USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 410 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 18 HIS : no HD1:sc= 0.502 K(o=0.7,f=-1.5) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -140:sc= -0.48 (180deg=-2.38!) USER MOD Set 1.3: A 33 TYR OH : rot 0:sc= 0.678 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -137:sc= -3.76! (180deg=-7.57!) USER MOD Single : A 39 GLN : amide:sc=-0.00357 K(o=-0.0036,f=-1.4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.264 K(o=-0.26,f=-0.98) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 86:sc= 1.18 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= -0.0676 (180deg=-0.412) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0205 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 181 N ARG A 15 3.056 3.671 -0.005 1.00 0.00 N ATOM 182 CA ARG A 15 3.352 2.259 0.201 1.00 0.00 C ATOM 183 C ARG A 15 3.919 2.020 1.598 1.00 0.00 C ATOM 184 O ARG A 15 4.762 2.780 2.076 1.00 0.00 O ATOM 185 CB ARG A 15 4.342 1.763 -0.854 1.00 0.00 C ATOM 186 CG ARG A 15 3.675 1.197 -2.097 1.00 0.00 C ATOM 187 CD ARG A 15 4.528 1.417 -3.336 1.00 0.00 C ATOM 188 NE ARG A 15 5.852 0.814 -3.204 1.00 0.00 N ATOM 189 CZ ARG A 15 6.758 0.811 -4.175 1.00 0.00 C ATOM 190 NH1 ARG A 15 6.486 1.376 -5.343 1.00 0.00 N ATOM 191 NH2 ARG A 15 7.941 0.242 -3.979 1.00 0.00 N ATOM 0 HA ARG A 15 2.420 1.702 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.993 2.587 -1.145 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.977 0.996 -0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.496 0.130 -1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.702 1.668 -2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.022 0.994 -4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.633 2.486 -3.518 1.00 0.00 H new ATOM 0 HE ARG A 15 6.094 0.371 -2.318 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.578 1.815 -5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.184 1.372 -6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.155 -0.194 -3.082 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.636 0.240 -4.726 1.00 0.00 H new ATOM 205 N LEU A 16 3.450 0.960 2.248 1.00 0.00 N ATOM 206 CA LEU A 16 3.909 0.621 3.590 1.00 0.00 C ATOM 207 C LEU A 16 4.704 -0.680 3.581 1.00 0.00 C ATOM 208 O LEU A 16 4.263 -1.684 3.022 1.00 0.00 O ATOM 209 CB LEU A 16 2.718 0.498 4.542 1.00 0.00 C ATOM 210 CG LEU A 16 2.975 -0.262 5.844 1.00 0.00 C ATOM 211 CD1 LEU A 16 4.127 0.368 6.612 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.717 -0.296 6.699 1.00 0.00 C ATOM 0 H LEU A 16 2.752 0.321 1.867 1.00 0.00 H new ATOM 0 HA LEU A 16 4.562 1.422 3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.373 1.501 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.904 0.005 4.011 1.00 0.00 H new ATOM 0 HG LEU A 16 3.249 -1.287 5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.295 -0.186 7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.030 0.339 6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.883 1.403 6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.919 -0.841 7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.412 0.723 6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.918 -0.794 6.151 1.00 0.00 H new ATOM 224 N GLU A 17 5.877 -0.656 4.206 1.00 0.00 N ATOM 225 CA GLU A 17 6.733 -1.835 4.270 1.00 0.00 C ATOM 226 C GLU A 17 6.174 -2.860 5.253 1.00 0.00 C ATOM 227 O GLU A 17 6.273 -2.689 6.469 1.00 0.00 O ATOM 228 CB GLU A 17 8.153 -1.441 4.681 1.00 0.00 C ATOM 229 CG GLU A 17 9.224 -2.375 4.143 1.00 0.00 C ATOM 230 CD GLU A 17 10.615 -2.005 4.620 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.774 -1.727 5.827 1.00 0.00 O ATOM 232 OE2 GLU A 17 11.544 -1.992 3.785 1.00 0.00 O ATOM 0 H GLU A 17 6.256 0.167 4.675 1.00 0.00 H new ATOM 0 HA GLU A 17 6.762 -2.285 3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.356 -0.429 4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.215 -1.420 5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.998 -3.396 4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.201 -2.358 3.053 1.00 0.00 H new ATOM 239 N HIS A 18 5.584 -3.924 4.718 1.00 0.00 N ATOM 240 CA HIS A 18 5.009 -4.977 5.547 1.00 0.00 C ATOM 241 C HIS A 18 5.952 -6.173 5.639 1.00 0.00 C ATOM 242 O HIS A 18 6.313 -6.769 4.624 1.00 0.00 O ATOM 243 CB HIS A 18 3.659 -5.420 4.982 1.00 0.00 C ATOM 244 CG HIS A 18 3.000 -6.500 5.782 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.129 -6.244 6.820 1.00 0.00 N ATOM 246 CD2 HIS A 18 3.087 -7.848 5.691 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.710 -7.387 7.334 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.277 -8.376 6.666 1.00 0.00 N ATOM 0 H HIS A 18 5.492 -4.080 3.714 1.00 0.00 H new ATOM 0 HA HIS A 18 4.861 -4.576 6.550 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.994 -4.558 4.934 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.800 -5.771 3.960 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.683 -8.405 4.983 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.022 -7.494 8.159 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.136 -9.370 6.845 1.00 0.00 H new ATOM 257 N GLN A 19 6.346 -6.517 6.860 1.00 0.00 N ATOM 258 CA GLN A 19 7.249 -7.641 7.083 1.00 0.00 C ATOM 259 C GLN A 19 6.554 -8.964 6.781 1.00 0.00 C ATOM 260 O GLN A 19 6.014 -9.613 7.679 1.00 0.00 O ATOM 261 CB GLN A 19 7.758 -7.635 8.525 1.00 0.00 C ATOM 262 CG GLN A 19 9.066 -6.883 8.706 1.00 0.00 C ATOM 263 CD GLN A 19 9.874 -7.391 9.884 1.00 0.00 C ATOM 264 OE1 GLN A 19 9.576 -7.077 11.037 1.00 0.00 O ATOM 265 NE2 GLN A 19 10.903 -8.180 9.600 1.00 0.00 N ATOM 0 H GLN A 19 6.055 -6.034 7.710 1.00 0.00 H new ATOM 0 HA GLN A 19 8.097 -7.534 6.406 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.000 -7.187 9.167 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.891 -8.664 8.859 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.661 -6.973 7.797 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.855 -5.823 8.846 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.114 -8.414 8.630 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.483 -8.552 10.352 