ATOM 300 N GLU A 23 -15.392 0.489 -10.664 1.00 0.00 N ATOM 301 CA GLU A 23 -14.222 0.883 -11.439 1.00 0.00 C ATOM 302 C GLU A 23 -12.995 0.079 -11.020 1.00 0.00 C ATOM 303 O GLU A 23 -13.088 -0.830 -10.195 1.00 0.00 O ATOM 304 CB GLU A 23 -13.949 2.379 -11.267 1.00 0.00 C ATOM 305 CG GLU A 23 -14.567 3.240 -12.356 1.00 0.00 C ATOM 306 CD GLU A 23 -14.414 2.633 -13.737 1.00 0.00 C ATOM 307 OE1 GLU A 23 -13.289 2.215 -14.081 1.00 0.00 O ATOM 308 OE2 GLU A 23 -15.421 2.576 -14.474 1.00 0.00 O ATOM 0 H GLU A 23 -15.667 1.158 -9.945 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.428 0.677 -12.489 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.333 2.701 -10.299 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.872 2.544 -11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -15.626 3.385 -12.142 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.101 4.225 -12.343 1.00 0.00 H new ATOM 315 N ASP A 24 -11.846 0.421 -11.593 1.00 0.00 N ATOM 316 CA ASP A 24 -10.600 -0.268 -11.279 1.00 0.00 C ATOM 317 C ASP A 24 -9.496 0.731 -10.948 1.00 0.00 C ATOM 318 O ASP A 24 -9.151 1.584 -11.767 1.00 0.00 O ATOM 319 CB ASP A 24 -10.171 -1.151 -12.452 1.00 0.00 C ATOM 320 CG ASP A 24 -9.850 -0.346 -13.696 1.00 0.00 C ATOM 321 OD1 ASP A 24 -10.479 0.715 -13.894 1.00 0.00 O ATOM 322 OD2 ASP A 24 -8.971 -0.776 -14.471 1.00 0.00 O ATOM 0 H ASP A 24 -11.752 1.171 -12.277 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.771 -0.896 -10.405 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.296 -1.733 -12.164 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.966 -1.862 -12.678 1.00 0.00 H new ATOM 327 N ILE A 25 -8.946 0.620 -9.743 1.00 0.00 N ATOM 328 CA ILE A 25 -7.881 1.513 -9.305 1.00 0.00 C ATOM 329 C ILE A 25 -6.638 0.729 -8.898 1.00 0.00 C ATOM 330 O ILE A 25 -6.730 -0.418 -8.459 1.00 0.00 O ATOM 331 CB ILE A 25 -8.332 2.389 -8.121 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.178 3.272 -7.642 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.847 1.518 -6.984 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.632 4.509 -6.899 1.00 0.00 C ATOM 0 H ILE A 25 -9.221 -0.079 -9.053 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.641 2.156 -10.152 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.144 3.035 -8.455 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.528 2.686 -6.992 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.581 3.574 -8.502 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.162 2.151 -6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.695 0.928 -7.333 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.053 0.850 -6.649 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.762 5.087 -6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.258 5.117 -7.553 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.204 4.215 -6.019 1.00 0.00 H new ATOM 346 N THR A 26 -5.475 1.355 -9.045 1.00 0.00 N ATOM 347 CA THR A 26 -4.213 0.717 -8.693 1.00 0.00 C ATOM 348 C THR A 26 -3.320 1.665 -7.900 1.00 0.00 C ATOM 349 O THR A 26 -3.271 2.864 -8.176 1.00 0.00 O ATOM 350 CB THR A 26 -3.454 0.243 -9.946 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.350 -0.435 -10.834 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.309 -0.685 -9.567 1.00 0.00 C ATOM 0 H THR A 26 -5.381 2.304 -9.406 1.00 0.00 H new ATOM 0 HA THR A 26 -4.458 -0.148 -8.077 1.00 0.00 H new ATOM 0 HB THR A 26 -3.040 1.119 -10.446 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.860 -0.732 -11.629 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.788 -1.007 -10.469 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.614 -0.157 -8.915 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.705 -1.557 -9.046 1.00 0.00 H new ATOM 360 N PHE A 27 -2.615 1.120 -6.914 1.00 0.00 N ATOM 361 CA PHE A 27 -1.723 1.918 -6.081 1.00 0.00 C ATOM 362 C PHE A 27 -0.262 1.621 -6.408 1.00 0.00 C ATOM 363 O PHE A 27 0.071 0.530 -6.872 1.00 0.00 O ATOM 364 CB PHE A 27 -1.992 1.642 -4.600 1.00 0.00 C ATOM 365 CG PHE A 27 -3.412 1.907 -4.189 1.00 0.00 C ATOM 366 CD1 PHE A 27 -4.378 0.921 -4.313 1.00 0.00 C ATOM 367 CD2 PHE A 27 -3.782 3.141 -3.680 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.686 1.161 -3.936 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.088 3.387 -3.301 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.042 2.396 -3.430 1.00 0.00 C ATOM 0 H PHE A 27 -2.644 0.129 -6.672 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.917 2.970 -6.289 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.747 0.602 -4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.326 2.259 -3.997 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.106 -0.046 -4.709 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.041 3.920 -3.578 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.429 0.384 -4.037 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.363 4.353 -2.904 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.064 2.586 -3.136 1.00 0.00 H new ATOM 380 N ILE A 28 0.603 2.599 -6.163 1.00 0.00 N ATOM 381 CA ILE A 28 2.027 2.443 -6.430 1.00 0.00 C ATOM 382 C ILE A 28 2.833 2.445 -5.136 1.00 0.00 C ATOM 383 O ILE A 28 2.560 3.224 -4.223 1.00 0.00 O ATOM 384 CB ILE A 28 2.553 3.560 -7.351 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.916 3.450 -8.738 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.070 3.493 -7.452 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.186 2.128 -9.423 1.00 0.00 C ATOM 0 H ILE A 28 0.343 3.508 -5.780 1.00 0.00 H new ATOM 0 HA ILE A 28 2.150 1.482 -6.930 1.00 0.00 H new ATOM 0 HB ILE A 28 2.279 4.524 -6.922 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.839 3.589 -8.646 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.290 4.259 -9.366 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.427 4.289 -8.106 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.506 3.615 -6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.365 2.527 -7.862 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.705 2.120 -10.401 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.261 1.995 -9.546 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.787 1.315 -8.816 1.00 0.00 H new ATOM 399 N ALA A 29 3.830 1.568 -5.064 1.00 0.00 N ATOM 400 CA ALA A 29 4.679 1.471 -3.883 1.00 0.00 C ATOM 401 C ALA A 29 6.097 1.057 -4.259 1.00 0.00 C ATOM 402 O ALA A 29 6.317 -0.030 -4.794 1.00 0.00 O ATOM 403 CB ALA A 29 4.086 0.487 -2.886 1.00 0.00 C ATOM 0 H ALA A 29 4.069 0.915 -5.810 1.00 0.00 H new ATOM 0 HA ALA A 29 4.728 2.456 -3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.730 0.425 -2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.095 0.827 -2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.007 -0.497 -3.349 1.00 0.00 H new ATOM 409 N LYS A 30 7.058 1.930 -3.978 1.00 0.00 N ATOM 410 CA LYS A 30 8.457 1.655 -4.285 1.00 0.00 C ATOM 411 C LYS A 30 9.292 1.593 -3.011 1.00 0.00 C ATOM 412 O LYS A 30 8.997 2.274 -2.029 1.00 0.00 O ATOM 413 CB LYS A 30 9.015 2.729 -5.222 1.00 0.00 C ATOM 414 CG LYS A 30 8.817 2.415 -6.695 1.00 0.00 C ATOM 415 CD LYS A 30 8.702 3.682 -7.525 1.00 0.00 C ATOM 416 CE LYS A 30 7.263 4.168 -7.604 1.00 0.00 C ATOM 417 NZ LYS A 30 7.153 5.459 -8.338 1.00 0.00 N ATOM 0 H LYS A 30 6.894 2.835 -3.538 1.00 0.00 H new ATOM 0 HA LYS A 30 8.511 0.686 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.536 3.682 -4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.080 2.853 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.654 1.817 -7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.917 1.813 -6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.327 4.462 -7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.080 3.495 -8.530 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.652 3.415 -8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.864 4.288 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.157 5.756 -8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.716 6.185 -7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.510 5.339 -9.307 1.00 0.00 H new ATOM 431 N VAL A 31 10.339 0.773 -3.034 1.00 0.00 N ATOM 432 CA VAL A 31 11.219 0.625 -1.881 1.00 0.00 C ATOM 433 C VAL A 31 12.673 0.479 -2.315 1.00 0.00 C ATOM 434 O VAL A 31 12.975 -0.206 -3.292 1.00 0.00 O ATOM 435 CB VAL A 31 10.824 -0.595 -1.027 1.00 0.00 C ATOM 436 CG1 VAL A 31 10.997 -1.881 -1.821 1.00 0.00 C ATOM 437 CG2 VAL A 31 11.643 -0.635 0.254 1.00 0.00 C ATOM 0 H VAL A 31 10.598 0.202 -3.838 1.00 0.00 H new ATOM 0 HA VAL A 31 11.111 1.529 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 31 9.772 -0.503 -0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.713 -2.732 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.363 -1.850 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.039 -1.984 -2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.351 -1.503 0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.702 -0.704 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.463 0.273 0.829 1.00 0.00 H new ATOM 447 N LYS A 32 13.571 1.127 -1.581 1.00 0.00 N ATOM 448 CA LYS A 32 14.995 1.069 -1.888 1.00 0.00 C ATOM 449 C LYS A 32 15.592 -0.264 -1.450 1.00 0.00 C ATOM 450 O LYS A 32 15.438 -0.677 -0.301 1.00 0.00 O ATOM 451 CB LYS A 32 15.733 2.220 -1.200 1.00 0.00 C ATOM 452 CG LYS A 32 17.065 2.561 -1.846 1.00 0.00 C ATOM 453 CD LYS A 32 16.877 3.331 -3.142 1.00 0.00 C ATOM 454 CE LYS A 32 17.994 3.040 -4.131 1.00 0.00 C ATOM 455 NZ LYS A 32 18.243 4.192 -5.042 1.00 0.00 N ATOM 0 H LYS A 32 13.338 1.699 -0.769 1.00 0.00 H new ATOM 0 HA LYS A 32 15.112 1.163 -2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.097 3.105 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.902 1.959 -0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.665 3.153 -1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.619 1.644 -2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.918 3.067 -3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.847 4.400 -2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.908 2.803 -3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.737 2.160 -4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.012 3.954 -5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 17.378 4.402 -5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.513 5.025 -4.482 1.00 0.00 H new ATOM 469 N ALA A 33 16.276 -0.933 -2.373 1.00 0.00 N ATOM 470 CA ALA A 33 16.898 -2.218 -2.081 1.00 0.00 C ATOM 471 C ALA A 33 18.396 -2.179 -2.364 1.00 0.00 C ATOM 472 O ALA A 33 18.874 -1.325 -3.110 1.00 0.00 O ATOM 473 CB ALA A 33 16.235 -3.323 -2.891 1.00 0.00 C ATOM 0 H ALA A 33 16.413 -0.606 -3.329 1.00 0.00 H new ATOM 0 HA ALA A 33 16.760 -2.428 -1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.710 -4.277 -2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.176 -3.375 -2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 33 16.343 -3.110 -3.954 1.00 0.00 H new ATOM 479 N GLU A 34 19.132 -3.109 -1.763 1.00 0.00 N ATOM 480 CA GLU A 34 20.576 -3.179 -1.951 1.00 0.00 C ATOM 481 C GLU A 34 20.996 -4.563 -2.436 1.00 0.00 C ATOM 482 O GLU A 34 21.810 -4.692 -3.351 1.00 0.00 O ATOM 483 CB GLU A 34 21.299 -2.843 -0.645 