USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.045 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -150:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -1.13 USER MOD Single : A 54 SER OG : rot 65:sc= 0.616 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.005) USER MOD Single : A 79 GLN : amide:sc= -0.0164 X(o=-0.016,f=-0.02) USER MOD Single : A 83 HIS : no HE2:sc= 0.93 K(o=0.93,f=-5.5!) USER MOD Single : A 84 HIS : no HD1:sc= -3.48! C(o=-3.5!,f=-8.8!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.023) USER MOD Single : A 99 MET CE :methyl -155:sc= -1.58 (180deg=-3.25!) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 13 -8.548 -6.123 -15.940 1.00 0.00 N ATOM 149 CA GLU A 13 -7.598 -6.540 -14.923 1.00 0.00 C ATOM 150 C GLU A 13 -6.744 -5.351 -14.475 1.00 0.00 C ATOM 151 O GLU A 13 -6.322 -4.541 -15.299 1.00 0.00 O ATOM 152 CB GLU A 13 -6.719 -7.686 -15.429 1.00 0.00 C ATOM 153 CG GLU A 13 -5.651 -7.172 -16.396 1.00 0.00 C ATOM 154 CD GLU A 13 -4.804 -8.325 -16.940 1.00 0.00 C ATOM 155 OE1 GLU A 13 -3.960 -8.824 -16.165 1.00 0.00 O ATOM 156 OE2 GLU A 13 -5.021 -8.681 -18.118 1.00 0.00 O ATOM 0 HA GLU A 13 -8.156 -6.907 -14.062 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.241 -8.183 -14.585 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.338 -8.431 -15.928 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.127 -6.644 -17.222 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.009 -6.453 -15.886 1.00 0.00 H new ATOM 163 N GLU A 14 -6.515 -5.286 -13.172 1.00 0.00 N ATOM 164 CA GLU A 14 -5.719 -4.210 -12.605 1.00 0.00 C ATOM 165 C GLU A 14 -4.546 -3.875 -13.528 1.00 0.00 C ATOM 166 O GLU A 14 -4.103 -4.718 -14.306 1.00 0.00 O ATOM 167 CB GLU A 14 -5.228 -4.572 -11.202 1.00 0.00 C ATOM 168 CG GLU A 14 -6.278 -4.222 -10.146 1.00 0.00 C ATOM 169 CD GLU A 14 -7.054 -5.467 -9.711 1.00 0.00 C ATOM 170 OE1 GLU A 14 -7.869 -5.942 -10.531 1.00 0.00 O ATOM 171 OE2 GLU A 14 -6.815 -5.915 -8.569 1.00 0.00 O ATOM 0 H GLU A 14 -6.866 -5.961 -12.492 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.349 -3.325 -12.516 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.002 -5.637 -11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.301 -4.040 -10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.792 -3.771 -9.281 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.969 -3.480 -10.547 1.00 0.00 H new ATOM 178 N GLU A 15 -4.076 -2.641 -13.411 1.00 0.00 N ATOM 179 CA GLU A 15 -2.963 -2.184 -14.225 1.00 0.00 C ATOM 180 C GLU A 15 -1.842 -1.644 -13.336 1.00 0.00 C ATOM 181 O GLU A 15 -2.037 -1.442 -12.138 1.00 0.00 O ATOM 182 CB GLU A 15 -3.419 -1.128 -15.234 1.00 0.00 C ATOM 183 CG GLU A 15 -4.353 -0.109 -14.578 1.00 0.00 C ATOM 184 CD GLU A 15 -4.737 0.997 -15.563 1.00 0.00 C ATOM 185 OE1 GLU A 15 -5.658 0.744 -16.369 1.00 0.00 O ATOM 186 OE2 GLU A 15 -4.101 2.070 -15.488 1.00 0.00 O ATOM 0 H GLU A 15 -4.446 -1.944 -12.765 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.577 -3.034 -14.788 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.550 -0.616 -15.648 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.930 -1.612 -16.066 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.252 -0.611 -14.221 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.865 0.328 -13.707 1.00 0.00 H new ATOM 193 N GLU A 16 -0.691 -1.426 -13.956 1.00 0.00 N ATOM 194 CA GLU A 16 0.462 -0.913 -13.235 1.00 0.00 C ATOM 195 C GLU A 16 0.416 0.615 -13.179 1.00 0.00 C ATOM 196 O GLU A 16 0.082 1.266 -14.168 1.00 0.00 O ATOM 197 CB GLU A 16 1.766 -1.400 -13.869 1.00 0.00 C ATOM 198 CG GLU A 16 2.121 -2.807 -13.383 1.00 0.00 C ATOM 199 CD GLU A 16 2.618 -3.678 -14.538 1.00 0.00 C ATOM 200 OE1 GLU A 16 1.757 -4.330 -15.167 1.00 0.00 O ATOM 201 OE2 GLU A 16 3.847 -3.671 -14.766 1.00 0.00 O ATOM 0 H GLU A 16 -0.532 -1.595 -14.949 1.00 0.00 H new ATOM 0 HA GLU A 16 0.428 -1.295 -12.215 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.669 -1.400 -14.955 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.574 -0.711 -13.622 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.889 -2.746 -12.612 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.246 -3.269 -12.925 1.00 0.00 H new ATOM 208 N LEU A 17 0.758 1.144 -12.013 1.00 0.00 N ATOM 209 CA LEU A 17 0.760 2.583 -11.816 1.00 0.00 C ATOM 210 C LEU A 17 1.977 2.976 -10.976 1.00 0.00 C ATOM 211 O LEU A 17 2.457 2.187 -10.164 1.00 0.00 O ATOM 212 CB LEU A 17 -0.572 3.045 -11.222 1.00 0.00 C ATOM 213 CG LEU A 17 -1.789 2.178 -11.551 1.00 0.00 C ATOM 214 CD1 LEU A 17 -2.905 2.389 -10.526 1.00 0.00 C ATOM 215 CD2 LEU A 17 -2.270 2.429 -12.982 1.00 0.00 C ATOM 0 H LEU A 17 1.036 0.601 -11.195 1.00 0.00 H new ATOM 0 HA LEU A 17 0.851 3.098 -12.772 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.467 3.093 -10.138 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.769 4.060 -11.568 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.490 1.132 -11.491 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.758 1.761 -10.783 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.543 2.121 -9.533 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.210 3.435 -10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.136 1.800 -13.190 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.547 3.477 -13.094 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.470 2.188 -13.682 1.00 0.00 H new ATOM 227 N THR A 18 2.442 4.197 -11.200 1.00 0.00 N ATOM 228 CA THR A 18 3.594 4.704 -10.474 1.00 0.00 C ATOM 229 C THR A 18 3.286 6.081 -9.882 1.00 0.00 C ATOM 230 O THR A 18 3.043 7.037 -10.617 1.00 0.00 O ATOM 231 CB THR A 18 4.790 4.706 -11.427 1.00 0.00 C ATOM 232 OG1 THR A 18 4.722 3.438 -12.073 1.00 0.00 O ATOM 233 CG2 THR A 18 6.129 4.675 -10.686 1.00 0.00 C ATOM 0 H THR A 18 2.042 4.850 -11.874 1.00 0.00 H new ATOM 0 HA THR A 18 3.839 4.066 -9.624 1.00 0.00 H new ATOM 0 HB THR A 18 4.746 5.591 -12.062 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.462 3.356 -12.711 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.945 4.678 -11.409 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.210 5.552 -10.044 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.187 3.773 -10.077 1.00 0.00 H new ATOM 241 N LEU A 19 3.308 6.139 -8.558 1.00 0.00 N ATOM 242 CA LEU A 19 3.034 7.383 -7.859 1.00 0.00 C ATOM 243 C LEU A 19 4.344 7.954 -7.313 1.00 0.00 C ATOM 244 O LEU A 19 5.325 7.229 -7.156 1.00 0.00 O ATOM 245 CB LEU A 19 1.963 7.171 -6.787 1.00 0.00 C ATOM 246 CG LEU A 19 0.512 7.220 -7.271 1.00 0.00 C ATOM 247 CD1 LEU A 19 0.338 8.265 -8.375 1.00 0.00 C ATOM 248 CD2 LEU A 19 0.033 5.836 -7.711 1.00 0.00 C ATOM 0 H LEU A 19 3.511 5.345 -7.951 1.00 0.00 H new ATOM 0 HA LEU A 19 2.623 8.123 -8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.136 6.204 -6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.094 7.930 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.117 7.527 -6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.702 8.280 -8.701 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.612 9.248 -7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.980 8.013 -9.219 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.001 5.900 -8.050 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.661 5.476 -8.526 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.097 5.145 -6.871 1.00 0.00 H new ATOM 260 N THR A 20 4.319 9.250 -7.039 1.00 0.00 N ATOM 261 CA THR A 20 5.492 9.928 -6.515 1.00 0.00 C ATOM 262 C THR A 20 5.102 10.857 -5.363 1.00 0.00 C ATOM 263 O THR A 20 4.382 11.834 -5.566 1.00 0.00 O ATOM 264 CB THR A 20 6.177 10.653 -7.675 1.00 0.00 C ATOM 265 OG1 THR A 20 6.165 9.701 -8.735 1.00 0.00 O ATOM 266 CG2 THR A 20 7.664 10.901 -7.414 1.00 0.00 C ATOM 0 H THR A 20 3.504 9.849 -7.170 1.00 0.00 H new ATOM 0 HA THR A 20 6.202 9.218 -6.092 1.00 0.00 H new ATOM 0 HB THR A 20 5.676 11.604 -7.854 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.589 10.089 -9.528 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.102 11.418 -8.268 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.779 11.514 -6.520 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.172 9.948 -7.268 1.00 0.00 H new ATOM 274 N ILE A 21 5.593 10.519 -4.180 1.00 0.00 N ATOM 275 CA ILE A 21 5.305 11.311 -2.996 1.00 0.00 C ATOM 276 C ILE A 21 6.526 12.165 -2.650 1.00 0.00 C ATOM 277 O ILE A 21 7.650 11.827 -3.017 1.00 0.00 O ATOM 278 CB ILE A 21 4.839 10.411 -1.851 1.00 0.00 C ATOM 279 CG1 ILE A 21 3.757 9.437 -2.324 1.00 0.00 C ATOM 280 CG2 ILE A 21 4.376 11.243 -0.653 1.00 0.00 C ATOM 281 CD1 ILE A 21 3.925 8.067 -1.663 1.00 0.00 C ATOM 0 H ILE A 21 6.189 9.707 -4.016 1.00 0.00 H new ATOM 0 HA ILE A 21 4.480 11.997 -3.187 1.00 0.00 H new ATOM 0 HB ILE A 21 5.688 9.813 -1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.772 9.840 -2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.807 9.330 -3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.050 10.579 0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.201 11.861 -0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.547 11.883 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.144 7.394 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.901 7.656 -1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.850 8.173 -0.581 1.00 0.00 H new ATOM 293 N LEU A 22 6.264 13.257 -1.945 1.00 0.00 N ATOM 294 CA LEU A 22 7.327 14.162 -1.545 1.00 0.00 C ATOM 295 C LEU A 22 7.602 13.989 -0.050 1.00 0.00 C ATOM 296 O LEU A 22 6.874 14.523 0.785 1.00 0.00 O ATOM 297 CB LEU A 22 6.987 15.599 -1.945 1.00 0.00 C ATOM 298 CG LEU A 22 7.035 15.908 -3.443 1.00 0.00 C ATOM 299 CD1 LEU A 22 8.299 16.691 -3.801 1.00 0.00 C ATOM 300 CD2 LEU A 22 6.899 14.628 -4.271 1.00 0.00 C ATOM 0 H LEU A 22 5.331 13.534 