1.00 0.00 H new ATOM 274 N LEU A 20 6.570 -9.360 5.513 1.00 0.00 N ATOM 275 CA LEU A 20 5.941 -10.607 5.093 1.00 0.00 C ATOM 276 C LEU A 20 6.449 -11.781 5.924 1.00 0.00 C ATOM 277 O LEU A 20 7.656 -11.977 6.066 1.00 0.00 O ATOM 278 CB LEU A 20 6.213 -10.863 3.609 1.00 0.00 C ATOM 279 CG LEU A 20 5.127 -11.626 2.850 1.00 0.00 C ATOM 280 CD1 LEU A 20 4.098 -10.662 2.279 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.742 -12.469 1.742 1.00 0.00 C ATOM 0 H LEU A 20 7.012 -8.835 4.758 1.00 0.00 H new ATOM 0 HA LEU A 20 4.866 -10.514 5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.365 -9.902 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.147 -11.418 3.522 1.00 0.00 H new ATOM 0 HG LEU A 20 4.622 -12.293 3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.333 -11.223 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.635 -10.102 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.588 -9.970 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.954 -13.005 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.273 -11.821 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.440 -13.185 2.175 1.00 0.00 H new ATOM 293 N GLU A 21 5.520 -12.559 6.470 1.00 0.00 N ATOM 294 CA GLU A 21 5.874 -13.714 7.287 1.00 0.00 C ATOM 295 C GLU A 21 5.422 -15.010 6.621 1.00 0.00 C ATOM 296 O GLU A 21 4.554 -15.019 5.748 1.00 0.00 O ATOM 297 CB GLU A 21 5.246 -13.595 8.677 1.00 0.00 C ATOM 298 CG GLU A 21 6.119 -12.857 9.678 1.00 0.00 C ATOM 299 CD GLU A 21 5.862 -13.292 11.108 1.00 0.00 C ATOM 300 OE1 GLU A 21 6.219 -14.437 11.455 1.00 0.00 O ATOM 301 OE2 GLU A 21 5.303 -12.485 11.881 1.00 0.00 O ATOM 0 H GLU A 21 4.517 -12.411 6.362 1.00 0.00 H new ATOM 0 HA GLU A 21 6.959 -13.737 7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.290 -13.079 8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.036 -14.594 9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.168 -13.026 9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.940 -11.785 9.590 1.00 0.00 H new ATOM 308 N PRO A 22 6.024 -16.132 7.042 1.00 0.00 N ATOM 309 CA PRO A 22 5.700 -17.455 6.500 1.00 0.00 C ATOM 310 C PRO A 22 4.312 -17.928 6.916 1.00 0.00 C ATOM 311 O PRO A 22 4.110 -18.378 8.044 1.00 0.00 O ATOM 312 CB PRO A 22 6.777 -18.360 7.106 1.00 0.00 C ATOM 313 CG PRO A 22 7.192 -17.668 8.358 1.00 0.00 C ATOM 314 CD PRO A 22 7.067 -16.196 8.079 1.00 0.00 C ATOM 0 HA PRO A 22 5.686 -17.456 5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.386 -19.356 7.315 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.619 -18.485 6.425 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.558 -17.962 9.195 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.216 -17.929 8.627 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.780 -15.641 8.972 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.008 -15.772 7.729 1.00 0.00 H new ATOM 322 N GLY A 23 3.356 -17.822 5.998 1.00 0.00 N ATOM 323 CA GLY A 23 1.998 -18.244 6.290 1.00 0.00 C ATOM 324 C GLY A 23 0.967 -17.221 5.854 1.00 0.00 C ATOM 325 O GLY A 23 -0.236 -17.471 5.930 1.00 0.00 O ATOM 0 H GLY A 23 3.497 -17.452 5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.800 -19.192 5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.898 -18.422 7.361 1.00 0.00 H new ATOM 329 N ASP A 24 1.439 -16.066 5.397 1.00 0.00 N ATOM 330 CA ASP A 24 0.550 -15.001 4.948 1.00 0.00 C ATOM 331 C ASP A 24 0.085 -15.249 3.516 1.00 0.00 C ATOM 332 O ASP A 24 0.845 -15.742 2.681 1.00 0.00 O ATOM 333 CB ASP A 24 1.254 -13.646 5.041 1.00 0.00 C ATOM 334 CG ASP A 24 1.190 -13.056 6.436 1.00 0.00 C ATOM 335 OD1 ASP A 24 1.555 -13.764 7.398 1.00 0.00 O ATOM 336 OD2 ASP A 24 0.776 -11.885 6.565 1.00 0.00 O ATOM 0 H ASP A 24 2.432 -15.844 5.328 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.324 -14.993 5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.297 -13.760 4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.797 -12.953 4.335 1.00 0.00 H new ATOM 341 N THR A 25 -1.169 -14.905 3.238 1.00 0.00 N ATOM 342 CA THR A 25 -1.736 -15.093 1.909 1.00 0.00 C ATOM 343 C THR A 25 -2.237 -13.773 1.334 1.00 0.00 C ATOM 344 O THR A 25 -2.787 -12.939 2.055 1.00 0.00 O ATOM 345 CB THR A 25 -2.898 -16.104 1.931 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.720 -15.880 3.082 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.372 -17.531 1.948 1.00 0.00 C ATOM 0 H THR A 25 -1.811 -14.495 3.916 1.00 0.00 H new ATOM 0 HA THR A 25 -0.938 -15.483 1.277 1.00 0.00 H new ATOM 0 HB THR A 25 -3.492 -15.962 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.457 -16.525 3.088 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.210 -18.228 1.963 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.770 -17.707 1.057 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.758 -17.682 2.836 1.00 0.00 H new ATOM 355 N LEU A 26 -2.045 -13.589 0.033 1.00 0.00 N ATOM 356 CA LEU A 26 -2.479 -12.369 -0.640 1.00 0.00 C ATOM 357 C LEU A 26 -3.872 -11.956 -0.174 1.00 0.00 C ATOM 358 O LEU A 26 -4.066 -10.851 0.330 1.00 0.00 O ATOM 359 CB LEU A 26 -2.475 -12.570 -2.156 1.00 0.00 C ATOM 360 CG LEU A 26 -1.167 -12.238 -2.874 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.082 -12.977 -4.200 1.00 0.00 C ATOM 362 CD2 LEU A 26 -1.043 -10.737 -3.089 1.00 0.00 C ATOM 0 H LEU A 26 -1.592 -14.269 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.779 -11.574 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.727 -13.610 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.268 -11.957 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.338 -12.565 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.144 -12.728 -4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.123 -14.051 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.918 -12.682 -4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.106 -10.519 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.878 -10.386 -3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.056 -10.229 -2.125 1.00 0.00 H new ATOM 374 N ALA A 27 -4.837 -12.853 -0.344 1.00 0.00 N ATOM 375 CA ALA A 27 -6.211 -12.584 0.063 1.00 0.00 C ATOM 376 C ALA A 27 -6.260 -11.976 1.460 1.00 0.00 C ATOM 377 O ALA A 27 -7.083 -11.105 1.740 1.00 0.00 O ATOM 378 CB ALA A 27 -7.036 -13.861 0.011 1.00 0.00 C ATOM 0 H ALA A 27 -4.693 -13.773 -0.761 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.636 -11.862 -0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.060 -13.646 0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.036 -14.253 -1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.604 -14.601 0.685 1.00 0.00 H new ATOM 384 N GLY A 28 -5.374 -12.442 2.335 1.00 0.00 N ATOM 385 CA GLY A 28 -5.335 -11.933 3.694 1.00 0.00 C ATOM 386 C GLY A 28 -4.945 -10.469 3.753 1.00 0.00 C ATOM 387 O GLY A 28 -5.681 -9.644 4.297 1.00 0.00 O ATOM 0 H GLY A 28 -4.683 -13.163 2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.313 -12.064 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.625 -12.519 4.278 1.00 0.00 H new ATOM 391 N LEU A 29 -3.785 -10.144 3.194 1.00 0.00 N ATOM 392 CA LEU A 29 -3.297 -8.770 3.187 1.00 0.00 C ATOM 393 C LEU A 29 -4.299 -7.840 2.510 1.00 0.00 C ATOM 394 O LEU A 29 -4.686 -6.815 3.069 1.00 0.00 O ATOM 395 CB LEU A 29 -1.947 -8.690 2.472 1.00 0.00 C ATOM 396 CG LEU A 29 -0.855 -9.625 2.995 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.196 -9.869 1.923 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.216 -9.049 4.250 1.00 0.00 C ATOM 0 H LEU A 29 -3.164 -10.814 2.739 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.173 -8.450 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.105 -8.904 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.583 -7.665 2.539 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.313 -10.581 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.965 -10.536 2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.273 -10.325 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.650 -8.921 1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.558 -9.727 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.228 -8.080 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.976 -8.926 5.022 1.00 0.00 H new ATOM 410 N ALA A 30 -4.717 -8.207 1.302 1.00 0.00 N ATOM 411 CA ALA A 30 -5.677 -7.408 0.551 1.00 0.00 C ATOM 412 C ALA A 30 -6.746 -6.827 1.470 1.00 0.00 C ATOM 413 O ALA A 30 -6.896 -5.609 1.572 1.00 0.00 O ATOM 414 CB ALA A 30 -6.318 -8.247 -0.544 1.00 0.00 C ATOM 0 H ALA A 30 -4.406 -9.052 0.823 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.141 -6.578 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.033 -7.638 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.547 -8.609 -1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.834 -9.096 -0.096 1.00 0.00 H new ATOM 420 N LEU A 31 -7.488 -7.705 2.136 1.00 0.00 N ATOM 421 CA LEU A 31 -8.544 -7.279 3.047 1.00 0.00 C ATOM 422 C LEU A 31 -7.957 -6.634 4.299 1.00 0.00 C ATOM 423 O LEU A 31 -8.458 -5.617 4.780 1.00 0.00 O ATOM 424 CB LEU A 31 -9.421 -8.471 3.436 1.00 0.00 C ATOM 425 CG LEU A 31 -9.977 -9.301 2.279 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.247 -10.729 2.728 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.245 -8.665 1.727 1.00 0.00 C ATOM 0 H LEU A 31 -7.378 -8.716 2.062 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.156 -6.538 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.840 -9.129 4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.259 -8.102 4.028 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.231 -9.326 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.642 -11.305 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.319 -11.183 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.974 -10.724 3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.627 -9.269 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.996 -8.608 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.021 -7.661 1.366 1.00 0.00 H new ATOM 439 N LYS A 32 -6.892 -7.231 4.821 1.00 0.00 N ATOM 440 CA LYS A 32 -6.233 -6.715 6.015 1.00 0.00 C ATOM 441 C LYS A 32 -6.122 -5.194 5.960 1.00 0.00 C ATOM 442 O LYS A 32 -6.254 -4.516 6.979 1.00 0.00 O ATOM 443 CB LYS A 32 -4.841 -7.333 6.162 1.00 0.00 C ATOM 444 CG LYS A 32 -4.098 -6.871 7.404 1.00 0.00 C ATOM 445 CD LYS A 32 -2.636 -7.284 7.366 1.00 0.00 C ATOM 446 CE LYS A 32 -2.451 -8.721 7.829 1.00 0.00 C ATOM 447 NZ LYS A 32 -1.056 -9.197 7.616 1.00 0.00 N ATOM 0 H LYS A 32 -6.466 -8.074 4.436 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.838 -6.987 6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.936 -8.419 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.248 -7.086 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.168 -5.787 7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.573 -7.292 8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.252 -7.175 6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.052 -6.618 8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.703 -8.797 8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.142 -9.368 7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.072 -10.182 7.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.589 -8.598 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.531 -9.145 8.512 1.00 0.00 H new ATOM 461 N TYR A 33 -5.880 -4.666 4.766 1.00 0.00 N ATOM 462 CA TYR A 33 -5.751 -3.226 4.579 1.00 0.00 C ATOM 463 C TYR A 33 -7.016 -2.641 3.957 1.00 0.00 C ATOM 464 O TYR A 33 -7.487 -1.579 4.362 1.00 0.00 O ATOM 465 CB TYR A 33 -4.543 -2.911 3.695 1.00 0.00 C ATOM 466 CG TYR A 33 -3.215 -3.191 4.363 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.727 -4.487 4.468 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.448 -2.157 4.887 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.515 -4.747 5.078 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.235 -2.408 5.498 1.00 0.00 C ATOM 471 CZ TYR A 33 -0.773 -3.704 5.591 1.00 0.00 C ATOM 472 OH TYR A 33 0.436 -3.958 6.198 1.00 0.00 O ATOM 0 H TYR A 33 -5.769 -5.214 3.913 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.605 -2.771 5.558 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.611 -3.498 2.779 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.580 -1.861 3.404 