USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=12 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= -0.181 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.214 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+ 170:sc=-0.000895 (180deg=-0.179) USER MOD Single : A 51 SER OG : rot 180:sc= -1.15 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -4.36 K(o=-4.4,f=-7.7!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 83 HIS : no HE2:sc= 1.09 K(o=1.1,f=-5.4!) USER MOD Single : A 84 HIS : no HD1:sc= -7! C(o=-7!,f=-5.6!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc=-0.00435 K(o=-0.0043,f=-0.7) USER MOD Single : A 99 MET CE :methyl -156:sc= -6.82! (180deg=-8.88!) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 13 -8.116 -6.631 -16.188 1.00 0.00 N ATOM 149 CA GLU A 13 -7.083 -6.790 -15.178 1.00 0.00 C ATOM 150 C GLU A 13 -6.428 -5.441 -14.872 1.00 0.00 C ATOM 151 O GLU A 13 -6.082 -4.694 -15.786 1.00 0.00 O ATOM 152 CB GLU A 13 -6.039 -7.818 -15.619 1.00 0.00 C ATOM 153 CG GLU A 13 -5.111 -7.235 -16.686 1.00 0.00 C ATOM 154 CD GLU A 13 -4.129 -8.292 -17.195 1.00 0.00 C ATOM 155 OE1 GLU A 13 -3.489 -8.934 -16.334 1.00 0.00 O ATOM 156 OE2 GLU A 13 -4.039 -8.434 -18.434 1.00 0.00 O ATOM 0 HA GLU A 13 -7.549 -7.162 -14.265 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.453 -8.138 -14.758 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.539 -8.704 -16.011 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.702 -6.852 -17.518 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.560 -6.391 -16.272 1.00 0.00 H new ATOM 163 N GLU A 14 -6.278 -5.171 -13.584 1.00 0.00 N ATOM 164 CA GLU A 14 -5.671 -3.926 -13.146 1.00 0.00 C ATOM 165 C GLU A 14 -4.413 -3.631 -13.966 1.00 0.00 C ATOM 166 O GLU A 14 -3.805 -4.543 -14.525 1.00 0.00 O ATOM 167 CB GLU A 14 -5.353 -3.967 -11.650 1.00 0.00 C ATOM 168 CG GLU A 14 -6.636 -3.944 -10.816 1.00 0.00 C ATOM 169 CD GLU A 14 -6.336 -4.218 -9.341 1.00 0.00 C ATOM 170 OE1 GLU A 14 -5.316 -4.894 -9.085 1.00 0.00 O ATOM 171 OE2 GLU A 14 -7.132 -3.744 -8.503 1.00 0.00 O ATOM 0 H GLU A 14 -6.566 -5.793 -12.829 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.385 -3.119 -13.310 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.782 -4.867 -11.420 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.727 -3.115 -11.384 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.123 -2.974 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.333 -4.692 -11.194 1.00 0.00 H new ATOM 178 N GLU A 15 -4.061 -2.355 -14.012 1.00 0.00 N ATOM 179 CA GLU A 15 -2.886 -1.929 -14.754 1.00 0.00 C ATOM 180 C GLU A 15 -1.812 -1.411 -13.796 1.00 0.00 C ATOM 181 O GLU A 15 -2.070 -1.231 -12.607 1.00 0.00 O ATOM 182 CB GLU A 15 -3.250 -0.868 -15.794 1.00 0.00 C ATOM 183 CG GLU A 15 -4.171 0.196 -15.194 1.00 0.00 C ATOM 184 CD GLU A 15 -4.512 1.272 -16.226 1.00 0.00 C ATOM 185 OE1 GLU A 15 -5.351 0.972 -17.102 1.00 0.00 O ATOM 186 OE2 GLU A 15 -3.925 2.371 -16.116 1.00 0.00 O ATOM 0 H GLU A 15 -4.569 -1.602 -13.548 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.485 -2.791 -15.287 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.342 -0.397 -16.171 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.741 -1.341 -16.645 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.088 -0.272 -14.835 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.688 0.655 -14.331 1.00 0.00 H new ATOM 193 N GLU A 16 -0.629 -1.187 -14.349 1.00 0.00 N ATOM 194 CA GLU A 16 0.486 -0.694 -13.558 1.00 0.00 C ATOM 195 C GLU A 16 0.455 0.834 -13.493 1.00 0.00 C ATOM 196 O GLU A 16 0.068 1.493 -14.457 1.00 0.00 O ATOM 197 CB GLU A 16 1.819 -1.192 -14.120 1.00 0.00 