1.00 0.00 C ATOM 484 CG GLU A 34 20.906 -1.497 -0.060 1.00 0.00 C ATOM 485 CD GLU A 34 21.589 -1.214 1.264 1.00 0.00 C ATOM 486 OE1 GLU A 34 21.396 -2.003 2.212 1.00 0.00 O ATOM 487 OE2 GLU A 34 22.317 -0.203 1.351 1.00 0.00 O ATOM 0 H GLU A 34 18.752 -3.824 -1.142 1.00 0.00 H new ATOM 0 HA GLU A 34 20.853 -2.448 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.090 -3.623 0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.374 -2.853 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.158 -0.709 -0.770 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.825 -1.467 0.079 1.00 0.00 H new ATOM 494 N ASP A 35 20.435 -5.596 -1.816 1.00 0.00 N ATOM 495 CA ASP A 35 20.750 -6.971 -2.184 1.00 0.00 C ATOM 496 C ASP A 35 19.749 -7.504 -3.205 1.00 0.00 C ATOM 497 O ASP A 35 18.537 -7.364 -3.033 1.00 0.00 O ATOM 498 CB ASP A 35 20.756 -7.865 -0.943 1.00 0.00 C ATOM 499 CG ASP A 35 21.724 -7.377 0.117 1.00 0.00 C ATOM 500 OD1 ASP A 35 21.426 -6.351 0.764 1.00 0.00 O ATOM 501 OD2 ASP A 35 22.779 -8.020 0.300 1.00 0.00 O ATOM 0 H ASP A 35 19.760 -5.507 -1.056 1.00 0.00 H new ATOM 0 HA ASP A 35 21.742 -6.982 -2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 35 19.751 -7.905 -0.523 1.00 0.00 H new ATOM 0 HB3 ASP A 35 21.021 -8.882 -1.233 1.00 0.00 H new ATOM 506 N LEU A 36 20.263 -8.113 -4.268 1.00 0.00 N ATOM 507 CA LEU A 36 19.414 -8.665 -5.317 1.00 0.00 C ATOM 508 C LEU A 36 18.727 -9.943 -4.846 1.00 0.00 C ATOM 509 O LEU A 36 17.510 -10.089 -4.970 1.00 0.00 O ATOM 510 CB LEU A 36 20.241 -8.951 -6.572 1.00 0.00 C ATOM 511 CG LEU A 36 21.128 -7.807 -7.066 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.874 -8.217 -8.326 1.00 0.00 C ATOM 513 CD2 LEU A 36 20.297 -6.558 -7.317 1.00 0.00 C ATOM 0 H LEU A 36 21.263 -8.237 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 36 18.647 -7.928 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 36 20.874 -9.817 -6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.560 -9.229 -7.376 1.00 0.00 H new ATOM 0 HG LEU A 36 21.861 -7.580 -6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 36 22.500 -7.391 -8.663 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.500 -9.083 -8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 36 21.157 -8.471 -9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.945 -5.755 -7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 36 19.540 -6.770 -8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.810 -6.253 -6.391 1.00 0.00 H new ATOM 525 N LEU A 37 19.513 -10.865 -4.302 1.00 0.00 N ATOM 526 CA LEU A 37 18.980 -12.131 -3.809 1.00 0.00 C ATOM 527 C LEU A 37 17.835 -11.894 -2.829 1.00 0.00 C ATOM 528 O LEU A 37 16.779 -12.518 -2.932 1.00 0.00 O ATOM 529 CB LEU A 37 20.086 -12.943 -3.132 1.00 0.00 C ATOM 530 CG LEU A 37 21.374 -13.123 -3.936 1.00 0.00 C ATOM 531 CD1 LEU A 37 22.571 -13.251 -3.006 1.00 0.00 C ATOM 532 CD2 LEU A 37 21.270 -14.340 -4.844 1.00 0.00 C ATOM 0 H LEU A 37 20.522 -10.760 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 37 18.595 -12.692 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.336 -12.462 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.690 -13.930 -2.892 1.00 0.00 H new ATOM 0 HG LEU A 37 21.517 -12.240 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 37 23.478 -13.378 -3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 37 22.657 -12.351 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.436 -14.116 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 37 22.195 -14.453 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.103 -15.232 -4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.437 -14.208 -5.535 1.00 0.00 H new ATOM 544 N ARG A 38 18.052 -10.989 -1.881 1.00 0.00 N ATOM 545 CA ARG A 38 17.038 -10.669 -0.883 1.00 0.00 C ATOM 546 C ARG A 38 15.905 -9.854 -1.501 1.00 0.00 C ATOM 547 O ARG A 38 16.133 -9.017 -2.375 1.00 0.00 O ATOM 548 CB ARG A 38 17.661 -9.896 0.280 1.00 0.00 C ATOM 549 CG ARG A 38 18.825 -10.620 0.938 1.00 0.00 C ATOM 550 CD ARG A 38 18.347 -11.784 1.790 1.00 0.00 C ATOM 551 NE ARG A 38 19.340 -12.852 1.865 1.00 0.00 N ATOM 552 CZ ARG A 38 19.226 -13.907 2.664 1.00 0.00 C ATOM 553 NH1 ARG A 38 18.167 -14.035 3.452 1.00 0.00 N ATOM 554 NH2 ARG A 38 20.172 -14.838 2.675 1.00 0.00 N ATOM 0 H ARG A 38 18.921 -10.464 -1.783 1.00 0.00 H new ATOM 0 HA ARG A 38 16.626 -11.606 -0.508 1.00 0.00 H new ATOM 0 HB2 ARG A 38 18.004 -8.927 -0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.894 -9.703 1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.508 -10.985 0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.386 -9.921 1.558 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.121 -11.428 2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.420 -12.180 1.376 1.00 0.00 H new ATOM 0 HE ARG A 38 20.167 -12.784 1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 38 17.437 -13.322 3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 38 18.082 -14.846 4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 38 20.987 -14.744 2.070 1.00 0.00 H new ATOM 0 HH22 ARG A 38 20.084 -15.648 3.289 1.00 0.00 H new ATOM 568 N LYS A 39 14.684 -10.104 -1.041 1.00 0.00 N ATOM 569 CA LYS A 39 13.515 -9.394 -1.547 1.00 0.00 C ATOM 570 C LYS A 39 12.541 -9.075 -0.417 1.00 0.00 C ATOM 571 O LYS A 39 12.059 -9.963 0.287 1.00 0.00 O ATOM 572 CB LYS A 39 12.812 -10.226 -2.621 1.00 0.00 C ATOM 573 CG LYS A 39 11.432 -9.709 -2.985 1.00 0.00 C ATOM 574 CD LYS A 39 10.642 -10.736 -3.780 1.00 0.00 C ATOM 575 CE LYS A 39 11.218 -10.924 -5.175 1.00 0.00 C ATOM 576 NZ LYS A 39 10.410 -11.877 -5.985 1.00 0.00 N ATOM 0 H LYS A 39 14.478 -10.793 -0.318 1.00 0.00 H new ATOM 0 HA LYS A 39 13.853 -8.456 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.432 -10.245 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.725 -11.255 -2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.887 -9.454 -2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.528 -8.793 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.647 -11.689 -3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.602 -10.419 -3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.260 -9.961 -5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.242 -11.290 -5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.835 -11.978 -6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.390 -12.804 -5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.439 -11.516 -6.080 1.00 0.00 H new ATOM 590 N PRO A 40 12.243 -7.780 -0.239 1.00 0.00 N ATOM 591 CA PRO A 40 11.322 -7.316 0.803 1.00 0.00 C ATOM 592 C PRO A 40 9.877 -7.710 0.517 1.00 0.00 C ATOM 593 O PRO A 40 9.419 -7.648 -0.624 1.00 0.00 O ATOM 594 CB PRO A 40 11.479 -5.793 0.762 1.00 0.00 C ATOM 595 CG PRO A 40 11.936 -5.497 -0.625 1.00 0.00 C ATOM 596 CD PRO A 40 12.781 -6.669 -1.042 1.00 0.00 C ATOM 0 HA PRO A 40 11.550 -7.756 1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.537 -5.292 0.984 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.204 -5.450 1.500 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.087 -5.369 -1.297 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.510 -4.571 -0.657 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.695 -6.867 -2.110 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.837 -6.497 -0.834 1.00 0.00 H new ATOM 604 N THR A 41 9.162 -8.117 1.562 1.00 0.00 N ATOM 605 CA THR A 41 7.769 -8.522 1.423 1.00 0.00 C ATOM 606 C THR A 41 6.825 -7.383 1.792 1.00 0.00 C ATOM 607 O THR A 41 7.111 -6.596 2.695 1.00 0.00 O ATOM 608 CB THR A 41 7.449 -9.744 2.304 1.00 0.00 C ATOM 609 OG1 THR A 41 8.331 -10.825 1.981 1.00 0.00 O ATOM 610 CG2 THR A 41 6.006 -10.186 2.113 1.00 0.00 C ATOM 0 H THR A 41 9.525 -8.175 2.513 1.00 0.00 H new ATOM 0 HA THR A 41 7.621 -8.788 0.377 1.00 0.00 H new ATOM 0 HB THR A 41 7.590 -9.459 3.347 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.122 -11.598 2.547 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.804 -11.050 2.745 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.336 -9.371 2.387 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.843 -10.454 1.069 1.00 0.00 H new ATOM 618 N ILE A 42 5.701 -7.301 1.089 1.00 0.00 N ATOM 619 CA ILE A 42 4.715 -6.259 1.345 1.00 0.00 C ATOM 620 C ILE A 42 3.345 -6.859 1.643 1.00 0.00 C ATOM 621 O ILE A 42 2.990 -7.915 1.118 1.00 0.00 O ATOM 622 CB ILE A 42 4.591 -5.295 0.150 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.635 -4.149 0.487 1.00 0.00 C ATOM 624 CG2 ILE A 42 4.114 -6.043 -1.086 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.867 -2.905 -0.342 1.00 0.00 C ATOM 0 H ILE A 42 5.450 -7.944 0.338 1.00 0.00 H new ATOM 0 HA ILE A 42 5.063 -5.703 2.216 1.00 0.00 H new ATOM 0 HB ILE A 42 5.574 -4.873 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.609 -4.487 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.740 -3.897 1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.031 -5.349 -1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.829 -6.827 -1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.140 -6.490 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.154 -2.134 -0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.881 -2.542 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.733 -3.141 -1.398 1.00 0.00 H new ATOM 637 N LYS A 43 2.579 -6.179 2.488 1.00 0.00 N ATOM 638 CA LYS A 43 1.246 -6.641 2.856 1.00 0.00 C ATOM 639 C LYS A 43 0.248 -5.487 2.851 1.00 0.00 C ATOM 640 O LYS A 43 0.469 -4.461 3.494 1.00 0.00 O ATOM 641 CB LYS A 43 1.274 -7.299 4.237 1.00 0.00 C ATOM 642 CG LYS A 43 0.066 -8.175 4.519 1.00 0.00 C ATOM 643 CD LYS A 43 0.298 -9.607 4.069 1.00 0.00 C ATOM 644 CE LYS A 43 0.950 -10.437 5.164 1.00 0.00 C ATOM 645 NZ LYS A 43 0.124 -10.467 6.403 1.00 0.00 N ATOM 0 H LYS A 43 2.859 -5.304 2.932 1.00 0.00 H new ATOM 0 HA LYS A 43 0.928 -7.376 2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.178 -7.902 4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.334 -6.522 4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.155 -8.159 5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.806 -7.769 4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.653 -10.059 3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.931 -9.613 3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.104 -11.455 4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.934 -10.027 5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.318 -11.343 6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.360 -9.647 6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.884 -10.432 6.149 1.00 0.00 H new ATOM 659 N TRP A 44 -0.849 -5.663 2.124 1.00 0.00 N ATOM 660 CA TRP A 44 -1.881 -4.635 2.037 1.00 0.00 C ATOM 661 C TRP A 44 -3.008 -4.912 3.026 1.00 0.00 C ATOM 662 O TRP A 44 -3.602 -5.991 3.019 1.00 0.00 O ATOM 663 CB TRP A 44 -2.439 -4.563 0.615 1.00 0.00 C ATOM 664 CG TRP A 44 -1.379 -4.396 -0.431 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.571 -5.372 -0.942 1.00 0.00 C ATOM 666 CD2 TRP A 44 -1.011 -3.181 -1.093 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.277 -4.836 -1.881 1.00 0.00 N ATOM 668 CE2 TRP A 44 0.027 -3.494 -1.993 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.458 -1.859 -1.014 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.623 -2.533 -2.805 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -0.865 -0.907 -1.821 1.00 0.00 C ATOM 672 CH2 TRP A 44 0.166 -1.247 -2.707 1.00 0.00 C ATOM 0 H TRP A 44 -1.047 -6.507 1.586 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.428 -3.677 2.290 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.004 -5.472 0.408 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.139 -3.730 0.549 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.595 -6.412 -0.651 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.979 -5.354 -2.409 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.252 -1.587 -0.