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.305 -5.306 4.066 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.806 -1.141 4.815 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.151 -5.761 5.153 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.651 -1.593 5.901 1.00 0.00 H new ATOM 0 HH TYR A 33 0.615 -4.921 6.179 1.00 0.00 H new ATOM 482 N GLY A 34 -7.562 -3.345 2.970 1.00 0.00 N ATOM 483 CA GLY A 34 -8.767 -2.882 2.307 1.00 0.00 C ATOM 484 C GLY A 34 -8.670 -2.970 0.797 1.00 0.00 C ATOM 485 O GLY A 34 -9.679 -2.893 0.097 1.00 0.00 O ATOM 0 H GLY A 34 -7.191 -4.228 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.616 -3.474 2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.962 -1.849 2.596 1.00 0.00 H new ATOM 489 N VAL A 35 -7.450 -3.132 0.293 1.00 0.00 N ATOM 490 CA VAL A 35 -7.224 -3.230 -1.144 1.00 0.00 C ATOM 491 C VAL A 35 -7.398 -4.665 -1.630 1.00 0.00 C ATOM 492 O VAL A 35 -7.391 -5.607 -0.838 1.00 0.00 O ATOM 493 CB VAL A 35 -5.815 -2.738 -1.525 1.00 0.00 C ATOM 494 CG1 VAL A 35 -5.635 -1.279 -1.135 1.00 0.00 C ATOM 495 CG2 VAL A 35 -4.752 -3.608 -0.872 1.00 0.00 C ATOM 0 H VAL A 35 -6.604 -3.198 0.859 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.966 -2.593 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.702 -2.817 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.634 -0.949 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.374 -0.670 -1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.768 -1.171 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.763 -3.246 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.861 -3.564 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.869 -4.639 -1.207 1.00 0.00 H new ATOM 505 N THR A 36 -7.555 -4.824 -2.941 1.00 0.00 N ATOM 506 CA THR A 36 -7.732 -6.143 -3.535 1.00 0.00 C ATOM 507 C THR A 36 -6.396 -6.734 -3.971 1.00 0.00 C ATOM 508 O THR A 36 -5.524 -6.020 -4.466 1.00 0.00 O ATOM 509 CB THR A 36 -8.678 -6.091 -4.749 1.00 0.00 C ATOM 510 OG1 THR A 36 -8.899 -7.412 -5.255 1.00 0.00 O ATOM 511 CG2 THR A 36 -8.100 -5.212 -5.848 1.00 0.00 C ATOM 0 H THR A 36 -7.563 -4.055 -3.611 1.00 0.00 H new ATOM 0 HA THR A 36 -8.174 -6.778 -2.767 1.00 0.00 H new ATOM 0 HB THR A 36 -9.627 -5.663 -4.424 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.503 -7.370 -6.026 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.786 -5.191 -6.695 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.960 -4.200 -5.469 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.139 -5.615 -6.169 1.00 0.00 H new ATOM 519 N MET A 37 -6.243 -8.041 -3.785 1.00 0.00 N ATOM 520 CA MET A 37 -5.012 -8.727 -4.162 1.00 0.00 C ATOM 521 C MET A 37 -4.487 -8.208 -5.496 1.00 0.00 C ATOM 522 O MET A 37 -3.329 -7.807 -5.604 1.00 0.00 O ATOM 523 CB MET A 37 -5.250 -10.236 -4.246 1.00 0.00 C ATOM 524 CG MET A 37 -5.761 -10.844 -2.950 1.00 0.00 C ATOM 525 SD MET A 37 -6.479 -12.481 -3.187 1.00 0.00 S ATOM 526 CE MET A 37 -5.040 -13.409 -3.711 1.00 0.00 C ATOM 0 H MET A 37 -6.955 -8.646 -3.376 1.00 0.00 H new ATOM 0 HA MET A 37 -4.264 -8.526 -3.395 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.968 -10.439 -5.041 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.318 -10.727 -4.526 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.940 -10.911 -2.236 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.510 -10.183 -2.513 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.309 -14.059 -4.544 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.258 -12.719 -4.027 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.676 -14.015 -2.881 1.00 0.00 H new ATOM 536 N GLU A 38 -5.347 -8.218 -6.510 1.00 0.00 N ATOM 537 CA GLU A 38 -4.968 -7.749 -7.838 1.00 0.00 C ATOM 538 C GLU A 38 -4.224 -6.419 -7.753 1.00 0.00 C ATOM 539 O GLU A 38 -3.138 -6.268 -8.311 1.00 0.00 O ATOM 540 CB GLU A 38 -6.207 -7.597 -8.722 1.00 0.00 C ATOM 541 CG GLU A 38 -5.921 -6.943 -10.064 1.00 0.00 C ATOM 542 CD GLU A 38 -6.020 -5.431 -10.009 1.00 0.00 C ATOM 543 OE1 GLU A 38 -7.148 -4.917 -9.856 1.00 0.00 O ATOM 544 OE2 GLU A 38 -4.972 -4.762 -10.118 1.00 0.00 O ATOM 0 H GLU A 38 -6.310 -8.546 -6.437 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.303 -8.490 -8.281 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.644 -8.581 -8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.952 -7.005 -8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.922 -7.226 -10.396 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.623 -7.323 -10.806 1.00 0.00 H new ATOM 551 N GLN A 39 -4.818 -5.459 -7.051 1.00 0.00 N ATOM 552 CA GLN A 39 -4.212 -4.142 -6.894 1.00 0.00 C ATOM 553 C GLN A 39 -2.776 -4.259 -6.396 1.00 0.00 C ATOM 554 O GLN A 39 -1.841 -3.809 -7.059 1.00 0.00 O ATOM 555 CB GLN A 39 -5.034 -3.293 -5.922 1.00 0.00 C ATOM 556 CG GLN A 39 -6.215 -2.593 -6.575 1.00 0.00 C ATOM 557 CD GLN A 39 -6.845 -1.549 -5.675 1.00 0.00 C ATOM 558 OE1 GLN A 39 -6.269 -1.159 -4.658 1.00 0.00 O ATOM 559 NE2 GLN A 39 -8.034 -1.088 -6.044 1.00 0.00 N ATOM 0 H GLN A 39 -5.717 -5.568 -6.582 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.200 -3.656 -7.870 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.400 -3.930 -5.116 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.385 -2.545 -5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.886 -2.119 -7.500 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.967 -3.334 -6.847 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.476 -1.439 -6.894 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.506 -0.383 -5.477 1.00 0.00 H new ATOM 568 N ILE A 40 -2.608 -4.866 -5.226 1.00 0.00 N ATOM 569 CA ILE A 40 -1.285 -5.043 -4.640 1.00 0.00 C ATOM 570 C ILE A 40 -0.326 -5.690 -5.634 1.00 0.00 C ATOM 571 O ILE A 40 0.773 -5.188 -5.870 1.00 0.00 O ATOM 572 CB ILE A 40 -1.344 -5.905 -3.366 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.283 -5.270 -2.338 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.050 -6.080 -2.780 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.808 -6.251 -1.313 1.00 0.00 C ATOM 0 H ILE A 40 -3.372 -5.244 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.920 -4.050 -4.380 