C ATOM 198 CG GLU A 16 2.124 -2.610 -13.633 1.00 0.00 C ATOM 199 CD GLU A 16 2.421 -3.542 -14.810 1.00 0.00 C ATOM 200 OE1 GLU A 16 1.544 -3.633 -15.696 1.00 0.00 O ATOM 201 OE2 GLU A 16 3.517 -4.142 -14.796 1.00 0.00 O ATOM 0 H GLU A 16 -0.418 -1.338 -15.336 1.00 0.00 H new ATOM 0 HA GLU A 16 0.388 -1.084 -12.545 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.787 -1.177 -15.209 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.620 -0.519 -13.815 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.978 -2.590 -12.956 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.276 -2.994 -13.066 1.00 0.00 H new ATOM 208 N LEU A 17 0.868 1.354 -12.346 1.00 0.00 N ATOM 209 CA LEU A 17 0.892 2.792 -12.142 1.00 0.00 C ATOM 210 C LEU A 17 2.108 3.162 -11.289 1.00 0.00 C ATOM 211 O LEU A 17 2.651 2.318 -10.578 1.00 0.00 O ATOM 212 CB LEU A 17 -0.438 3.273 -11.558 1.00 0.00 C ATOM 213 CG LEU A 17 -1.646 2.369 -11.808 1.00 0.00 C ATOM 214 CD1 LEU A 17 -2.751 2.635 -10.784 1.00 0.00 C ATOM 215 CD2 LEU A 17 -2.150 2.513 -13.246 1.00 0.00 C ATOM 0 H LEU A 17 1.189 0.805 -11.549 1.00 0.00 H new ATOM 0 HA LEU A 17 1.001 3.310 -13.095 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.317 3.394 -10.482 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.656 4.259 -11.967 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.331 1.334 -11.679 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.598 1.979 -10.984 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.372 2.441 -9.781 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.072 3.674 -10.856 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.009 1.860 -13.398 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.444 3.547 -13.427 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.356 2.235 -13.939 1.00 0.00 H new ATOM 227 N THR A 18 2.498 4.424 -11.388 1.00 0.00 N ATOM 228 CA THR A 18 3.640 4.915 -10.634 1.00 0.00 C ATOM 229 C THR A 18 3.316 6.268 -9.998 1.00 0.00 C ATOM 230 O THR A 18 3.093 7.252 -10.703 1.00 0.00 O ATOM 231 CB THR A 18 4.845 4.959 -11.576 1.00 0.00 C ATOM 232 OG1 THR A 18 4.797 3.709 -12.259 1.00 0.00 O ATOM 233 CG2 THR A 18 6.177 4.923 -10.824 1.00 0.00 C ATOM 0 H THR A 18 2.044 5.121 -11.978 1.00 0.00 H new ATOM 0 HA THR A 18 3.882 4.251 -9.805 1.00 0.00 H new ATOM 0 HB THR A 18 4.797 5.861 -12.186 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.543 3.653 -12.892 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.999 4.956 -11.539 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.241 5.782 -10.156 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.241 4.005 -10.240 1.00 0.00 H new ATOM 241 N LEU A 19 3.301 6.275 -8.673 1.00 0.00 N ATOM 242 CA LEU A 19 3.008 7.491 -7.935 1.00 0.00 C ATOM 243 C LEU A 19 4.316 8.102 -7.428 1.00 0.00 C ATOM 244 O LEU A 19 5.335 7.418 -7.348 1.00 0.00 O ATOM 245 CB LEU A 19 1.990 7.214 -6.827 1.00 0.00 C ATOM 246 CG LEU A 19 0.517 7.289 -7.235 1.00 0.00 C ATOM 247 CD1 LEU A 19 0.317 8.279 -8.384 1.00 0.00 C ATOM 248 CD2 LEU A 19 -0.029 5.900 -7.574 1.00 0.00 C ATOM 0 H LEU A 19 3.487 5.458 -8.092 1.00 0.00 H new ATOM 0 HA LEU A 19 2.542 8.229 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.184 6.221 -6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.159 7.926 -6.019 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.055 7.662 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.738 8.314 -8.655 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.644 9.271 -8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.903 7.959 -9.246 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.077 5.981 -7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.541 