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.418 -2.793 -3.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.202 0.118 -1.768 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.608 -0.479 -3.324 1.00 0.00 H new ATOM 683 N PHE A 45 -3.299 -3.932 3.874 1.00 0.00 N ATOM 684 CA PHE A 45 -4.356 -4.071 4.870 1.00 0.00 C ATOM 685 C PHE A 45 -5.408 -2.979 4.701 1.00 0.00 C ATOM 686 O PHE A 45 -5.221 -2.032 3.937 1.00 0.00 O ATOM 687 CB PHE A 45 -3.767 -4.014 6.281 1.00 0.00 C ATOM 688 CG PHE A 45 -3.038 -5.266 6.677 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.735 -6.377 7.125 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.656 -5.332 6.602 1.00 0.00 C ATOM 691 CE1 PHE A 45 -3.067 -7.531 7.490 1.00 0.00 C ATOM 692 CE2 PHE A 45 -0.983 -6.483 6.966 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.689 -7.584 7.411 1.00 0.00 C ATOM 0 H PHE A 45 -2.818 -3.033 3.892 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.835 -5.039 4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.082 -3.168 6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.570 -3.830 6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.812 -6.341 7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.098 -4.474 6.255 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.622 -8.390 7.837 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.094 -6.522 6.903 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.165 -8.484 7.696 1.00 0.00 H new ATOM 703 N LYS A 46 -6.517 -3.119 5.420 1.00 0.00 N ATOM 704 CA LYS A 46 -7.601 -2.146 5.353 1.00 0.00 C ATOM 705 C LYS A 46 -8.508 -2.257 6.574 1.00 0.00 C ATOM 706 O LYS A 46 -8.727 -3.347 7.100 1.00 0.00 O ATOM 707 CB LYS A 46 -8.419 -2.351 4.076 1.00 0.00 C ATOM 708 CG LYS A 46 -9.367 -1.204 3.771 1.00 0.00 C ATOM 709 CD LYS A 46 -10.713 -1.398 4.450 1.00 0.00 C ATOM 710 CE LYS A 46 -11.482 -0.089 4.545 1.00 0.00 C ATOM 711 NZ LYS A 46 -12.644 -0.195 5.470 1.00 0.00 N ATOM 0 H LYS A 46 -6.689 -3.898 6.056 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.161 -1.149 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.738 -2.482 3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.994 -3.272 4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.923 -0.266 4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.510 -1.126 2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.301 -2.127 3.893 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.562 -1.806 5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.814 0.700 4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.832 0.200 3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.229 0.662 5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.214 -1.027 5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.302 -0.294 6.447 1.00 0.00 H new ATOM 725 N GLY A 47 -9.035 -1.120 7.019 1.00 0.00 N ATOM 726 CA GLY A 47 -9.914 -1.113 8.174 1.00 0.00 C ATOM 727 C GLY A 47 -9.177 -1.407 9.466 1.00 0.00 C ATOM 728 O GLY A 47 -8.139 -0.808 9.748 1.00 0.00 O ATOM 0 H GLY A 47 -8.869 -0.205 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.401 -0.141 8.250 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.701 -1.853 8.032 1.00 0.00 H new ATOM 732 N LYS A 48 -9.714 -2.332 10.254 1.00 0.00 N ATOM 733 CA LYS A 48 -9.102 -2.706 11.523 1.00 0.00 C ATOM 734 C LYS A 48 -8.394 -4.052 11.410 1.00 0.00 C ATOM 735 O LYS A 48 -7.199 -4.160 11.686 1.00 0.00 O ATOM 736 CB LYS A 48 -10.161 -2.766 12.626 1.00 0.00 C ATOM 737 CG LYS A 48 -9.628 -2.407 14.002 1.00 0.00 C ATOM 738 CD LYS A 48 -8.548 -3.377 14.452 1.00 0.00 C ATOM 739 CE LYS A 48 -7.926 -2.946 15.771 1.00 0.00 C ATOM 740 NZ LYS A 48 -8.960 -2.632 16.796 1.00 0.00 N ATOM 0 H LYS A 48 -10.573 -2.837 10.036 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.363 -1.947 11.779 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.976 -2.088 12.373 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.582 -3.771 12.660 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.225 -1.395 13.984 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.446 -2.412 14.723 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.975 -4.374 14.558 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.774 -3.441 13.687 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.276 -3.738 16.142 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.299 -2.070 15.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.506 -2.524 17.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.443 -1.747 16.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.654 -3.405 16.837 1.00 0.00 H new ATOM 754 N TRP A 49 -9.137 -5.074 11.003 1.00 0.00 N ATOM 755 CA TRP A 49 -8.579 -6.413 10.852 1.00 0.00 C ATOM 756 C TRP A 49 -8.566 -6.836 9.387 1.00 0.00 C ATOM 757 O TRP A 49 -7.700 -7.598 8.960 1.00 0.00 O ATOM 758 CB TRP A 49 -9.381 -7.418 11.679 1.00 0.00 C ATOM 759 CG TRP A 49 -9.809 -6.884 13.013 1.00 0.00 C ATOM 760 CD1 TRP A 49 -10.845 -6.028 13.258 1.00 0.00 C ATOM 761 CD2 TRP A 49 -9.211 -7.167 14.282 1.00 0.00 C ATOM 762 NE1 TRP A 49 -10.927 -5.763 14.604 1.00 0.00 N ATOM 763 CE2 TRP A 49 -9.936 -6.450 15.254 1.00 0.00 C ATOM 764 CE3 TRP A 49 -8.135 -7.958 14.692 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -9.617 -6.502 16.608 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -7.819 -8.008 16.037 1.00 0.00 C ATOM 767 CH2 TRP A 49 -8.558 -7.284 16.982 1.00 0.00 C ATOM 0 H TRP A 49 -10.128 -5.002 10.771 1.00 0.00 H new ATOM 0 HA TRP A 49 -7.551 -6.394 11.214 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.264 -7.718 11.116 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -8.780 -8.315 11.831 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -11.503 -5.620 12.505 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.614 -5.154 15.047 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.560 -8.520 13.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.185 -5.945 17.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.988 -8.615 16.365 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.287 -7.344 18.026 1.00 0.00 H new ATOM 778 N MET A 50 -9.532 -6.336 8.623 1.00 0.00 N ATOM 779 CA MET A 50 -9.630 -6.662 7.205 1.00 0.00 C ATOM 780 C MET A 50 -8.259 -6.607 6.539 1.00 0.00 C ATOM 781 O MET A 50 -7.649 -5.543 6.438 1.00 0.00 O ATOM 782 CB MET A 50 -10.590 -5.699 6.504 1.00 0.00 C ATOM 783 CG MET A 50 -11.309 -6.316 5.316 1.00 0.00 C ATOM 784 SD MET A 50 -11.962 -5.078 4.179 1.00 0.00 S ATOM 785 CE MET A 50 -10.715 -5.106 2.894 1.00 0.00 C ATOM 0 H MET A 50 -10.257 -5.704 8.962 1.00 0.00 H new ATOM 0 HA MET A 50 -10.017 -7.677 7.117 1.00 0.00 H new ATOM 0 HB2 MET A 50 -11.330 -5.348 7.224 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.033 -4.825 6.167 1.00 0.00 H new ATOM 0 HG2 MET A 50 -10.621 -6.969 4.779 1.00 0.00 H new ATOM 0 HG3 MET A 50 -12.127 -6.941 5.676 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.708 -4.149 2.373 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.737 -5.283 3.340 1.00 0.00 H new ATOM 0 HE3 MET A 50 -10.940 -5.903 2.186 1.00 0.00 H new ATOM 795 N ASP A 51 -7.780 -7.761 6.086 1.00 0.00 N ATOM 796 CA ASP A 51 -6.481 -7.844 5.429 1.00 0.00 C ATOM 797 C ASP A 51 -6.644 -8.099 3.933 1.00 0.00 C ATOM 798 O ASP A 51 -6.875 -9.232 3.508 1.00 0.00 O ATOM 799 CB ASP A 51 -5.637 -8.953 6.059 1.00 0.00 C ATOM 800 CG ASP A 51 -4.270 -9.077 5.415 1.00 0.00 C ATOM 801 OD1 ASP A 51 -3.778 -8.068 4.867 1.00 0.00 O ATOM 802 OD2 ASP A 51 -3.692 -10.182 5.459 1.00 0.00 O ATOM 0 H ASP A 51 -8.272 -8.651 6.162 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.972 -6.890 5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.517 -8.754 7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.165 -9.902 5.970 1.00 0.00 H new ATOM 807 N LEU A 52 -6.523 -7.040 3.141 1.00 0.00 N ATOM 808 CA LEU A 52 -6.658 -7.149 1.693 1.00 0.00 C ATOM 809 C LEU A 52 -5.893 -8.358 1.164 1.00 0.00 C ATOM 810 O LEU A 52 -6.318 -9.004 0.207 1.00 0.00 O ATOM 811 CB LEU A 52 -6.151 -5.874 1.016 1.00 0.00 C ATOM 812 CG LEU A 52 -6.714 -4.559 1.556 1.00 0.00 C ATOM 813 CD1 LEU A 52 -6.041 -3.373 0.881 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.222 -4.502 1.358 1.00 0.00 C ATOM 0 H LEU A 52 -6.332 -6.096 3.477 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.715 -7.281 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.065 -5.846 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.381 -5.935 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.506 -4.509 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.454 -2.446 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.969 -3.404 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.217 -3.418 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.605 -3.559 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.452 -4.575 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.690 -5.331 1.889 1.00 0.00 H new ATOM 826 N ALA A 53 -4.762 -8.658 1.794 1.00 0.00 N ATOM 827 CA ALA A 53 -3.940 -9.791 1.390 1.00 0.00 C ATOM 828 C ALA A 53 -4.793 -11.034 1.158 1.00 0.00 C ATOM 829 O ALA A 53 -4.692 -11.682 0.116 1.00 0.00 O ATOM 830 CB ALA A 53 -2.873 -10.070 2.439 1.00 0.00 C ATOM 0 H ALA A 53 -4.394 -8.132 2.587 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.452 -9.536 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.266 -10.919 2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.237 -9.192 2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.350 -10.299 3.392 1.00 0.00 H new ATOM 836 N SER A 54 -5.633 -11.361 2.135 1.00 0.00 N ATOM 837 CA SER A 54 -6.500 -12.528 2.039 1.00 0.00 C ATOM 838 C SER A 54 -7.735 -12.219 1.198 1.00 0.00 C ATOM 839 O SER A 54 -8.481 -13.121 0.814 1.00 0.00 O ATOM 840 CB SER A 54 -6.922 -12.993 3.434 1.00 0.00 C ATOM 841 OG SER A 54 -5.947 -12.650 4.403 1.00 0.00 O ATOM 0 H SER A 54 -5.731 -10.833 3.002 1.00 0.00 H new ATOM 0 HA SER A 54 -5.940 -13.327 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.877 -12.539 3.698 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.072 -14.073 3.431 1.00 0.00 H new ATOM 0 HG SER A 54 -6.241 -12.957 5.286 1.00 0.00 H new ATOM 847 N LYS A 55 -7.946 -10.938 0.916 1.00 0.00 N ATOM 848 CA LYS A 55 -9.089 -10.507 0.120 1.00 0.00 C ATOM 849 C LYS A 55 -8.778 -10.595 -1.371 1.00 0.00 C ATOM 850 O LYS A 55 -9.684 -10.620 -2.203 1.00 0.00 O ATOM 851 CB LYS A 55 -9.481 -9.074 0.487 1.00 0.00 C ATOM 852 CG LYS A 55 -9.691 -8.864 1.976 1.00 0.00 C