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= -0.14 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.217 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 180: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= -0.535 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0324 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -4.72! C(o=-4.7!,f=-2.5!) USER MOD Single : A 79 GLN : amide:sc= -0.0129 X(o=-0.013,f=-0.002) USER MOD Single : A 83 HIS : no HD1:sc= -0.674 K(o=-0.67,f=-0.13) USER MOD Single : A 84 HIS : no HE2:sc= -5.67! K(o=-5.7!,f=-4.7) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.09 X(o=-0.09,f=-0.22) USER MOD Single : A 99 MET CE :methyl -151:sc= -2.18 (180deg=-4.06!) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 13 -8.403 -6.419 -16.508 1.00 0.00 N ATOM 149 CA GLU A 13 -7.565 -6.741 -15.366 1.00 0.00 C ATOM 150 C GLU A 13 -6.746 -5.519 -14.946 1.00 0.00 C ATOM 151 O GLU A 13 -6.248 -4.780 -15.794 1.00 0.00 O ATOM 152 CB GLU A 13 -6.655 -7.932 -15.672 1.00 0.00 C ATOM 153 CG GLU A 13 -5.478 -7.511 -16.554 1.00 0.00 C ATOM 154 CD GLU A 13 -4.640 -8.723 -16.966 1.00 0.00 C ATOM 155 OE1 GLU A 13 -4.999 -9.339 -17.993 1.00 0.00 O ATOM 156 OE2 GLU A 13 -3.659 -9.006 -16.245 1.00 0.00 O ATOM 0 HA GLU A 13 -8.211 -7.023 -14.535 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.282 -8.358 -14.741 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.228 -8.713 -16.172 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.849 -7.002 -17.443 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.853 -6.798 -16.016 1.00 0.00 H new ATOM 163 N GLU A 14 -6.631 -5.344 -13.638 1.00 0.00 N ATOM 164 CA GLU A 14 -5.881 -4.224 -13.096 1.00 0.00 C ATOM 165 C GLU A 14 -4.639 -3.954 -13.948 1.00 0.00 C ATOM 166 O GLU A 14 -4.131 -4.856 -14.613 1.00 0.00 O ATOM 167 CB GLU A 14 -5.500 -4.475 -11.635 1.00 0.00 C ATOM 168 CG GLU A 14 -6.629 -4.053 -10.693 1.00 0.00 C ATOM 169 CD GLU A 14 -6.604 -4.876 -9.404 1.00 0.00 C ATOM 170 OE1 GLU A 14 -6.994 -6.061 -9.479 1.00 0.00 O ATOM 171 OE2 GLU A 14 -6.195 -4.302 -8.372 1.00 0.00 O ATOM 0 H GLU A 14 -7.045 -5.959 -12.937 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.516 -3.339 -13.125 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.277 -5.532 -11.490 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.593 -3.922 -11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.532 -2.994 -10.454 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.590 -4.180 -11.191 1.00 0.00 H new ATOM 178 N GLU A 15 -4.187 -2.710 -13.900 1.00 0.00 N ATOM 179 CA GLU A 15 -3.014 -2.311 -14.659 1.00 0.00 C ATOM 180 C GLU A 15 -1.939 -1.754 -13.723 1.00 0.00 C ATOM 181 O GLU A 15 -2.211 -1.478 -12.556 1.00 0.00 O ATOM 182 CB GLU A 15 -3.382 -1.291 -15.739 1.00 0.00 C ATOM 183 CG GLU A 15 -4.318 -0.217 -15.183 1.00 0.00 C ATOM 184 CD GLU A 15 -4.799 0.719 -16.294 1.00 0.00 C ATOM 185 OE1 GLU A 15 -5.783 0.343 -16.966 1.00 0.00 O ATOM 186 OE2 GLU A 15 -4.172 1.790 -16.445 1.00 0.00 O ATOM 0 H GLU A 15 -4.612 -1.965 -13.348 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.611 -3.192 -15.158 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.477 -0.824 -16.127 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.862 -1.799 -16.575 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.176 -0.689 -14.704 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.801 0.359 -14.415 1.00 0.00 H new ATOM 193 N GLU A 16 -0.742 -1.606 -14.270 1.00 0.00 N ATOM 194 CA GLU A 16 0.375 -1.088 -13.499 1.00 0.00 C ATOM 195 C GLU A 16 0.347 0.442 -13.487 1.00 0.00 C ATOM 196 O GLU A 16 0.030 1.069 -14.497 1.00 0.00 O ATOM 197 CB GLU A 16 1.706 -1.607 -14.044 1.00 0.00 C ATOM 198 CG GLU A 16 2.010 -3.007 -13.507 1.00 0.00 C ATOM 199 CD GLU A 16 2.224 -4.000 -14.651 1.00 0.00 C ATOM 200 OE1 GLU A 16 3.309 -3.930 -15.268 1.00 0.00 O ATOM 201 OE2 GLU A 16 1.297 -4.806 -14.884 1.00 0.00 O ATOM 0 H GLU A 16 -0.521 -1.836 -15.239 1.00 0.00 H new ATOM 0 HA GLU A 16 0.278 -1.443 -12.473 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.673 -1.631 -15.133 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.508 -0.924 -13.765 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.900 -2.974 -12.879 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.187 -3.345 -12.877 1.00 0.00 H new ATOM 208 N LEU A 17 0.682 0.999 -12.332 1.00 0.00 N ATOM 209 CA LEU A 17 0.699 2.444 -12.175 1.00 0.00 C ATOM 210 C LEU A 17 1.942 2.851 -11.382 1.00 0.00 C ATOM 211 O LEU A 17 2.546 2.025 -10.699 1.00 0.00 O ATOM 212 CB LEU A 17 -0.613 2.931 -11.556 1.00 0.00 C ATOM 213 CG LEU A 17 -1.842 2.058 -11.816 1.00 0.00 C ATOM 214 CD1 LEU A 17 -2.905 2.272 -10.737 1.00 0.00 C ATOM 215 CD2 LEU A 17 -2.397 2.298 -13.222 1.00 0.00 C ATOM 0 H LEU A 17 0.944 0.476 -11.496 1.00 0.00 H new ATOM 0 HA LEU A 17 0.766 2.933 -13.147 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.474 3.016 -10.478 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.818 3.934 -11.931 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.536 1.013 -11.764 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.768 1.640 -10.946 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.492 2.012 -9.762 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.214 3.317 -10.733 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.270 1.665 -13.381 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.683 3.345 -13.326 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.633 2.055 -13.961 1.00 0.00 H new ATOM 227 N THR A 18 2.288 4.125 -11.498 1.00 0.00 N ATOM 228 CA THR A 18 3.448 4.652 -10.800 1.00 0.00 C ATOM 229 C THR A 18 3.110 5.990 -10.138 1.00 0.00 C ATOM 230 O THR A 18 2.983 7.008 -10.817 1.00 0.00 O ATOM 231 CB THR A 18 4.600 4.744 -11.802 1.00 0.00 C ATOM 232 OG1 THR A 18 4.411 3.618 -12.654 1.00 0.00 O ATOM 233 CG2 THR A 18 5.963 4.495 -11.152 1.00 0.00 C ATOM 0 H THR A 18 1.785 4.808 -12.065 1.00 0.00 H new ATOM 0 HA THR A 18 3.755 3.992 -9.989 1.00 0.00 H new ATOM 0 HB THR A 18 4.595 5.728 -12.270 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.115 3.602 -13.335 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.746 4.572 -11.907 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.136 5.238 -10.373 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.980 3.498 -10.712 1.00 0.00 H new ATOM 241 N LEU A 19 2.973 5.944 -8.821 1.00 0.00 N ATOM 242 CA LEU A 19 2.652 7.139 -8.060 1.00 0.00 C ATOM 243 C LEU A 19 3.948 7.793 -7.576 1.00 0.00 C ATOM 244 O LEU A 19 4.995 7.149 -7.534 1.00 0.00 O ATOM 245 CB LEU A 19 1.671 6.809 -6.933 1.00 0.00 C ATOM 246 CG LEU A 19 0.789 7.964 -6.453 1.00 0.00 C ATOM 247 CD1 LEU A 19 -0.369 8.209 -7.422 1.00 0.00 C ATOM 248 CD2 LEU A 19 0.299 7.721 -5.024 1.00 0.00 C ATOM 0 H LEU A 19 3.078 5.098 -8.262 1.00 0.00 H new ATOM 0 HA LEU A 19 2.143 7.868 -8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.024 5.998 -7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.239 6.433 -6.082 1.00 0.00 H new ATOM 0 HG LEU A 19 1.393 8.872 -6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.980 9.035 -7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.027 8.458 -8.407 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.980 7.309 -7.493 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.326 8.556 -4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.282 6.800 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.156 7.634 -4.356 1.00 0.00 H new ATOM 260 N THR A 20 3.835 9.065 -7.222 1.00 0.00 N ATOM 261 CA THR A 20 4.984 9.813 -6.742 1.00 0.00 C ATOM 262 C THR A 20 4.606 10.640 -5.512 1.00 0.00 C ATOM 263 O THR A 20 3.565 11.295 -5.495 1.00 0.00 O ATOM 264 CB THR A 20 5.517 10.658 -7.902 1.00 0.00 C ATOM 265 OG1 THR A 20 5.559 9.751 -9.001 1.00 0.00 O ATOM 266 CG2 THR A 20 6.976 11.071 -7.704 1.00 0.00 C ATOM 0 H THR A 20 2.965 9.596 -7.258 1.00 0.00 H new ATOM 0 HA THR A 20 5.781 9.146 -6.414 1.00 0.00 H new ATOM 0 HB THR A 20 4.900 11.549 -8.015 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.892 10.216 -9.797 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.304 11.668 -8.555 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.067 11.660 -6.791 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.599 10.180 -7.625 1.00 0.00 H new ATOM 274 N ILE A 21 5.474 10.584 -4.512 1.00 0.00 N ATOM 275 CA ILE A 21 5.244 11.320 -3.280 1.00 0.00 C ATOM 276 C ILE A 21 6.488 12.145 -2.945 1.00 0.00 C ATOM 277 O ILE A 21 7.599 11.783 -3.327 1.00 0.00 O ATOM 278 CB ILE A 21 4.816 10.369 -2.160 1.00 0.00 C ATOM 279 CG1 ILE A 21 3.669 9.466 -2.616 1.00 0.00 C ATOM 280 CG2 ILE A 21 4.465 11.144 -0.888 1.00 0.00 C ATOM 281 CD1 ILE A 21 3.718 8.114 -1.900 1.00 0.00 C ATOM 0 H ILE A 21 6.337 10.041 -4.530 1.00 0.00 H new ATOM 0 HA ILE A 21 4.419 12.022 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 21 5.659 9.721 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.715 9.954 -2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.728 9.313 -3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.164 10.445 -0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.336 11.708 -0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.645 11.831 -1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.892 7.491 -2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.663 7.618 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.634 8.269 -0.824 1.00 0.00 H new ATOM 293 N LEU A 22 6.258 13.240 -2.234 1.00 0.00 N ATOM 294 CA LEU A 22 7.346 14.120 -1.843 1.00 0.00 C ATOM 295 C LEU A 22 7.656 13.912 -0.359 1.00 0.00 C ATOM 296 O LEU A 22 6.816 14.184 0.498 1.00 0.00 O ATOM 297 CB LEU A 22 7.020 15.570 -2.206 1.00 0.00 C ATOM 298 CG LEU A 22 7.059 15.913 -3.697 1.00 0.00 C ATOM 299 CD1 LEU A 22 8.333 16.684 -4.049 1.00 0.00 C