5.477 -8.401 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.060 5.252 -6.702 1.00 0.00 H new ATOM 260 N THR A 20 4.245 9.384 -7.099 1.00 0.00 N ATOM 261 CA THR A 20 5.411 10.095 -6.603 1.00 0.00 C ATOM 262 C THR A 20 5.037 10.954 -5.394 1.00 0.00 C ATOM 263 O THR A 20 4.195 11.845 -5.497 1.00 0.00 O ATOM 264 CB THR A 20 6.002 10.901 -7.761 1.00 0.00 C ATOM 265 OG1 THR A 20 5.982 9.994 -8.861 1.00 0.00 O ATOM 266 CG2 THR A 20 7.487 11.211 -7.561 1.00 0.00 C ATOM 0 H THR A 20 3.398 9.948 -7.166 1.00 0.00 H new ATOM 0 HA THR A 20 6.174 9.403 -6.247 1.00 0.00 H new ATOM 0 HB THR A 20 5.449 11.833 -7.874 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.347 10.436 -9.656 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.857 11.784 -8.411 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.618 11.791 -6.647 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.046 10.279 -7.482 1.00 0.00 H new ATOM 274 N ILE A 21 5.681 10.657 -4.275 1.00 0.00 N ATOM 275 CA ILE A 21 5.426 11.392 -3.047 1.00 0.00 C ATOM 276 C ILE A 21 6.626 12.288 -2.736 1.00 0.00 C ATOM 277 O ILE A 21 7.753 11.980 -3.122 1.00 0.00 O ATOM 278 CB ILE A 21 5.067 10.430 -1.912 1.00 0.00 C ATOM 279 CG1 ILE A 21 4.025 9.407 -2.370 1.00 0.00 C ATOM 280 CG2 ILE A 21 4.610 11.196 -0.669 1.00 0.00 C ATOM 281 CD1 ILE A 21 4.259 8.051 -1.702 1.00 0.00 C ATOM 0 H ILE A 21 6.379 9.918 -4.193 1.00 0.00 H new ATOM 0 HA ILE A 21 4.562 12.045 -3.166 1.00 0.00 H new ATOM 0 HB ILE A 21 5.964 9.875 -1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.025 9.768 -2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.071 9.296 -3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.361 10.489 0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.412 11.852 -0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.731 11.793 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.505 7.342 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.250 7.682 -1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.188 8.161 -0.620 1.00 0.00 H new ATOM 293 N LEU A 22 6.344 13.381 -2.041 1.00 0.00 N ATOM 294 CA LEU A 22 7.386 14.324 -1.674 1.00 0.00 C ATOM 295 C LEU A 22 7.653 14.223 -0.171 1.00 0.00 C ATOM 296 O LEU A 22 6.821 14.625 0.640 1.00 0.00 O ATOM 297 CB LEU A 22 7.020 15.735 -2.139 1.00 0.00 C ATOM 298 CG LEU A 22 7.077 15.979 -3.649 1.00 0.00 C ATOM 299 CD1 LEU A 22 8.326 16.777 -4.028 1.00 0.00 C ATOM 300 CD2 LEU A 22 6.982 14.662 -4.422 1.00 0.00 C ATOM 0 H LEU A 22 5.409 13.634 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 22 8.318 14.077 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.011 15.960 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.690 16.442 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 22 6.212 16.580 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.342 16.937 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.311 17.741 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.216 16.223 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.025 14.864 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.813 14.015 -4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.040 14.167 -4.184 1.00 0.00 H new ATOM 312 N ARG A 23 8.819 13.683 0.155 1.00 0.00 N ATOM 313 CA ARG A 23 9.206 13.523 1.546 1.00 0.00 C ATOM 314 C ARG A 23 9.581 14.877 2.151 1.00 0.00 C ATOM 315 O ARG A 23 10.121 15.741 1.462 1.00 0.00 O ATOM 316 CB ARG A 23 10.392 12.566 1.681 1.00 0.00 C ATOM 317 CG ARG A 23 10.137 11.527 2.775 1.00 0.00 C ATOM 318 CD ARG A 23 11.271 10.502 2.833 1.00 0.00 C ATOM 319 NE ARG A 23 11.382 9.947 4.201 1.00 0.00 N ATOM 320 CZ ARG A 23 11.928 8.757 4.487 1.00 0.00 C ATOM 321 NH1 ARG