ATOM 853 CD LYS A 55 -10.961 -9.542 2.461 1.00 0.00 C ATOM 854 CE LYS A 55 -11.351 -9.066 3.852 1.00 0.00 C ATOM 855 NZ LYS A 55 -12.234 -10.043 4.546 1.00 0.00 N ATOM 0 H LYS A 55 -7.340 -10.179 1.227 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.924 -11.173 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.704 -8.393 0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.397 -8.810 -0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.835 -9.258 2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.743 -7.796 2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.773 -9.336 1.764 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.816 -10.622 2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.451 -8.904 4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.861 -8.105 3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.477 -9.681 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.104 -10.179 3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.739 -10.953 4.640 1.00 0.00 H new ATOM 869 N ALA A 56 -7.491 -10.641 -1.701 1.00 0.00 N ATOM 870 CA ALA A 56 -7.061 -10.729 -3.091 1.00 0.00 C ATOM 871 C ALA A 56 -7.455 -12.069 -3.703 1.00 0.00 C ATOM 872 O ALA A 56 -6.944 -13.117 -3.310 1.00 0.00 O ATOM 873 CB ALA A 56 -5.557 -10.522 -3.192 1.00 0.00 C ATOM 0 H ALA A 56 -6.728 -10.619 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.563 -9.941 -3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.250 -10.590 -4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.298 -9.538 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.044 -11.289 -2.612 1.00 0.00 H new ATOM 879 N GLY A 57 -8.368 -12.028 -4.669 1.00 0.00 N ATOM 880 CA GLY A 57 -8.816 -13.245 -5.319 1.00 0.00 C ATOM 881 C GLY A 57 -9.328 -12.997 -6.724 1.00 0.00 C ATOM 882 O GLY A 57 -8.684 -13.374 -7.703 1.00 0.00 O ATOM 0 H GLY A 57 -8.805 -11.173 -5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.992 -13.958 -5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.606 -13.702 -4.723 1.00 0.00 H new ATOM 886 N LYS A 58 -10.491 -12.363 -6.825 1.00 0.00 N ATOM 887 CA LYS A 58 -11.091 -12.065 -8.120 1.00 0.00 C ATOM 888 C LYS A 58 -11.369 -10.572 -8.260 1.00 0.00 C ATOM 889 O LYS A 58 -11.022 -9.958 -9.270 1.00 0.00 O ATOM 890 CB LYS A 58 -12.389 -12.855 -8.298 1.00 0.00 C ATOM 891 CG LYS A 58 -13.630 -12.090 -7.871 1.00 0.00 C ATOM 892 CD LYS A 58 -14.901 -12.818 -8.277 1.00 0.00 C ATOM 893 CE LYS A 58 -15.386 -13.749 -7.177 1.00 0.00 C ATOM 894 NZ LYS A 58 -16.316 -13.062 -6.239 1.00 0.00 N ATOM 0 H LYS A 58 -11.037 -12.045 -6.025 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.384 -12.360 -8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.490 -13.140 -9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.325 -13.778 -7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.619 -11.951 -6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.619 -11.097 -8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.679 -12.091 -8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.719 -13.391 -9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.889 -14.607 -7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.530 -14.133 -6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.195 -13.612 -6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.869 -12.981 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.535 -12.112 -6.601 1.00 0.00 H new ATOM 908 N HIS A 59 -11.996 -9.993 -7.241 1.00 0.00 N ATOM 909 CA HIS A 59 -12.318 -8.570 -7.250 1.00 0.00 C ATOM 910 C HIS A 59 -11.082 -7.731 -6.943 1.00 0.00 C ATOM 911 O HIS A 59 -11.056 -6.527 -7.201 1.00 0.00 O ATOM 912 CB HIS A 59 -13.419 -8.269 -6.232 1.00 0.00 C ATOM 913 CG HIS A 59 -14.775 -8.740 -6.659 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.408 -8.282 -7.795 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.619 -9.636 -6.096 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.583 -8.874 -7.912 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.735 -9.701 -6.893 1.00 0.00 N ATOM 0 H HIS A 59 -12.291 -10.487 -6.399 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.673 -8.309 -8.247 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.163 -8.739 -5.282 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.456 -7.194 -6.056 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.447 -10.196 -5.189 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.297 -8.710 -8.705 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.549 -10.292 -6.726 1.00 0.00 H new ATOM 926 N LEU A 60 -10.058 -8.373 -6.391 1.00 0.00 N ATOM 927 CA LEU A 60 -8.818 -7.686 -6.049 1.00 0.00 C ATOM 928 C LEU A 60 -7.606 -8.490 -6.506 1.00 0.00 C ATOM 929 O LEU A 60 -7.623 -9.720 -6.489 1.00 0.00 O ATOM 930 CB LEU A 60 -8.745 -7.446 -4.540 1.00 0.00 C ATOM 931 CG LEU A 60 -7.387 -7.003 -3.995 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.283 -5.486 -3.989 1.00 0.00 C ATOM 933 CD2 LEU A 60 -7.165 -7.560 -2.597 1.00 0.00 C ATOM 0 H LEU A 60 -10.062 -9.369 -6.171 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.809 -6.726 -6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.484 -6.689 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.035 -8.365 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.609 -7.397 -4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.310 -5.190 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.395 -5.110 -5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.069 -5.070 -3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.193 -7.234 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.948 -7.196 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.194 -8.649 -2.630 1.00 0.00 H new ATOM 945 N GLN A 61 -6.555 -7.785 -6.914 1.00 0.00 N ATOM 946 CA GLN A 61 -5.333 -8.434 -7.375 1.00 0.00 C ATOM 947 C GLN A 61 -4.114 -7.561 -7.095 1.00 0.00 C ATOM 948 O GLN A 61 -4.060 -6.402 -7.508 1.00 0.00 O ATOM 949 CB GLN A 61 -5.425 -8.738 -8.871 1.00 0.00 C ATOM 950 CG GLN A 61 -6.478 -9.778 -9.217 1.00 0.00 C ATOM 951 CD GLN A 61 -6.037 -11.190 -8.882 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.041 -11.683 -9.412 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.777 -11.848 -7.998 1.00 0.00 N ATOM 0 H GLN A 61 -6.525 -6.766 -6.935 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.220 -9.370 -6.828 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.647 -7.816 -9.408 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.454 -9.085 -9.223 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.398 -9.551 -8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.708 -9.716 -10.281 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.595 -11.401 -7.583 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.528 -12.801 -7.733 1.00 0.00 H new ATOM 962 N LEU A 62 -3.138 -8.124 -6.392 1.00 0.00 N ATOM 963 CA LEU A 62 -1.919 -7.397 -6.057 1.00 0.00 C ATOM 964 C LEU A 62 -0.850 -7.604 -7.125 1.00 0.00 C ATOM 965 O LEU A 62 -0.931 -8.533 -7.929 1.00 0.00 O ATOM 966 CB LEU A 62 -1.389 -7.850 -4.695 1.00 0.00 C ATOM 967 CG LEU A 62 -2.421 -7.941 -3.570 1.00 0.00 C ATOM 968 CD1 LEU A 62 -1.780 -8.483 -2.302 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.051 -6.580 -3.313 1.00 0.00 C ATOM 0 H LEU A 62 -3.167 -9.082 -6.043 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.160 -6.335 -6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.925 -8.829 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.603 -7.161 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.208 -8.630 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.529 -8.541 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.377 -9.478 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.974 -7.819 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.783 -6.664 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.276 -5.869 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.546 -6.231 -4.219 1.00 0.00 H new ATOM 981 N LYS A 63 0.153 -6.732 -7.128 1.00 0.00 N ATOM 982 CA LYS A 63 1.241 -6.820 -8.095 1.00 0.00 C ATOM 983 C LYS A 63 2.586 -6.551 -7.427 1.00 0.00 C ATOM 984 O LYS A 63 2.671 -5.779 -6.472 1.00 0.00 O ATOM 985 CB LYS A 63 1.018 -5.825 -9.236 1.00 0.00 C ATOM 986 CG LYS A 63 1.570 -6.296 -10.570 1.00 0.00 C ATOM 987 CD LYS A 63 1.107 -5.405 -11.711 1.00 0.00 C ATOM 988 CE LYS A 63 1.915 -5.654 -12.976 1.00 0.00 C ATOM 989 NZ LYS A 63 2.018 -4.430 -13.818 1.00 0.00 N ATOM 0 H LYS A 63 0.235 -5.956 -6.471 1.00 0.00 H new ATOM 0 HA LYS A 63 1.253 -7.832 -8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.051 -5.638 -9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.484 -4.875 -8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.659 -6.303 -10.532 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.251 -7.322 -10.755 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.051 -5.587 -11.911 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.200 -4.359 -11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.915 -5.995 -12.707 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.450 -6.453 -13.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.576 -4.641 -14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.065 -4.119 -14.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.485 -3.675 -13.277 1.00 0.00 H new ATOM 1003 N GLU A 64 3.633 -7.191 -7.937 1.00 0.00 N ATOM 1004 CA GLU A 64 4.974 -7.019 -7.388 1.00 0.00 C ATOM 1005 C GLU A 64 6.034 -7.239 -8.464 1.00 0.00 C ATOM 1006 O GLU A 64 6.020 -8.249 -9.169 1.00 0.00 O ATOM 1007 CB GLU A 64 5.202 -7.988 -6.226 1.00 0.00 C ATOM 1008 CG GLU A 64 6.668 -8.196 -5.886 1.00 0.00 C ATOM 1009 CD GLU A 64 7.358 -9.149 -6.843 1.00 0.00 C ATOM 1010 OE1 GLU A 64 6.927 -10.317 -6.932 1.00 0.00 O ATOM 1011 OE2 GLU A 64 8.330 -8.725 -7.503 1.00 0.00 O ATOM 0 H GLU A 64 3.580 -7.832 -8.728 1.00 0.00 H new ATOM 0 HA GLU A 64 5.060 -5.996 -7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.683 -7.613 -5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.755 -8.951 -6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.181 -7.235 -5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.750 -8.583 -4.870 1.00 0.00 H new ATOM 1018 N THR A 65 6.952 -6.286 -8.585 1.00 0.00 N ATOM 1019 CA THR A 65 8.019 -6.373 -9.574 1.00 0.00 C ATOM 1020 C THR A 65 9.340 -5.871 -9.004 1.00 0.00 C ATOM 1021 O THR A 65 9.361 -5.101 -8.044 1.00 0.00 O ATOM 1022 CB THR A 65 7.678 -5.564 -10.840 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.601 -5.882 -11.888 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.722 -4.070 -10.556 1.00 0.00 C ATOM 0 H THR A 65 6.978 -5.444 -8.010 1.00 0.00 H new ATOM 0 HA THR A 65 8.119 -7.425 -9.840 1.00 0.00 H new ATOM 0 HB THR A 65 6.668 -5.829 -11.152 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.376 -5.365 -12.690 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.478 -3.520 -11.465 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.998 -3.826 -9.778 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.722 -3.793 -10.221 1.00 0.00 H new ATOM 1032 N PHE A 66 10.443 -6.311 -9.602 1.00 0.00 N ATOM 1033 CA PHE A 66 11.770 -5.906 -9.153 1.00 0.00 C ATOM 1034 