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 22 8.251 13.920 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.987 15.830 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.677 16.270 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 22 6.183 16.543 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.308 16.898 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.313 17.631 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.178 16.103 -3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.936 14.875 -5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.716 13.949 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.948 14.147 -4.044 1.00 0.00 H new ATOM 312 N ARG A 23 8.656 13.240 0.243 1.00 0.00 N ATOM 313 CA ARG A 23 9.036 12.990 1.622 1.00 0.00 C ATOM 314 C ARG A 23 8.996 14.290 2.428 1.00 0.00 C ATOM 315 O ARG A 23 9.810 15.186 2.208 1.00 0.00 O ATOM 316 CB ARG A 23 10.440 12.388 1.706 1.00 0.00 C ATOM 317 CG ARG A 23 10.560 11.440 2.901 1.00 0.00 C ATOM 318 CD ARG A 23 11.705 10.445 2.698 1.00 0.00 C ATOM 319 NE ARG A 23 12.377 10.176 3.989 1.00 0.00 N ATOM 320 CZ ARG A 23 13.188 11.045 4.608 1.00 0.00 C ATOM 321 NH1 ARG A 23 13.433 12.242 4.058 1.00 0.00 N ATOM 322 NH2 ARG A 23 13.755 10.716 5.777 1.00 0.00 N ATOM 0 H ARG A 23 9.258 12.799 -0.452 1.00 0.00 H new ATOM 0 HA ARG A 23 8.323 12.279 2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.664 11.849 0.786 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.177 13.186 1.795 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.730 12.016 3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.623 10.899 3.037 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.320 9.516 2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.423 10.845 1.982 1.00 0.00 H new ATOM 0 HE ARG A 23 12.213 9.274 4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.002 12.492 3.168 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.050 12.903 4.529 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.569 9.804 6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.372 11.377 6.248 1.00 0.00 H new ATOM 381 N LEU A 28 5.637 9.021 4.273 1.00 0.00 N ATOM 382 CA LEU A 28 4.369 9.251 3.601 1.00 0.00 C ATOM 383 C LEU A 28 3.239 9.233 4.633 1.00 0.00 C ATOM 384 O LEU A 28 3.484 9.389 5.829 1.00 0.00 O ATOM 385 CB LEU A 28 4.177 8.247 2.462 1.00 0.00 C ATOM 386 CG LEU A 28 5.450 7.589 1.926 1.00 0.00 C ATOM 387 CD1 LEU A 28 6.425 8.638 1.389 1.00 0.00 C ATOM 388 CD2 LEU A 28 6.095 6.697 2.989 1.00 0.00 C ATOM 0 HA LEU A 28 4.359 10.235 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.503 7.462 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.679 8.755 1.636 1.00 0.00 H new ATOM 0 HG LEU A 28 5.176 6.946 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.321 8.144 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.952 9.194 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.698 9.325 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.998 6.241 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.353 7.298 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.394 5.915 3.282 1.00 0.00 H new ATOM 400 N GLY A 29 2.027 9.042 4.134 1.00 0.00 N ATOM 401 CA GLY A 29 0.860 9.002 4.998 1.00 0.00 C ATOM 402 C GLY A 29 -0.100 7.889 4.571 1.00 0.00 C ATOM 403 O GLY A 29 -1.284 8.138 4.348 1.00 0.00 O ATOM 0 H GLY A 29 1.828 8.913 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.172 8.842 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.346 9.963 4.966 1.00 0.00 H new ATOM 407 N ILE A 30 0.446 6.687 4.470 1.00 0.00 N ATOM 408 CA ILE A 30 -0.347 5.535 4.075 1.00 0.00 C ATOM 409 C ILE A 30 0.029 4.338 4.950 1.00 0.00 C ATOM 410 O ILE A 30 1.043 4.366 5.645 1.00 0.00 O ATOM 411 CB ILE A 30 -0.197 5.272 2.575 1.00 0.00 C ATOM 412 CG1 ILE A 30 1.277 5.138 2.186 1.00 0.00 C ATOM 413 CG2 ILE A 30 -0.911 6.348 1.755 1.00 0.00 C ATOM 414 CD1 ILE A 30 1.424 4.490 0.808 1.00 0.00 C ATOM 0 H ILE A 30 1.429 6.485 4.655 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.407 5.728 4.238 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.678 4.321 2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.746 6.122 2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.800 4.539 2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.789 6.137 0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.972 6.351 2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.482 7.324 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.481 4.407 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.975 3.497 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.920 5.104 0.062 1.00 0.00 H new ATOM 426 N SER A 31 -0.810 3.314 4.888 1.00 0.00 N ATOM 427 CA SER A 31 -0.579 2.109 5.666 1.00 0.00 C ATOM 428 C SER A 31 -0.461 0.900 4.736 1.00 0.00 C ATOM 429 O SER A 31 -1.160 0.817 3.728 1.00 0.00 O ATOM 430 CB SER A 31 -1.699 1.888 6.684 1.00 0.00 C ATOM 431 OG SER A 31 -1.245 2.062 8.024 1.00 0.00 O ATOM 0 H SER A 31 -1.651 3.294 4.311 1.00 0.00 H new ATOM 0 HA SER A 31 0.355 2.230 6.214 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.513 2.584 6.484 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.103 0.883 6.566 1.00 0.00 H new ATOM 0 HG SER A 31 -1.990 1.914 8.644 1.00 0.00 H new ATOM 437 N ILE A 32 0.429 -0.008 5.109 1.00 0.00 N ATOM 438 CA ILE A 32 0.647 -1.209 4.320 1.00 0.00 C ATOM 439 C ILE A 32 0.187 -2.430 5.120 1.00 0.00 C ATOM 440 O ILE A 32 0.122 -2.384 6.347 1.00 0.00 O ATOM 441 CB ILE A 32 2.104 -1.290 3.860 1.00 0.00 C ATOM 442 CG1 ILE A 32 3.050 -1.432 5.054 1.00 0.00 C ATOM 443 CG2 ILE A 32 2.468 -0.093 2.979 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.405 -1.991 4.617 1.00 0.00 C ATOM 0 H ILE A 32 1.007 0.064 5.946 1.00 0.00 H new ATOM 0 HA ILE A 32 0.049 -1.180 3.409 1.00 0.00 H new ATOM 0 HB ILE A 32 2.220 -2.186 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.189 -0.461 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.604 -2.091 5.799 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.509 -0.175 2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.824 -0.079 2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.331 0.829 3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.058 -2.082 5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.265 -2.972 4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.859 -1.318 3.890 1.00 0.00 H new ATOM 456 N ALA A 33 -0.122 -3.492 4.391 1.00 0.00 N ATOM 457 CA ALA A 33 -0.575 -4.723 5.017 1.00 0.00 C ATOM 458 C ALA A 33 -0.384 -5.886 4.042 1.00 0.00 C ATOM 459 O ALA A 33 -1.057 -5.957 3.015 1.00 0.00 O ATOM 460 CB ALA A 33 -2.032 -4.565 5.458 1.00 0.00 C ATOM 0 H ALA A 33 -0.068 -3.526 3.373 1.00 0.00 H new ATOM 0 HA ALA A 33 0.014 -4.940 5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.372 -5.488 5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.109 -3.745 6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.654 -4.349 4.589 1.00 0.00 H new ATOM 466 N GLY A 34 0.537 -6.770 4.398 1.00 0.00 N ATOM 467 CA GLY A 34 0.826 -7.926 3.568 1.00 0.00 C ATOM 468 C GLY A 34 2.289 -8.351 3.708 1.00 0.00 C ATOM 469 O GLY A 34 2.904 -8.136 4.751 1.00 0.00 O ATOM 0 H GLY A 34 1.093 -6.708 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.175 -8.753 3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.610 -7.693 2.525 1.00 0.00 H new ATOM 473 N GLY A 35 2.804 -8.947 2.642 1.00 0.00 N ATOM 474 CA GLY A 35 4.183 -9.403 2.633 1.00 0.00 C ATOM 475 C GLY A 35 4.255 -10.931 2.685 1.00 0.00 C ATOM 476 O GLY A 35 3.357 -11.581 3.218 1.00 0.00 O ATOM 0 H GLY A 35 2.290 -9.124 1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.683 -9.042 1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.715 -8.981 3.486 1.00 0.00 H new ATOM 480 N LYS A 36 5.332 -11.460 2.124 1.00 0.00 N ATOM 481 CA LYS A 36 5.533 -12.899 2.100 1.00 0.00 C ATOM 482 C LYS A 36 5.383 -13.454 3.517 1.00 0.00 C ATOM 483 O LYS A 36 5.917 -12.888 4.470 1.00 0.00 O ATOM 484 CB LYS A 36 6.872 -13.242 1.443 1.00 0.00 C ATOM 485 CG LYS A 36 7.023 -14.753 1.262 1.00 0.00 C ATOM 486 CD LYS A 36 8.318 -15.091 0.521 1.00 0.00 C ATOM 487 CE LYS A 36 8.163 -14.865 -0.984 1.00 0.00 C ATOM 488 NZ LYS A 36 7.882 -16.144 -1.673 1.00 0.00 N ATOM 0 H LYS A 36 6.075 -10.918 1.682 1.00 0.00 H new ATOM 0 HA LYS A 36 4.771 -13.380 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.943 -12.747 0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.690 -12.862 2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.020 -15.241 2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.170 -15.143 0.707 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.131 -14.474 0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.589 -16.130 0.710 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.354 -14.159 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.073 -14.420 -1.