ATOM 300 CD2 LEU A 22 6.895 14.655 -4.553 1.00 0.00 C ATOM 0 H LEU A 22 5.335 13.537 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 22 8.252 13.874 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.026 15.804 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.722 16.221 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 22 6.216 16.566 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.336 16.915 -5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.367 17.611 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.205 16.076 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.926 14.926 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.703 13.958 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.938 14.184 -4.328 1.00 0.00 H new ATOM 312 N ARG A 23 8.864 13.433 -0.100 1.00 0.00 N ATOM 313 CA ARG A 23 9.294 13.186 1.265 1.00 0.00 C ATOM 314 C ARG A 23 9.520 14.510 1.998 1.00 0.00 C ATOM 315 O ARG A 23 10.066 15.454 1.428 1.00 0.00 O ATOM 316 CB ARG A 23 10.586 12.367 1.296 1.00 0.00 C ATOM 317 CG ARG A 23 10.558 11.339 2.429 1.00 0.00 C ATOM 318 CD ARG A 23 11.819 10.474 2.416 1.00 0.00 C ATOM 319 NE ARG A 23 12.753 10.925 3.472 1.00 0.00 N ATOM 320 CZ ARG A 23 12.673 10.550 4.756 1.00 0.00 C ATOM 321 NH1 ARG A 23 11.702 9.715 5.151 1.00 0.00 N ATOM 322 NH2 ARG A 23 13.564 11.009 5.644 1.00 0.00 N ATOM 0 H ARG A 23 9.558 13.209 -0.813 1.00 0.00 H new ATOM 0 HA ARG A 23 8.507 12.620 1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.721 11.858 0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.439 13.033 1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.474 11.851 3.387 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.677 10.705 2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.555 9.429 2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.302 10.536 1.441 1.00 0.00 H new ATOM 0 HE ARG A 23 13.505 11.561 3.206 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.024 9.365 4.474 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.641 9.430 6.128 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.303 11.644 5.343 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.503 10.724 6.621 1.00 0.00 H new ATOM 381 N LEU A 28 6.187 9.117 4.411 1.00 0.00 N ATOM 382 CA LEU A 28 4.908 8.863 3.770 1.00 0.00 C ATOM 383 C LEU A 28 3.811 8.803 4.835 1.00 0.00 C ATOM 384 O LEU A 28 4.099 8.843 6.030 1.00 0.00 O ATOM 385 CB LEU A 28 4.985 7.610 2.896 1.00 0.00 C ATOM 386 CG LEU A 28 6.299 7.400 2.141 1.00 0.00 C ATOM 387 CD1 LEU A 28 6.234 6.146 1.266 1.00 0.00 C ATOM 388 CD2 LEU A 28 6.673 8.644 1.333 1.00 0.00 C ATOM 0 HA LEU A 28 4.653 9.679 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.808 6.739 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.173 7.647 2.170 1.00 0.00 H new ATOM 0 HG LEU A 28 7.091 7.242 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.180 6.020 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.048 5.274 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.427 6.250 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.611 8.467 0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.886 8.859 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.789 9.494 2.006 1.00 0.00 H new ATOM 400 N GLY A 29 2.577 8.708 4.363 1.00 0.00 N ATOM 401 CA GLY A 29 1.435 8.642 5.260 1.00 0.00 C ATOM 402 C GLY A 29 0.435 7.581 4.798 1.00 0.00 C ATOM 403 O GLY A 29 -0.741 7.878 4.594 1.00 0.00 O ATOM 0 H GLY A 29 2.342 8.675 3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.774 8.412 6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.945 9.615 5.302 1.00 0.00 H new ATOM 407 N ILE A 30 0.939 6.365 4.646 1.00 0.00 N ATOM 408 CA ILE A 30 0.105 5.258 4.211 1.00 0.00 C ATOM 409 C ILE A 30 0.459 4.009 5.021 1.00 0.00 C ATOM 410 O ILE A 30 1.391 4.029 5.824 1.00 0.00 O ATOM 411 CB ILE A 30 0.219 5.062 2.698 1.00 0.00 C ATOM 412 CG1 ILE A 30 1.684 4.945 2.270 1.00 0.00 C ATOM 413 CG2 ILE A 30 -0.511 6.175 1.944 1.00 0.00 C ATOM 414 CD1 ILE A 30 1.967 3.573 1.654 1.00 0.00 C ATOM 0 H ILE A 30 1.915 6.122 4.816 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.946 5.476 4.402 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.269 4.123 2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.919 5.727 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.332 5.101 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.414 6.011 0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.566 6.169 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.074 7.139 2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.015 3.516 1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.754 2.794 2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.335 3.430 0.778 1.00 0.00 H new ATOM 426 N SER A 31 -0.304 2.952 4.783 1.00 0.00 N ATOM 427 CA SER A 31 -0.082 1.697 5.481 1.00 0.00 C ATOM 428 C SER A 31 0.021 0.550 4.474 1.00 0.00 C ATOM 429 O SER A 31 -0.398 0.688 3.325 1.00 0.00 O ATOM 430 CB SER A 31 -1.201 1.421 6.487 1.00 0.00 C ATOM 431 OG SER A 31 -0.871 1.884 7.793 1.00 0.00 O ATOM 0 H SER A 31 -1.076 2.939 4.117 1.00 0.00 H new ATOM 0 HA SER A 31 0.855 1.773 6.033 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.118 1.906 6.151 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.401 0.350 6.522 1.00 0.00 H new ATOM 0 HG SER A 31 -1.611 1.691 8.405 1.00 0.00 H new ATOM 437 N ILE A 32 0.581 -0.557 4.940 1.00 0.00 N ATOM 438 CA ILE A 32 0.744 -1.727 4.095 1.00 0.00 C ATOM 439 C ILE A 32 0.265 -2.968 4.851 1.00 0.00 C ATOM 440 O ILE A 32 0.207 -2.967 6.080 1.00 0.00 O ATOM 441 CB ILE A 32 2.186 -1.830 3.596 1.00 0.00 C ATOM 442 CG1 ILE A 32 3.153 -2.065 4.758 1.00 0.00 C ATOM 443 CG2 ILE A 32 2.570 -0.600 2.770 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.535 -2.478 4.247 1.00 0.00 C ATOM 0 H ILE A 32 0.928 -0.668 5.893 1.00 0.00 H new ATOM 0 HA ILE A 32 0.127 -1.640 3.201 1.00 0.00 H new ATOM 0 HB ILE A 32 2.258 -2.695 2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.238 -1.156 5.354 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.757 -2.840 5.414 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.600 -0.699 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.907 -0.519 1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.476 0.295 3.385 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.203 -2.639 5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.450 -3.400 3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.938 -1.690 3.611 1.00 0.00 H new ATOM 456 N ALA A 33 -0.067 -3.997 4.085 1.00 0.00 N ATOM 457 CA ALA A 33 -0.539 -5.241 4.667 1.00 0.00 C ATOM 458 C ALA A 33 -0.021 -6.417 3.836 1.00 0.00 C ATOM 459 O ALA A 33 0.420 -6.234 2.702 1.00 0.00 O ATOM 460 CB ALA A 33 -2.067 -5.217 4.754 1.00 0.00 C ATOM 0 H ALA A 33 -0.018 -3.994 3.066 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.156 -5.360 5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.421 -6.151 5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.383 -4.381 5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.487 -5.102 3.755 1.00 0.00 H new ATOM 466 N GLY A 34 -0.092 -7.598 4.432 1.00 0.00 N ATOM 467 CA GLY A 34 0.365 -8.804 3.761 1.00 0.00 C ATOM 468 C GLY A 34 1.849 -9.056 4.036 1.00 0.00 C ATOM 469 O GLY A 34 2.242 -9.283 5.179 1.00 0.00 O ATOM 0 H GLY A 34 -0.459 -7.746 5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.221 -9.658 4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.201 -8.711 2.687 1.00 0.00 H new ATOM 473 N GLY A 35 2.632 -9.006 2.969 1.00 0.00 N ATOM 474 CA GLY A 35 4.064 -9.226 3.081 1.00 0.00 C ATOM 475 C GLY A 35 4.363 -10.626 3.620 1.00 0.00 C ATOM 476 O GLY A 35 3.836 -11.020 4.660 1.00 0.00 O ATOM 0 H GLY A 35 2.302 -8.816 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.532 -9.101 2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.500 -8.477 3.742 1.00 0.00 H new ATOM 480 N LYS A 36 5.207 -11.339 2.889 1.00 0.00 N ATOM 481 CA LYS A 36 5.583 -12.687 3.282 1.00 0.00 C ATOM 482 C LYS A 36 5.782 -12.736 4.798 1.00 0.00 C ATOM 483 O LYS A 36 6.752 -12.186 5.318 1.00 0.00 O ATOM 484 CB LYS A 36 6.802 -13.157 2.485 1.00 0.00 C ATOM 485 CG LYS A 36 7.221 -14.567 2.906 1.00 0.00 C ATOM 486 CD LYS A 36 7.971 -15.276 1.776 1.00 0.00 C ATOM 487 CE LYS A 36 9.344 -14.640 1.546 1.00 0.00 C ATOM 488 NZ LYS A 36 10.286 -15.632 0.982 1.00 0.00 N ATOM 0 H LYS A 36 5.641 -11.009 2.027 1.00 0.00 H new ATOM 0 HA LYS A 36 4.785 -13.390 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.571 -13.145 1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.631 -12.466 2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.856 -14.513 3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.339 -15.146 3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.091 -16.331 2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.385 -15.226 0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.250 -13.792 0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.734 -14.253 2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.213 -15.184 0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.389 -16.428 1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.919 -15.982 0.074 1.00 0.00 H new ATOM 502 N GLY A 37 4.849 -13.399 5.464 1.00 0.00 N ATOM 503 CA GLY A 37 4.910 -13.526 6.910 1.00 0.00 C ATOM 504 C GLY A 37 3.783 -12.736 7.579 1.00 0.00 C ATOM 505 O GLY A 37 4.016 -12.015 8.548 1.00 0.00 O ATOM 0 H GLY A 37 4.046 -13.854 5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.837 -14.577 7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.874 -13.166 7.270 1.00 0.00 H new ATOM 509 N SER A 38 2.586 -12.897 7.034 1.00 0.00 N ATOM 510 CA SER A 38 1.423 -12.208 7.565 1.00 0.00 C ATOM 511 C SER A 38 0.196 -12.513 6.704 1.00 0.00 C ATOM 512 O SER A 38 0.321 -13.058 5.608 1.00 0.00 O ATOM 513 CB SER A 38 1.661 -10.698 7.634 1.00 0.00 C ATOM 514 OG SER A 38 1.605 -10.209 8.971 1.00 0.00 O ATOM 0 H SER A 38 2.397 -13.495 6.230 1.00 0.00 H new ATOM 0 HA SER A 38 1.246 -12.567 8.579 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.635 -10.464 7.203 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.913 -10.185 7.029 1.00 0.00 H new ATOM 0 HG SER A 38 1.764 -9.242 8.973 1.00 0.00 H new ATOM 520 N THR A 39 -0.963 -12.147 7.231 1.00 0.00 N ATOM 521 CA THR A 39 -2.212 -12.374 6.525 1.00 0.00 C ATOM 522 C THR A 39 -2.309 -11.457 5.304 1.00 0.00 C ATOM 523 O THR A 39 -1.909 -10.295 5.363 1.00 0.00 O ATOM 524 CB THR A 39 -3.360 -12.186 7.519 1.00 0.00 C ATOM 525 OG1 THR A 39 -3.361 -13.391 8.280 1.00 0.00 O ATOM 526 CG2 THR A 39 -4.729 -12.174 6.838 1.00 0.00 C ATOM 0 H THR A 39 -1.063 -11.694 8.140 1.00 0.00 H new ATOM 0 HA THR A 39 -2.265 -13.390 6.134 1.00 0.00 H new ATOM 0 HB THR A 39 -3.218 -11.253 8.064 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.075 -13.354 8.951 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.508 -12.038 7.589 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.771 -11.356 6.119 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.886 -13.120 6.320 1.00 0.00 H new ATOM 534 N PRO A 40 -2.857 -12.027 4.198 1.00 0.00 N ATOM 535 CA PRO A 40 -3.012 -11.273 2.966 1.00 0.00 C ATOM 536 C PRO A 40 -4.173 -10.282 3.071 1.00 0.00 C ATOM 537 O PRO A 40 -5.051 -10.437 3.918 1.00 0.00 O ATOM 538 CB PRO A 40 -3.224 -12.323 1.887 1.00 0.00 C ATOM 539 CG PRO A 40 -3.643 -13.590 2.614 1.00 0.00 C ATOM 540 CD PRO A 40 -3.342 -13.400 4.092 1.00 0.00 C ATOM 0 HA PRO A 40 -2.143 -10.656 2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.991 -12.007 1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.310 -12.485 1.315 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.705 -13.784 2.462 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.103 -14.452 2.222 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.233 -13.553 4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.593 -14.112 4.438 1.00 0.00 H new ATOM 548 N TYR A 41 -4.139 -9.285 2.199 1.00 0.00 N ATOM 549 CA TYR A 41 -5.176 -8.268 2.184 1.00 0.00 C ATOM 550 C TYR A 41 -6.278 -8.624 1.183 1.00 0.00 C ATOM 551 O TYR A 41 -7.445 -8.302 1.399 1.00 0.00 O ATOM 552 CB TYR A 41 -4.494 -6.975 1.734 1.00 0.00 C ATOM 553 CG TYR A 41 -5.437 -5.774 1.639 1.00 0.00 C ATOM 554 CD1 TYR A 41 -6.231 -5.607 0.523 1.00 0.00 C ATOM 555 CD2 TYR A 41 -5.493 -4.858 2.670 1.00 0.00 C ATOM 556 CE1 TYR A 41 -7.118 -4.476 0.434 1.00 0.00 C ATOM 557 CE2 TYR A 41 -6.380 -3.728 2.580 1.00 0.00 C ATOM 558 CZ TYR A 41 -7.149 -3.592 1.467 1.00 0.00 C ATOM 559 OH TYR A 41 -7.987 -2.525 1.382 1.00 0.00 O ATOM 0 H TYR A 41 -3.409 -9.160 1.498 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.637 -8.176 3.167 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.690 -6.739 2.431 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.033 -7.140 0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.187 -6.324 -0.283 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.872 -4.989 3.544 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.745 -4.333 -0.434 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.434 -3.004 3.379 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.905 -1.979 2.192 1.00 0.00 H new ATOM 569 N LYS A 42 -5.867 -9.284 0.110 1.00 0.00 N ATOM 570 CA LYS A 42 -6.805 -9.687 -0.925 1.00 0.00 C ATOM 571 C LYS A 42 -6.519 -11.135 -1.329 1.00 0.00 C ATOM 572 O LYS A 42 -5.385 -11.480 -1.655 1.00 0.00 O ATOM 573 CB LYS A 42 -6.766 -8.703 -2.095 1.00 0.00 C ATOM 574 CG LYS A 42 -7.930 -7.712 -2.017 1.00 0.00 C ATOM 575 CD LYS A 42 -7.674 -6.494 -2.906 1.00 0.00 C ATOM 576 CE LYS A 42 -8.596 -6.502 -4.127 1.00 0.00 C ATOM 577 NZ LYS A 42 -8.688 -5.147 -4.716 1.00 0.00 N ATOM 0 H LYS A 42 -4.898 -9.550 -0.065 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.827 -9.657 -0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.821 -8.160 -2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.812 -9.250 -3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.852 -8.204 -2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.070 -7.390 -0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.833 -5.581 -2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.634 -6.489 -3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.218 -7.203 -4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.589 -6.848 -3.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.317 -5.170 -5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.070 -4.486 -4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.742 -4.831 -5.010 1.00 0.00 H new ATOM 591 N GLY A 43 -7.569 -11.943 -1.294 1.00 0.00 N ATOM 592 CA GLY A 43 -7.445 -13.346 -1.653 1.00 0.00 C ATOM 593 C GLY A 43 -6.204 -13.968 -1.012 1.00 0.00 C ATOM 594 O GLY A 43 -5.790 -13.561 0.073 1.00 0.00 O ATOM 0 H GLY A 43 -8.509 -11.653 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.335 -13.887 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.387 -13.444 -2.737 1.00 0.00 H new ATOM 598 N ASP A 44 -5.644 -14.946 -1.710 1.00 0.00 N ATOM 599 CA ASP A 44 -4.458 -15.629 -1.222 1.00 0.00 C ATOM 600 C ASP A 44 -3.232 -15.119 -1.983 1.00 0.00 C ATOM 601 O ASP A 44 -2.591 -15.875 -2.712 1.00 0.00 O ATOM 602 CB ASP A 44 -4.560 -17.139 -1.447 1.00 0.00 C ATOM 603 CG ASP A 44 -5.214 -17.553 -2.767 1.00 0.00 C ATOM 604 OD1 ASP A 44 -5.443 -16.646 -3.596 1.00 0.00 O ATOM 605 OD2 ASP A 44 -5.469 -18.767 -2.917 1.00 0.00 O ATOM 0 H ASP A 44 -5.990 -15.281 -2.609 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.369 -15.429 -0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.558 -17.566 -1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.127 -17.576 -0.625 1.00 0.00 H new ATOM 610 N ASP A 45 -2.942 -13.841 -1.787 1.00 0.00 N ATOM 611 CA ASP A 45 -1.805 -13.222 -2.445 1.00 0.00 C ATOM 612 C ASP A 45 -0.913 -12.556 -1.395 1.00 0.00 C ATOM 613 O ASP A 45 -1.378 -11.720 -0.621 1.00 0.00 O ATOM 614 CB ASP A 45 -2.259 -12.144 -3.431 1.00 0.00 C ATOM 615 CG ASP A 45 -2.774 -12.671 -4.772 1.00 0.00 C ATOM 616 OD1 ASP A 45 -3.995 -12.922 -4.852 1.00 0.00 O ATOM 617 OD2 ASP A 45 -1.934 -12.810 -5.688 1.00 0.00 O ATOM 0 H ASP A 45 -3.476 -13.217 -1.181 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.264 -14.000 -2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.046 -11.553 -2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.424 -11.470 -3.619 1.00 0.00 H new ATOM 622 N GLU A 46 0.351 -12.952 -1.401 1.00 0.00 N ATOM 623 CA GLU A 46 1.312 -12.404 -0.459 1.00 0.00 C ATOM 624 C GLU A 46 1.927 -11.118 -1.015 1.00 0.00 C ATOM 625 O GLU A 46 3.148 -10.971 -1.040 1.00 0.00 O ATOM 626 CB GLU A 46 2.396 -13.430 -0.122 1.00 0.00 C ATOM 627 CG GLU A 46 3.071 -13.951 -1.393 1.00 0.00 C ATOM 628 CD GLU A 46 2.815 -15.449 -1.575 1.00 0.00 C ATOM 629 OE1 GLU A 46 2.861 -16.161 -0.548 1.00 0.00 O ATOM 630 OE2 GLU A 46 2.578 -15.847 -2.736 1.00 0.00 O ATOM 0 H GLU A 46 0.732 -13.646 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 46 0.788 -12.162 0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.142 -12.976 0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.956 -14.262 0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.694 -13.406 -2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.144 -13.765 -1.342 1.00 0.00 H new ATOM 637 N GLY A 47 1.053 -10.221 -1.447 1.00 0.00 N ATOM 638 CA GLY A 47 1.495 -8.952 -2.001 1.00 0.00 C ATOM 639 C GLY A 47 1.332 -7.822 -0.982 1.00 0.00 C ATOM 640 O GLY A 47 0.648 -7.986 0.027 1.00 0.00 O ATOM 0 H GLY A 47 0.041 -10.347 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.540 -9.027 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.920 -8.723 -2.898 1.00 0.00 H new ATOM 644 N ILE A 48 1.971 -6.701 -1.282 1.00 0.00 N ATOM 645 CA ILE A 48 1.905 -5.544 -0.405 1.00 0.00 C ATOM 646 C ILE A 48 0.815 -4.593 -0.905 1.00 0.00 C ATOM 647 O ILE A 48 0.952 -3.992 -1.969 1.00 0.00 O ATOM 648 CB ILE A 48 3.282 -4.890 -0.277 1.00 0.00 C ATOM 649 CG1 ILE A 48 4.238 -5.776 0.523 1.00 0.00 C ATOM 650 CG2 ILE A 48 3.168 -3.485 0.319 1.00 0.00 C ATOM 651 CD1 ILE A 48 3.733 -5.977 1.953 1.00 0.00 C ATOM 0 H ILE A 48 2.537 -6.569 -2.120 1.00 0.00 H new ATOM 0 HA ILE A 48 1.627 -5.846 0.605 1.00 0.00 H new ATOM 0 HB ILE A 48 3.703 -4.783 -1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.341 -6.743 0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.229 -5.322 0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.161 -3.042 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.545 -2.865 -0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.716 -3.545 1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.431 -6.611 2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.654 -5.010 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.753 -6.454 1.929 1.00 0.00 H new ATOM 663 N PHE A 49 -0.241 -4.486 -0.112 1.00 0.00 N ATOM 664 CA PHE A 49 -1.353 -3.618 -0.461 1.00 0.00 C ATOM 665 C PHE A 49 -1.505 -2.486 0.558 1.00 0.00 C ATOM 666 O PHE A 49 -1.110 -2.630 1.714 1.00 0.00 O ATOM 667 CB PHE A 49 -2.617 -4.480 -0.439 1.00 0.00 C ATOM 668 CG PHE A 49 -2.696 -5.498 -1.579 1.00 0.00 C ATOM 669 CD1 PHE A 49 -1.744 -6.462 -1.696 1.00 0.00 C ATOM 670 CD2 PHE A 49 -3.717 -5.438 -2.475 1.00 0.00 C ATOM 671 CE1 PHE A 49 -1.817 -7.407 -2.754 1.00 0.00 C ATOM 672 CE2 PHE A 49 -3.790 -6.383 -3.533 1.00 0.00 C ATOM 673 CZ PHE A 49 -2.838 -7.347 -3.650 1.00 0.00 C ATOM 0 H PHE A 49 -0.350 -4.986 0.771 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.183 -3.170 -1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.666 -5.010 0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.490 -3.829 -0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.933 -6.509 -0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.472 -4.672 -2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.062 -8.173 -2.847 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.601 -6.336 -4.244 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.893 -8.065 -4.455 1.00 0.00 H new ATOM 683 N ILE A 50 -2.078 -1.387 0.091 1.00 0.00 N ATOM 684 CA ILE A 50 -2.286 -0.231 0.946 1.00 0.00 C ATOM 685 C ILE A 50 -3.349 -0.563 1.995 1.00 0.00 C ATOM 686 O ILE A 50 -4.445 -1.007 1.655 1.00 0.00 O ATOM 687 CB ILE A 50 -2.616 1.005 0.106 1.00 0.00 C ATOM 688 CG1 ILE A 50 -1.509 1.288 -0.911 1.00 0.00 C ATOM 689 CG2 ILE A 50 -2.898 2.215 0.999 1.00 0.00 C ATOM 690 CD1 ILE A 50 -0.127 1.086 -0.288 1.00 0.00 C ATOM 0 H ILE A 50 -2.405 -1.272 -0.868 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.371 0.014 1.485 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.526 0.802 -0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.624 0.629 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.600 2.310 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.130 3.080 0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.746 1.998 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.020 2.431 1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.642 1.294 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.006 1.764 0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.030 0.056 0.056 1.00 0.00 H new ATOM 702 N SER A 51 -2.988 -0.336 3.250 1.00 0.00 N ATOM 703 CA SER A 51 -3.898 -0.606 4.350 1.00 0.00 C ATOM 704 C SER A 51 -4.570 0.691 4.804 1.00 0.00 C ATOM 705 O SER A 51 -5.703 0.673 5.281 1.00 0.00 O ATOM 706 CB SER A 51 -3.164 -1.262 5.522 1.00 0.00 C ATOM 707 OG SER A 51 -3.473 -0.635 6.764 1.00 0.00 O ATOM 0 H SER A 51 -2.078 0.032 3.529 1.00 0.00 H new ATOM 0 HA SER A 51 -4.662 -1.300 4.000 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.432 -2.317 5.572 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.089 -1.214 5.349 1.00 0.00 H new ATOM 0 HG SER A 51 -2.986 -1.084 7.487 1.00 0.00 H new ATOM 713 N ARG A 52 -3.842 1.786 4.640 1.00 0.00 N ATOM 714 CA ARG A 52 -4.354 3.090 5.026 1.00 0.00 C ATOM 715 C ARG A 52 -3.706 4.187 4.179 1.00 0.00 C ATOM 716 O ARG A 52 -2.607 4.005 3.657 1.00 0.00 O ATOM 717 CB ARG A 52 -4.083 3.371 6.506 1.00 0.00 C ATOM 718 CG ARG A 52 -5.303 4.006 7.175 1.00 0.00 C ATOM 719 CD ARG A 52 -5.340 3.682 8.670 1.00 0.00 C ATOM 720 NE ARG A 52 -6.144 2.462 8.903 1.00 0.00 N ATOM 721 CZ ARG A 52 -6.389 1.944 10.115 1.00 0.00 C ATOM 722 NH1 ARG A 52 -5.893 2.536 11.209 1.00 0.00 N ATOM 723 NH2 ARG A 52 -7.129 0.833 10.231 1.00 0.00 N ATOM 0 H ARG A 52 -2.902 1.797 4.245 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.431 3.086 4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.827 2.442 7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.224 4.035 6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.278 5.087 7.034 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.214 3.643 6.698 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.327 3.537 9.044 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.767 4.520 9.222 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.536 1.985 8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.329 3.381 11.120 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.079 2.142 12.131 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.506 0.382 9.397 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.316 0.439 11.153 1.00 0.00 H new ATOM 737 N VAL A 53 -4.414 5.301 4.069 1.00 0.00 N ATOM 738 CA VAL A 53 -3.922 6.427 3.294 1.00 0.00 C ATOM 739 C VAL A 53 -4.210 7.726 4.051 1.00 0.00 C ATOM 740 O VAL A 53 -5.305 8.277 3.950 1.00 0.00 O ATOM 741 CB VAL A 53 -4.532 6.404 1.892 1.00 0.00 C ATOM 742 CG1 VAL A 53 -4.473 7.790 1.245 1.00 0.00 C ATOM 743 CG2 VAL A 53 -3.844 5.359 1.011 1.00 0.00 C ATOM 0 H VAL A 53 -5.325 5.448 4.504 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.842 6.359 3.164 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.581 6.123 1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.913 7.746 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.029 8.501 1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.434 8.112 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.297 5.364 0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.783 5.596 0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.961 4.372 1.459 1.00 0.00 H new ATOM 753 N SER A 54 -3.208 8.177 4.791 1.00 0.00 N ATOM 754 CA SER A 54 -3.340 9.401 5.563 1.00 0.00 C ATOM 755 C SER A 54 -3.983 10.493 4.707 1.00 0.00 C ATOM 756 O SER A 54 -3.348 11.031 3.801 1.00 0.00 O ATOM 757 CB SER A 54 -1.982 9.869 6.090 1.00 0.00 C ATOM 758 OG SER A 54 -1.421 8.944 7.018 1.00 0.00 O ATOM 0 H SER A 54 -2.301 7.717 4.872 1.00 0.00 H new ATOM 0 HA SER A 54 -3.981 9.197 6.421 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.296 10.005 5.254 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.095 10.841 6.570 1.00 0.00 H new ATOM 0 HG SER A 54 -0.554 9.278 7.330 1.00 0.00 H new ATOM 764 N GLU A 55 -5.235 10.790 5.025 1.00 0.00 N ATOM 765 CA GLU A 55 -5.971 11.809 4.296 1.00 0.00 C ATOM 766 C GLU A 55 -5.174 13.115 4.260 1.00 0.00 C ATOM 767 O GLU A 55 -5.070 13.753 3.214 1.00 0.00 O ATOM 768 CB GLU A 55 -7.356 12.028 4.907 1.00 0.00 C ATOM 769 CG GLU A 55 -8.455 11.515 3.974 1.00 0.00 C ATOM 770 CD GLU A 55 -9.276 12.674 3.405 1.00 0.00 C ATOM 771 OE1 GLU A 55 -10.099 13.217 4.173 1.00 0.00 O ATOM 772 OE2 GLU A 55 -9.061 12.990 2.215 1.00 0.00 O ATOM 0 H GLU A 55 -5.758 10.343 5.778 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.113 11.464 3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.419 11.514 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.507 13.089 5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.008 10.946 3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.109 10.833 4.517 1.00 0.00 H new ATOM 779 N GLU A 56 -4.633 13.473 5.415 1.00 0.00 N ATOM 780 CA GLU A 56 -3.850 14.691 5.529 1.00 0.00 C ATOM 781 C GLU A 56 -2.356 14.372 5.437 1.00 0.00 C ATOM 782 O GLU A 56 -1.542 14.996 6.115 1.00 0.00 O ATOM 783 CB GLU A 56 -4.173 15.432 6.828 1.00 0.00 C ATOM 784 CG GLU A 56 -5.299 16.446 6.614 1.00 0.00 C ATOM 785 CD GLU A 56 -6.177 16.561 7.862 1.00 0.00 C ATOM 786 OE1 GLU A 56 -5.592 16.717 8.955 1.00 0.00 O ATOM 787 OE2 GLU A 56 -7.414 16.490 7.694 1.00 0.00 O ATOM 0 H GLU A 56 -4.722 12.940 6.280 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.114 15.348 4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.464 14.716 7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.282 15.944 7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.875 17.421 6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.909 16.144 5.763 1.00 0.00 H new ATOM 794 N GLY A 57 -2.042 13.401 4.592 1.00 0.00 N ATOM 795 CA GLY A 57 -0.661 12.992 4.403 1.00 0.00 C ATOM 796 C GLY A 57 -0.160 13.379 3.010 1.00 0.00 C ATOM 797 O GLY A 57 -0.905 13.948 2.215 1.00 0.00 O ATOM 0 H GLY A 57 -2.720 12.886 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.033 13.458 5.162 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.576 11.914 4.537 1.00 0.00 H new ATOM 801 N PRO A 58 1.133 13.045 2.750 1.00 0.00 N ATOM 802 CA PRO A 58 1.742 13.351 1.467 1.00 0.00 C ATOM 803 C PRO A 58 1.241 12.397 0.381 1.00 0.00 C ATOM 804 O PRO A 58 1.069 12.796 -0.770 1.00 0.00 O ATOM 805 CB PRO A 58 3.239 13.245 1.707 1.00 0.00 C ATOM 806 CG PRO A 58 3.400 12.434 2.983 1.00 0.00 C ATOM 807 CD PRO A 58 2.045 12.369 3.668 1.00 0.00 C ATOM 0 HA PRO A 58 1.480 14.344 1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.735 12.757 0.868 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.689 14.232 1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.761 11.431 2.755 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.138 12.897 3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.739 11.338 3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.068 12.864 4.639 1.00 0.00 H new ATOM 815 N ALA A 59 1.021 11.154 0.785 1.00 0.00 N ATOM 816 CA ALA A 59 0.544 10.140 -0.140 1.00 0.00 C ATOM 817 C ALA A 59 -0.782 10.598 -0.752 1.00 0.00 C ATOM 818 O ALA A 59 -0.910 10.682 -1.972 1.00 0.00 O ATOM 819 CB ALA A 59 0.418 8.802 0.591 1.00 0.00 C ATOM 0 H ALA A 59 1.164 10.826 1.740 1.00 0.00 H new ATOM 0 HA ALA A 59 1.253 10.000 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.060 8.041 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.392 8.508 0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.288 8.903 1.415 1.00 0.00 H new ATOM 825 N ALA A 60 -1.735 10.881 0.124 1.00 0.00 N ATOM 826 CA ALA A 60 -3.046 11.327 -0.314 1.00 0.00 C ATOM 827 C ALA A 60 -2.882 12.336 -1.454 1.00 0.00 C ATOM 828 O ALA A 60 -3.574 12.251 -2.466 1.00 0.00 O ATOM 829 CB ALA A 60 -3.811 11.911 0.875 1.00 0.00 C ATOM 0 H ALA A 60 -1.625 10.810 1.136 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.628 10.489 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.795 12.246 0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.926 11.147 1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.258 12.757 1.283 1.00 0.00 H new ATOM 835 N ARG A 61 -1.961 13.266 -1.250 1.00 0.00 N ATOM 836 CA ARG A 61 -1.697 14.289 -2.247 1.00 0.00 C ATOM 837 C ARG A 61 -1.248 13.646 -3.561 1.00 0.00 C ATOM 838 O ARG A 61 -1.765 13.978 -4.627 1.00 0.00 O ATOM 839 CB ARG A 61 -0.616 15.260 -1.767 1.00 0.00 C ATOM 840 CG ARG A 61 -1.029 15.938 -0.460 1.00 0.00 C ATOM 841 CD ARG A 61 -0.379 17.317 -0.328 1.00 0.00 C ATOM 842 NE ARG A 61 -1.412 18.339 -0.050 1.00 0.00 N ATOM 843 CZ ARG A 61 -2.219 18.864 -0.982 1.00 0.00 C ATOM 844 