C PHE A 66 12.603 -5.384 -10.320 1.00 0.00 C ATOM 1035 O PHE A 66 12.493 -5.877 -11.443 1.00 0.00 O ATOM 1036 CB PHE A 66 12.486 -7.081 -8.485 1.00 0.00 C ATOM 1037 CG PHE A 66 13.953 -6.843 -8.267 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.386 -5.855 -7.397 1.00 0.00 C ATOM 1039 CD2 PHE A 66 14.899 -7.607 -8.931 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.735 -5.633 -7.194 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.249 -7.391 -8.731 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.668 -6.402 -7.862 1.00 0.00 C ATOM 0 H PHE A 66 10.444 -6.948 -10.399 1.00 0.00 H new ATOM 0 HA PHE A 66 11.651 -5.102 -8.427 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.013 -7.286 -7.525 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.358 -7.972 -9.100 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.661 -5.251 -6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.577 -8.380 -9.613 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.059 -4.859 -6.514 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.976 -7.995 -9.254 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.723 -6.231 -7.705 1.00 0.00 H new ATOM 1052 N GLU A 67 13.435 -4.385 -10.046 1.00 0.00 N ATOM 1053 CA GLU A 67 14.286 -3.796 -11.073 1.00 0.00 C ATOM 1054 C GLU A 67 15.743 -3.763 -10.620 1.00 0.00 C ATOM 1055 O GLU A 67 16.184 -2.809 -9.979 1.00 0.00 O ATOM 1056 CB GLU A 67 13.813 -2.379 -11.408 1.00 0.00 C ATOM 1057 CG GLU A 67 12.763 -2.332 -12.505 1.00 0.00 C ATOM 1058 CD GLU A 67 12.408 -0.915 -12.912 1.00 0.00 C ATOM 1059 OE1 GLU A 67 11.534 -0.310 -12.256 1.00 0.00 O ATOM 1060 OE2 GLU A 67 13.005 -0.411 -13.886 1.00 0.00 O ATOM 0 H GLU A 67 13.538 -3.966 -9.122 1.00 0.00 H new ATOM 0 HA GLU A 67 14.215 -4.416 -11.966 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.407 -1.918 -10.508 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.672 -1.781 -11.713 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.129 -2.876 -13.376 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.863 -2.844 -12.164 1.00 0.00 H new ATOM 1067 N ARG A 68 16.485 -4.813 -10.957 1.00 0.00 N ATOM 1068 CA ARG A 68 17.891 -4.907 -10.584 1.00 0.00 C ATOM 1069 C ARG A 68 18.685 -3.738 -11.160 1.00 0.00 C ATOM 1070 O ARG A 68 19.732 -3.364 -10.631 1.00 0.00 O ATOM 1071 CB ARG A 68 18.483 -6.230 -11.073 1.00 0.00 C ATOM 1072 CG ARG A 68 17.879 -6.723 -12.378 1.00 0.00 C ATOM 1073 CD ARG A 68 16.723 -7.679 -12.129 1.00 0.00 C ATOM 1074 NE ARG A 68 17.167 -9.069 -12.063 1.00 0.00 N ATOM 1075 CZ ARG A 68 17.492 -9.788 -13.132 1.00 0.00 C ATOM 1076 NH1 ARG A 68 17.424 -9.252 -14.342 1.00 0.00 N ATOM 1077 NH2 ARG A 68 17.888 -11.047 -12.990 1.00 0.00 N ATOM 0 H ARG A 68 16.135 -5.611 -11.488 1.00 0.00 H new ATOM 0 HA ARG A 68 17.956 -4.868 -9.497 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.559 -6.111 -11.203 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.337 -6.990 -10.305 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.530 -5.872 -12.963 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.646 -7.223 -12.969 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.227 -7.412 -11.196 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.986 -7.571 -12.925 1.00 0.00 H new ATOM 0 HE ARG A 68 17.231 -9.512 -11.146 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.121 -8.284 -14.455 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.674 -9.807 -15.160 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.943 -11.463 -12.060 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.137 -11.599 -13.811 1.00 0.00 H new ATOM 1091 N HIS A 69 18.180 -3.165 -12.248 1.00 0.00 N ATOM 1092 CA HIS A 69 18.842 -2.038 -12.896 1.00 0.00 C ATOM 1093 C HIS A 69 19.122 -0.923 -11.894 1.00 0.00 C ATOM 1094 O HIS A 69 20.146 -0.244 -11.976 1.00 0.00 O ATOM 1095 CB HIS A 69 17.982 -1.505 -14.043 1.00 0.00 C ATOM 1096 CG HIS A 69 17.375 -2.582 -14.887 1.00 0.00 C ATOM 1097 ND1 HIS A 69 16.113 -3.091 -14.666 1.00 0.00 N ATOM 1098 CD2 HIS A 69 17.864 -3.247 -15.960 1.00 0.00 C ATOM 1099 CE1 HIS A 69 15.852 -4.023 -15.565 1.00 0.00 C ATOM 1100 NE2 HIS A 69 16.899 -4.137 -16.363 1.00 0.00 N ATOM 0 H HIS A 69 17.315 -3.462 -12.699 1.00 0.00 H new ATOM 0 HA HIS A 69 19.793 -2.389 -13.297 1.00 0.00 H new ATOM 0 HB2 HIS A 69 17.185 -0.885 -13.631 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.593 -0.860 -14.675 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.833 -3.104 -16.415 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.938 -4.595 -15.636 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.978 -4.781 -17.150 1.00 0.00 H new ATOM 1109 N SER A 70 18.206 -0.739 -10.948 1.00 0.00 N ATOM 1110 CA SER A 70 18.352 0.297 -9.933 1.00 0.00 C ATOM 1111 C SER A 70 18.237 -0.296 -8.532 1.00 0.00 C ATOM 1112 O SER A 70 18.343 0.417 -7.534 1.00 0.00 O ATOM 1113 CB SER A 70 17.294 1.385 -10.127 1.00 0.00 C ATOM 1114 OG SER A 70 17.519 2.106 -11.326 1.00 0.00 O ATOM 0 H SER A 70 17.355 -1.294 -10.864 1.00 0.00 H new ATOM 0 HA SER A 70 19.342 0.740 -10.042 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.303 0.933 -10.151 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.311 2.069 -9.279 1.00 0.00 H new ATOM 0 HG SER A 70 16.829 2.794 -11.428 1.00 0.00 H new ATOM 1120 N ARG A 71 18.019 -1.605 -8.466 1.00 0.00 N ATOM 1121 CA ARG A 71 17.888 -2.295 -7.188 1.00 0.00 C ATOM 1122 C ARG A 71 16.718 -1.734 -6.385 1.00 0.00 C ATOM 1123 O ARG A 71 16.840 -1.476 -5.188 1.00 0.00 O ATOM 1124 CB ARG A 71 19.182 -2.168 -6.381 1.00 0.00 C ATOM 1125 CG ARG A 71 20.300 -3.069 -6.878 1.00 0.00 C ATOM 1126 CD ARG A 71 21.239 -3.466 -5.749 1.00 0.00 C ATOM 1127 NE ARG A 71 22.336 -2.515 -5.590 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.377 -2.449 -6.413 1.00 0.00 C ATOM 1129 NH1 ARG A 71 23.461 -3.274 -7.448 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.335 -1.557 -6.202 1.00 0.00 N ATOM 0 H ARG A 71 17.929 -2.209 -9.283 1.00 0.00 H new ATOM 0 HA ARG A 71 17.696 -3.349 -7.390 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.520 -1.132 -6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.974 -2.403 -5.337 1.00 0.00 H new ATOM 0 HG2 ARG A 71 19.873 -3.965 -7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.863 -2.556 -7.658 1.00 0.00 H new ATOM 0 HD2 ARG A 71 20.678 -3.531 -4.817 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.645 -4.458 -5.947 1.00 0.00 H new ATOM 0 HE ARG A 71 22.301 -1.866 -4.804 1.00 0.00 H new ATOM 0 HH11 ARG A 71 22.725 -3.961 -7.614 1.00 0.00 H new ATOM 0 HH12 ARG A 71 24.261 -3.221 -8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 71 24.273 -0.921 -5.407 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.134 -1.507 -6.834 1.00 0.00 H new ATOM 1144 N VAL A 72 15.584 -1.547 -7.053 1.00 0.00 N ATOM 1145 CA VAL A 72 14.392 -1.018 -6.403 1.00 0.00 C ATOM 1146 C VAL A 72 13.157 -1.834 -6.769 1.00 0.00 C ATOM 1147 O VAL A 72 12.919 -2.126 -7.941 1.00 0.00 O ATOM 1148 CB VAL A 72 14.151 0.455 -6.784 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.886 0.979 -6.122 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.353 1.306 -6.403 1.00 0.00 C ATOM 0 H VAL A 72 15.466 -1.754 -8.045 1.00 0.00 H new ATOM 0 HA VAL A 72 14.563 -1.085 -5.329 1.00 0.00 H new ATOM 0 HB VAL A 72 14.018 0.516 -7.864 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.733 2.021 -6.403 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.032 0.386 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.985 0.906 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.166 2.344 -6.679 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.519 1.241 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.236 0.944 -6.929 1.00 0.00 H new ATOM 1160 N TYR A 73 12.375 -2.199 -5.759 1.00 0.00 N ATOM 1161 CA TYR A 73 11.165 -2.983 -5.974 1.00 0.00 C ATOM 1162 C TYR A 73 9.955 -2.075 -6.170 1.00 0.00 C ATOM 1163 O TYR A 73 9.938 -0.934 -5.709 1.00 0.00 O ATOM 1164 CB TYR A 73 10.926 -3.924 -4.792 1.00 0.00 C ATOM 1165 CG TYR A 73 11.931 -5.050 -4.700 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.142 -4.874 -4.042 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.670 -6.289 -5.271 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.064 -5.899 -3.956 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.585 -7.320 -5.190 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.781 -7.120 -4.531 1.00 0.00 C ATOM 1171 OH TYR A 73 14.696 -8.145 -4.447 1.00 0.00 O ATOM 0 H TYR A 73 12.558 -1.964 -4.783 1.00 0.00 H new ATOM 0 HA TYR A 73 11.301 -3.575 -6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.954 -3.347 -3.868 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.925 -4.348 -4.873 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.366 -3.919 -3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.735 -6.449 -5.787 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.001 -5.745 -3.441 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.366 -8.277 -5.640 1.00 0.00 H new ATOM 0 HH TYR A 73 15.181 -8.082 -3.598 1.00 0.00 H new ATOM 1181 N THR A 74 8.941 -2.592 -6.858 1.00 0.00 N ATOM 1182 CA THR A 74 7.726 -1.830 -7.116 1.00 0.00 C ATOM 1183 C THR A 74 6.485 -2.695 -6.931 1.00 0.00 C ATOM 1184 O THR A 74 6.183 -3.552 -7.763 1.00 0.00 O ATOM 1185 CB THR A 74 7.722 -1.244 -8.541 1.00 0.00 C ATOM 1186 OG1 THR A 74 8.865 -0.402 -8.727 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.452 -0.447 -8.795 1.00 0.00 C ATOM 0 H THR A 74 8.938 -3.535 -7.246 1.00 0.00 H new ATOM 0 HA THR A 74 7.707 -1.013 -6.395 1.00 0.00 H new ATOM 0 HB THR A 74 7.761 -2.071 -9.250 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.856 -0.035 -9.635 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.472 -0.043 -9.807 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.585 -1.098 -8.681 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.387 0.372 -8.079 1.00 0.00 H new ATOM 1195 N PHE A 75 5.767 -2.466 -5.837 1.00 0.00 N ATOM 1196 CA PHE A 75 4.557 -3.225 -5.543 1.00 0.00 C ATOM 1197 C PHE A 75 3.310 -2.393 -5.827 1.00 0.00 C ATOM 1198 O PHE A 75 3.264 -1.202 -5.523 1.00 0.00 O ATOM 1199 CB PHE A 75 4.558 -3.681 -4.082 1.00 0.00 C ATOM 1200 CG PHE A 75 5.906 -4.128 -3.594 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.452 -5.326 -4.028 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.628 -3.351 -2.702 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.693 -5.740 -3.581 1.00 0.00 C ATOM 1204 CE2 PHE A 75 7.869 -3.760 -2.252 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.402 -4.957 -2.691 1.00 0.00 C ATOM 0 H PHE A 75 6.002 -1.761 -5.139 1.00 0.00 H new ATOM 0 HA PHE A 75 4.542 -4.102 -6.190 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.206 -2.862 -3.454 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.848 -4.500 -3.965 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.902 -5.943 -4.723 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.216 -2.415 -2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.108 -6.675 -3.927 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.422 -3.145 -1.558 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.371 -5.280 -2.339 