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.780 -15.973 -2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.667 -16.806 -1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.001 -16.553 -1.300 1.00 0.00 H new ATOM 502 N GLY A 37 4.655 -14.557 3.612 1.00 0.00 N ATOM 503 CA GLY A 37 4.428 -15.195 4.898 1.00 0.00 C ATOM 504 C GLY A 37 3.303 -14.498 5.666 1.00 0.00 C ATOM 505 O GLY A 37 2.319 -15.131 6.043 1.00 0.00 O ATOM 0 H GLY A 37 4.215 -15.025 2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.174 -16.244 4.747 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.345 -15.170 5.487 1.00 0.00 H new ATOM 509 N SER A 38 3.488 -13.202 5.874 1.00 0.00 N ATOM 510 CA SER A 38 2.501 -12.412 6.590 1.00 0.00 C ATOM 511 C SER A 38 1.133 -12.549 5.919 1.00 0.00 C ATOM 512 O SER A 38 1.045 -12.935 4.754 1.00 0.00 O ATOM 513 CB SER A 38 2.916 -10.940 6.655 1.00 0.00 C ATOM 514 OG SER A 38 4.150 -10.763 7.344 1.00 0.00 O ATOM 0 H SER A 38 4.306 -12.680 5.559 1.00 0.00 H new ATOM 0 HA SER A 38 2.436 -12.789 7.611 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.006 -10.544 5.644 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.136 -10.365 7.155 1.00 0.00 H new ATOM 0 HG SER A 38 4.159 -9.885 7.779 1.00 0.00 H new ATOM 520 N THR A 39 0.100 -12.225 6.682 1.00 0.00 N ATOM 521 CA THR A 39 -1.260 -12.307 6.176 1.00 0.00 C ATOM 522 C THR A 39 -1.488 -11.256 5.088 1.00 0.00 C ATOM 523 O THR A 39 -1.012 -10.127 5.200 1.00 0.00 O ATOM 524 CB THR A 39 -2.215 -12.171 7.362 1.00 0.00 C ATOM 525 OG1 THR A 39 -1.940 -13.318 8.163 1.00 0.00 O ATOM 526 CG2 THR A 39 -3.681 -12.343 6.957 1.00 0.00 C ATOM 0 H THR A 39 0.177 -11.905 7.647 1.00 0.00 H new ATOM 0 HA THR A 39 -1.447 -13.269 5.699 1.00 0.00 H new ATOM 0 HB THR A 39 -2.079 -11.194 7.827 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.516 -13.309 8.956 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.316 -12.237 7.836 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.947 -11.582 6.223 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.825 -13.332 6.523 1.00 0.00 H new ATOM 534 N PRO A 40 -2.236 -11.674 4.032 1.00 0.00 N ATOM 535 CA PRO A 40 -2.533 -10.781 2.925 1.00 0.00 C ATOM 536 C PRO A 40 -3.599 -9.756 3.318 1.00 0.00 C ATOM 537 O PRO A 40 -4.012 -9.697 4.475 1.00 0.00 O ATOM 538 CB PRO A 40 -2.976 -11.693 1.792 1.00 0.00 C ATOM 539 CG PRO A 40 -3.355 -13.013 2.444 1.00 0.00 C ATOM 540 CD PRO A 40 -2.817 -13.003 3.865 1.00 0.00 C ATOM 0 HA PRO A 40 -1.673 -10.183 2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.823 -11.265 1.255 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.175 -11.832 1.066 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.438 -13.140 2.447 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.937 -13.849 1.884 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.611 -13.182 4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.070 -13.783 4.011 1.00 0.00 H new ATOM 548 N TYR A 41 -4.014 -8.974 2.333 1.00 0.00 N ATOM 549 CA TYR A 41 -5.024 -7.954 2.561 1.00 0.00 C ATOM 550 C TYR A 41 -6.291 -8.247 1.755 1.00 0.00 C ATOM 551 O TYR A 41 -7.396 -7.928 2.191 1.00 0.00 O ATOM 552 CB TYR A 41 -4.414 -6.640 2.071 1.00 0.00 C ATOM 553 CG TYR A 41 -5.431 -5.511 1.890 1.00 0.00 C ATOM 554 CD1 TYR A 41 -6.297 -5.529 0.816 1.00 0.00 C ATOM 555 CD2 TYR A 41 -5.482 -4.476 2.801 1.00 0.00 C ATOM 556 CE1 TYR A 41 -7.254 -4.466 0.646 1.00 0.00 C ATOM 557 CE2 TYR A 41 -6.439 -3.414 2.631 1.00 0.00 C ATOM 558 CZ TYR A 41 -7.278 -3.461 1.561 1.00 0.00 C ATOM 559 OH TYR A 41 -8.182 -2.458 1.401 1.00 0.00 O ATOM 0 H TYR A 41 -3.669 -9.026 1.374 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.303 -7.918 3.614 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.652 -6.318 2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.910 -6.817 1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.257 -6.340 0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.804 -4.463 3.642 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.938 -4.467 -0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.490 -2.598 3.337 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.085 -1.811 2.130 1.00 0.00 H new ATOM 569 N LYS A 42 -6.088 -8.851 0.593 1.00 0.00 N ATOM 570 CA LYS A 42 -7.200 -9.190 -0.278 1.00 0.00 C ATOM 571 C LYS A 42 -7.463 -10.695 -0.200 1.00 0.00 C ATOM 572 O LYS A 42 -8.368 -11.134 0.508 1.00 0.00 O ATOM 573 CB LYS A 42 -6.942 -8.684 -1.699 1.00 0.00 C ATOM 574 CG LYS A 42 -7.815 -7.468 -2.015 1.00 0.00 C ATOM 575 CD LYS A 42 -7.299 -6.729 -3.252 1.00 0.00 C ATOM 576 CE LYS A 42 -8.458 -6.175 -4.083 1.00 0.00 C ATOM 577 NZ LYS A 42 -8.222 -4.753 -4.418 1.00 0.00 N ATOM 0 H LYS A 42 -5.170 -9.114 0.235 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.109 -8.689 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.890 -8.420 -1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.148 -9.480 -2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.844 -7.788 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.825 -6.791 -1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.644 -5.913 -2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.701 -7.406 -3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.568 -6.757 -4.998 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.391 -6.274 -3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.018 -4.393 -4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.140 -4.199 -3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.342 -4.667 -4.966 1.00 0.00 H new ATOM 591 N GLY A 43 -6.656 -11.444 -0.937 1.00 0.00 N ATOM 592 CA GLY A 43 -6.790 -12.890 -0.960 1.00 0.00 C ATOM 593 C GLY A 43 -5.437 -13.570 -0.739 1.00 0.00 C ATOM 594 O GLY A 43 -4.560 -13.015 -0.079 1.00 0.00 O ATOM 0 H GLY A 43 -5.907 -11.076 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.490 -13.206 -0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.207 -13.205 -1.916 1.00 0.00 H new ATOM 598 N ASP A 44 -5.311 -14.761 -1.305 1.00 0.00 N ATOM 599 CA ASP A 44 -4.080 -15.523 -1.179 1.00 0.00 C ATOM 600 C ASP A 44 -3.005 -14.898 -2.070 1.00 0.00 C ATOM 601 O ASP A 44 -2.537 -15.527 -3.018 1.00 0.00 O ATOM 602 CB ASP A 44 -4.280 -16.972 -1.625 1.00 0.00 C ATOM 603 CG ASP A 44 -4.900 -17.893 -0.572 1.00 0.00 C ATOM 604 OD1 ASP A 44 -5.200 -17.378 0.527 1.00 0.00 O ATOM 605 OD2 ASP A 44 -5.059 -19.092 -0.890 1.00 0.00 O ATOM 0 H ASP A 44 -6.041 -15.217 -1.852 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.780 -15.507 -0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.915 -16.979 -2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.314 -17.382 -1.921 1.00 0.00 H new ATOM 610 N ASP A 45 -2.644 -13.668 -1.735 1.00 0.00 N ATOM 611 CA ASP A 45 -1.633 -12.951 -2.493 1.00 0.00 C ATOM 612 C ASP A 45 -0.525 -12.487 -1.546 1.00 0.00 C ATOM 613 O ASP A 45 -0.775 -11.711 -0.625 1.00 0.00 O ATOM 614 CB ASP A 45 -2.227 -11.713 -3.169 1.00 0.00 C ATOM 615 CG ASP A 45 -2.852 -11.964 -4.543 1.00 0.00 C ATOM 616 OD1 ASP A 45 -2.251 -12.752 -5.305 1.00 0.00 O ATOM 617 OD2 ASP A 45 -3.916 -11.361 -4.801 1.00 0.00 O ATOM 0 H ASP A 45 -3.034 -13.149 -0.948 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.241 -13.625 -3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.987 -11.289 -2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.443 -10.964 -3.275 1.00 0.00 H new ATOM 622 N GLU A 46 0.676 -12.981 -1.805 1.00 0.00 N ATOM 623 CA GLU A 46 1.824 -12.627 -0.987 1.00 0.00 C ATOM 624 C GLU A 46 2.408 -11.289 -1.444 1.00 0.00 C ATOM 625 O GLU A 46 3.603 -11.192 -1.721 1.00 0.00 O ATOM 626 CB GLU A 46 2.884 -13.729 -1.023 1.00 0.00 C ATOM 627 CG GLU A 46 2.365 -15.011 -0.368 1.00 0.00 C ATOM 628 CD GLU A 46 2.557 -16.216 -1.291 1.00 0.00 C ATOM 629 OE1 GLU A 46 3.733 -16.565 -1.532 1.00 0.00 O ATOM 630 OE2 GLU A 46 1.523 -16.760 -1.736 1.00 0.00 O ATOM 0 H GLU A 46 0.880 -13.624 -2.570 1.00 0.00 H new ATOM 0 HA GLU A 46 1.492 -12.523 0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.167 -13.933 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.783 -13.391 -0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.890 -15.181 0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.308 -14.898 -0.127 1.00 0.00 H new ATOM 637 N GLY A 47 1.539 -10.291 -1.508 1.00 0.00 N ATOM 638 CA GLY A 47 1.955 -8.963 -1.926 1.00 0.00 C ATOM 639 C GLY A 47 1.580 -7.915 -0.876 1.00 0.00 C ATOM 640 O GLY A 47 0.773 -8.183 0.013 1.00 0.00 O ATOM 0 H GLY A 47 0.549 -10.375 -1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.033 -8.950 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.486 -8.714 -2.878 1.00 0.00 H new ATOM 644 N ILE A 48 2.185 -6.744 -1.013 1.00 0.00 N ATOM 645 CA ILE A 48 1.925 -5.655 -0.087 1.00 0.00 C ATOM 646 C ILE A 48 0.824 -4.758 -0.657 1.00 0.00 C ATOM 647 O ILE A 48 0.921 -4.294 -1.792 1.00 0.00 O ATOM 648 CB ILE A 48 3.220 -4.907 0.238 1.00 0.00 C ATOM 649 CG1 ILE A 48 4.236 -5.835 0.906 1.00 0.00 C ATOM 650 CG2 ILE A 48 2.937 -3.663 1.082 1.00 0.00 C ATOM 651 CD1 ILE A 48 3.994 -5.917 2.415 1.00 0.00 C ATOM 0 H ILE A 48 2.854 -6.526 -1.751 1.00 0.00 H new ATOM 0 HA ILE A 48 1.560 -6.043 0.864 1.00 0.00 H new ATOM 0 HB ILE A 48 3.663 -4.567 -0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.167 -6.831 0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.246 -5.472 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.874 -3.150 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.275 -2.993 0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.460 -3.958 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.730 -6.583 2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.088 -4.923 2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.992 -6.303 2.602 1.00 0.00 H new ATOM 663 N PHE A 49 -0.199 -4.541 0.157 1.00 0.00 N ATOM 664 CA PHE A 49 -1.317 -3.709 -0.252 1.00 0.00 C ATOM 665 C PHE A 49 -1.498 -2.526 0.701 1.00 0.00 C ATOM 666 O PHE A 49 -0.977 -2.537 1.815 1.00 0.00 O ATOM 667 CB PHE A 49 -2.570 -4.586 -0.201 1.00 0.00 C ATOM 668 CG PHE A 49 -2.750 -5.487 -1.423 1.00 0.00 C ATOM 669 CD1 PHE A 49 -1.877 -6.505 -1.651 1.00 0.00 C ATOM 670 CD2 PHE A 49 -3.782 -5.271 -2.282 1.00 0.00 C ATOM 671 CE1 PHE A 49 -2.044 -7.343 -2.786 1.00 0.00 C ATOM 672 CE2 PHE A 49 -3.948 -6.108 -3.417 1.00 0.00 C ATOM 673 CZ PHE A 49 -3.076 -7.126 -3.645 1.00 0.00 C ATOM 0 H PHE A 49 -0.277 -4.927 1.098 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.139 -3.312 -1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.529 -5.208 0.693 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.446 -3.945 -0.103 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.057 -6.676 -0.969 