NH1 ARG A 61 -2.117 18.466 -2.258 1.00 0.00 N ATOM 845 NH2 ARG A 61 -3.128 19.786 -0.639 1.00 0.00 N ATOM 0 H ARG A 61 -1.388 13.332 -0.409 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.622 14.843 -2.407 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.321 14.723 -1.622 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.436 16.016 -2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.114 16.039 -0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.740 15.313 0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.358 17.305 0.475 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.153 17.567 -1.246 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.516 18.664 0.911 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.425 17.764 -2.519 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.731 18.866 -2.968 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.206 20.089 0.332 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.742 20.185 -1.349 1.00 0.00 H new ATOM 859 N ALA A 62 -0.291 12.738 -3.442 1.00 0.00 N ATOM 860 CA ALA A 62 0.232 12.045 -4.607 1.00 0.00 C ATOM 861 C ALA A 62 -0.931 11.487 -5.429 1.00 0.00 C ATOM 862 O ALA A 62 -0.892 11.503 -6.658 1.00 0.00 O ATOM 863 CB ALA A 62 1.206 10.954 -4.158 1.00 0.00 C ATOM 0 H ALA A 62 0.136 12.466 -2.557 1.00 0.00 H new ATOM 0 HA ALA A 62 0.786 12.733 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.598 10.434 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.029 11.406 -3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.685 10.243 -3.516 1.00 0.00 H new ATOM 869 N GLY A 63 -1.939 11.005 -4.716 1.00 0.00 N ATOM 870 CA GLY A 63 -3.112 10.443 -5.364 1.00 0.00 C ATOM 871 C GLY A 63 -3.193 8.932 -5.135 1.00 0.00 C ATOM 872 O GLY A 63 -3.693 8.197 -5.985 1.00 0.00 O ATOM 0 H GLY A 63 -1.967 10.992 -3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.011 10.922 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.076 10.651 -6.433 1.00 0.00 H new ATOM 876 N VAL A 64 -2.694 8.514 -3.981 1.00 0.00 N ATOM 877 CA VAL A 64 -2.704 7.104 -3.629 1.00 0.00 C ATOM 878 C VAL A 64 -4.111 6.705 -3.178 1.00 0.00 C ATOM 879 O VAL A 64 -4.894 7.553 -2.752 1.00 0.00 O ATOM 880 CB VAL A 64 -1.635 6.821 -2.571 1.00 0.00 C ATOM 881 CG1 VAL A 64 -2.042 7.397 -1.213 1.00 0.00 C ATOM 882 CG2 VAL A 64 -1.349 5.322 -2.468 1.00 0.00 C ATOM 0 H VAL A 64 -2.280 9.126 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.455 6.492 -4.496 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.715 7.316 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.265 7.182 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.171 8.476 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.980 6.944 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.586 5.148 -1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.262 4.796 -2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.995 4.952 -3.430 1.00 0.00 H new ATOM 892 N ARG A 65 -4.389 5.414 -3.288 1.00 0.00 N ATOM 893 CA ARG A 65 -5.688 4.893 -2.898 1.00 0.00 C ATOM 894 C ARG A 65 -5.527 3.556 -2.171 1.00 0.00 C ATOM 895 O ARG A 65 -4.786 2.685 -2.624 1.00 0.00 O ATOM 896 CB ARG A 65 -6.592 4.697 -4.117 1.00 0.00 C ATOM 897 CG ARG A 65 -6.891 6.034 -4.798 1.00 0.00 C ATOM 898 CD ARG A 65 -7.766 5.835 -6.037 1.00 0.00 C ATOM 899 NE ARG A 65 -7.844 7.094 -6.810 1.00 0.00 N ATOM 900 CZ ARG A 65 -8.418 7.201 -8.016 1.00 0.00 C ATOM 901 NH1 ARG A 65 -8.966 6.125 -8.595 1.00 0.00 N ATOM 902 NH2 ARG A 65 -8.442 8.385 -8.644 1.00 0.00 N ATOM 0 H ARG A 65 -3.737 4.714 -3.641 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.150 5.620 -2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.111 4.023 -4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.525 4.224 -3.810 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.394 6.699 -4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.957 6.518 -5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.353 5.041 -6.660 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.766 5.519 -5.739 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.435 7.933 -6.399 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.947 5.224 -8.118 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.403 6.207 -9.513 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.023 9.204 -8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.879 8.467 -9.562 1.00 0.00 H new ATOM 916 N VAL A 66 -6.232 3.436 -1.056 1.00 0.00 N ATOM 917 CA VAL A 66 -6.176 2.220 -0.263 1.00 0.00 C ATOM 918 C VAL A 66 -6.632 1.036 -1.118 1.00 0.00 C ATOM 919 O VAL A 66 -7.563 1.162 -1.913 1.00 0.00 O ATOM 920 CB VAL A 66 -7.004 2.389 1.013 1.00 0.00 C ATOM 921 CG1 VAL A 66 -7.072 1.079 1.800 1.00 0.00 C ATOM 922 CG2 VAL A 66 -6.450 3.522 1.880 1.00 0.00 C ATOM 0 H VAL A 66 -6.845 4.161 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.153 2.018 0.053 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.019 2.657 0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.666 1.227 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.534 0.308 1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.065 0.768 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.056 3.621 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.421 3.297 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.478 4.456 1.319 1.00 0.00 H new ATOM 932 N GLY A 67 -5.955 -0.086 -0.927 1.00 0.00 N ATOM 933 CA GLY A 67 -6.278 -1.291 -1.672 1.00 0.00 C ATOM 934 C GLY A 67 -5.330 -1.474 -2.858 1.00 0.00 C ATOM 935 O GLY A 67 -5.372 -2.498 -3.539 1.00 0.00 O ATOM 0 H GLY A 67 -5.184 -0.186 -0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.214 -2.158 -1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.306 -1.237 -2.029 1.00 0.00 H new ATOM 939 N ASP A 68 -4.497 -0.466 -3.070 1.00 0.00 N ATOM 940 CA ASP A 68 -3.540 -0.502 -4.163 1.00 0.00 C ATOM 941 C ASP A 68 -2.485 -1.572 -3.875 1.00 0.00 C ATOM 942 O ASP A 68 -1.957 -1.647 -2.767 1.00 0.00 O ATOM 943 CB ASP A 68 -2.823 0.841 -4.312 1.00 0.00 C ATOM 944 CG ASP A 68 -3.092 1.575 -5.626 1.00 0.00 C ATOM 945 OD1 ASP A 68 -3.199 0.875 -6.656 1.00 0.00 O ATOM 946 OD2 ASP A 68 -3.184 2.821 -5.572 1.00 0.00 O ATOM 0 H ASP A 68 -4.465 0.381 -2.503 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.084 -0.723 -5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.118 1.487 -3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.750 0.675 -4.219 1.00 0.00 H new ATOM 951 N LYS A 69 -2.210 -2.375 -4.893 1.00 0.00 N ATOM 952 CA LYS A 69 -1.227 -3.438 -4.763 1.00 0.00 C ATOM 953 C LYS A 69 0.147 -2.910 -5.181 1.00 0.00 C ATOM 954 O LYS A 69 0.403 -2.705 -6.367 1.00 0.00 O ATOM 955 CB LYS A 69 -1.673 -4.677 -5.542 1.00 0.00 C ATOM 956 CG LYS A 69 -0.557 -5.723 -5.593 1.00 0.00 C ATOM 957 CD LYS A 69 -0.855 -6.792 -6.646 1.00 0.00 C ATOM 958 CE LYS A 69 0.028 -8.024 -6.442 1.00 0.00 C ATOM 959 NZ LYS A 69 1.410 -7.753 -6.898 1.00 0.00 N ATOM 0 H LYS A 69 -2.650 -2.311 -5.811 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.144 -3.756 -3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.558 -5.107 -5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.956 -4.392 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.392 -5.237 -5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.448 -6.191 -4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.905 -7.080 -6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.689 -6.382 -7.642 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.035 -8.303 -5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.384 -8.869 -6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.996 -8.600 -6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.400 -7.508 -7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.806 -6.960 -6.354 1.00 0.00 H new ATOM 973 N LEU A 70 0.995 -2.705 -4.184 1.00 0.00 N ATOM 974 CA LEU A 70 2.336 -2.205 -4.434 1.00 0.00 C ATOM 975 C LEU A 70 3.122 -3.244 -5.235 1.00 0.00 C ATOM 976 O LEU A 70 3.103 -4.430 -4.909 1.00 0.00 O ATOM 977 CB LEU A 70 3.010 -1.802 -3.121 1.00 0.00 C ATOM 978 CG LEU A 70 3.678 -0.426 -3.104 1.00 0.00 C ATOM 979 CD1 LEU A 70 4.637 -0.267 -4.286 1.00 0.00 C ATOM 980 CD2 LEU A 70 2.633 0.691 -3.061 1.00 0.00 C ATOM 0 H LEU A 70 0.780 -2.876 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 70 2.298 -1.298 -5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.262 -1.831 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.762 -2.552 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 70 4.272 -0.347 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.098 0.720 -4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.412 -1.032 -4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.085 -0.376 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.135 1.659 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.993 0.625 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.026 0.587 -2.162 1.00 0.00 H new ATOM 992 N LEU A 71 3.795 -2.761 -6.270 1.00 0.00 N ATOM 993 CA LEU A 71 4.587 -3.634 -7.120 1.00 0.00 C ATOM 994 C LEU A 71 6.066 -3.269 -6.982 1.00 0.00 C ATOM 995 O LEU A 71 6.924 -4.149 -6.929 1.00 0.00 O ATOM 996 CB LEU A 71 4.074 -3.586 -8.561 1.00 0.00 C ATOM 997 CG LEU A 71 2.557 -3.470 -8.730 1.00 0.00 C ATOM 998 CD1 LEU A 71 2.198 -2.991 -10.138 1.00 0.00 C ATOM 999 CD2 LEU A 71 1.863 -4.787 -8.377 1.00 0.00 C ATOM 0 H LEU A 71 3.808 -1.777 -6.539 1.00 0.00 H new ATOM 0 HA LEU A 71 4.484 -4.672 -6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.541 -2.739 -9.064 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.409 -4.487 -9.075 1.00 0.00 H new ATOM 0 HG LEU A 71 2.192 -2.718 -8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.115 -2.917 -10.232 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.645 -2.013 -10.315 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.578 -3.702 -10.872 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.786 -4.677 -8.506 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.228 -5.578 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.080 -5.046 -7.341 1.00 0.00 H new ATOM 1011 N GLU A 72 6.320 -1.970 -6.927 1.00 0.00 N ATOM 1012 CA GLU A 72 7.681 -1.478 -6.796 1.00 0.00 C ATOM 1013 C GLU A 72 7.711 -0.230 -5.912 1.00 0.00 C ATOM 1014 O GLU A 72 6.692 0.436 -5.737 1.00 0.00 O ATOM 1015 CB GLU A 72 8.295 -1.193 -8.168 1.00 0.00 C ATOM 1016 CG GLU A 72 9.353 -2.240 -8.523 1.00 0.00 C ATOM 1017 CD GLU A 72 8.735 -3.401 -9.304 1.00 0.00 C ATOM 1018 OE1 GLU A 72 7.503 -3.574 -9.184 1.00 0.00 O ATOM 1019 OE2 GLU A 72 9.509 -4.089 -10.004 1.00 0.00 O ATOM 0 H GLU A 72 5.606 -1.243 -6.971 1.00 0.00 H new ATOM 0 HA GLU A 72 8.282 -2.252 -6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.513 -1.189 -8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.745 -0.200 -8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.143 -1.778 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.817 -2.616 -7.612 1.00 0.00 H new ATOM 1026 N VAL A 73 8.891 0.050 -5.377 1.00 0.00 N ATOM 1027 CA VAL A 73 9.067 1.206 -4.516 1.00 0.00 C ATOM 1028 C VAL A 73 10.505 1.715 -4.640 1.00 0.00 C ATOM 1029 O VAL A 73 11.416 1.170 -4.019 1.00 0.00 O ATOM 1030 CB VAL A 73 8.681 0.851 -3.078 1.00 0.00 C ATOM 1031 CG1 VAL A 73 9.401 1.758 -2.078 1.00 0.00 C ATOM 1032 CG2 VAL A 73 7.164 0.918 -2.886 1.00 0.00 C ATOM 0 H VAL A 73 9.734 -0.505 -5.524 1.00 0.00 H new ATOM 0 HA VAL A 73 8.407 2.016 -4.825 1.00 0.00 H new ATOM 0 HB VAL A 73 8.998 -0.175 -2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.109 1.485 -1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.479 1.640 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.128 2.796 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.916 0.661 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.814 1.927 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.680 0.213 -3.562 1.00 0.00 H new ATOM 1042 N ASN A 74 10.663 2.754 -5.446 1.00 0.00 N ATOM 1043 CA ASN A 74 11.974 3.343 -5.660 1.00 0.00 C ATOM 1044 C ASN A 74 12.785 2.444 -6.595 1.00 0.00 C ATOM 1045 O ASN A 74 13.980 2.662 -6.790 1.00 0.00 O ATOM 1046 CB ASN A 74 12.742 3.470 -4.343 1.00 0.00 C ATOM 1047 CG ASN A 74 13.235 4.903 -4.132 1.00 0.00 C ATOM 1048 OD1 ASN A 74 14.371 5.245 -4.418 1.00 0.00 O ATOM 1049 ND2 ASN A 74 12.320 5.720 -3.617 1.00 0.00 N ATOM 0 H ASN A 74 9.905 3.204 -5.959 1.00 0.00 H new ATOM 0 HA ASN A 74 11.833 4.334 -6.092 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.099 3.177 -3.513 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.591 2.786 -4.345 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.551 6.697 -3.439 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.387 5.369 -3.400 1.00 0.00 H new ATOM 1056 N GLY A 75 12.104 1.452 -7.150 1.00 0.00 N ATOM 1057 CA GLY A 75 12.746 0.519 -8.060 1.00 0.00 C ATOM 1058 C GLY A 75 12.798 -0.886 -7.458 1.00 0.00 C ATOM 1059 O GLY A 75 12.940 -1.871 -8.182 1.00 0.00 O ATOM 0 H GLY A 75 11.113 1.274 -6.987 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.202 0.494 -9.004 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.757 0.860 -8.283 1.00 0.00 H new ATOM 1063 N VAL A 76 12.681 -0.935 -6.139 1.00 0.00 N ATOM 1064 CA VAL A 76 12.713 -2.204 -5.431 1.00 0.00 C ATOM 1065 C VAL A 76 11.390 -2.940 -5.653 1.00 0.00 C ATOM 1066 O VAL A 76 10.318 -2.359 -5.496 1.00 0.00 O ATOM 1067 CB VAL A 76 13.026 -1.970 -3.952 1.00 0.00 C ATOM 1068 CG1 VAL A 76 11.855 -1.283 -3.246 1.00 0.00 C ATOM 1069 CG2 VAL A 76 13.393 -3.282 -3.255 1.00 0.00 C ATOM 0 H VAL A 76 12.564 -0.116 -5.542 1.00 0.00 H new ATOM 0 HA VAL A 76 13.508 -2.839 -5.821 1.00 0.00 H new ATOM 0 HB VAL A 76 13.889 -1.307 -3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.103 -1.128 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.660 -0.320 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.967 -1.910 -3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.611 -3.088 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.559 -3.979 -3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.271 -3.715 -3.734 1.00 0.00 H new ATOM 1079 N ALA A 77 11.510 -4.209 -6.016 1.00 0.00 N ATOM 1080 CA ALA A 77 10.337 -5.031 -6.261 1.00 0.00 C ATOM 1081 C ALA A 77 9.728 -5.455 -4.923 1.00 0.00 C ATOM 1082 O ALA A 77 10.375 -6.141 -4.133 1.00 0.00 O ATOM 1083 CB ALA A 77 10.726 -6.228 -7.131 1.00 0.00 C ATOM 0 H ALA A 77 12.401 -4.688 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 77 9.579 -4.467 -6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.847 -6.845 -7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.125 -5.873 -8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.484 -6.820 -6.618 1.00 0.00 H new ATOM 1089 N LEU A 78 8.491 -5.030 -4.711 1.00 0.00 N ATOM 1090 CA LEU A 78 7.788 -5.358 -3.483 1.00 0.00 C ATOM 1091 C LEU A 78 6.897 -6.579 -3.720 1.00 0.00 C ATOM 1092 O LEU A 78 5.836 -6.705 -3.112 1.00 0.00 O ATOM 1093 CB LEU A 78 7.030 -4.137 -2.957 1.00 0.00 C ATOM 1094 CG LEU A 78 7.891 -3.006 -2.390 1.00 0.00 C ATOM 1095 CD1 LEU A 78 7.027 -1.962 -1.680 1.00 0.00 C ATOM 1096 CD2 LEU A 78 8.989 -3.558 -1.478 1.00 0.00 C ATOM 0 H LEU A 78 7.958 -4.461 -5.369 1.00 0.00 H new ATOM 0 HA LEU A 78 8.496 -5.627 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.423 -3.734 -3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.342 -4.468 -2.179 1.00 0.00 H new ATOM 0 HG LEU A 78 8.385 -2.503 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.664 -1.170 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.315 -1.537 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.486 -2.434 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.587 -2.734 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.535 -4.101 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.629 -4.233 -2.046 1.00 0.00 H new ATOM 1108 N GLN A 79 7.362 -7.447 -4.606 1.00 0.00 N ATOM 1109 CA GLN A 79 6.621 -8.654 -4.932 1.00 0.00 C ATOM 1110 C GLN A 79 7.087 -9.816 -4.053 1.00 0.00 C ATOM 1111 O GLN A 79 8.236 -10.244 -4.141 1.00 0.00 O ATOM 1112 CB GLN A 79 6.759 -8.999 -6.416 1.00 0.00 C ATOM 1113 CG GLN A 79 5.568 -8.467 -7.216 1.00 0.00 C ATOM 1114 CD GLN A 79 5.875 -8.456 -8.715 1.00 0.00 C ATOM 1115 OE1 GLN A 79 6.765 -7.768 -9.187 1.00 0.00 O ATOM 1116 NE2 GLN A 79 5.092 -9.255 -9.433 1.00 0.00 N ATOM 0 H GLN A 79 8.243 -7.339 -5.109 1.00 0.00 H new ATOM 0 HA GLN A 79 5.565 -8.473 -4.732 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.683 -8.574 -6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.829 -10.080 -6.537 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.692 -9.086 -7.025 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.324 -7.458 -6.884 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.365 -9.804 -8.974 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.218 -9.319 -10.443 1.00 0.00 H new ATOM 1125 N GLY A 80 6.170 -10.295 -3.225 1.00 0.00 N ATOM 1126 CA GLY A 80 6.472 -11.399 -2.331 1.00 0.00 C ATOM 1127 C GLY A 80 7.568 -11.014 -1.334 1.00 0.00 C ATOM 1128 O GLY A 80 8.378 -11.853 -0.942 1.00 0.00 O ATOM 0 H GLY A 80 5.217 -9.938 -3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.571 -11.692 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.791 -12.265 -2.911 1.00 0.00 H new ATOM 1132 N ALA A 81 7.557 -9.745 -0.954 1.00 0.00 N ATOM 1133 CA ALA A 81 8.540 -9.239 -0.011 1.00 0.00 C ATOM 1134 C ALA A 81 7.910 -9.159 1.382 1.00 0.00 C ATOM 1135 O ALA A 81 6.750 -8.776 1.522 1.00 0.00 O ATOM 1136 CB ALA A 81 9.059 -7.883 -0.494 1.00 0.00 C ATOM 0 H ALA A 81 6.884 -9.052 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 81 9.395 -9.913 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.796 -7.503 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.522 -7.999 -1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.229 -7.180 -0.565 1.00 0.00 H new ATOM 1142 N GLU A 82 8.704 -9.528 2.377 1.00 0.00 N ATOM 1143 CA GLU A 82 8.239 -9.503 3.753 1.00 0.00 C ATOM 1144 C GLU A 82 7.924 -8.069 4.182 1.00 0.00 C ATOM 1145 O GLU A 82 8.376 -7.115 3.549 1.00 0.00 O ATOM 1146 CB GLU A 82 9.266 -10.143 4.690 1.00 0.00 C ATOM 1147 CG GLU A 82 9.615 -11.561 4.235 1.00 0.00 C ATOM 1148 CD GLU A 82 10.896 -12.054 4.911 1.00 0.00 C ATOM 1149 OE1 GLU A 82 11.075 -11.718 6.101 1.00 0.00 O ATOM 1150 OE2 GLU A 82 11.667 -12.756 4.221 1.00 0.00 O ATOM 0 H GLU A 82 9.666 -9.846 2.257 1.00 0.00 H new ATOM 0 HA GLU A 82 7.322 -10.089 3.817 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.169 -9.533 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.870 -10.170 5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.792 -12.236 4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.741 -11.579 3.152 1.00 0.00 H new ATOM 1157 N HIS A 83 7.153 -7.961 5.253 1.00 0.00 N ATOM 1158 CA HIS A 83 6.772 -6.658 5.773 1.00 0.00 C ATOM 1159 C HIS A 83 8.012 -5.768 5.884 1.00 0.00 C ATOM 1160 O HIS A 83 8.044 -4.671 5.329 1.00 0.00 O ATOM 1161 CB HIS A 83 6.025 -6.801 7.101 1.00 0.00 C ATOM 1162 CG HIS A 83 4.969 -5.745 7.327 1.00 0.00 C ATOM 1163 ND1 HIS A 83 3.700 -5.824 6.780 1.00 0.00 N ATOM 1164 CD2 HIS A 83 5.007 -4.587 8.046 1.00 0.00 C ATOM 1165 CE1 HIS A 83 3.014 -4.756 7.160 1.00 0.00 C ATOM 1166 NE2 HIS A 83 3.826 -3.990 7.944 1.00 0.00 N ATOM 0 H HIS A 83 6.781 -8.754 5.776 1.00 0.00 H new ATOM 0 HA HIS A 83 6.080 -6.175 5.083 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.555 -7.784 7.138 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.746 -6.761 7.918 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.855 -4.218 8.604 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.991 -4.531 6.895 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.568 -3.105 8.380 1.00 0.00 H new ATOM 1174 N HIS A 84 9.002 -6.274 6.605 1.00 0.00 N ATOM 1175 CA HIS A 84 10.240 -5.539 6.795 1.00 0.00 C ATOM 1176 C HIS A 84 10.773 -5.071 5.440 1.00 0.00 C ATOM 1177 O HIS A 84 11.067 -3.890 5.258 1.00 0.00 O ATOM 1178 CB HIS A 84 11.256 -6.377 7.574 1.00 0.00 C ATOM 1179 CG HIS A 84 11.974 -7.407 6.735 1.00 0.00 C ATOM 1180 ND1 HIS A 84 13.193 -7.160 6.127 1.00 0.00 N ATOM 1181 CD2 HIS A 84 11.634 -8.687 6.411 1.00 0.00 C ATOM 1182 CE1 HIS A 84 13.559 -8.250 5.468 1.00 0.00 C ATOM 1183 NE2 HIS A 84 12.592 -9.195 5.645 1.00 0.00 N ATOM 0 H HIS A 84 8.971 -7.184 7.064 1.00 0.00 H new ATOM 0 HA HIS A 84 10.050 -4.651 7.398 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.993 -5.711 8.023 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.743 -6.883 8.392 1.00 0.00 H new ATOM 0 HD1 HIS A 84 13.720 -6.288 6.178 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.737 -9.201 6.724 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.465 -8.369 4.892 1.00 0.00 H new ATOM 1191 N GLU A 85 10.881 -6.021 4.522 1.00 0.00 N ATOM 1192 CA GLU A 85 11.374 -5.721 3.189 1.00 0.00 C ATOM 1193 C GLU A 85 10.653 -4.496 2.620 1.00 0.00 C ATOM 1194 O GLU A 85 11.294 -3.562 2.142 1.00 0.00 O ATOM 1195 CB GLU A 85 11.217 -6.928 2.262 1.00 0.00 C ATOM 1196 CG GLU A 85 12.254 -8.006 2.586 1.00 0.00 C ATOM 1197 CD GLU A 85 12.952 -8.495 1.315 1.00 0.00 C ATOM 1198 OE1 GLU A 85 13.199 -7.639 0.438 1.00 0.00 O ATOM 1199 OE2 GLU A 85 13.222 -9.714 1.249 1.00 0.00 O ATOM 0 H GLU A 85 10.635 -6.999 4.676 1.00 0.00 H new ATOM 0 HA GLU A 85 12.438 -5.493 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.214 -7.341 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.328 -6.612 1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.993 -7.607 3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.768 -8.845 3.084 1.00 0.00 H new ATOM 1206 N ALA A 86 9.331 -4.542 2.691 1.00 0.00 N ATOM 1207 CA ALA A 86 8.517 -3.448 2.189 1.00 0.00 C ATOM 1208 C ALA A 86 8.830 -2.178 2.984 1.00 0.00 C ATOM 1209 O ALA A 86 9.157 -1.144 2.405 1.00 0.00 O ATOM 1210 CB ALA A 86 7.039 -3.834 2.266 1.00 0.00 C ATOM 0 H ALA A 86 8.803 -5.319 3.088 1.00 0.00 H new ATOM 0 HA ALA A 86 8.748 -3.247 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.429 -3.013 1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.863 -4.724 1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.770 -4.040 3.302 1.00 0.00 H new ATOM 1216 N VAL A 87 8.719 -2.300 4.299 1.00 0.00 N ATOM 1217 CA VAL A 87 8.986 -1.175 5.179 1.00 0.00 C ATOM 1218 C VAL A 87 10.354 -0.580 4.839 1.00 0.00 C ATOM 1219 O VAL A 87 10.470 0.621 4.597 1.00 0.00 O ATOM 1220 CB VAL A 87 8.873 -1.616 6.640 1.00 0.00 C ATOM 1221 CG1 VAL A 87 9.377 -0.522 7.583 1.00 0.00 C ATOM 1222 CG2 VAL A 87 7.436 -2.015 6.982 1.00 0.00 C ATOM 0 H VAL A 87 8.448 -3.160 4.776 1.00 0.00 H new ATOM 0 HA VAL A 87 8.244 -0.390 5.031 1.00 0.00 H new ATOM 0 HB VAL A 87 9.506 -2.493 6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.286 -0.861 8.615 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.422 -0.305 7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.782 0.381 7.444 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.383 -2.324 8.026 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.774 -1.164 6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.126 -2.841 6.343 1.00 0.00 H new ATOM 1232 N GLU A 88 11.356 -1.447 4.831 1.00 0.00 N ATOM 1233 CA GLU A 88 12.711 -1.022 4.524 1.00 0.00 C ATOM 1234 C GLU A 88 12.717 -0.120 3.288 1.00 0.00 C ATOM 1235 O GLU A 88 13.245 0.990 3.328 1.00 0.00 O ATOM 1236 CB GLU A 88 13.632 -2.228 4.328 1.00 0.00 C ATOM 1237 CG GLU A 88 14.868 -2.125 5.224 1.00 0.00 C ATOM 1238 CD GLU A 88 16.009 -1.403 4.505 1.00 0.00 C ATOM 1239 OE1 GLU A 88 16.562 -2.012 3.564 1.00 0.00 O ATOM 1240 OE2 GLU A 88 16.302 -0.258 4.912 1.00 0.00 O ATOM 0 H GLU A 88 11.256 -2.442 5.032 1.00 0.00 H new ATOM 0 HA GLU A 88 13.092 -0.449 5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.089 -3.145 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.939 -2.290 3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.614 -1.590 6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.193 -3.123 5.518 1.00 0.00 H new ATOM 1247 N ALA A 89 12.125 -0.632 2.218 1.00 0.00 N ATOM 1248 CA ALA A 89 12.056 0.113 0.973 1.00 0.00 C ATOM 1249 C ALA A 89 11.350 1.448 1.221 1.00 0.00 C ATOM 1250 O ALA A 89 11.813 2.493 0.766 1.00 0.00 O ATOM 1251 CB ALA A 89 11.350 -0.732 -0.089 1.00 0.00 C ATOM 0 H ALA A 89 11.689 -1.554 2.188 1.00 0.00 H new ATOM 0 HA ALA A 89 13.057 0.334 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.298 -0.173 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.907 -1.655 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.341 -0.971 0.247 1.00 0.00 H new ATOM 1257 N LEU A 90 10.241 1.369 1.941 1.00 0.00 N ATOM 1258 CA LEU A 90 9.466 2.558 2.255 1.00 0.00 C ATOM 1259 C LEU A 90 10.356 3.561 2.992 1.00 0.00 C ATOM 1260 O LEU A 90 10.351 4.750 2.677 1.00 0.00 O ATOM 1261 CB LEU A 90 8.196 2.183 3.020 1.00 0.00 C ATOM 1262 CG LEU A 90 7.129 1.431 2.222 1.00 0.00 C ATOM 1263 CD1 LEU A 90 6.126 0.749 3.154 1.00 0.00 C ATOM 1264 CD2 LEU A 90 6.440 2.357 1.218 1.00 0.00 C ATOM 0 H LEU A 90 9.860 0.500 2.316 1.00 0.00 H new ATOM 0 HA LEU A 90 9.127 3.045 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.479 1.571 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.750 3.096 3.414 1.00 0.00 H new ATOM 0 HG LEU A 90 7.622 0.646 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.379 0.222 2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.649 0.038 3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.635 1.500 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.686 1.797 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.963 3.180 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.180 2.755 0.523 1.00 0.00 H new ATOM 1276 N ARG A 91 11.097 3.045 3.961 1.00 0.00 N ATOM 1277 CA ARG A 91 11.990 3.880 4.747 1.00 0.00 C ATOM 1278 C ARG A 91 13.222 4.261 3.923 1.00 0.00 C ATOM 1279 O ARG A 91 13.927 5.211 4.259 1.00 0.00 O ATOM 1280 CB ARG A 91 12.439 3.161 6.020 1.00 0.00 C ATOM 1281 CG ARG A 91 13.887 2.682 5.898 1.00 0.00 C ATOM 1282 CD ARG A 91 14.206 1.624 6.956 1.00 0.00 C ATOM 1283 NE ARG A 91 15.464 1.970 7.654 1.00 0.00 N ATOM 1284 CZ ARG A 91 15.601 3.015 8.482 1.00 0.00 C ATOM 1285 NH1 ARG A 91 14.559 3.823 8.720 1.00 0.00 N ATOM 1286 NH2 ARG A 91 16.781 3.252 9.072 1.00 0.00 N ATOM 0 H ARG A 91 11.098 2.058 4.220 1.00 0.00 H new ATOM 0 HA ARG A 91 11.442 4.780 5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 91 12.345 3.832 6.873 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.786 2.310 6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 91 14.054 2.269 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 91 14.564 3.529 6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.388 1.558 7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.298 0.645 6.487 1.00 0.00 H new ATOM 0 HE ARG A 91 16.278 1.376 7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.661 3.643 8.271 1.00 0.00 H new ATOM 0 HH12 ARG A 91 14.664 4.618 9.350 1.00 0.00 H new ATOM 0 HH21 ARG A 91 17.574 2.637 8.891 1.00 0.00 H new ATOM 0 HH22 ARG A 91 16.886 4.047 9.702 1.00 0.00 H new ATOM 1300 N GLY A 92 13.442 3.501 2.861 1.00 0.00 N ATOM 1301 CA GLY A 92 14.576 3.748 1.987 1.00 0.00 C ATOM 1302 C GLY A 92 14.128 4.397 0.676 1.00 0.00 C ATOM 1303 O GLY A 92 13.758 3.703 -0.270 1.00 0.00 O ATOM 0 H GLY A 92 12.854 2.714 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.293 4.396 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.088 2.809 1.776 1.00 0.00 H new ATOM 1307 N ALA A 93 14.175 5.721 0.662 1.00 0.00 N ATOM 1308 CA ALA A 93 13.778 6.471 -0.517 1.00 0.00 C ATOM 1309 C ALA A 93 13.956 7.967 -0.248 1.00 0.00 C ATOM 1310 O ALA A 93 13.559 8.463 0.805 1.00 0.00 O ATOM 1311 CB ALA A 93 12.338 6.113 -0.890 1.00 0.00 C ATOM 0 H ALA A 93 14.482 6.293 1.448 1.00 0.00 H new ATOM 0 HA ALA A 93 14.409 6.211 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.041 6.676 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.271 5.045 -1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.675 6.362 -0.062 1.00 0.00 H new ATOM 1317 N GLY A 94 14.553 8.644 -1.218 1.00 0.00 N ATOM 1318 CA GLY A 94 14.788 10.073 -1.099 1.00 0.00 C ATOM 1319 C GLY A 94 13.472 10.851 -1.155 1.00 0.00 C ATOM 1320 O GLY A 94 12.399 10.278 -0.972 1.00 0.00 O ATOM 0 H GLY A 94 14.881 8.229 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.300 10.284 -0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.446 10.405 -1.902 1.00 0.00 H new ATOM 1324 N THR A 95 13.597 12.145 -1.410 1.00 0.00 N ATOM 1325 CA THR A 95 12.431 13.008 -1.492 1.00 0.00 C ATOM 1326 C THR A 95 11.347 12.358 -2.353 1.00 0.00 C ATOM 1327 O THR A 95 10.410 11.758 -1.829 1.00 0.00 O ATOM 1328 CB THR A 95 12.888 14.371 -2.017 1.00 0.00 C ATOM 1329 OG1 THR A 95 13.627 14.930 -0.934 1.00 0.00 O ATOM 1330 CG2 THR A 95 11.723 15.343 -2.215 1.00 0.00 C ATOM 0 H THR A 95 14.488 12.617 -1.563 1.00 0.00 H new ATOM 0 HA THR A 95 11.978 13.156 -0.512 1.00 0.00 H new ATOM 0 HB THR A 95 13.414 14.238 -2.962 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.962 15.815 -1.189 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.102 16.294 -2.588 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.019 14.925 -2.935 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.217 15.503 -1.263 1.00 0.00 H new ATOM 1338 N ALA A 96 11.510 12.499 -3.661 1.00 0.00 N ATOM 1339 CA ALA A 96 10.556 11.933 -4.599 1.00 0.00 C ATOM 1340 C ALA A 96 10.541 10.411 -4.448 1.00 