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.733 -6.889 -3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.756 -4.467 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.126 -4.816 -2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.008 -6.692 -1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.693 -6.570 -3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.464 -5.104 -2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.467 -5.732 -0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.364 -7.042 -1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.972 -6.687 -0.765 1.00 0.00 H new ATOM 587 N LYS A 41 -0.750 -6.807 -6.215 1.00 0.00 N ATOM 588 CA LYS A 41 0.069 -7.522 -7.187 1.00 0.00 C ATOM 589 C LYS A 41 0.484 -6.603 -8.331 1.00 0.00 C ATOM 590 O LYS A 41 1.664 -6.293 -8.494 1.00 0.00 O ATOM 591 CB LYS A 41 -0.695 -8.728 -7.739 1.00 0.00 C ATOM 592 CG LYS A 41 -0.982 -9.795 -6.697 1.00 0.00 C ATOM 593 CD LYS A 41 -2.187 -10.639 -7.080 1.00 0.00 C ATOM 594 CE LYS A 41 -1.799 -11.768 -8.022 1.00 0.00 C ATOM 595 NZ LYS A 41 -2.972 -12.285 -8.780 1.00 0.00 N ATOM 0 H LYS A 41 -1.656 -7.237 -6.030 1.00 0.00 H new ATOM 0 HA LYS A 41 0.969 -7.870 -6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.638 -8.386 -8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.119 -9.171 -8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.109 -10.437 -6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.160 -9.323 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.643 -11.054 -6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.938 -10.008 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.042 -11.413 -8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.349 -12.580 -7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.666 -13.053 -9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.684 -12.647 -8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.386 -11.517 -9.346 1.00 0.00 H new ATOM 609 N ARG A 42 -0.494 -6.169 -9.120 1.00 0.00 N ATOM 610 CA ARG A 42 -0.229 -5.285 -10.249 1.00 0.00 C ATOM 611 C ARG A 42 0.555 -4.054 -9.803 1.00 0.00 C ATOM 612 O ARG A 42 1.356 -3.508 -10.561 1.00 0.00 O ATOM 613 CB ARG A 42 -1.542 -4.856 -10.906 1.00 0.00 C ATOM 614 CG ARG A 42 -2.036 -5.824 -11.969 1.00 0.00 C ATOM 615 CD ARG A 42 -2.933 -5.130 -12.981 1.00 0.00 C ATOM 616 NE ARG A 42 -3.190 -5.967 -14.150 1.00 0.00 N ATOM 617 CZ ARG A 42 -3.836 -5.543 -15.231 1.00 0.00 C ATOM 618 NH1 ARG A 42 -4.288 -4.298 -15.291 1.00 0.00 N ATOM 619 NH2 ARG A 42 -4.030 -6.364 -16.255 1.00 0.00 N ATOM 0 H ARG A 42 -1.476 -6.415 -8.998 1.00 0.00 H new ATOM 0 HA ARG A 42 0.371 -5.833 -10.975 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.307 -4.753 -10.136 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.409 -3.872 -11.356 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.183 -6.269 -12.482 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.583 -6.639 -11.495 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.879 -4.869 -12.507 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.467 -4.197 -13.299 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.855 -6.930 -14.136 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.140 -3.663 -14.506 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.784 -3.975 -16.122 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.683 -7.322 -16.213 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.526 -6.037 -17.084 1.00 0.00 H new ATOM 633 N ALA A 43 0.317 -3.623 -8.568 1.00 0.00 N ATOM 634 CA ALA A 43 1.002 -2.458 -8.021 1.00 0.00 C ATOM 635 C ALA A 43 2.493 -2.728 -7.850 1.00 0.00 C ATOM 636 O ALA A 43 3.309 -1.809 -7.904 1.00 0.00 O ATOM 637 CB ALA A 43 0.380 -2.056 -6.692 1.00 0.00 C ATOM 0 H ALA A 43 -0.344 -4.063 -7.928 1.00 0.00 H new ATOM 0 HA ALA A 43 0.887 -1.635 -8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.901 -1.185 -6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.672 -1.813 -6.841 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.464 -2.882 -5.986 1.00 0.00 H new ATOM 643 N ASN A 44 2.841 -3.994 -7.643 1.00 0.00 N ATOM 644 CA ASN A 44 4.234 -4.384 -7.462 1.00 0.00 C ATOM 645 C ASN A 44 4.608 -5.520 -8.408 1.00 0.00 C ATOM 646 O ASN A 44 5.584 -6.235 -8.181 1.00 0.00 O ATOM 647 CB ASN A 44 4.483 -4.809 -6.013 1.00 0.00 C ATOM 648 CG ASN A 44 3.883 -3.837 -5.015 1.00 0.00 C ATOM 649 OD1 ASN A 44 3.854 -2.629 -5.248 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.400 -4.363 -3.895 1.00 0.00 N ATOM 0 H ASN A 44 2.177 -4.767 -7.596 1.00 0.00 H new ATOM 0 HA ASN A 44 4.859 -3.522 -7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.060 -5.800 -5.850 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.556 -4.888 -5.839 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.984 -3.759 -3.186 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.445 -5.371 -3.744 1.00 0.00 H new ATOM 657 N ARG A 45 3.825 -5.681 -9.470 1.00 0.00 N ATOM 658 CA ARG A 45 4.073 -6.730 -10.451 1.00 0.00 C ATOM 659 C ARG A 45 4.661 -7.970 -9.784 1.00 0.00 C ATOM 660 O ARG A 45 5.636 -8.547 -10.268 1.00 0.00 O ATOM 661 CB ARG A 45 5.022 -6.226 -11.540 1.00 0.00 C ATOM 662 CG ARG A 45 6.329 -5.669 -10.999 1.00 0.00 C ATOM 663 CD ARG A 45 7.281 -5.292 -12.123 1.00 0.00 C ATOM 664 NE ARG A 45 7.006 -3.957 -12.648 1.00 0.00 N ATOM 665 CZ ARG A 45 7.662 -3.420 -13.671 1.00 0.00 C ATOM 666 NH1 ARG A 45 8.626 -4.101 -14.276 1.00 0.00 N ATOM 667 NH2 ARG A 45 7.355 -2.199 -14.091 1.00 0.00 N ATOM 0 H ARG A 45 3.013 -5.098 -9.673 1.00 0.00 H new ATOM 0 HA ARG A 45 3.120 -7.000 -10.906 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.242 -7.044 -12.226 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.519 -5.452 -12.119 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.125 -4.793 -10.384 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.802 -6.409 -10.353 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.307 -5.334 -11.758 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.199 -6.022 -12.928 1.00 0.00 H new ATOM 0 HE ARG A 45 6.270 -3.407 -12.205 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.865 -5.040 -13.956 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.128 -3.686 -15.061 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.615 -1.672 -13.628 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.859 -1.788 -14.876 1.00 0.00 H new ATOM 681 N LEU A 46 4.063 -8.375 -8.669 1.00 0.00 N ATOM 682 CA LEU A 46 4.527 -9.546 -7.933 1.00 0.00 C ATOM 683 C LEU A 46 4.238 -10.827 -8.710 1.00 0.00 C ATOM 684 O LEU A 46 4.761 -11.893 -8.386 1.00 0.00 O ATOM 685 CB LEU A 46 3.858 -9.608 -6.559 1.00 0.00 C ATOM 686 CG LEU A 46 4.567 -8.856 -5.433 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.708 -8.838 -4.178 1.00 0.00 C ATOM 688 CD2 LEU A 46 5.923 -9.484 -5.143 1.00 0.00 C ATOM 0 H LEU A 46 3.255 -7.910 -8.255 1.00 0.00 H new ATOM 0 HA LEU A 46 5.605 -9.458 -7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.846 -9.213 -6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.767 -10.655 -6.269 1.00 0.00 H new ATOM 0 HG LEU A 46 4.726 -7.827 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.230 -8.298 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.761 -8.342 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.517 -9.861 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.413 -8.936 -4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.786 -10.523 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.542 -9.444 -6.039 1.00 0.00 H new ATOM 700 N TYR A 47 3.404 -10.713 -9.738 1.00 0.00 N ATOM 701 CA TYR A 47 3.045 -11.862 -10.562 1.00 0.00 C ATOM 702 C TYR A 47 4.293 -12.574 -11.076 1.00 0.00 C ATOM 703 O TYR A 47 4.976 -12.084 -11.977 1.00 0.00 O ATOM 704 CB TYR A 47 2.175 -11.419 -11.739 1.00 0.00 C ATOM 705 CG TYR A 47 2.872 -10.466 -12.683 1.00 0.00 C ATOM 706 CD1 TYR A 47 2.859 -9.096 -12.453 1.00 0.00 C ATOM 707 CD2 TYR A 47 3.542 -10.935 -13.806 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.494 -8.221 -13.313 1.00 0.00 C ATOM 709 CE2 TYR A 47 4.181 -10.068 -14.671 1.00 0.00 C ATOM 710 CZ TYR A 47 4.154 -8.712 -14.420 1.00 0.00 C ATOM 711 OH TYR A 47 4.788 -7.844 -15.280 1.00 0.00 O ATOM 0 H TYR A 47 2.964 -9.837 -10.021 1.00 0.00 H new ATOM 0 HA TYR A 47 2.480 -12.559 -9.944 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.856 -12.300 -12.296 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.274 -10.942 -11.354 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.343 -8.708 -11.587 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.564 -11.996 -14.006 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.474 -7.159 -13.120 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.699 -10.450 -15.539 1.00 0.00 H new ATOM 0 HH TYR A 47 5.205 -8.351 -16.008 1.00 0.00 H new ATOM 721 N THR A 48 4.584 -13.735 -10.499 1.00 0.00 N ATOM 722 CA THR A 48 5.748 -14.516 -10.897 1.00 0.00 C ATOM 723 C THR A 48 5.392 -15.989 -11.062 1.00 0.00 C ATOM 724 O THR A 48 4.382 -16.455 -10.537 1.00 0.00 O ATOM 725 CB THR A 48 6.889 -14.387 -9.870 1.00 0.00 C ATOM 726 OG1 THR A 48 6.422 -14.762 -8.569 1.00 0.00 O ATOM 727 CG2 THR A 48 7.425 -12.964 -9.831 1.00 0.00 C ATOM 0 H THR A 48 4.029 -14.156 -9.754 1.00 0.00 H new ATOM 0 HA THR A 48 6.084 -14.117 -11.854 1.00 0.00 H new ATOM 0 HB THR A 48 7.696 -15.054 -10.172 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.505 -15.732 -8.459 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.230 -12.898 -9.099 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.807 -12.692 -10.815 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.623 -12.281 -9.551 1.00 0.00 H new ATOM 735 N ASN A 49 6.229 -16.717 -11.794 1.00 0.00 N ATOM 736 CA ASN A 49 6.002 -18.138 -12.028 1.00 0.00 C ATOM 737 C ASN A 49 5.753 -18.873 -10.714 1.00 0.00 C ATOM 738 O ASN A 49 4.874 -19.731 -10.627 1.00 0.00 O ATOM 739 CB ASN A 49 7.201 -18.756 -12.751 1.00 0.00 C ATOM 740 CG ASN A 49 6.821 -19.983 -13.556 1.00 0.00 C ATOM 741 OD1 ASN A 49 6.090 -20.851 -13.078 1.00 0.00 O ATOM 742 ND2 ASN A 49 7.318 -20.061 -14.785 1.00 0.00 N ATOM 0 H ASN A 49 7.071 -16.346 -12.235 1.00 0.00 H new ATOM 0 HA ASN A 49 5.116 -18.240 -12.655 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.645 -18.013 -13.414 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.963 -19.026 -12.020 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.098 -20.864 -15.374 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.920 -19.318 -15.140 1.00 0.00 H new ATOM 749 N ASP A 50 6.531 -18.529 -9.694 1.00 0.00 N ATOM 750 CA ASP A 50 6.395 -19.154 -8.383 1.00 0.00 C ATOM 751 C ASP A 50 5.687 -18.220 -7.407 1.00 0.00 C ATOM 752 O ASP A 50 5.694 -17.001 -7.582 1.00 0.00 O ATOM 753 CB ASP A 50 7.768 -19.542 -7.834 1.00 0.00 C ATOM 754 CG ASP A 50 8.373 -20.723 -8.567 1.00 0.00 C ATOM 755 OD1 ASP A 50 8.193 -20.811 -9.799 1.00 0.00 O ATOM 756 OD2 ASP A 50 9.026 -21.560 -7.908 1.00 0.00 O ATOM 0 H ASP A 50 7.263 -17.821 -9.749 1.00 0.00 H new ATOM 0 HA ASP A 50 5.792 -20.055 -8.498 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.441 -18.688 -7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.677 -19.783 -6.775 1.00 0.00 H new ATOM 761 N SER A 51 5.076 -18.799 -6.378 1.00 0.00 N ATOM 762 CA SER A 51 4.360 -18.018 -5.376 1.00 0.00 C ATOM 763 C SER A 51 5.096 -16.717 -5.073 1.00 0.00 C ATOM 764 O SER A 51 6.302 -16.606 -5.299 1.00 0.00 O ATOM 765 CB SER A 51 4.189 -18.832 -4.092 1.00 0.00 C ATOM 766 OG SER A 51 3.377 -19.972 -4.315 1.00 0.00 O ATOM 0 H SER A 51 5.063 -19.806 -6.216 1.00 0.00 H new ATOM 0 HA SER A 51 3.376 -17.773 -5.776 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.166 -19.144 -3.723 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.741 -18.208 -3.319 1.00 0.00 H new ATOM 0 HG SER A 51 3.285 -20.476 -3.480 1.00 0.00 H new ATOM 772 N ILE A 52 4.363 -15.735 -4.560 1.00 0.00 N ATOM 773 CA ILE A 52 4.945 -14.442 -4.225 1.00 0.00 C ATOM 774 C ILE A 52 5.901 -14.560 -3.042 1.00 0.00 C ATOM 775 O ILE A 52 6.789 -13.725 -2.862 1.00 0.00 O ATOM 776 CB ILE A 52 3.858 -13.405 -3.889 1.00 0.00 C ATOM 777 CG1 ILE A 52 3.042 -13.862 -2.678 1.00 0.00 C ATOM 778 CG2 ILE A 52 2.952 -13.180 -5.091 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.279 -12.742 -2.006 1.00 0.00 C ATOM 0 H ILE A 52 3.364 -15.810 -4.367 1.00 0.00 H new ATOM 0 HA ILE A 52 5.496 -14.107 -5.104 1.00 0.00 H new ATOM 0 HB ILE A 52 4.342 -12.460 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.338 -14.632 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.712 -14.322 -1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.188 -12.444 -4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.544 -12.815 -5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.473 -14.120 -5.367 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.724 -13.139 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.979 -11.982 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.584 -12.297 -2.718 1.00 0.00 H new ATOM 791 N PHE A 53 5.716 -15.603 -2.240 1.00 0.00 N ATOM 792 CA PHE A 53 6.562 -15.831 -1.075 1.00 0.00 C ATOM 793 C PHE A 53 8.036 -15.668 -1.433 1.00 0.00 C ATOM 794 O PHE A 53 8.878 -15.444 -0.562 1.00 0.00 O ATOM 795 CB PHE A 53 6.315 -17.229 -0.505 1.00 0.00 C ATOM 796 CG PHE A 53 5.002 -17.362 0.212 1.00 0.00 C ATOM 797 CD1 PHE A 53 4.792 -16.726 1.425 1.00 0.00 C ATOM 798 CD2 PHE A 53 3.977 -18.122 -0.329 1.00 0.00 C ATOM 799 CE1 PHE A 53 3.584 -16.846 2.086 1.00 0.00 C ATOM 800 CE2 PHE A 53 2.767 -18.244 0.328 1.00 0.00 C ATOM 801 CZ PHE A 53 2.571 -17.607 1.537 1.00 0.00 C ATOM 0 H PHE A 53 4.987 -16.304 -2.376 1.00 0.00 H new ATOM 0 HA PHE A 53 6.306 -15.088 -0.320 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.351 -17.955 -1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.122 -17.480 0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.581 -16.130 1.859 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.125 -18.624 -1.274 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.433 -16.345 3.031 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.975 -18.838 -0.104 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.627 -17.704 2.053 1.00 0.00 H new ATOM 811 N LEU A 54 8.342 -15.783 -2.721 1.00 0.00 N ATOM 812 CA LEU A 54 9.715 -15.650 -3.196 1.00 0.00 C ATOM 813 C LEU A 54 10.400 -14.449 -2.552 1.00 0.00 C ATOM 814 O LEU A 54 11.606 -14.466 -2.307 1.00 0.00 O ATOM 815 CB LEU A 54 9.736 -15.507 -4.719 1.00 0.00 C ATOM 816 CG LEU A 54 9.294 -16.736 -5.515 1.00 0.00 C ATOM 817 CD1 LEU A 54 8.825 -16.333 -6.904 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.428 -17.748 -5.606 1.00 0.00 C ATOM 0 H LEU A 54 7.658 -15.968 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 54 10.260 -16.550 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.094 -14.670 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.749 -15.245 -5.025 1.00 0.00 H new ATOM 0 HG LEU A 54 8.458 -17.202 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.515 -17.221 -7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.983 -15.646 -6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.641 -15.843 -7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.096 -18.616 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.283 -17.292 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.717 -18.061 -4.603 1.00 0.00 H new ATOM 830 N LYS A 55 9.622 -13.407 -2.278 1.00 0.00 N ATOM 831 CA LYS A 55 10.151 -12.198 -1.659 1.00 0.00 C ATOM 832 C LYS A 55 10.126 -12.310 -0.138 1.00 0.00 C ATOM 833 O LYS A 55 9.781 -13.356 0.413 1.00 0.00 O ATOM 834 CB LYS A 55 9.344 -10.977 -2.104 1.00 0.00 C ATOM 835 CG LYS A 55 9.218 -10.848 -3.612 1.00 0.00 C ATOM 836 CD LYS A 55 10.398 -10.099 -4.209 1.00 0.00 C ATOM 837 CE LYS A 55 10.219 -9.876 -5.703 1.00 0.00 C ATOM 838 NZ LYS A 55 10.745 -11.019 -6.501 1.00 0.00 N ATOM 0 H LYS A 55 8.622 -13.376 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 55 11.186 -12.079 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.347 -11.033 -1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.815 -10.077 -1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.152 -11.840 -4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.293 -10.326 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.511 -9.138 -3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.315 -10.661 -4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.161 -9.734 -5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.732 -8.961 -5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.605 -10.829 -7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.760 -11.139 -6.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.238 -11.888 -6.238 1.00 0.00 H new ATOM 852 N LYS A 56 10.492 -11.226 0.537 1.00 0.00 N ATOM 853 CA LYS A 56 10.509 -11.200 1.995 1.00 0.00 C ATOM 854 C LYS A 56 9.624 -10.079 2.530 1.00 0.00 C ATOM 855 O LYS A 56 8.966 -10.229 3.560 1.00 0.00 O ATOM 856 CB LYS A 56 11.940 -11.023 2.506 1.00 0.00 C ATOM 857 CG LYS A 56 12.636 -9.792 1.951 1.00 0.00 C ATOM 858 CD LYS A 56 13.375 -10.104 0.660 1.00 0.00 C ATOM 859 CE LYS A 56 14.300 -8.965 0.259 1.00 0.00 C ATOM 860 NZ LYS A 56 15.404 -8.776 1.240 1.00 0.00 N ATOM 0 H LYS A 56 10.781 -10.352 0.097 1.00 0.00 H new ATOM 0 HA LYS A 56 10.117 -12.151 2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.923 -10.961 3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.522 -11.907 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.901 -9.008 1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.339 -9.406 2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.955 -11.019 0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.655 -10.288 -0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.720 -9.168 -0.726 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.725 -8.042 0.