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.475 -4.463 -2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.352 -8.152 -2.967 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.767 -5.936 -4.099 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.203 -7.762 -4.508 1.00 0.00 H new ATOM 683 N ILE A 50 -2.236 -1.533 0.228 1.00 0.00 N ATOM 684 CA ILE A 50 -2.492 -0.345 1.024 1.00 0.00 C ATOM 685 C ILE A 50 -3.637 -0.626 1.999 1.00 0.00 C ATOM 686 O ILE A 50 -4.716 -1.051 1.589 1.00 0.00 O ATOM 687 CB ILE A 50 -2.737 0.864 0.119 1.00 0.00 C ATOM 688 CG1 ILE A 50 -1.547 1.103 -0.812 1.00 0.00 C ATOM 689 CG2 ILE A 50 -3.078 2.107 0.944 1.00 0.00 C ATOM 690 CD1 ILE A 50 -0.223 0.941 -0.063 1.00 0.00 C ATOM 0 H ILE A 50 -2.665 -1.527 -0.697 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.617 -0.093 1.624 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.600 0.649 -0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.586 0.401 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.608 2.105 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.247 2.952 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.979 1.920 1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.251 2.336 1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.606 1.116 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.177 1.661 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.154 -0.070 0.339 1.00 0.00 H new ATOM 702 N SER A 51 -3.363 -0.377 3.271 1.00 0.00 N ATOM 703 CA SER A 51 -4.357 -0.598 4.308 1.00 0.00 C ATOM 704 C SER A 51 -5.156 0.685 4.548 1.00 0.00 C ATOM 705 O SER A 51 -6.332 0.629 4.907 1.00 0.00 O ATOM 706 CB SER A 51 -3.701 -1.066 5.608 1.00 0.00 C ATOM 707 OG SER A 51 -4.007 -0.204 6.701 1.00 0.00 O ATOM 0 H SER A 51 -2.467 -0.024 3.607 1.00 0.00 H new ATOM 0 HA SER A 51 -5.034 -1.383 3.972 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.035 -2.077 5.839 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.620 -1.111 5.473 1.00 0.00 H new ATOM 0 HG SER A 51 -3.571 -0.538 7.513 1.00 0.00 H new ATOM 713 N ARG A 52 -4.487 1.809 4.340 1.00 0.00 N ATOM 714 CA ARG A 52 -5.121 3.103 4.530 1.00 0.00 C ATOM 715 C ARG A 52 -4.358 4.185 3.763 1.00 0.00 C ATOM 716 O ARG A 52 -3.190 4.002 3.421 1.00 0.00 O ATOM 717 CB ARG A 52 -5.172 3.479 6.012 1.00 0.00 C ATOM 718 CG ARG A 52 -6.194 4.590 6.260 1.00 0.00 C ATOM 719 CD ARG A 52 -7.576 4.192 5.737 1.00 0.00 C ATOM 720 NE ARG A 52 -8.630 4.777 6.595 1.00 0.00 N ATOM 721 CZ ARG A 52 -9.901 4.355 6.616 1.00 0.00 C ATOM 722 NH1 ARG A 52 -10.284 3.343 5.827 1.00 0.00 N ATOM 723 NH2 ARG A 52 -10.790 4.946 7.427 1.00 0.00 N ATOM 0 H ARG A 52 -3.512 1.851 4.042 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.140 3.032 4.149 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.432 2.602 6.605 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.186 3.806 6.342 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.253 4.803 7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.866 5.507 5.770 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.698 4.537 4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.669 3.106 5.722 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.373 5.550 7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.608 2.893 5.210 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.252 3.022 5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.498 5.717 8.028 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.758 4.625 7.443 1.00 0.00 H new ATOM 737 N VAL A 53 -5.049 5.287 3.513 1.00 0.00 N ATOM 738 CA VAL A 53 -4.452 6.398 2.793 1.00 0.00 C ATOM 739 C VAL A 53 -4.843 7.712 3.473 1.00 0.00 C ATOM 740 O VAL A 53 -6.027 8.021 3.598 1.00 0.00 O ATOM 741 CB VAL A 53 -4.858 6.345 1.318 1.00 0.00 C ATOM 742 CG1 VAL A 53 -4.761 7.728 0.673 1.00 0.00 C ATOM 743 CG2 VAL A 53 -4.014 5.323 0.554 1.00 0.00 C ATOM 0 H VAL A 53 -6.018 5.434 3.797 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.365 6.329 2.820 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.899 6.025 1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.055 7.662 -0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.424 8.419 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.735 8.090 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.322 5.305 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.962 5.600 0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.156 4.335 0.991 1.00 0.00 H new ATOM 753 N SER A 54 -3.826 8.448 3.895 1.00 0.00 N ATOM 754 CA SER A 54 -4.049 9.721 4.560 1.00 0.00 C ATOM 755 C SER A 54 -4.851 10.653 3.650 1.00 0.00 C ATOM 756 O SER A 54 -4.343 11.125 2.635 1.00 0.00 O ATOM 757 CB SER A 54 -2.723 10.376 4.954 1.00 0.00 C ATOM 758 OG SER A 54 -2.192 9.824 6.155 1.00 0.00 O ATOM 0 H SER A 54 -2.845 8.188 3.790 1.00 0.00 H new ATOM 0 HA SER A 54 -4.617 9.536 5.472 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.002 10.249 4.147 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.872 11.448 5.083 1.00 0.00 H new ATOM 0 HG SER A 54 -1.959 8.883 6.008 1.00 0.00 H new ATOM 764 N GLU A 55 -6.093 10.890 4.047 1.00 0.00 N ATOM 765 CA GLU A 55 -6.971 11.757 3.280 1.00 0.00 C ATOM 766 C GLU A 55 -6.274 13.085 2.977 1.00 0.00 C ATOM 767 O GLU A 55 -6.219 13.513 1.825 1.00 0.00 O ATOM 768 CB GLU A 55 -8.293 11.987 4.015 1.00 0.00 C ATOM 769 CG GLU A 55 -9.470 11.423 3.216 1.00 0.00 C ATOM 770 CD GLU A 55 -10.713 12.301 3.376 1.00 0.00 C ATOM 771 OE1 GLU A 55 -10.694 13.418 2.816 1.00 0.00 O ATOM 772 OE2 GLU A 55 -11.653 11.835 4.055 1.00 0.00 O ATOM 0 H GLU A 55 -6.512 10.497 4.890 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.199 11.265 2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.255 11.514 4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.440 13.054 4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.200 11.357 2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.690 10.410 3.553 1.00 0.00 H new ATOM 779 N GLU A 56 -5.759 13.700 4.032 1.00 0.00 N ATOM 780 CA GLU A 56 -5.067 14.971 3.893 1.00 0.00 C ATOM 781 C GLU A 56 -3.560 14.777 4.074 1.00 0.00 C ATOM 782 O GLU A 56 -2.902 15.582 4.733 1.00 0.00 O ATOM 783 CB GLU A 56 -5.611 16.002 4.885 1.00 0.00 C ATOM 784 CG GLU A 56 -6.107 17.253 4.157 1.00 0.00 C ATOM 785 CD GLU A 56 -6.823 18.200 5.122 1.00 0.00 C ATOM 786 OE1 GLU A 56 -6.275 18.406 6.226 1.00 0.00 O ATOM 787 OE2 GLU A 56 -7.903 18.696 4.734 1.00 0.00 O ATOM 0 H GLU A 56 -5.807 13.342 4.986 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.246 15.353 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.427 15.564 5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.831 16.275 5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.264 17.767 3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.785 16.966 3.353 1.00 0.00 H new ATOM 794 N GLY A 57 -3.058 13.706 3.479 1.00 0.00 N ATOM 795 CA GLY A 57 -1.641 13.397 3.566 1.00 0.00 C ATOM 796 C GLY A 57 -0.936 13.672 2.236 1.00 0.00 C ATOM 797 O GLY A 57 -1.552 14.171 1.295 1.00 0.00 O ATOM 0 H GLY A 57 -3.607 13.041 2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.183 13.994 4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.510 12.351 3.841 1.00 0.00 H new ATOM 801 N PRO A 58 0.378 13.326 2.199 1.00 0.00 N ATOM 802 CA PRO A 58 1.173 13.530 1.000 1.00 0.00 C ATOM 803 C PRO A 58 0.833 12.488 -0.068 1.00 0.00 C ATOM 804 O PRO A 58 0.856 12.786 -1.261 1.00 0.00 O ATOM 805 CB PRO A 58 2.617 13.453 1.467 1.00 0.00 C ATOM 806 CG PRO A 58 2.582 12.749 2.814 1.00 0.00 C ATOM 807 CD PRO A 58 1.140 12.733 3.294 1.00 0.00 C ATOM 0 HA PRO A 58 0.974 14.489 0.522 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.229 12.901 0.754 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.052 14.448 1.558 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.966 11.733 2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.218 13.267 3.532 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.804 11.718 3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.023 13.306 4.214 1.00 0.00 H new ATOM 815 N ALA A 59 0.524 11.287 0.400 1.00 0.00 N ATOM 816 CA ALA A 59 0.180 10.199 -0.499 1.00 0.00 C ATOM 817 C ALA A 59 -1.072 10.577 -1.294 1.00 0.00 C ATOM 818 O ALA A 59 -1.045 10.608 -2.523 1.00 0.00 O ATOM 819 CB ALA A 59 -0.007 8.911 0.306 1.00 0.00 C ATOM 0 H ALA A 59 0.505 11.044 1.390 1.00 0.00 H new ATOM 0 HA ALA A 59 0.984 10.023 -1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.265 8.095 -0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.919 8.671 0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.808 9.049 1.032 1.00 0.00 H new ATOM 825 N ALA A 60 -2.139 10.855 -0.559 1.00 0.00 N ATOM 826 CA ALA A 60 -3.398 11.230 -1.180 1.00 0.00 C ATOM 827 C ALA A 60 -3.121 12.159 -2.364 1.00 0.00 C ATOM 828 O ALA A 60 -3.831 12.119 -3.367 1.00 0.00 O ATOM 829 CB ALA A 60 -4.311 11.873 -0.135 1.00 0.00 C ATOM 0 H ALA A 60 -2.157 10.828 0.460 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.913 10.350 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.255 12.154 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.501 11.162 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.829 12.761 0.272 1.00 0.00 H new ATOM 835 N ARG A 61 -2.088 12.973 -2.207 1.00 0.00 N ATOM 836 CA ARG A 61 -1.709 13.911 -3.250 1.00 0.00 C ATOM 837 C ARG A 61 -0.982 13.181 -4.381 1.00 0.00 C ATOM 838 O ARG A 61 -1.293 13.381 -5.555 1.00 0.00 O ATOM 839 CB ARG A 61 -0.802 15.012 -2.698 1.00 0.00 C ATOM 840 CG ARG A 61 -1.508 15.800 -1.592 1.00 0.00 C ATOM 841 CD ARG A 61 -1.015 17.248 -1.551 1.00 0.00 C ATOM 842 NE ARG A 61 -2.034 18.146 -2.140 1.00 0.00 N ATOM 843 CZ ARG A 61 -1.797 19.412 -2.509 1.00 0.00 C ATOM 844 NH1 ARG A 61 -0.574 19.938 -2.351 1.00 0.00 N ATOM 845 NH2 ARG A 61 -2.782 