1.00 0.00 H new ATOM 1215 N GLU A 76 2.301 -3.031 -6.412 1.00 0.00 N ATOM 1216 CA GLU A 76 1.054 -2.349 -6.739 1.00 0.00 C ATOM 1217 C GLU A 76 -0.149 -3.151 -6.249 1.00 0.00 C ATOM 1218 O GLU A 76 -0.022 -4.319 -5.883 1.00 0.00 O ATOM 1219 CB GLU A 76 0.950 -2.125 -8.249 1.00 0.00 C ATOM 1220 CG GLU A 76 2.219 -1.565 -8.869 1.00 0.00 C ATOM 1221 CD GLU A 76 2.371 -1.945 -10.330 1.00 0.00 C ATOM 1222 OE1 GLU A 76 1.520 -1.528 -11.143 1.00 0.00 O ATOM 1223 OE2 GLU A 76 3.341 -2.659 -10.658 1.00 0.00 O ATOM 0 H GLU A 76 2.323 -4.018 -6.669 1.00 0.00 H new ATOM 0 HA GLU A 76 1.055 -1.383 -6.235 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.706 -3.071 -8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.125 -1.442 -8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.215 -0.479 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.082 -1.928 -8.311 1.00 0.00 H new ATOM 1230 N MET A 77 -1.315 -2.513 -6.244 1.00 0.00 N ATOM 1231 CA MET A 77 -2.541 -3.167 -5.800 1.00 0.00 C ATOM 1232 C MET A 77 -3.690 -2.878 -6.761 1.00 0.00 C ATOM 1233 O MET A 77 -4.329 -1.830 -6.680 1.00 0.00 O ATOM 1234 CB MET A 77 -2.910 -2.701 -4.390 1.00 0.00 C ATOM 1235 CG MET A 77 -4.269 -3.196 -3.923 1.00 0.00 C ATOM 1236 SD MET A 77 -4.500 -3.016 -2.144 1.00 0.00 S ATOM 1237 CE MET A 77 -4.446 -1.234 -1.974 1.00 0.00 C ATOM 0 H MET A 77 -1.437 -1.545 -6.542 1.00 0.00 H new ATOM 0 HA MET A 77 -2.365 -4.243 -5.785 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.147 -3.045 -3.691 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.900 -1.611 -4.362 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.051 -2.644 -4.445 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.383 -4.245 -4.196 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.271 -0.973 -0.930 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.639 -0.834 -2.588 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.395 -0.808 -2.300 1.00 0.00 H new ATOM 1247 N GLN A 78 -3.945 -3.815 -7.668 1.00 0.00 N ATOM 1248 CA GLN A 78 -5.017 -3.659 -8.645 1.00 0.00 C ATOM 1249 C GLN A 78 -6.361 -4.062 -8.047 1.00 0.00 C ATOM 1250 O GLN A 78 -6.605 -5.240 -7.782 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.726 -4.499 -9.890 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.095 -3.805 -11.191 1.00 0.00 C ATOM 1253 CD GLN A 78 -4.836 -4.671 -12.409 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -5.674 -4.768 -13.306 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.671 -5.306 -12.446 1.00 0.00 N ATOM 0 H GLN A 78 -3.425 -4.689 -7.747 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.067 -2.608 -8.928 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.665 -4.750 -9.909 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.274 -5.439 -9.821 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.149 -3.528 -11.164 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.525 -2.880 -11.280 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.006 -5.197 -11.680 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.441 -5.903 -13.240 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.228 -3.078 -7.837 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.548 -3.331 -7.272 1.00 0.00 C ATOM 1266 C ILE A 79 -9.623 -3.307 -8.353 1.00 0.00 C ATOM 1267 O ILE A 79 -9.914 -2.259 -8.930 1.00 0.00 O ATOM 1268 CB ILE A 79 -8.903 -2.297 -6.187 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.848 -2.305 -5.079 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.283 -2.583 -5.614 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.378 -1.852 -3.737 1.00 0.00 C ATOM 0 H ILE A 79 -7.041 -2.098 -8.049 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.513 -4.322 -6.820 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.918 -1.306 -6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.445 -3.313 -4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.021 -1.658 -5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.519 -1.844 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.026 -2.531 -6.410 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.294 -3.579 -5.172 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.576 -1.883 -3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.755 -0.833 -3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.185 -2.513 -3.423 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.211 -4.468 -8.620 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.257 -4.580 -9.629 1.00 0.00 C ATOM 1285 C ILE A 80 -12.642 -4.540 -8.993 1.00 0.00 C ATOM 1286 O ILE A 80 -12.886 -5.179 -7.969 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.116 -5.879 -10.444 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.643 -6.163 -10.742 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -11.914 -5.782 -11.736 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -8.977 -7.045 -9.709 1.00 0.00 C ATOM 0 H ILE A 80 -9.981 -5.344 -8.152 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.143 -3.727 -10.298 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.513 -6.705 -9.855 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.564 -6.638 -11.720 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.104 -5.218 -10.803 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.805 -6.707 -12.301 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.967 -5.622 -11.502 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.543 -4.947 -12.331 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.934 -7.204 -9.984 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.025 -6.562 -8.733 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.491 -8.005 -9.664 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.548 -3.785 -9.606 1.00 0.00 N ATOM 1303 CA LYS A 81 -14.910 -3.663 -9.102 1.00 0.00 C ATOM 1304 C LYS A 81 -14.914 -3.189 -7.653 1.00 0.00 C ATOM 1305 O LYS A 81 -15.563 -3.788 -6.796 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.639 -5.004 -9.213 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.627 -5.589 -10.615 1.00 0.00 C ATOM 1308 CD LYS A 81 -16.859 -6.439 -10.875 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.631 -7.417 -12.018 1.00 0.00 C ATOM 1310 NZ LYS A 81 -17.911 -7.845 -12.646 1.00 0.00 N ATOM 0 H LYS A 81 -13.363 -3.248 -10.453 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.430 -2.922 -9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.179 -5.716 -8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.672 -4.874 -8.892 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.579 -4.782 -11.346 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.731 -6.195 -10.750 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.120 -6.989 -9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.705 -5.793 -11.111 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.994 -6.953 -12.771 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.099 -8.292 -11.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.712 -8.511 -13.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.509 -8.311 -11.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.408 -7.013 -13.024 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.187 -2.108 -7.386 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.110 -1.552 -6.041 1.00 0.00 C ATOM 1326 C ALA A 82 -15.502 -1.305 -5.469 1.00 0.00 C ATOM 1327 O ALA A 82 -16.257 -0.476 -5.978 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.305 -0.262 -6.049 1.00 0.00 C ATOM 0 H ALA A 82 -13.643 -1.600 -8.084 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.606 -2.278 -5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.256 0.142 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.296 -0.465 -6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.785 0.463 -6.706 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.837 -2.031 -4.407 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.138 -1.891 -3.764 1.00 0.00 C ATOM 1336 C LYS A 83 -17.094 -0.826 -2.673 1.00 0.00 C ATOM 1337 O LYS A 83 -16.031 -0.294 -2.354 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.582 -3.229 -3.168 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.245 -4.425 -4.042 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.466 -5.735 -3.303 1.00 0.00 C ATOM 1341 CE LYS A 83 -16.810 -6.901 -4.027 1.00 0.00 C ATOM 1342 NZ LYS A 83 -17.374 -8.210 -3.595 1.00 0.00 N ATOM 0 H LYS A 83 -15.225 -2.722 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.858 -1.581 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.111 -3.357 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.659 -3.203 -3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.861 -4.405 -4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.206 -4.359 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.061 -5.658 -2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.535 -5.922 -3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.946 -6.784 -5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.737 -6.888 -3.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.649 -8.949 -3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -17.675 -8.147 -2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.193 -8.449 -4.190 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.255 -0.522 -2.102 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.348 0.477 -1.045 1.00 0.00 C ATOM 1358 C ASP A 84 -17.590 0.024 0.199 1.00 0.00 C ATOM 1359 O ASP A 84 -17.429 0.786 1.152 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.812 0.746 -0.695 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.333 -0.192 0.377 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -20.029 0.040 1.566 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -21.043 -1.158 0.028 1.00 0.00 O ATOM 0 H ASP A 84 -19.144 -0.953 -2.354 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.895 1.399 -1.410 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.918 1.776 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.422 0.642 -1.592 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.127 -1.221 0.183 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.387 -1.777 1.310 1.00 0.00 C ATOM 1370 C ASN A 85 -14.890 -1.522 1.157 1.00 0.00 C ATOM 1371 O ASN A 85 -14.119 -1.705 2.099 1.00 0.00 O ATOM 1372 CB ASN A 85 -16.650 -3.279 1.430 1.00 0.00 C ATOM 1373 CG ASN A 85 -16.460 -3.789 2.845 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -17.256 -3.492 3.736 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -15.400 -4.560 3.059 1.00 0.00 N ATOM 0 H ASN A 85 -17.251 -1.865 -0.598 1.00 0.00 H new ATOM 0 HA ASN A 85 -16.731 -1.282 2.218 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -17.667 -3.494 1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -15.979 -3.817 0.760 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -15.220 -4.932 3.992 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -14.766 -4.781 2.291 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.487 -1.098 -0.036 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.083 -0.819 -0.313 1.00 0.00 C ATOM 1384 C PHE A 86 -12.706 0.586 0.149 1.00 0.00 C ATOM 1385 O PHE A 86 -11.566 1.020 -0.014 1.00 0.00 O ATOM 1386 CB PHE A 86 -12.796 -0.969 -1.808 1.00 0.00 C ATOM 1387 CG PHE A 86 -12.902 -2.385 -2.299 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.080 -3.099 -2.147 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -11.824 -3.002 -2.914 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.179 -4.402 -2.597 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -11.918 -4.304 -3.366 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.098 -5.005 -3.208 1.00 0.00 C ATOM 0 H PHE A 86 -15.112 -0.940 -0.826 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.480 -1.539 0.240 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.493 -0.345 -2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.794 -0.594 -2.017 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -14.930 -2.632 -1.672 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.900 -2.458 -3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.102 -4.948 -2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.070 -4.773 -3.842 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.174 -6.023 -3.562 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.673 1.291 0.727 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.444 2.646 1.214 1.00 0.00 C ATOM 1404 C ALA A 87 -13.207 2.655 2.720 1.00 0.00 C ATOM 1405 O ALA A 87 -13.980 2.077 3.483 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.622 3.541 0.858 1.00 0.00 C ATOM 0 H ALA A 87 -14.622 0.946 0.869 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.548 3.033 0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.437 4.550 1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.744 3.568 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.529 3.147 1.316 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.133 3.314 3.142 1.00 0.00 N ATOM 1413 CA GLY A 88 -11.813 3.385 4.556 1.00 0.00 C ATOM 1414 C GLY A 88 -10.362 3.745 4.805 1.00 0.00 C ATOM 1415 O GLY A 88 -9.849 4.709 4.239 1.00 0.00 O ATOM 0 H GLY A 88 -11.478 3.800 2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.455 4.125 5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.031 2.425 5.023 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.698 2.969 5.656 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.298 3.213 5.981 1.00 0.00 C ATOM 1421 C ASN A 89 -7.422 2.052 5.519 1.00 0.00 C ATOM 1422 O ASN A 89 -7.630 0.906 5.919 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.131 3.424 7.487 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.677 3.562 7.894 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.178 2.801 8.724 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -5.989 4.536 7.310 1.00 0.00 N ATOM 0 H ASN A 89 -10.108 2.166 6.133 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.982 4.115 5.457 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.676 4.318 7.788 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.577 2.584 8.020 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.006 4.677 7.544 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.443 5.143 6.628 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.442 2.357 4.675 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.536 1.339 4.157 1.00 0.00 C ATOM 1435 C TYR A 90 -4.190 1.392 4.874 1.00 0.00 C ATOM 1436 O TYR A 90 -3.631 2.468 5.089 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.332 1.526 2.652 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.479 1.004 1.817 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.773 1.471 2.008 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.268 0.043 0.835 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.824 0.996 1.247 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.312 -0.436 0.068 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.588 0.043 0.279 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.632 -0.432 -0.482 1.00 0.00 O ATOM 0 H TYR A 90 -6.255 3.300 4.335 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.986 0.363 4.338 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.193 2.586 2.441 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.415 1.019 2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.961 2.218 2.765 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.270 -0.336 0.669 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.824 1.369 1.410 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.130 -1.181 -0.692 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.265 0.295 -0.659 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.677 0.223 5.241 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.397 0.135 5.935 1.00 0.00 C ATOM 1456 C ARG A 91 -1.445 -0.806 5.202 1.00 0.00 C ATOM 1457 O ARG A 91 -1.752 -1.982 5.001 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.604 -0.349 7.371 1.00 0.00 C ATOM 1459 CG ARG A 91 -1.325 -0.386 8.191 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.540 -1.077 9.529 1.00 0.00 C ATOM 1461 NE ARG A 91 -1.842 -2.497 9.370 1.00 0.00 N ATOM 1462 CZ ARG A 91 -2.222 -3.284 10.370 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -2.346 -2.792 11.595 1.00 0.00 N ATOM 1464 NH2 ARG A 91 -2.478 -4.566 10.146 1.00 0.00 N ATOM 0 H ARG A 91 -4.127 -0.676 5.070 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.953 1.130 5.955 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.324 0.303 7.865 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.041 -1.347 7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.548 -0.907 7.632 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.969 0.631 8.358 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.647 -0.963 10.143 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.357 -0.590 10.061 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.756 -2.907 8.440 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.149 -1.807 11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.638 -3.399 12.361 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.383 -4.948 9.205 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.770 -5.170 10.915 1.00 0.00 H new ATOM 1478 N CYS A 92 -0.292 -0.281 4.805 1.00 0.00 N ATOM 1479 CA CYS A 92 0.705 -1.074 4.093 1.00 0.00 C ATOM 1480 C CYS A 92 1.968 -1.239 4.932 1.00 0.00 C ATOM 1481 O CYS A 92 2.428 -0.294 5.570 1.00 0.00 O ATOM 1482 CB CYS A 92 1.048 -0.417 2.756 1.00 0.00 C ATOM 1483 SG CYS A 92 1.618 -1.575 1.490 1.00 0.00 S ATOM 0 H CYS A 92 -0.024 0.690 4.964 1.00 0.00 H new ATOM 0 HA CYS A 92 0.283 -2.062 3.906 1.00 0.00 H new ATOM 0 HB2 CYS A 92 0.167 0.107 2.384 1.00 0.00 H new ATOM 0 HB3 CYS A 92 1.820 0.335 2.920 1.00 0.00 H new ATOM 0 HG CYS A 92 1.679 -0.968 0.342 1.00 0.00 H new ATOM 1489 N GLU A 93 2.522 -2.448 4.925 1.00 0.00 N ATOM 1490 CA GLU A 93 3.731 -2.737 5.688 1.00 0.00 C ATOM 1491 C GLU A 93 4.792 -3.382 4.801 1.00 0.00 C ATOM 1492 O GLU A 93 4.509 -4.322 4.058 1.00 0.00 O ATOM 1493 CB GLU A 93 3.409 -3.655 6.868 1.00 0.00 C ATOM 1494 CG GLU A 93 2.900 -2.916 8.094 1.00 0.00 C ATOM 1495 CD GLU A 93 3.792 -1.755 8.488 1.00 0.00 C ATOM 1496 OE1 GLU A 93 4.977 -1.756 8.092 1.00 0.00 O ATOM 1497 OE2 GLU A 93 3.306 -0.846 9.192 1.00 0.00 O ATOM 0 H GLU A 93 2.154 -3.241 4.400 1.00 0.00 H new ATOM 0 HA GLU A 93 4.124 -1.794 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.660 -4.384 6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.305 -4.214 7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.894 -2.546 7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.827 -3.613 8.929 1.00 0.00 H new ATOM 1504 N VAL A 94 6.016 -2.870 4.884 1.00 0.00 N ATOM 1505 CA VAL A 94 7.120 -3.396 4.091 1.00 0.00 C ATOM 1506 C VAL A 94 8.301 -3.779 4.977 1.00 0.00 C ATOM 1507 O VAL A 94 8.940 -2.920 5.585 1.00 0.00 O ATOM 1508 CB VAL A 94 7.592 -2.375 3.039 1.00 0.00 C ATOM 1509 CG1 VAL A 94 7.876 -1.030 3.691 1.00 0.00 C ATOM 1510 CG2 VAL A 94 8.822 -2.892 2.308 1.00 0.00 C ATOM 0 H VAL A 94 6.268 -2.091 5.493 1.00 0.00 H new ATOM 0 HA VAL A 94 6.748 -4.285 3.582 1.00 0.00 H new ATOM 0 HB VAL A 94 6.795 -2.238 2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.208 -0.321 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.968 -0.656 4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.655 -1.148 4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.141 -2.158 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.627 -3.060 3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.580 -3.830 1.807 1.00 0.00 H new ATOM 1520 N THR A 95 8.586 -5.076 5.045 1.00 0.00 N ATOM 1521 CA THR A 95 9.689 -5.574 5.858 1.00 0.00 C ATOM 1522 C THR A 95 10.880 -5.962 4.989 1.00 0.00 C ATOM 1523 O THR A 95 10.814 -6.923 4.222 1.00 0.00 O ATOM 1524 CB THR A 95 9.262 -6.791 6.699 1.00 0.00 C ATOM 1525 OG1 THR A 95 7.965 -6.568 7.262 1.00 0.00 O ATOM 1526 CG2 THR A 95 10.265 -7.058 7.812 1.00 0.00 C ATOM 0 H THR A 95 8.068 -5.800 4.547 1.00 0.00 H new ATOM 0 HA THR A 95 9.980 -4.764 6.527 1.00 0.00 H new ATOM 0 HB THR A 95 9.228 -7.662 6.045 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.701 -7.348 7.794 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.942 -7.922 8.393 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.245 -7.257 7.379 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.327 -6.186 8.463 1.00 0.00 H new ATOM 1534 N TYR A 96 11.968 -5.211 5.114 1.00 0.00 N ATOM 1535 CA TYR A 96 13.173 -5.476 4.338 1.00 0.00 C ATOM 1536 C TYR A 96 14.337 -5.850 5.251 1.00 0.00 C ATOM 1537 O TYR A 96 14.565 -5.212 6.280 1.00 0.00 O ATOM 1538 CB TYR A 96 13.543 -4.253 3.497 1.00 0.00 C ATOM 1539 CG TYR A 96 14.741 -4.475 2.601 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.924 -5.682 1.938 1.00 0.00 C ATOM 1541 CD2 TYR A 96 15.689 -3.476 2.416 1.00 0.00 C ATOM 1542 CE1 TYR A 96 16.018 -5.889 1.120 1.00 0.00 C ATOM 1543 CE2 TYR A 96 16.784 -3.673 1.598 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.945 -4.881 0.952 1.00 0.00 C ATOM 1545 OH TYR A 96 18.034 -5.082 0.137 1.00 0.00 O ATOM 0 H TYR A 96 12.040 -4.413 5.746 1.00 0.00 H new ATOM 0 HA TYR A 96 12.970 -6.317 3.675 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.687 -3.972 2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.747 -3.414 4.162 1.00 0.00 H new ATOM 0 HD1 TYR A 96 14.199 -6.472 2.064 1.00 0.00 H new ATOM 0 HD2 TYR A 96 15.567 -2.529 2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.147 -6.835 0.615 1.00 0.00 H new ATOM 0 HE2 TYR A 96 17.511 -2.885 1.465 1.00 0.00 H new ATOM 0 HH TYR A 96 17.797 -5.711 -0.576 1.00 0.00 H new ATOM 1611 N PHE A 100 12.703 -1.953 8.232 1.00 0.00 N ATOM 1612 CA PHE A 100 11.275 -2.161 8.018 1.00 0.00 C ATOM 1613 C PHE A 100 10.505 -0.853 8.175 1.00 0.00 C ATOM 1614 O PHE A 100 10.495 -0.252 9.249 1.00 0.00 O ATOM 1615 CB PHE A 100 10.738 -3.204 9.000 1.00 0.00 C ATOM 1616 CG PHE A 100 9.293 -3.002 9.357 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.933 -2.142 10.382 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.295 -3.672 8.668 1.00 0.00 C ATOM 1619 CE1 PHE A 100 7.604 -1.955 10.714 1.00 0.00 C ATOM 1620 CE2 PHE A 100 6.964 -3.488 8.995 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.618 -2.628 10.018 1.00 