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.181 -8.251 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.052 -8.241 2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.750 -9.704 1.556 1.00 0.00 H new ATOM 874 N THR A 57 9.611 -8.953 1.823 1.00 0.00 N ATOM 875 CA THR A 57 8.807 -7.806 2.226 1.00 0.00 C ATOM 876 C THR A 57 7.938 -7.312 1.076 1.00 0.00 C ATOM 877 O THR A 57 8.412 -7.151 -0.050 1.00 0.00 O ATOM 878 CB THR A 57 9.692 -6.646 2.721 1.00 0.00 C ATOM 879 OG1 THR A 57 10.962 -6.684 2.062 1.00 0.00 O ATOM 880 CG2 THR A 57 9.893 -6.723 4.227 1.00 0.00 C ATOM 0 H THR A 57 10.149 -8.811 0.968 1.00 0.00 H new ATOM 0 HA THR A 57 8.167 -8.140 3.043 1.00 0.00 H new ATOM 0 HB THR A 57 9.189 -5.708 2.486 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.518 -5.943 2.381 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.521 -5.894 4.553 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.926 -6.664 4.727 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.376 -7.666 4.482 1.00 0.00 H new ATOM 888 N LEU A 58 6.663 -7.073 1.364 1.00 0.00 N ATOM 889 CA LEU A 58 5.726 -6.595 0.353 1.00 0.00 C ATOM 890 C LEU A 58 5.107 -5.265 0.768 1.00 0.00 C ATOM 891 O LEU A 58 4.613 -5.121 1.887 1.00 0.00 O ATOM 892 CB LEU A 58 4.626 -7.632 0.119 1.00 0.00 C ATOM 893 CG LEU A 58 5.039 -8.887 -0.650 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.821 -9.564 -1.261 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.056 -8.542 -1.728 1.00 0.00 C ATOM 0 H LEU A 58 6.254 -7.202 2.290 1.00 0.00 H new ATOM 0 HA LEU A 58 6.278 -6.443 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.231 -7.938 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.810 -7.151 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 58 5.503 -9.582 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.135 -10.455 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.127 -9.847 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.328 -8.875 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.338 -9.448 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.619 -7.828 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.941 -8.103 -1.267 1.00 0.00 H new ATOM 907 N TYR A 59 5.136 -4.296 -0.140 1.00 0.00 N ATOM 908 CA TYR A 59 4.578 -2.976 0.132 1.00 0.00 C ATOM 909 C TYR A 59 3.067 -2.970 -0.079 1.00 0.00 C ATOM 910 O TYR A 59 2.546 -3.691 -0.930 1.00 0.00 O ATOM 911 CB TYR A 59 5.235 -1.927 -0.766 1.00 0.00 C ATOM 912 CG TYR A 59 6.657 -2.264 -1.152 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.559 -2.742 -0.209 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.099 -2.107 -2.460 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.860 -3.050 -0.557 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.397 -2.415 -2.818 1.00 0.00 C ATOM 917 CZ TYR A 59 9.274 -2.886 -1.863 1.00 0.00 C ATOM 918 OH TYR A 59 10.568 -3.194 -2.214 1.00 0.00 O ATOM 0 H TYR A 59 5.540 -4.399 -1.071 1.00 0.00 H new ATOM 0 HA TYR A 59 4.782 -2.730 1.174 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.639 -1.812 -1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.225 -0.965 -0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.237 -2.875 0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.415 -1.738 -3.210 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.549 -3.417 0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.723 -2.288 -3.840 1.00 0.00 H new ATOM 0 HH TYR A 59 10.697 -3.023 -3.170 1.00 0.00 H new ATOM 928 N ILE A 60 2.371 -2.150 0.701 1.00 0.00 N ATOM 929 CA ILE A 60 0.921 -2.047 0.598 1.00 0.00 C ATOM 930 C ILE A 60 0.496 -0.639 0.196 1.00 0.00 C ATOM 931 O ILE A 60 0.805 0.345 0.868 1.00 0.00 O ATOM 932 CB ILE A 60 0.235 -2.418 1.927 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.653 -3.822 2.367 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.277 -2.329 1.785 1.00 0.00 C ATOM 935 CD1 ILE A 60 0.007 -4.926 1.560 1.00 0.00 C ATOM 0 H ILE A 60 2.788 -1.548 1.411 1.00 0.00 H new ATOM 0 HA ILE A 60 0.609 -2.752 -0.173 1.00 0.00 H new ATOM 0 HB ILE A 60 0.551 -1.709 2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.736 -3.911 2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.399 -3.955 3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.748 -2.594 2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.558 -1.312 1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.611 -3.018 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.349 -5.893 1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.077 -4.863 1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.282 -4.818 0.511 1.00 0.00 H new ATOM 947 N PRO A 61 -0.230 -0.538 -0.927 1.00 0.00 N ATOM 948 CA PRO A 61 -0.715 0.745 -1.444 1.00 0.00 C ATOM 949 C PRO A 61 -1.807 1.348 -0.566 1.00 0.00 C ATOM 950 O PRO A 61 -2.860 0.742 -0.366 1.00 0.00 O ATOM 951 CB PRO A 61 -1.275 0.384 -2.822 1.00 0.00 C ATOM 952 CG PRO A 61 -1.638 -1.058 -2.717 1.00 0.00 C ATOM 953 CD PRO A 61 -0.635 -1.670 -1.778 1.00 0.00 C ATOM 0 HA PRO A 61 0.074 1.497 -1.473 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.144 0.994 -3.069 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.536 0.550 -3.606 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.652 -1.178 -2.337 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.604 -1.541 -3.693 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.074 -2.477 -1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.214 -2.092 -2.316 1.00 0.00 H new ATOM 961 N ILE A 62 -1.549 2.543 -0.047 1.00 0.00 N ATOM 962 CA ILE A 62 -2.511 3.228 0.807 1.00 0.00 C ATOM 963 C ILE A 62 -3.401 4.163 -0.005 1.00 0.00 C ATOM 964 O ILE A 62 -2.910 5.031 -0.729 1.00 0.00 O ATOM 965 CB ILE A 62 -1.807 4.039 1.911 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.651 3.233 2.507 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.800 4.432 2.995 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.195 4.020 3.483 1.00 0.00 C ATOM 0 H ILE A 62 -0.682 3.057 -0.203 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.126 2.456 1.270 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.401 4.950 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.054 2.356 3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.016 2.871 1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.287 5.005 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.593 5.040 2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.232 3.534 3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.995 3.386 3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.627 4.883 2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.426 4.359 4.312 1.00 0.00 H new