0.00 C ATOM 1341 O ALA A 96 11.464 9.730 -4.894 1.00 0.00 O ATOM 1342 CB ALA A 96 10.914 12.375 -6.020 1.00 0.00 C ATOM 0 H ALA A 96 12.289 12.997 -4.093 1.00 0.00 H new ATOM 0 HA ALA A 96 9.550 12.295 -4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.198 11.951 -6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.882 13.463 -6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.917 12.027 -6.268 1.00 0.00 H new ATOM 1348 N VAL A 97 9.483 9.921 -3.819 1.00 0.00 N ATOM 1349 CA VAL A 97 9.336 8.491 -3.604 1.00 0.00 C ATOM 1350 C VAL A 97 8.358 7.923 -4.635 1.00 0.00 C ATOM 1351 O VAL A 97 7.159 8.185 -4.568 1.00 0.00 O ATOM 1352 CB VAL A 97 8.907 8.221 -2.161 1.00 0.00 C ATOM 1353 CG1 VAL A 97 8.505 6.756 -1.973 1.00 0.00 C ATOM 1354 CG2 VAL A 97 10.010 8.617 -1.177 1.00 0.00 C ATOM 0 H VAL A 97 8.719 10.488 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 97 10.290 7.983 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 97 8.033 8.838 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.204 6.591 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.672 6.519 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.352 6.113 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.679 8.415 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 97 10.910 8.039 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.228 9.680 -1.283 1.00 0.00 H new ATOM 1364 N GLN A 98 8.909 7.155 -5.564 1.00 0.00 N ATOM 1365 CA GLN A 98 8.100 6.547 -6.607 1.00 0.00 C ATOM 1366 C GLN A 98 7.582 5.182 -6.150 1.00 0.00 C ATOM 1367 O GLN A 98 8.363 4.321 -5.748 1.00 0.00 O ATOM 1368 CB GLN A 98 8.890 6.425 -7.912 1.00 0.00 C ATOM 1369 CG GLN A 98 7.987 6.661 -9.124 1.00 0.00 C ATOM 1370 CD GLN A 98 8.708 6.298 -10.424 1.00 0.00 C ATOM 1371 OE1 GLN A 98 9.269 5.225 -10.574 1.00 0.00 O ATOM 1372 NE2 GLN A 98 8.662 7.249 -11.352 1.00 0.00 N ATOM 0 H GLN A 98 9.905 6.940 -5.616 1.00 0.00 H new ATOM 0 HA GLN A 98 7.243 7.193 -6.798 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.706 7.147 -7.916 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.341 5.435 -7.977 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.080 6.064 -9.028 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.679 7.706 -9.154 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.175 8.125 -11.161 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.114 7.103 -12.255 1.00 0.00 H new ATOM 1381 N MET A 99 6.268 5.028 -6.227 1.00 0.00 N ATOM 1382 CA MET A 99 5.637 3.782 -5.826 1.00 0.00 C ATOM 1383 C MET A 99 4.775 3.215 -6.957 1.00 0.00 C ATOM 1384 O MET A 99 3.783 3.826 -7.351 1.00 0.00 O ATOM 1385 CB MET A 99 4.765 4.025 -4.592 1.00 0.00 C ATOM 1386 CG MET A 99 5.627 4.226 -3.344 1.00 0.00 C ATOM 1387 SD MET A 99 4.888 3.388 -1.952 1.00 0.00 S ATOM 1388 CE MET A 99 4.033 4.755 -1.185 1.00 0.00 C ATOM 0 H MET A 99 5.624 5.745 -6.561 1.00 0.00 H new ATOM 0 HA MET A 99 6.419 3.059 -5.593 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.139 4.903 -4.752 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.095 3.178 -4.443 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.631 3.841 -3.520 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.727 5.290 -3.128 1.00 0.00 H new ATOM 0 HE1 MET A 99 3.961 4.583 -0.111 1.00 0.00 H new ATOM 0 HE2 MET A 99 4.584 5.678 -1.368 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.031 4.840 -1.607 1.00 0.00 H new ATOM 1398 N ARG A 100 5.186 2.055 -7.446 1.00 0.00 N ATOM 1399 CA ARG A 100 4.464 1.399 -8.523 1.00 0.00 C ATOM 1400 C ARG A 100 3.361 0.505 -7.955 1.00 0.00 C ATOM 1401 O ARG A 100 3.639 -0.574 -7.434 1.00 0.00 O ATOM 1402 CB ARG A 100 5.406 0.553 -9.382 1.00 0.00 C ATOM 1403 CG ARG A 100 4.798 0.284 -10.760 1.00 0.00 C ATOM 1404 CD ARG A 100 5.744 -0.555 -11.622 1.00 0.00 C ATOM 1405 NE ARG A 100 5.790 -0.011 -12.998 1.00 0.00 N ATOM 1406 CZ ARG A 100 6.630 -0.443 -13.949 1.00 0.00 C ATOM 1407 NH1 ARG A 100 7.498 -1.428 -13.678 1.00 0.00 N ATOM 1408 NH2 ARG A 100 6.602 0.109 -15.169 1.00 0.00 N ATOM 0 H ARG A 100 6.010 1.552 -7.116 1.00 0.00 H new ATOM 0 HA ARG A 100 4.021 2.175 -9.147 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.360 1.067 -9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.611 -0.393 -8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.846 -0.235 -10.647 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.587 1.230 -11.259 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.744 -0.553 -11.187 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.408 -1.592 -11.643 1.00 0.00 H new ATOM 0 HE ARG A 100 5.142 0.739 -13.237 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.519 -1.848 -12.749 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.138 -1.757 -14.401 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.941 0.858 -15.375 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.241 -0.220 -15.892 1.00 0.00 H new ATOM 1422 N VAL A 101 2.132 0.986 -8.075 1.00 0.00 N ATOM 1423 CA VAL A 101 0.986 0.243 -7.580 1.00 0.00 C ATOM 1424 C VAL A 101 0.249 -0.395 -8.759 1.00 0.00 C ATOM 1425 O VAL A 101 0.475 -0.025 -9.911 1.00 0.00 O ATOM 1426 CB VAL A 101 0.092 1.159 -6.741 1.00 0.00 C ATOM 1427 CG1 VAL A 101 0.864 1.745 -5.558 1.00 0.00 C ATOM 1428 CG2 VAL A 101 -0.518 2.267 -7.601 1.00 0.00 C ATOM 0 H VAL A 101 1.905 1.881 -8.508 1.00 0.00 H new ATOM 0 HA VAL A 101 1.309 -0.565 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.724 0.557 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.206 2.392 -4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.228 0.936 -4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.710 2.325 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.149 2.904 -6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.279 2.865 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.120 1.823 -8.394 1.00 0.00 H new ATOM 1438 N TRP A 102 -0.617 -1.342 -8.432 1.00 0.00 N ATOM 1439 CA TRP A 102 -1.389 -2.035 -9.450 1.00 0.00 C ATOM 1440 C TRP A 102 -2.870 -1.747 -9.198 1.00 0.00 C ATOM 1441 O TRP A 102 -3.377 -1.993 -8.104 1.00 0.00 O ATOM 1442 CB TRP A 102 -1.064 -3.530 -9.461 1.00 0.00 C ATOM 1443 CG TRP A 102 -1.592 -4.273 -10.690 1.00 0.00 C ATOM 1444 CD1 TRP A 102 -1.333 -4.022 -11.980 1.00 0.00 C ATOM 1445 CD2 TRP A 102 -2.487 -5.405 -10.691 1.00 0.00 C ATOM 1446 NE1 TRP A 102 -1.992 -4.906 -12.810 1.00 0.00 N ATOM 1447 CE2 TRP A 102 -2.716 -5.774 -12.001 1.00 0.00 C ATOM 1448 CE3 TRP A 102 -3.082 -6.096 -9.621 1.00 0.00 C ATOM 1449 CZ2 TRP A 102 -3.544 -6.844 -12.363 1.00 0.00 C ATOM 1450 CZ3 TRP A 102 -3.907 -7.162 -9.999 1.00 0.00 C ATOM 1451 CH2 TRP A 102 -4.148 -7.546 -11.313 1.00 0.00 C ATOM 0 H TRP A 102 -0.802 -1.646 -7.476 1.00 0.00 H new ATOM 0 HA TRP A 102 -1.129 -1.673 -10.445 1.00 0.00 H new ATOM 0 HB2 TRP A 102 0.017 -3.657 -9.410 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.482 -3.989 -8.565 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.689 -3.227 -12.327 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -1.955 -4.920 -13.829 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.916 -5.826 -8.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.708 -7.113 -13.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -4.390 -7.726 -9.215 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.798 -8.382 -11.523 1.00 0.00 H new ATOM 1462 N ARG A 103 -3.523 -1.230 -10.229 1.00 0.00 N ATOM 1463 CA ARG A 103 -4.936 -0.906 -10.133 1.00 0.00 C ATOM 1464 C ARG A 103 -5.572 -0.886 -11.524 1.00 0.00 C ATOM 1465 O ARG A 103 -4.872 -0.766 -12.529 1.00 0.00 O ATOM 1466 CB ARG A 103 -5.146 0.454 -9.465 1.00 0.00 C ATOM 1467 CG ARG A 103 -6.139 0.349 -8.306 1.00 0.00 C ATOM 1468 CD ARG A 103 -5.791 1.341 -7.194 1.00 0.00 C ATOM 1469 NE ARG A 103 -6.954 2.209 -6.908 1.00 0.00 N ATOM 1470 CZ ARG A 103 -8.153 1.755 -6.517 1.00 0.00 C ATOM 1471 NH1 ARG A 103 -8.353 0.439 -6.364 1.00 0.00 N ATOM 1472 NH2 ARG A 103 -9.151 2.617 -6.280 1.00 0.00 N ATOM 0 H ARG A 103 -3.099 -1.028 -11.135 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.411 -1.675 -9.523 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.192 0.834 -9.098 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.513 1.171 -10.199 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.148 0.543 -8.669 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.133 -0.666 -7.908 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.499 0.802 -6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.937 1.950 -7.492 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.836 3.216 -7.015 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.593 -0.217 -6.545 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.265 0.093 -6.066 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.998 3.619 -6.397 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.063 2.272 -5.982 1.00 0.00 H new ATOM 1486 N GLU A 104 -6.891 -1.006 -11.539 1.00 0.00 N ATOM 1487 CA GLU A 104 -7.629 -1.004 -12.791 1.00 0.00 C ATOM 1488 C GLU A 104 -7.999 0.427 -13.186 1.00 0.00 C ATOM 1489 O GLU A 104 -8.267 1.263 -12.324 1.00 0.00 O ATOM 1490 CB GLU A 104 -8.875 -1.886 -12.695 1.00 0.00 C ATOM 1491 CG GLU A 104 -9.294 -2.396 -14.075 1.00 0.00 C ATOM 1492 CD GLU A 104 -10.764 -2.076 -14.356 1.00 0.00 C ATOM 1493 OE1 GLU A 104 -11.608 -2.927 -14.000 1.00 0.00 O ATOM 1494 OE2 GLU A 104 -11.010 -0.988 -14.920 1.00 0.00 O ATOM 0 H GLU A 104 -7.468 -1.105 -10.704 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.989 -1.421 -13.568 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.677 -2.731 -12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.692 -1.319 -12.249 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.666 -1.940 -14.841 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.135 -3.473 -14.132 1.00 0.00 H new