20.153 -3.034 1.00 0.00 N ATOM 0 H ARG A 61 -1.501 13.003 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.622 14.367 -3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.115 14.571 -2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.513 15.688 -3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.585 15.783 -1.759 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.328 15.323 -0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.810 17.542 -0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.078 17.338 -2.101 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.976 17.778 -2.273 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.176 19.374 -1.950 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.393 20.902 -2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.713 19.753 -3.153 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.601 21.117 -3.315 1.00 0.00 H new ATOM 859 N ALA A 62 -0.029 12.349 -3.989 1.00 0.00 N ATOM 860 CA ALA A 62 0.745 11.588 -4.955 1.00 0.00 C ATOM 861 C ALA A 62 -0.207 10.907 -5.941 1.00 0.00 C ATOM 862 O ALA A 62 0.071 10.848 -7.138 1.00 0.00 O ATOM 863 CB ALA A 62 1.637 10.586 -4.220 1.00 0.00 C ATOM 0 H ALA A 62 0.225 12.185 -3.015 1.00 0.00 H new ATOM 0 HA ALA A 62 1.398 12.247 -5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.217 10.015 -4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.314 11.121 -3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.016 9.906 -3.636 1.00 0.00 H new ATOM 869 N GLY A 63 -1.310 10.409 -5.401 1.00 0.00 N ATOM 870 CA GLY A 63 -2.304 9.735 -6.218 1.00 0.00 C ATOM 871 C GLY A 63 -2.441 8.265 -5.814 1.00 0.00 C ATOM 872 O GLY A 63 -2.763 7.417 -6.644 1.00 0.00 O ATOM 0 H GLY A 63 -1.537 10.459 -4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.266 10.236 -6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.023 9.802 -7.269 1.00 0.00 H new ATOM 876 N VAL A 64 -2.189 8.010 -4.539 1.00 0.00 N ATOM 877 CA VAL A 64 -2.280 6.658 -4.014 1.00 0.00 C ATOM 878 C VAL A 64 -3.745 6.323 -3.730 1.00 0.00 C ATOM 879 O VAL A 64 -4.566 7.220 -3.542 1.00 0.00 O ATOM 880 CB VAL A 64 -1.384 6.514 -2.782 1.00 0.00 C ATOM 881 CG1 VAL A 64 -1.985 7.244 -1.579 1.00 0.00 C ATOM 882 CG2 VAL A 64 -1.131 5.040 -2.458 1.00 0.00 C ATOM 0 H VAL A 64 -1.922 8.717 -3.854 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.919 5.938 -4.748 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.424 6.977 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.329 7.126 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.091 8.304 -1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.964 6.823 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.492 4.965 -1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.081 4.543 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.640 4.560 -3.305 1.00 0.00 H new ATOM 892 N ARG A 65 -4.030 5.029 -3.709 1.00 0.00 N ATOM 893 CA ARG A 65 -5.382 4.564 -3.451 1.00 0.00 C ATOM 894 C ARG A 65 -5.354 3.300 -2.590 1.00 0.00 C ATOM 895 O ARG A 65 -4.551 2.399 -2.830 1.00 0.00 O ATOM 896 CB ARG A 65 -6.121 4.267 -4.758 1.00 0.00 C ATOM 897 CG ARG A 65 -6.407 5.556 -5.531 1.00 0.00 C ATOM 898 CD ARG A 65 -7.032 5.251 -6.894 1.00 0.00 C ATOM 899 NE ARG A 65 -6.642 6.289 -7.874 1.00 0.00 N ATOM 900 CZ ARG A 65 -7.104 6.348 -9.130 1.00 0.00 C ATOM 901 NH1 ARG A 65 -7.976 5.428 -9.567 1.00 0.00 N ATOM 902 NH2 ARG A 65 -6.695 7.325 -9.950 1.00 0.00 N ATOM 0 H ARG A 65 -3.347 4.288 -3.867 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.910 5.357 -2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.523 3.595 -5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.058 3.753 -4.542 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.079 6.190 -4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.481 6.115 -5.668 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.706 4.271 -7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.118 5.213 -6.805 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.980 7.005 -7.574 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.287 4.684 -8.943 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.328 5.473 -10.523 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.031 8.025 -9.618 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.047 7.369 -10.906 1.00 0.00 H new ATOM 916 N VAL A 66 -6.241 3.273 -1.606 1.00 0.00 N ATOM 917 CA VAL A 66 -6.328 2.134 -0.708 1.00 0.00 C ATOM 918 C VAL A 66 -6.612 0.869 -1.522 1.00 0.00 C ATOM 919 O VAL A 66 -7.390 0.901 -2.474 1.00 0.00 O ATOM 920 CB VAL A 66 -7.378 2.398 0.372 1.00 0.00 C ATOM 921 CG1 VAL A 66 -7.656 1.133 1.187 1.00 0.00 C ATOM 922 CG2 VAL A 66 -6.952 3.553 1.281 1.00 0.00 C ATOM 0 H VAL A 66 -6.906 4.022 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.381 1.982 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.304 2.687 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.406 1.348 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.024 0.348 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.736 0.801 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.716 3.720 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.007 3.305 1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.828 4.458 0.686 1.00 0.00 H new ATOM 932 N GLY A 67 -5.966 -0.214 -1.117 1.00 0.00 N ATOM 933 CA GLY A 67 -6.140 -1.487 -1.796 1.00 0.00 C ATOM 934 C GLY A 67 -5.090 -1.670 -2.895 1.00 0.00 C ATOM 935 O GLY A 67 -4.990 -2.741 -3.490 1.00 0.00 O ATOM 0 H GLY A 67 -5.321 -0.237 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.063 -2.301 -1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.139 -1.538 -2.230 1.00 0.00 H new ATOM 939 N ASP A 68 -4.335 -0.607 -3.130 1.00 0.00 N ATOM 940 CA ASP A 68 -3.297 -0.636 -4.146 1.00 0.00 C ATOM 941 C ASP A 68 -2.282 -1.728 -3.801 1.00 0.00 C ATOM 942 O ASP A 68 -1.820 -1.813 -2.664 1.00 0.00 O ATOM 943 CB ASP A 68 -2.552 0.698 -4.212 1.00 0.00 C ATOM 944 CG ASP A 68 -2.975 1.619 -5.358 1.00 0.00 C ATOM 945 OD1 ASP A 68 -2.942 1.141 -6.512 1.00 0.00 O ATOM 946 OD2 ASP A 68 -3.322 2.781 -5.054 1.00 0.00 O ATOM 0 H ASP A 68 -4.422 0.280 -2.634 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.772 -0.831 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.698 1.225 -3.269 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.485 0.497 -4.303 1.00 0.00 H new ATOM 951 N LYS A 69 -1.965 -2.535 -4.803 1.00 0.00 N ATOM 952 CA LYS A 69 -1.013 -3.617 -4.619 1.00 0.00 C ATOM 953 C LYS A 69 0.387 -3.129 -4.996 1.00 0.00 C ATOM 954 O LYS A 69 0.746 -3.112 -6.173 1.00 0.00 O ATOM 955 CB LYS A 69 -1.460 -4.860 -5.391 1.00 0.00 C ATOM 956 CG LYS A 69 -0.360 -5.924 -5.402 1.00 0.00 C ATOM 957 CD LYS A 69 -0.633 -6.984 -6.471 1.00 0.00 C ATOM 958 CE LYS A 69 0.209 -8.238 -6.227 1.00 0.00 C ATOM 959 NZ LYS A 69 1.425 -8.218 -7.071 1.00 0.00 N ATOM 0 H LYS A 69 -2.350 -2.461 -5.744 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.975 -3.917 -3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.362 -5.269 -4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.715 -4.585 -6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.605 -5.453 -5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.298 -6.398 -4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.691 -7.246 -6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.409 -6.577 -7.457 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.490 -8.296 -5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.380 -9.128 -6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.985 -9.076 -6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.151 -8.185 -8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.994 -7.379 -6.840 1.00 0.00 H new ATOM 973 N LEU A 70 1.139 -2.744 -3.976 1.00 0.00 N ATOM 974 CA LEU A 70 2.492 -2.256 -4.186 1.00 0.00 C ATOM 975 C LEU A 70 3.295 -3.308 -4.954 1.00 0.00 C ATOM 976 O LEU A 70 3.359 -4.466 -4.546 1.00 0.00 O ATOM 977 CB LEU A 70 3.127 -1.850 -2.855 1.00 0.00 C ATOM 978 CG LEU A 70 3.835 -0.493 -2.836 1.00 0.00 C ATOM 979 CD1 LEU A 70 4.804 -0.365 -4.013 1.00 0.00 C ATOM 980 CD2 LEU A 70 2.823 0.653 -2.799 1.00 0.00 C ATOM 0 H LEU A 70 0.838 -2.760 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 70 2.481 -1.353 -4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.349 -1.843 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.847 -2.617 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 70 4.427 -0.429 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.294 0.608 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.555 -1.152 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.254 -0.459 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.352 1.606 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.186 0.604 -3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.209 0.567 -1.903 1.00 0.00 H new ATOM 992 N LEU A 71 3.887 -2.866 -6.054 1.00 0.00 N ATOM 993 CA LEU A 71 4.683 -3.755 -6.884 1.00 0.00 C ATOM 994 C LEU A 71 6.166 -3.429 -6.696 1.00 0.00 C ATOM 995 O LEU A 71 6.997 -4.331 -6.613 1.00 0.00 O ATOM 996 CB LEU A 71 4.218 -3.688 -8.340 1.00 0.00 C ATOM 997 CG LEU A 71 2.704 -3.636 -8.560 1.00 0.00 C ATOM 998 CD1 LEU A 71 2.372 -3.202 -9.989 1.00 0.00 C ATOM 999 CD2 LEU A 71 2.052 -4.973 -8.200 1.00 0.00 C ATOM 0 H LEU A 71 3.832 -1.904 -6.390 1.00 0.00 H new ATOM 0 HA LEU A 71 4.543 -4.791 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.663 -2.807 -8.802 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.612 -4.557 -8.867 1.00 0.00 H new ATOM 0 HG LEU A 71 2.287 -2.884 -7.891 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.290 -3.173 -10.118 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.786 -2.211 -10.174 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.803 -3.912 -10.694 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.976 -4.909 -8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.469 -5.762 -8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.245 -5.202 -7.152 1.00 0.00 H new ATOM 1011 N GLU A 72 6.451 -2.136 -6.635 1.00 0.00 N ATOM 1012 CA GLU A 72 7.820 -1.680 -6.458 1.00 0.00 C ATOM 1013 C GLU A 72 7.849 -0.405 -5.614 1.00 0.00 C ATOM 1014 O GLU A 72 6.837 0.283 -5.487 1.00 0.00 O ATOM 1015 CB GLU A 72 8.502 -1.459 -7.810 1.00 0.00 C ATOM 1016 CG GLU A 72 9.406 -2.641 -8.167 1.00 0.00 C ATOM 1017 CD GLU A 72 9.789 -2.610 -9.648 1.00 0.00 C ATOM 1018 OE1 GLU A 72 10.817 -1.967 -9.955 1.00 0.00 O ATOM 1019 OE2 GLU A 72 9.046 -3.229 -10.440 1.00 0.00 O ATOM 0 H GLU A 72 5.758 -1.391 -6.705 1.00 0.00 H new ATOM 0 HA GLU A 72 8.376 -2.454 -5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.747 -1.327 -8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.091 -0.542 -7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.307 -2.613 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.895 -3.576 -7.939 1.00 0.00 H new ATOM 1026 N VAL A 73 9.020 -0.127 -5.059 1.00 0.00 N ATOM 1027 CA VAL A 73 9.194 1.053 -4.231 1.00 0.00 C ATOM 1028 C VAL A 73 10.624 1.575 -4.388 1.00 0.00 C ATOM 1029 O VAL A 73 11.551 1.052 -3.771 1.00 0.00 O ATOM 1030 CB VAL A 73 8.831 0.733 -2.779 1.00 0.00 C ATOM 1031 CG1 VAL A 73 9.562 1.666 -1.812 1.00 0.00 C ATOM 1032 CG2 VAL A 73 7.318 0.798 -2.565 1.00 0.00 C ATOM 0 H VAL A 73 9.857 -0.699 -5.167 1.00 0.00 H new ATOM 0 HA VAL A 73 8.520 1.847 -4.553 1.00 0.00 H new ATOM 0 HB VAL A 73 9.155 -0.286 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.286 1.417 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.638 1.548 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.283 2.699 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.087 0.567 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.960 1.800 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.827 0.074 -3.215 1.00 0.00 H new ATOM 1042 N ASN A 74 10.758 2.600 -5.217 1.00 0.00 N ATOM 1043 CA ASN A 74 12.059 3.198 -5.463 1.00 0.00 C ATOM 1044 C ASN A 74 12.864 2.291 -6.397 1.00 0.00 C ATOM 1045 O ASN A 74 14.059 2.504 -6.597 1.00 0.00 O ATOM 1046 CB ASN A 74 12.848 3.355 -4.162 1.00 0.00 C ATOM 1047 CG ASN A 74 13.359 4.788 -4.001 1.00 0.00 C ATOM 1048 OD1 ASN A 74 14.412 5.159 -4.494 1.00 0.00 O ATOM 1049 ND2 ASN A 74 12.557 5.572 -3.285 1.00 0.00 N ATOM 0 H ASN A 74 9.987 3.031 -5.727 1.00 0.00 H new ATOM 0 HA ASN A 74 11.900 4.180 -5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.215 3.094 -3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.689 2.662 -4.157 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.810 6.546 -3.121 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.689 5.199 -2.900 1.00 0.00 H new ATOM 1056 N GLY A 75 12.176 1.299 -6.944 1.00 0.00 N ATOM 1057 CA GLY A 75 12.812 0.360 -7.852 1.00 0.00 C ATOM 1058 C GLY A 75 12.863 -1.043 -7.242 1.00 0.00 C ATOM 1059 O GLY A 75 12.962 -2.034 -7.964 1.00 0.00 O ATOM 0 H GLY A 75 11.185 1.125 -6.776 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.264 0.331 -8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.823 0.698 -8.081 1.00 0.00 H new ATOM 1063 N VAL A 76 12.793 -1.081 -5.920 1.00 0.00 N ATOM 1064 CA VAL A 76 12.830 -2.346 -5.205 1.00 0.00 C ATOM 1065 C VAL A 76 11.513 -3.092 -5.428 1.00 0.00 C ATOM 1066 O VAL A 76 10.439 -2.498 -5.353 1.00 0.00 O ATOM 1067 CB VAL A 76 13.135 -2.101 -3.725 1.00 0.00 C ATOM 1068 CG1 VAL A 76 11.956 -1.420 -3.028 1.00 0.00 C ATOM 1069 CG2 VAL A 76 13.509 -3.407 -3.020 1.00 0.00 C ATOM 0 H VAL A 76 12.711 -0.257 -5.325 1.00 0.00 H new ATOM 0 HA VAL A 76 13.631 -2.978 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 76 13.992 -1.430 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.199 -1.257 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.755 -0.462 -3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.073 -2.055 -3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.721 -3.206 -1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.680 -4.111 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.393 -3.836 -3.493 1.00 0.00 H new ATOM 1079 N ALA A 77 11.640 -4.383 -5.699 1.00 0.00 N ATOM 1080 CA ALA A 77 10.473 -5.216 -5.934 1.00 0.00 C ATOM 1081 C ALA A 77 9.892 -5.663 -4.591 1.00 0.00 C ATOM 1082 O ALA A 77 10.574 -6.315 -3.801 1.00 0.00 O ATOM 1083 CB ALA A 77 10.862 -6.399 -6.824 1.00 0.00 C ATOM 0 H ALA A 77 12.533 -4.872 -5.761 1.00 0.00 H new ATOM 0 HA ALA A 77 9.699 -4.654 -6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.987 -7.024 -7.001 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.242 -6.029 -7.776 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.635 -6.988 -6.330 1.00 0.00 H new ATOM 1089 N LEU A 78 8.638 -5.294 -4.373 1.00 0.00 N ATOM 1090 CA LEU A 78 7.958 -5.649 -3.140 1.00 0.00 C ATOM 1091 C LEU A 78 7.110 -6.902 -3.372 1.00 0.00 C ATOM 1092 O LEU A 78 6.609 -7.501 -2.422 1.00 0.00 O ATOM 1093 CB LEU A 78 7.160 -4.457 -2.606 1.00 0.00 C ATOM 1094 CG LEU A 78 7.983 -3.314 -2.007 1.00 0.00 C ATOM 1095 CD1 LEU A 78 7.084 -2.319 -1.271 1.00 0.00 C ATOM 1096 CD2 LEU A 78 9.098 -3.853 -1.109 1.00 0.00 C ATOM 0 H LEU A 78 8.076 -4.753 -5.030 1.00 0.00 H new ATOM 0 HA LEU A 78 8.682 -5.893 -2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.556 -4.056 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.469 -4.819 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 78 8.461 -2.773 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.693 -1.517 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.359 -1.899 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.558 -2.831 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.667 -3.020 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.662 -4.433 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.760 -4.491 -1.694 1.00 0.00 H new ATOM 1108 N GLN A 79 6.976 -7.260 -4.640 1.00 0.00 N ATOM 1109 CA GLN A 79 6.197 -8.430 -5.009 1.00 0.00 C ATOM 1110 C GLN A 79 6.421 -9.556 -3.998 1.00 0.00 C ATOM 1111 O GLN A 79 5.635 -9.724 -3.067 1.00 0.00 O ATOM 1112 CB GLN A 79 6.539 -8.891 -6.428 1.00 0.00 C ATOM 1113 CG GLN A 79 5.350 -8.693 -7.370 1.00 0.00 C ATOM 1114 CD GLN A 79 5.760 -8.924 -8.826 1.00 0.00 C ATOM 1115 OE1 GLN A 79 6.677 -8.309 -9.345 1.00 0.00 O ATOM 1116 NE2 GLN A 79 5.031 -9.842 -9.453 1.00 0.00 N ATOM 0 H GLN A 79 7.394 -6.761 -5.425 1.00 0.00 H new ATOM 0 HA GLN A 79 5.141 -8.159 -4.995 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.398 -8.332 -6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.825 -9.943 -6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.549 -9.381 -7.100 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.955 -7.684 -7.255 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.277 -10.320 -8.959 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.225 -10.069 -10.428 1.00 0.00 H new ATOM 1125 N GLY A 80 7.496 -10.299 -4.216 1.00 0.00 N ATOM 1126 CA GLY A 80 7.833 -11.405 -3.335 1.00 0.00 C ATOM 1127 C GLY A 80 8.742 -10.941 -2.195 1.00 0.00 C ATOM 1128 O GLY A 80 9.808 -11.514 -1.974 1.00 0.00 O ATOM 0 H GLY A 80 8.145 -10.157 -4.990 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.921 -11.838 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.330 -12.190 -3.905 1.00 0.00 H new ATOM 1132 N ALA A 81 8.287 -9.907 -1.502 1.00 0.00 N ATOM 1133 CA ALA A 81 9.047 -9.360 -0.390 1.00 0.00 C ATOM 1134 C ALA A 81 8.200 -9.426 0.882 1.00 0.00 C ATOM 1135 O ALA A 81 6.986 -9.236 0.835 1.00 0.00 O ATOM 1136 CB ALA A 81 9.485 -7.933 -0.725 1.00 0.00 C ATOM 0 H ALA A 81 7.403 -9.434 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 81 9.949 -9.946 -0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.055 -7.522 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.107 -7.944 -1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.605 -7.315 -0.903 1.00 0.00 H new ATOM 1142 N GLU A 82 8.874 -9.697 1.990 1.00 0.00 N ATOM 1143 CA GLU A 82 8.199 -9.792 3.273 1.00 0.00 C ATOM 1144 C GLU A 82 7.790 -8.400 3.761 1.00 0.00 C ATOM 1145 O GLU A 82 8.099 -7.398 3.119 1.00 0.00 O ATOM 1146 CB GLU A 82 9.080 -10.498 4.306 1.00 0.00 C ATOM 1147 CG GLU A 82 9.232 -11.983 3.972 1.00 0.00 C ATOM 1148 CD GLU A 82 10.439 -12.586 4.694 1.00 0.00 C ATOM 1149 OE1 GLU A 82 11.504 -11.933 4.662 1.00 0.00 O ATOM 1150 OE2 GLU A 82 10.269 -13.687 5.261 1.00 0.00 O ATOM 0 H GLU A 82 9.881 -9.854 2.026 1.00 0.00 H new ATOM 0 HA GLU A 82 7.297 -10.391 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.062 -10.026 4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.643 -10.387 5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.327 -12.519 4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.348 -12.107 2.895 1.00 0.00 H new ATOM 1157 N HIS A 83 7.101 -8.384 4.893 1.00 0.00 N ATOM 1158 CA HIS A 83 6.647 -7.132 5.474 1.00 0.00 C ATOM 1159 C HIS A 83 7.848 -6.221 5.734 1.00 0.00 C ATOM 1160 O HIS A 83 7.861 -5.068 5.307 1.00 0.00 O ATOM 1161 CB HIS A 83 5.814 -7.388 6.732 1.00 0.00 C ATOM 1162 CG HIS A 83 4.801 -6.308 7.028 1.00 0.00 C ATOM 1163 ND1 HIS A 83 3.602 -6.197 6.346 1.00 0.00 N ATOM 1164 CD2 HIS A 83 4.821 -5.293 7.939 1.00 0.00 C ATOM 1165 CE1 HIS A 83 2.939 -5.158 6.832 1.00 0.00 C ATOM 1166 NE2 HIS A 83 3.696 -4.599 7.819 1.00 0.00 N ATOM 0 H HIS A 83 6.846 -9.218 5.423 1.00 0.00 H new ATOM 0 HA HIS A 83 5.991 -6.618 4.772 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.294 -8.340 6.624 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.485 -7.487 7.586 1.00 0.00 H new ATOM 0 HD1 HIS A 83 3.283 -6.811 5.596 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.617 -5.089 8.639 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.969 -4.814 6.504 1.00 0.00 H new ATOM 1174 N HIS A 84 8.829 -6.773 6.433 1.00 0.00 N ATOM 1175 CA HIS A 84 10.032 -6.025 6.755 1.00 0.00 C ATOM 1176 C HIS A 84 10.633 -5.443 5.474 1.00 0.00 C ATOM 1177 O HIS A 84 10.978 -4.264 5.426 1.00 0.00 O ATOM 1178 CB HIS A 84 11.022 -6.895 7.532 1.00 0.00 C ATOM 1179 CG HIS A 84 11.751 -7.906 6.680 1.00 0.00 C ATOM 1180 ND1 HIS A 84 13.058 -7.730 6.261 1.00 0.00 N ATOM 1181 CD2 HIS A 84 11.342 -9.105 6.174 1.00 0.00 C ATOM 1182 CE1 HIS A 84 13.410 -8.782 5.535 1.00 0.00 C ATOM 1183 NE2 HIS A 84 12.345 -9.632 5.482 1.00 0.00 N ATOM 0 H HIS A 84 8.815 -7.730 6.785 1.00 0.00 H new ATOM 0 HA HIS A 84 9.781 -5.190 7.409 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.754 -6.249 8.018 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.486 -7.420 8.322 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.368 -9.550 6.313 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.371 -8.938 5.068 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.323 -10.526 4.991 1.00 0.00 H new ATOM 1191 N GLU A 85 10.739 -6.298 4.467 1.00 0.00 N ATOM 1192 CA GLU A 85 11.292 -5.884 3.189 1.00 0.00 C ATOM 1193 C GLU A 85 10.585 -4.622 2.689 1.00 0.00 C ATOM 1194 O GLU A 85 11.224 -3.723 2.145 1.00 0.00 O ATOM 1195 CB GLU A 85 11.196 -7.011 2.159 1.00 0.00 C ATOM 1196 CG GLU A 85 11.987 -8.239 2.614 1.00 0.00 C ATOM 1197 CD GLU A 85 12.683 -8.913 1.430 1.00 0.00 C ATOM 1198 OE1 GLU A 85 13.755 -8.405 1.037 1.00 0.00 O ATOM 1199 OE2 GLU A 85 12.126 -9.922 0.945 1.00 0.00 O ATOM 0 H GLU A 85 10.451 -7.276 4.511 1.00 0.00 H new ATOM 0 HA GLU A 85 12.348 -5.654 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.151 -7.282 2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.577 -6.664 1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.729 -7.944 3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.316 -8.949 3.098 1.00 0.00 H new ATOM 1206 N ALA A 86 9.276 -4.596 2.890 1.00 0.00 N ATOM 1207 CA ALA A 86 8.475 -3.460 2.466 1.00 0.00 C ATOM 1208 C ALA A 86 8.817 -2.248 3.336 1.00 0.00 C ATOM 1209 O ALA A 86 9.206 -1.201 2.821 1.00 0.00 O ATOM 1210 CB ALA A 86 6.992 -3.827 2.535 1.00 0.00 C ATOM 0 H ALA A 86 8.749 -5.344 3.341 1.00 0.00 H new ATOM 0 HA ALA A 86 8.698 -3.197 1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.391 -2.975 2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.796 -4.675 1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.730 -4.093 3.559 1.00 0.00 H new ATOM 1216 N VAL A 87 8.660 -2.432 4.638 1.00 0.00 N ATOM 1217 CA VAL A 87 8.948 -1.366 5.584 1.00 0.00 C ATOM 1218 C VAL A 87 10.336 -0.792 5.292 1.00 0.00 C ATOM 1219 O VAL A 87 10.480 0.408 5.067 1.00 0.00 O ATOM 1220 CB VAL A 87 8.804 -1.885 7.016 1.00 0.00 C ATOM 1221 CG1 VAL A 87 9.330 -0.862 8.025 1.00 0.00 C ATOM 1222 CG2 VAL A 87 7.352 -2.259 7.320 1.00 0.00 C ATOM 0 H VAL A 87 8.337 -3.302 5.061 1.00 0.00 H new ATOM 0 HA VAL A 87 8.231 -0.553 5.474 1.00 0.00 H new ATOM 0 HB VAL A 87 9.408 -2.787 7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.216 -1.255 9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.384 -0.666 7.829 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.765 0.065 7.931 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.277 -2.625 8.344 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.718 -1.381 7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.025 -3.038 6.632 1.00 0.00 H new ATOM 1232 N GLU A 88 11.322 -1.677 5.306 1.00 0.00 N ATOM 1233 CA GLU A 88 12.693 -1.273 5.047 1.00 0.00 C ATOM 1234 C GLU A 88 12.764 -0.418 3.780 1.00 0.00 C ATOM 1235 O GLU A 88 13.306 0.686 3.802 1.00 0.00 O ATOM 1236 CB GLU A 88 13.612 -2.492 4.937 1.00 0.00 C ATOM 1237 CG GLU A 88 14.738 -2.424 5.971 1.00 0.00 C ATOM 1238 CD GLU A 88 15.672 -1.246 5.688 1.00 0.00 C ATOM 1239 OE1 GLU A 88 15.176 -0.101 5.753 1.00 0.00 O ATOM 1240 OE2 GLU A 88 16.861 -1.518 5.414 1.00 0.00 O ATOM 0 H GLU A 88 11.198 -2.672 5.493 1.00 0.00 H new ATOM 0 HA GLU A 88 13.039 -0.672 5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.033 -3.403 5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.037 -2.543 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.314 -2.324 6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.306 -3.354 5.957 1.00 0.00 H new ATOM 1247 N ALA A 89 12.207 -0.960 2.707 1.00 0.00 N ATOM 1248 CA ALA A 89 12.200 -0.260 1.433 1.00 0.00 C ATOM 1249 C ALA A 89 11.631 1.146 1.632 1.00 0.00 C ATOM 1250 O ALA A 89 12.303 2.137 1.350 1.00 0.00 O ATOM 1251 CB ALA A 89 11.404 -1.071 0.409 1.00 0.00 C ATOM 0 H ALA A 89 11.757 -1.875 2.693 1.00 0.00 H new ATOM 0 HA ALA A 89 13.214 -0.154 1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.399 -0.546 -0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.866 -2.050 0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.380 -1.195 0.760 1.00 0.00 H new ATOM 1257 N LEU A 90 10.399 1.188 2.116 1.00 0.00 N ATOM 1258 CA LEU A 90 9.732 2.457 2.356 1.00 0.00 C ATOM 1259 C LEU A 90 10.672 3.385 3.128 1.00 0.00 C ATOM 1260 O LEU A 90 10.847 4.545 2.758 1.00 0.00 O ATOM 1261 CB LEU A 90 8.386 2.232 3.048 1.00 0.00 C ATOM 1262 CG LEU A 90 7.310 1.537 2.211 1.00 0.00 C ATOM 1263 CD1 LEU A 90 6.222 0.938 3.105 1.00 0.00 C ATOM 1264 CD2 LEU A 90 6.730 2.489 1.163 1.00 0.00 C ATOM 0 H LEU A 90 9.845 0.364 2.349 1.00 0.00 H new ATOM 0 HA LEU A 90 9.501 2.950 1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.557 1.641 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.999 3.199 3.370 1.00 0.00 H new ATOM 0 HG LEU A 90 7.776 0.711 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.470 0.450 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.667 0.206 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.753 1.731 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.968 1.970 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.283 3.350 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.525 2.827 0.498 1.00 0.00 H new ATOM 1276 N ARG A 91 11.253 2.839 4.187 1.00 0.00 N ATOM 1277 CA ARG A 91 12.171 3.603 5.014 1.00 0.00 C ATOM 1278 C ARG A 91 13.298 4.184 4.158 1.00 0.00 C ATOM 1279 O ARG A 91 13.609 5.370 4.257 1.00 0.00 O ATOM 1280 CB ARG A 91 12.774 2.731 6.117 1.00 0.00 C ATOM 1281 CG ARG A 91 11.708 2.317 7.133 1.00 0.00 C ATOM 1282 CD ARG A 91 12.272 2.329 8.555 1.00 0.00 C ATOM 1283 NE ARG A 91 12.379 3.722 9.045 1.00 0.00 N ATOM 1284 CZ ARG A 91 12.895 4.063 10.234 1.00 0.00 C ATOM 1285 NH1 ARG A 91 13.354 3.114 11.062 1.00 0.00 N ATOM 1286 NH2 ARG A 91 12.951 5.352 10.595 1.00 0.00 N ATOM 0 H ARG A 91 11.105 1.877 4.491 1.00 0.00 H new ATOM 0 HA ARG A 91 11.607 4.413 5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.226 1.842 5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 91 13.571 3.277 6.622 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.857 2.995 7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.339 1.320 6.893 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.626 1.751 9.216 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.252 1.853 8.570 1.00 0.00 H new ATOM 0 HE ARG A 91 12.039 4.469 8.440 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.311 2.133 10.787 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.747 3.373 11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.601 6.074 9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.344 5.612 11.500 1.00 0.00 H new ATOM 1300 N GLY A 92 13.880 3.321 3.338 1.00 0.00 N ATOM 1301 CA GLY A 92 14.966 3.734 2.465 1.00 0.00 C ATOM 1302 C GLY A 92 14.428 4.369 1.182 1.00 0.00 C ATOM 1303 O GLY A 92 14.169 3.673 0.202 1.00 0.00 O ATOM 0 H GLY A 92 13.620 2.338 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.606 4.446 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.585 2.872 2.216 1.00 0.00 H new ATOM 1307 N ALA A 93 14.274 5.684 1.230 1.00 0.00 N ATOM 1308 CA ALA A 93 13.771 6.421 0.083 1.00 0.00 C ATOM 1309 C ALA A 93 13.947 7.921 0.329 1.00 0.00 C ATOM 1310 O ALA A 93 13.584 8.426 1.390 1.00 0.00 O ATOM 1311 CB ALA A 93 12.312 6.039 -0.169 1.00 0.00 C ATOM 0 H ALA A 93 14.489 6.258 2.045 1.00 0.00 H new ATOM 0 HA ALA A 93 14.334 6.166 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.935 6.592 -1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.245 4.969 -0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.715 6.283 0.710 1.00 0.00 H new ATOM 1317 N GLY A 94 14.504 8.591 -0.669 1.00 0.00 N ATOM 1318 CA GLY A 94 14.732 10.023 -0.574 1.00 0.00 C ATOM 1319 C GLY A 94 13.418 10.797 -0.703 1.00 0.00 C ATOM 1320 O GLY A 94 12.339 10.211 -0.635 1.00 0.00 O ATOM 0 H GLY A 94 14.804 8.169 -1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.204 10.257 0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.422 10.338 -1.357 1.00 0.00 H new ATOM 1324 N THR A 95 13.553 12.102 -0.886 1.00 0.00 N ATOM 1325 CA THR A 95 12.391 12.963 -1.025 1.00 0.00 C ATOM 1326 C THR A 95 11.331 12.290 -1.899 1.00 0.00 C ATOM 1327 O THR A 95 10.352 11.748 -1.387 1.00 0.00 O ATOM 1328 CB THR A 95 12.863 14.311 -1.573 1.00 0.00 C ATOM 1329 OG1 THR A 95 13.607 14.880 -0.499 1.00 0.00 O ATOM 1330 CG2 THR A 95 11.709 15.292 -1.788 1.00 0.00 C ATOM 0 H THR A 95 14.450 12.584 -0.941 1.00 0.00 H new ATOM 0 HA THR A 95 11.911 13.138 -0.062 1.00 0.00 H new ATOM 0 HB THR A 95 13.388 14.156 -2.516 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.952 15.757 -0.769 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.099 16.232 -2.178 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.000 14.870 -2.501 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.204 15.474 -0.839 1.00 0.00 H new ATOM 1338 N ALA A 96 11.562 12.346 -3.202 1.00 0.00 N ATOM 1339 CA ALA A 96 10.638 11.749 -4.152 1.00 0.00 C ATOM 1340 C ALA A 96 10.684 10.226 -4.012 