A 23 12.416 7.990 3.502 1.00 0.00 N ATOM 322 NH2 ARG A 23 11.986 8.334 5.757 1.00 0.00 N ATOM 0 H ARG A 23 9.508 13.351 -0.520 1.00 0.00 H new ATOM 0 HA ARG A 23 8.354 13.105 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.568 12.063 0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.295 13.131 1.914 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.043 12.025 3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.192 11.018 2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.083 9.699 2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.212 10.971 2.545 1.00 0.00 H new ATOM 0 HE ARG A 23 11.020 10.505 4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.372 8.312 2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.832 7.084 3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.615 8.918 6.506 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.402 7.428 5.974 1.00 0.00 H new ATOM 381 N LEU A 28 6.089 9.593 4.761 1.00 0.00 N ATOM 382 CA LEU A 28 4.874 9.372 3.994 1.00 0.00 C ATOM 383 C LEU A 28 3.684 9.275 4.950 1.00 0.00 C ATOM 384 O LEU A 28 3.819 9.537 6.144 1.00 0.00 O ATOM 385 CB LEU A 28 5.031 8.153 3.082 1.00 0.00 C ATOM 386 CG LEU A 28 6.376 8.021 2.365 1.00 0.00 C ATOM 387 CD1 LEU A 28 6.443 6.722 1.560 1.00 0.00 C ATOM 388 CD2 LEU A 28 6.657 9.249 1.496 1.00 0.00 C ATOM 0 HA LEU A 28 4.683 10.215 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.870 7.255 3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.242 8.182 2.330 1.00 0.00 H new ATOM 0 HG LEU A 28 7.162 7.973 3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.409 6.653 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.320 5.872 2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.648 6.714 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.619 9.130 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.871 9.353 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.681 10.140 2.123 1.00 0.00 H new ATOM 400 N GLY A 29 2.544 8.898 4.389 1.00 0.00 N ATOM 401 CA GLY A 29 1.330 8.764 5.176 1.00 0.00 C ATOM 402 C GLY A 29 0.458 7.623 4.648 1.00 0.00 C ATOM 403 O GLY A 29 -0.704 7.834 4.304 1.00 0.00 O ATOM 0 H GLY A 29 2.436 8.681 3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.587 8.578 6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.769 9.698 5.148 1.00 0.00 H new ATOM 407 N ILE A 30 1.052 6.440 4.601 1.00 0.00 N ATOM 408 CA ILE A 30 0.343 5.266 4.121 1.00 0.00 C ATOM 409 C ILE A 30 0.762 4.049 4.948 1.00 0.00 C ATOM 410 O ILE A 30 1.848 4.031 5.526 1.00 0.00 O ATOM 411 CB ILE A 30 0.556 5.089 2.616 1.00 0.00 C ATOM 412 CG1 ILE A 30 2.040 5.184 2.258 1.00 0.00 C ATOM 413 CG2 ILE A 30 -0.291 6.086 1.823 1.00 0.00 C ATOM 414 CD1 ILE A 30 2.563 3.847 1.729 1.00 0.00 C ATOM 0 H ILE A 30 2.016 6.269 4.887 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.732 5.389 4.255 1.00 0.00 H new ATOM 0 HB ILE A 30 0.222 4.090 2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.187 5.959 1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.612 5.480 3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.122 5.940 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.346 5.927 2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.010 7.102 2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.620 3.942 1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.436 3.079 2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.005 3.566 0.836 1.00 0.00 H new ATOM 426 N SER A 31 -0.120 3.061 4.979 1.00 0.00 N ATOM 427 CA SER A 31 0.144 1.843 5.726 1.00 0.00 C ATOM 428 C SER A 31 -0.048 0.623 4.823 1.00 0.00 C ATOM 429 O SER A 31 -1.009 0.558 4.057 1.00 0.00 O ATOM 430 CB SER A 