0.00 C ATOM 0 HA PHE A 100 11.134 -2.524 7.000 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.862 -4.197 8.567 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.336 -3.176 9.911 1.00 0.00 H new ATOM 0 HD1 PHE A 100 9.699 -1.612 10.928 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.560 -4.346 7.866 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.337 -1.284 11.517 1.00 0.00 H new ATOM 0 HE2 PHE A 100 6.196 -4.017 8.450 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.579 -2.482 10.274 1.00 0.00 H new ATOM 1631 N ASP A 101 9.862 -0.419 7.097 1.00 0.00 N ATOM 1632 CA ASP A 101 9.089 0.817 7.114 1.00 0.00 C ATOM 1633 C ASP A 101 7.593 0.523 7.064 1.00 0.00 C ATOM 1634 O ASP A 101 7.181 -0.621 6.871 1.00 0.00 O ATOM 1635 CB ASP A 101 9.485 1.708 5.936 1.00 0.00 C ATOM 1636 CG ASP A 101 9.007 3.137 6.104 1.00 0.00 C ATOM 1637 OD1 ASP A 101 9.335 3.755 7.138 1.00 0.00 O ATOM 1638 OD2 ASP A 101 8.306 3.638 5.200 1.00 0.00 O ATOM 0 H ASP A 101 9.861 -0.905 6.200 1.00 0.00 H new ATOM 0 HA ASP A 101 9.308 1.340 8.045 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.570 1.701 5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 101 9.070 1.295 5.016 1.00 0.00 H new ATOM 1643 N SER A 102 6.784 1.563 7.240 1.00 0.00 N ATOM 1644 CA SER A 102 5.333 1.415 7.220 1.00 0.00 C ATOM 1645 C SER A 102 4.677 2.591 6.502 1.00 0.00 C ATOM 1646 O SER A 102 5.319 3.610 6.242 1.00 0.00 O ATOM 1647 CB SER A 102 4.791 1.307 8.647 1.00 0.00 C ATOM 1648 OG SER A 102 5.244 2.385 9.447 1.00 0.00 O ATOM 0 H SER A 102 7.108 2.517 7.398 1.00 0.00 H new ATOM 0 HA SER A 102 5.093 0.501 6.677 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.701 1.299 8.626 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.109 0.363 9.090 1.00 0.00 H new ATOM 0 HG SER A 102 4.883 2.294 10.353 1.00 0.00 H new ATOM 1654 N CYS A 103 3.396 2.442 6.185 1.00 0.00 N ATOM 1655 CA CYS A 103 2.652 3.490 5.496 1.00 0.00 C ATOM 1656 C CYS A 103 1.150 3.309 5.693 1.00 0.00 C ATOM 1657 O CYS A 103 0.658 2.186 5.797 1.00 0.00 O ATOM 1658 CB CYS A 103 2.988 3.486 4.004 1.00 0.00 C ATOM 1659 SG CYS A 103 1.921 4.551 3.005 1.00 0.00 S ATOM 0 H CYS A 103 2.851 1.606 6.394 1.00 0.00 H new ATOM 0 HA CYS A 103 2.943 4.450 5.923 1.00 0.00 H new ATOM 0 HB2 CYS A 103 4.023 3.802 3.875 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.918 2.465 3.629 1.00 0.00 H new ATOM 0 HG CYS A 103 2.164 5.796 3.288 1.00 0.00 H new ATOM 1665 N SER A 104 0.427 4.424 5.744 1.00 0.00 N ATOM 1666 CA SER A 104 -1.018 4.389 5.934 1.00 0.00 C ATOM 1667 C SER A 104 -1.702 5.463 5.094 1.00 0.00 C ATOM 1668 O SER A 104 -1.280 6.619 5.080 1.00 0.00 O ATOM 1669 CB SER A 104 -1.365 4.583 7.411 1.00 0.00 C ATOM 1670 OG SER A 104 -0.975 5.869 7.862 1.00 0.00 O ATOM 0 H SER A 104 0.819 5.362 5.656 1.00 0.00 H new ATOM 0 HA SER A 104 -1.379 3.413 5.609 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.437 4.453 7.556 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.868 3.819 8.008 1.00 0.00 H new ATOM 0 HG SER A 104 -0.847 6.461 7.092 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.762 5.072 4.394 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.506 6.000 3.549 1.00 0.00 C ATOM 1678 C PHE A 105 -5.009 5.810 3.726 1.00 0.00 C ATOM 1679 O PHE A 105 -5.452 4.962 4.501 1.00 0.00 O ATOM 1680 CB PHE A 105 -3.124 5.804 2.081 1.00 0.00 C ATOM 1681 CG PHE A 105 -2.838 4.373 1.721 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -1.695 3.744 2.186 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -3.712 3.659 0.917 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -1.429 2.428 1.858 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -3.452 2.343 0.586 1.00 0.00 C ATOM 1686 CZ PHE A 105 -2.308 1.727 1.056 1.00 0.00 C ATOM 0 H PHE A 105 -3.125 4.119 4.395 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.248 7.015 3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.933 6.174 1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.245 6.409 1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.004 4.288 2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.606 4.136 0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.535 1.949 2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.142 1.796 -0.039 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.102 0.699 0.797 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.789 6.606 3.002 1.00 0.00 N ATOM 1697 CA ASP A 106 -7.243 6.526 3.077 1.00 0.00 C ATOM 1698 C ASP A 106 -7.853 6.403 1.684 1.00 0.00 C ATOM 1699 O ASP A 106 -7.590 7.225 0.805 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.806 7.758 3.787 1.00 0.00 C ATOM 1701 CG ASP A 106 -7.401 9.052 3.110 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -6.187 9.341 3.062 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -8.297 9.777 2.629 1.00 0.00 O ATOM 0 H ASP A 106 -5.438 7.314 2.357 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.505 5.635 3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.894 7.692 3.816 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.460 7.768 4.820 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.667 5.372 1.490 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.315 5.140 0.203 1.00 0.00 C ATOM 1710 C LEU A 107 -10.795 5.504 0.264 1.00 0.00 C ATOM 1711 O LEU A 107 -11.475 5.208 1.246 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.154 3.677 -0.215 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.421 3.366 -1.688 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -10.916 3.282 -1.954 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -8.777 4.419 -2.579 1.00 0.00 C ATOM 0 H LEU A 107 -8.895 4.683 2.207 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.834 5.778 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.138 3.362 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.827 3.071 0.391 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.977 2.398 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.086 3.060 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.351 2.492 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.384 4.234 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.977 4.183 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.192 5.399 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.700 4.431 -2.409 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.286 6.145 -0.791 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.686 6.548 -0.857 1.00 0.00 C ATOM 1729 C GLU A 108 -13.388 5.885 -2.038 1.00 0.00 C ATOM 1730 O GLU A 108 -12.774 5.624 -3.073 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.797 8.070 -0.972 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.514 8.801 0.330 1.00 0.00 C ATOM 1733 CD GLU A 108 -11.049 9.159 0.491 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -10.191 8.338 0.107 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -10.762 10.262 1.001 1.00 0.00 O ATOM 0 H GLU A 108 -10.735 6.397 -1.612 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.174 6.224 0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.101 8.420 -1.734 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.800 8.328 -1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.113 9.711 0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.826 8.177 1.168 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.679 5.614 -1.876 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.466 4.982 -2.928 1.00 0.00 C ATOM 1744 C VAL A 109 -16.700 5.811 -3.264 1.00 0.00 C ATOM 1745 O VAL A 109 -17.551 6.054 -2.407 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.908 3.564 -2.523 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.608 2.871 -3.682 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.715 2.750 -2.047 1.00 0.00 C ATOM 0 H VAL A 109 -15.202 5.822 -1.026 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.825 4.917 -3.807 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.616 3.645 -1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.913 1.870 -3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.488 3.446 -3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.926 2.800 -4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -15.046 1.751 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.981 2.676 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.262 3.239 -1.185 1.00 0.00 H new ATOM 1758 N HIS A 110 -16.793 6.244 -4.518 1.00 0.00 N ATOM 1759 CA HIS A 110 -17.925 7.045 -4.969 1.00 0.00 C ATOM 1760 C HIS A 110 -18.901 6.199 -5.781 1.00 0.00 C ATOM 1761 O HIS A 110 -18.491 5.337 -6.557 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.439 8.228 -5.806 1.00 0.00 C ATOM 1763 CG HIS A 110 -16.778 9.303 -4.997 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -16.695 10.614 -5.415 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.170 9.254 -3.790 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.062 11.326 -4.499 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -15.733 10.524 -3.502 1.00 0.00 N ATOM 0 H HIS A 110 -16.098 6.053 -5.239 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.445 7.422 -4.088 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -16.737 7.867 -6.558 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.286 8.656 -6.341 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.050 8.379 -3.168 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -15.850 12.383 -4.556 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.236 10.803 -2.656 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.193 6.452 -5.595 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.226 5.712 -6.310 1.00 0.00 C ATOM 1778 C GLU A 111 -21.131 5.959 -7.813 1.00 0.00 C ATOM 1779 O GLU A 111 -21.235 7.096 -8.273 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.613 6.109 -5.803 1.00 0.00 C ATOM 1781 CG GLU A 111 -22.871 5.710 -4.360 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.350 5.620 -4.035 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -24.972 4.593 -4.375 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -24.885 6.579 -3.438 1.00 0.00 O ATOM 0 H GLU A 111 -20.549 7.163 -4.956 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.070 4.649 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -22.730 7.188 -5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.369 5.648 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.400 4.747 -4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.401 6.436 -3.697 1.00 0.00 H new ATOM 1791 N SER A 112 -20.933 4.887 -8.573 1.00 0.00 N ATOM 1792 CA SER A 112 -20.820 4.987 -10.023 1.00 0.00 C ATOM 1793 C SER A 112 -22.146 5.419 -10.643 1.00 0.00 C ATOM 1794 O SER A 112 -23.212 4.943 -10.252 1.00 0.00 O ATOM 1795 CB SER A 112 -20.380 3.647 -10.615 1.00 0.00 C ATOM 1796 OG SER A 112 -20.433 3.673 -12.031 1.00 0.00 O ATOM 0 H SER A 112 -20.847 3.938 -8.208 1.00 0.00 H new ATOM 0 HA SER A 112 -20.068 5.742 -10.253 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.365 3.418 -10.290 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.022 2.851 -10.238 1.00 0.00 H new ATOM 0 HG SER A 112 -20.145 2.806 -12.385 1.00 0.00 H new