1.00 0.00 C ATOM 1341 O ALA A 96 11.649 9.589 -4.430 1.00 0.00 O ATOM 1342 CB ALA A 96 10.989 12.214 -5.567 1.00 0.00 C ATOM 0 H ALA A 96 12.375 12.795 -3.623 1.00 0.00 H new ATOM 0 HA ALA A 96 9.617 12.069 -3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.296 11.766 -6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.915 13.300 -5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.007 11.907 -5.809 1.00 0.00 H new ATOM 1348 N VAL A 97 9.627 9.686 -3.422 1.00 0.00 N ATOM 1349 CA VAL A 97 9.534 8.250 -3.221 1.00 0.00 C ATOM 1350 C VAL A 97 8.622 7.648 -4.292 1.00 0.00 C ATOM 1351 O VAL A 97 7.409 7.846 -4.262 1.00 0.00 O ATOM 1352 CB VAL A 97 9.062 7.950 -1.797 1.00 0.00 C ATOM 1353 CG1 VAL A 97 8.710 6.470 -1.636 1.00 0.00 C ATOM 1354 CG2 VAL A 97 10.112 8.379 -0.770 1.00 0.00 C ATOM 0 H VAL A 97 8.828 10.218 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 97 10.514 7.785 -3.329 1.00 0.00 H new ATOM 0 HB VAL A 97 8.158 8.531 -1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.378 6.284 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.912 6.208 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.589 5.862 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.752 8.155 0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.041 7.838 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.292 9.450 -0.860 1.00 0.00 H new ATOM 1364 N GLN A 98 9.242 6.925 -5.213 1.00 0.00 N ATOM 1365 CA GLN A 98 8.502 6.292 -6.292 1.00 0.00 C ATOM 1366 C GLN A 98 7.940 4.946 -5.831 1.00 0.00 C ATOM 1367 O GLN A 98 8.685 4.084 -5.368 1.00 0.00 O ATOM 1368 CB GLN A 98 9.379 6.124 -7.534 1.00 0.00 C ATOM 1369 CG GLN A 98 8.542 6.209 -8.812 1.00 0.00 C ATOM 1370 CD GLN A 98 9.426 6.087 -10.055 1.00 0.00 C ATOM 1371 OE1 GLN A 98 10.140 7.001 -10.432 1.00 0.00 O ATOM 1372 NE2 GLN A 98 9.337 4.911 -10.669 1.00 0.00 N ATOM 0 H GLN A 98 10.249 6.763 -5.234 1.00 0.00 H new ATOM 0 HA GLN A 98 7.667 6.939 -6.563 1.00 0.00 H new ATOM 0 HB2 GLN A 98 10.149 6.896 -7.547 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.892 5.163 -7.494 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.794 5.417 -8.814 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.003 7.156 -8.836 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.719 4.188 -10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.887 4.731 -11.509 1.00 0.00 H new ATOM 1381 N MET A 99 6.630 4.808 -5.974 1.00 0.00 N ATOM 1382 CA MET A 99 5.959 3.581 -5.579 1.00 0.00 C ATOM 1383 C MET A 99 5.046 3.071 -6.695 1.00 0.00 C ATOM 1384 O MET A 99 4.066 3.726 -7.048 1.00 0.00 O ATOM 1385 CB MET A 99 5.131 3.835 -4.317 1.00 0.00 C ATOM 1386 CG MET A 99 6.036 4.075 -3.107 1.00 0.00 C ATOM 1387 SD MET A 99 5.295 3.373 -1.643 1.00 0.00 S ATOM 1388 CE MET A 99 4.577 4.840 -0.924 1.00 0.00 C ATOM 0 H MET A 99 6.015 5.526 -6.358 1.00 0.00 H new ATOM 0 HA MET A 99 6.717 2.823 -5.381 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.485 4.699 -4.470 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.481 2.981 -4.126 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.015 3.627 -3.280 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.195 5.144 -2.967 1.00 0.00 H new ATOM 0 HE1 MET A 99 4.472 4.704 0.152 1.00 0.00 H new ATOM 0 HE2 MET A 99 5.224 5.695 -1.120 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.596 5.019 -1.365 1.00 0.00 H new ATOM 1398 N ARG A 100 5.399 1.907 -7.220 1.00 0.00 N ATOM 1399 CA ARG A 100 4.623 1.302 -8.289 1.00 0.00 C ATOM 1400 C ARG A 100 3.518 0.418 -7.708 1.00 0.00 C ATOM 1401 O ARG A 100 3.791 -0.668 -7.199 1.00 0.00 O ATOM 1402 CB ARG A 100 5.512 0.459 -9.206 1.00 0.00 C ATOM 1403 CG ARG A 100 4.784 0.109 -10.505 1.00 0.00 C ATOM 1404 CD ARG A 100 5.707 -0.643 -11.466 1.00 0.00 C ATOM 1405 NE ARG A 100 6.169 0.265 -12.539 1.00 0.00 N ATOM 1406 CZ ARG A 100 7.054 -0.078 -13.485 1.00 0.00 C ATOM 1407 NH1 ARG A 100 7.578 -1.311 -13.496 1.00 0.00 N ATOM 1408 NH2 ARG A 100 7.414 0.812 -14.420 1.00 0.00 N ATOM 0 H ARG A 100 6.212 1.367 -6.925 1.00 0.00 H new ATOM 0 HA ARG A 100 4.179 2.108 -8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.427 1.005 -9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.807 -0.456 -8.692 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.909 -0.502 -10.282 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.423 1.021 -10.981 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.563 -1.043 -10.923 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.180 -1.493 -11.899 1.00 0.00 H new ATOM 0 HE ARG A 100 5.790 1.212 -12.560 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.303 -1.988 -12.784 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.252 -1.572 -14.216 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.014 1.750 -14.412 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.088 0.551 -15.140 1.00 0.00 H new ATOM 1422 N VAL A 101 2.294 0.916 -7.804 1.00 0.00 N ATOM 1423 CA VAL A 101 1.147 0.185 -7.294 1.00 0.00 C ATOM 1424 C VAL A 101 0.409 -0.476 -8.460 1.00 0.00 C ATOM 1425 O VAL A 101 0.701 -0.197 -9.622 1.00 0.00 O ATOM 1426 CB VAL A 101 0.254 1.118 -6.474 1.00 0.00 C ATOM 1427 CG1 VAL A 101 1.012 1.686 -5.272 1.00 0.00 C ATOM 1428 CG2 VAL A 101 -0.313 2.240 -7.345 1.00 0.00 C ATOM 0 H VAL A 101 2.072 1.817 -8.227 1.00 0.00 H new ATOM 0 HA VAL A 101 1.469 -0.609 -6.621 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.584 0.533 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.355 2.346 -4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.344 0.869 -4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.878 2.249 -5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.944 2.889 -6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.506 2.822 -7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.906 1.810 -8.152 1.00 0.00 H new ATOM 1438 N TRP A 102 -0.532 -1.340 -8.110 1.00 0.00 N ATOM 1439 CA TRP A 102 -1.314 -2.043 -9.113 1.00 0.00 C ATOM 1440 C TRP A 102 -2.795 -1.821 -8.800 1.00 0.00 C ATOM 1441 O TRP A 102 -3.251 -2.121 -7.698 1.00 0.00 O ATOM 1442 CB TRP A 102 -0.930 -3.523 -9.169 1.00 0.00 C ATOM 1443 CG TRP A 102 -1.396 -4.239 -10.438 1.00 0.00 C ATOM 1444 CD1 TRP A 102 -1.123 -3.924 -11.712 1.00 0.00 C ATOM 1445 CD2 TRP A 102 -2.234 -5.412 -10.505 1.00 0.00 C ATOM 1446 NE1 TRP A 102 -1.721 -4.804 -12.591 1.00 0.00 N ATOM 1447 CE2 TRP A 102 -2.418 -5.738 -11.833 1.00 0.00 C ATOM 1448 CE3 TRP A 102 -2.818 -6.173 -9.477 1.00 0.00 C ATOM 1449 CZ2 TRP A 102 -3.186 -6.830 -12.256 1.00 0.00 C ATOM 1450 CZ3 TRP A 102 -3.581 -7.261 -9.916 1.00 0.00 C ATOM 1451 CH2 TRP A 102 -3.776 -7.602 -11.249 1.00 0.00 C ATOM 0 H TRP A 102 -0.771 -1.569 -7.145 1.00 0.00 H new ATOM 0 HA TRP A 102 -1.106 -1.650 -10.108 1.00 0.00 H new ATOM 0 HB2 TRP A 102 0.154 -3.610 -9.092 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.352 -4.031 -8.302 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.511 -3.086 -12.013 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -1.662 -4.775 -13.609 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.688 -5.937 -8.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.316 -7.064 -13.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -4.051 -7.879 -9.166 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.380 -8.459 -11.507 1.00 0.00 H new ATOM 1462 N ARG A 103 -3.504 -1.298 -9.789 1.00 0.00 N ATOM 1463 CA ARG A 103 -4.924 -1.033 -9.633 1.00 0.00 C ATOM 1464 C ARG A 103 -5.612 -1.000 -10.999 1.00 0.00 C ATOM 1465 O ARG A 103 -4.962 -0.775 -12.019 1.00 0.00 O ATOM 1466 CB ARG A 103 -5.160 0.300 -8.919 1.00 0.00 C ATOM 1467 CG ARG A 103 -6.633 0.706 -8.990 1.00 0.00 C ATOM 1468 CD ARG A 103 -6.907 1.930 -8.113 1.00 0.00 C ATOM 1469 NE ARG A 103 -7.115 1.511 -6.709 1.00 0.00 N ATOM 1470 CZ ARG A 103 -8.261 1.000 -6.240 1.00 0.00 C ATOM 1471 NH1 ARG A 103 -9.309 0.841 -7.059 1.00 0.00 N ATOM 1472 NH2 ARG A 103 -8.359 0.647 -4.951 1.00 0.00 N ATOM 0 H ARG A 103 -3.122 -1.051 -10.702 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.346 -1.836 -9.029 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.851 0.218 -7.877 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.543 1.075 -9.374 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.904 0.926 -10.023 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -7.259 -0.125 -8.666 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.070 2.625 -8.173 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.788 2.459 -8.477 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.337 1.618 -6.058 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -9.235 1.109 -8.040 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -10.181 0.452 -6.701 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -7.561 0.767 -4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.232 0.258 -4.594 1.00 0.00 H new ATOM 1486 N GLU A 104 -6.917 -1.228 -10.975 1.00 0.00 N ATOM 1487 CA GLU A 104 -7.699 -1.227 -12.199 1.00 0.00 C ATOM 1488 C GLU A 104 -8.255 0.172 -12.473 1.00 0.00 C ATOM 1489 O GLU A 104 -8.954 0.741 -11.636 1.00 0.00 O ATOM 1490 CB GLU A 104 -8.825 -2.261 -12.131 1.00 0.00 C ATOM 1491 CG GLU A 104 -9.648 -2.262 -13.421 1.00 0.00 C ATOM 1492 CD GLU A 104 -11.005 -1.588 -13.206 1.00 0.00 C ATOM 1493 OE1 GLU A 104 -10.993 -0.416 -12.772 1.00 0.00 O ATOM 1494 OE2 GLU A 104 -12.022 -2.260 -13.481 1.00 0.00 O ATOM 0 H GLU A 104 -7.452 -1.415 -10.127 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.045 -1.505 -13.025 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.404 -3.252 -11.964 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.473 -2.043 -11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.100 -1.742 -14.207 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.797 -3.287 -13.761 1.00 0.00 H new