31 -0.762 1.742 6.954 1.00 0.00 C ATOM 431 OG SER A 31 -0.029 1.872 8.170 1.00 0.00 O ATOM 0 H SER A 31 -1.019 3.079 4.498 1.00 0.00 H new ATOM 0 HA SER A 31 1.177 1.872 6.072 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.526 2.518 6.906 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.281 0.783 6.944 1.00 0.00 H new ATOM 0 HG SER A 31 -0.643 1.804 8.931 1.00 0.00 H new ATOM 437 N ILE A 32 0.881 -0.314 4.941 1.00 0.00 N ATOM 438 CA ILE A 32 0.826 -1.528 4.145 1.00 0.00 C ATOM 439 C ILE A 32 0.296 -2.675 5.008 1.00 0.00 C ATOM 440 O ILE A 32 0.470 -2.672 6.226 1.00 0.00 O ATOM 441 CB ILE A 32 2.188 -1.815 3.510 1.00 0.00 C ATOM 442 CG1 ILE A 32 3.267 -1.984 4.581 1.00 0.00 C ATOM 443 CG2 ILE A 32 2.555 -0.735 2.490 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.576 -2.484 3.965 1.00 0.00 C ATOM 0 H ILE A 32 1.677 -0.257 5.577 1.00 0.00 H new ATOM 0 HA ILE A 32 0.132 -1.407 3.313 1.00 0.00 H new ATOM 0 HB ILE A 32 2.122 -2.759 2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.438 -1.032 5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.925 -2.688 5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.527 -0.962 2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.801 -0.707 1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.598 0.235 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.327 -2.596 4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.407 -3.447 3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.928 -1.765 3.225 1.00 0.00 H new ATOM 456 N ALA A 33 -0.340 -3.628 4.344 1.00 0.00 N ATOM 457 CA ALA A 33 -0.896 -4.779 5.035 1.00 0.00 C ATOM 458 C ALA A 33 -0.668 -6.035 4.191 1.00 0.00 C ATOM 459 O ALA A 33 -1.262 -6.186 3.124 1.00 0.00 O ATOM 460 CB ALA A 33 -2.378 -4.533 5.326 1.00 0.00 C ATOM 0 H ALA A 33 -0.483 -3.627 3.334 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.396 -4.930 5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.795 -5.396 5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.484 -3.648 5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.912 -4.380 4.388 1.00 0.00 H new ATOM 466 N GLY A 34 0.193 -6.903 4.700 1.00 0.00 N ATOM 467 CA GLY A 34 0.507 -8.141 4.006 1.00 0.00 C ATOM 468 C GLY A 34 2.018 -8.367 3.944 1.00 0.00 C ATOM 469 O GLY A 34 2.771 -7.771 4.714 1.00 0.00 O ATOM 0 H GLY A 34 0.683 -6.774 5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.031 -8.979 4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.099 -8.109 2.996 1.00 0.00 H new ATOM 473 N GLY A 35 2.418 -9.229 3.022 1.00 0.00 N ATOM 474 CA GLY A 35 3.827 -9.542 2.850 1.00 0.00 C ATOM 475 C GLY A 35 4.068 -11.051 2.928 1.00 0.00 C ATOM 476 O GLY A 35 3.360 -11.759 3.642 1.00 0.00 O ATOM 0 H GLY A 35 1.791 -9.721 2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.172 -9.165 1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.412 -9.037 3.619 1.00 0.00 H new ATOM 480 N LYS A 36 5.069 -11.497 2.185 1.00 0.00 N ATOM 481 CA LYS A 36 5.412 -12.909 2.162 1.00 0.00 C ATOM 482 C LYS A 36 5.311 -13.478 3.579 1.00 0.00 C ATOM 483 O LYS A 36 5.767 -12.854 4.536 1.00 0.00 O ATOM 484 CB LYS A 36 6.781 -13.117 1.512 1.00 0.00 C ATOM 485 CG LYS A 36 7.358 -14.488 1.874 1.00 0.00 C ATOM 486 CD LYS A 36 8.050 -15.128 0.669 1.00 0.00 C ATOM 487 CE LYS A 36 9.413 -14.482 0.413 1.00 0.00 C ATOM 488 NZ LYS A 36 10.326 -15.442 -0.247 1.00 0.00 N ATOM 0 H LYS A 36 5.654 -10.906 1.594 1.00 0.00 H new ATOM 0 HA LYS A 36 4.704 -13.463 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.690 -13.031 0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.465 -12.333 1.838 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.070 -14.382 2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.560 -15.140 2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.177 -16.197 0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.421 -15.022 -0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.291 -13.598 -0.213 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.847 -14.148 1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.246 -14.987 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.456 -16.274 0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.918 -15.740 -1.156 1.00 0.00 H new ATOM 502 N GLY A 37 4.711 -14.656 3.668 1.00 0.00 N ATOM 503 CA GLY A 37 4.544 -15.315 4.952 1.00 0.00 C ATOM 504 C GLY A 37 3.371 -14.714 5.729 1.00 0.00 C ATOM 505 O GLY A 37 2.464 -15.433 6.144 1.00 0.00 O ATOM 0 H GLY A 37 4.335 -15.171 2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.375 -16.381 4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.459 -15.218 5.536 1.00 0.00 H new ATOM 509 N SER A 38 3.428 -13.401 5.902 1.00 0.00 N ATOM 510 CA SER A 38 2.382 -12.695 6.621 1.00 0.00 C ATOM 511 C SER A 38 1.019 -13.000 5.996 1.00 0.00 C ATOM 512 O SER A 38 0.944 -13.600 4.925 1.00 0.00 O ATOM 513 CB SER A 38 2.638 -11.187 6.627 1.00 0.00 C ATOM 514 OG SER A 38 3.113 -10.730 7.890 1.00 0.00 O ATOM 0 H SER A 38 4.183 -12.808 5.556 1.00 0.00 H new ATOM 0 HA SER A 38 2.386 -13.040 7.655 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.367 -10.940 5.855 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.717 -10.662 6.375 1.00 0.00 H new ATOM 0 HG SER A 38 3.266 -9.763 7.852 1.00 0.00 H new ATOM 520 N THR A 39 -0.025 -12.573 6.691 1.00 0.00 N ATOM 521 CA THR A 39 -1.380 -12.792 6.217 1.00 0.00 C ATOM 522 C THR A 39 -1.689 -11.870 5.036 1.00 0.00 C ATOM 523 O THR A 39 -1.197 -10.744 4.979 1.00 0.00 O ATOM 524 CB THR A 39 -2.332 -12.603 7.401 1.00 0.00 C ATOM 525 OG1 THR A 39 -2.229 -13.824 8.127 1.00 0.00 O ATOM 526 CG2 THR A 39 -3.799 -12.548 6.970 1.00 0.00 C ATOM 0 H THR A 39 0.041 -12.076 7.579 1.00 0.00 H new ATOM 0 HA THR A 39 -1.506 -13.806 5.838 1.00 0.00 H new ATOM 0 HB THR A 39 -2.075 -11.686 7.931 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.813 -13.787 8.913 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.431 -12.413 7.848 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.946 -11.713 6.285 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.066 -13.479 6.470 1.00 0.00 H new ATOM 534 N PRO A 40 -2.522 -12.395 4.099 1.00 0.00 N ATOM 535 CA PRO A 40 -2.902 -11.631 2.923 1.00 0.00 C ATOM 536 C PRO A 40 -3.925 -10.550 3.278 1.00 0.00 C ATOM 537 O PRO A 40 -4.650 -10.676 4.264 1.00 0.00 O ATOM 538 CB PRO A 40 -3.441 -12.660 1.942 1.00 0.00 C ATOM 539 CG PRO A 40 -3.775 -13.890 2.771 1.00 0.00 C ATOM 540 CD PRO A 40 -3.124 -13.725 4.134 1.00 0.00 C ATOM 0 HA PRO A 40 -2.065 -11.086 2.487 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.325 -12.284 1.428 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.702 -12.894 1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.855 -13.999 2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.409 -14.792 2.280 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.858 -13.806 4.936 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.373 -14.495 4.310 1.00 0.00 H new ATOM 548 N TYR A 41 -3.952 -9.512 2.454 1.00 0.00 N ATOM 549 CA TYR A 41 -4.874 -8.410 2.669 1.00 0.00 C ATOM 550 C TYR A 41 -6.104 -8.541 1.767 1.00 0.00 C ATOM 551 O TYR A 41 -7.208 -8.164 2.158 1.00 0.00 O ATOM 552 CB TYR A 41 -4.110 -7.141 2.288 1.00 0.00 C ATOM 553 CG TYR A 41 -5.004 -5.919 2.068 1.00 0.00 C ATOM 554 CD1 TYR A 41 -5.586 -5.702 0.836 1.00 0.00 C ATOM 555 CD2 TYR A 41 -5.229 -5.033 3.102 1.00 0.00 C ATOM 556 CE1 TYR A 41 -6.427 -4.552 0.628 1.00 0.00 C ATOM 557 CE2 TYR A 41 -6.071 -3.883 2.895 1.00 0.00 C ATOM 558 CZ TYR A 41 -6.628 -3.699 1.668 1.00 0.00 C ATOM 559 OH TYR A 41 -7.423 -2.613 1.473 1.00 0.00 O ATOM 0 H TYR A 41 -3.350 -9.411 1.637 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.220 -8.395 3.702 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.389 -6.914 3.073 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.541 -7.331 1.378 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.411 -6.395 0.027 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.774 -5.202 4.067 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.888 -4.371 -0.332 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.256 -3.183 3.696 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.477 -2.094 2.302 1.00 0.00 H new ATOM 569 N LYS A 42 -5.871 -9.076 0.578 1.00 0.00 N ATOM 570 CA LYS A 42 -6.946 -9.261 -0.382 1.00 0.00 C ATOM 571 C LYS A 42 -7.629 -10.606 -0.125 1.00 0.00 C ATOM 572 O LYS A 42 -8.701 -10.657 0.475 1.00 0.00 O ATOM 573 CB LYS A 42 -6.422 -9.100 -1.811 1.00 0.00 C ATOM 574 CG LYS A 42 -7.298 -8.135 -2.612 1.00 0.00 C ATOM 575 CD LYS A 42 -6.461 -7.337 -3.613 1.00 0.00 C ATOM 576 CE LYS A 42 -7.357 -6.530 -4.555 1.00 0.00 C ATOM 577 NZ LYS A 42 -6.572 -6.012 -5.699 1.00 0.00 N ATOM 0 H LYS A 42 -4.954 -9.387 0.257 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.705 -8.489 -0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.397 -8.731 -1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.399 -10.071 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.070 -8.693 -3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.808 -7.452 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.791 -6.665 -3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.836 -8.016 -4.193 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.171 -7.157 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.812 -5.701 -4.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.217 -5.615 -6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.923 -5.270 -5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.023 -6.787 -6.123 1.00 0.00 H new ATOM 591 N GLY A 43 -6.979 -11.662 -0.592 1.00 0.00 N ATOM 592 CA GLY A 43 -7.509 -13.003 -0.420 1.00 0.00 C ATOM 593 C GLY A 43 -6.381 -14.020 -0.237 1.00 0.00 C ATOM 594 O GLY A 43 -5.941 -14.269 0.885 1.00 0.00 O ATOM 0 H GLY A 43 -6.090 -11.615 -1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.170 -13.028 0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.110 -13.274 -1.288 1.00 0.00 H new ATOM 598 N ASP A 44 -5.945 -14.580 -1.355 1.00 0.00 N ATOM 599 CA ASP A 44 -4.876 -15.564 -1.332 1.00 0.00 C ATOM 600 C ASP A 44 -3.643 -14.988 -2.031 1.00 0.00 C ATOM 601 O ASP A 44 -2.838 -15.731 -2.591 1.00 0.00 O ATOM 602 CB ASP A 44 -5.285 -16.840 -2.071 1.00 0.00 C ATOM 603 CG ASP A 44 -5.115 -18.133 -1.272 1.00 0.00 C ATOM 604 OD1 ASP A 44 -4.214 -18.151 -0.407 1.00 0.00 O ATOM 605 OD2 ASP A 44 -5.891 -19.075 -1.545 1.00 0.00 O ATOM 0 H ASP A 44 -6.313 -14.371 -2.283 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.661 -15.804 -0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.329 -16.750 -2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.697 -16.916 -2.986 1.00 0.00 H new ATOM 610 N ASP A 45 -3.533 -13.669 -1.975 1.00 0.00 N ATOM 611 CA ASP A 45 -2.411 -12.984 -2.596 1.00 0.00 C ATOM 612 C ASP A 45 -1.483 -12.443 -1.506 1.00 0.00 C ATOM 613 O ASP A 45 -1.893 -11.621 -0.688 1.00 0.00 O ATOM 614 CB ASP A 45 -2.887 -11.801 -3.441 1.00 0.00 C ATOM 615 CG ASP A 45 -4.232 -11.205 -3.019 1.00 0.00 C ATOM 616 OD1 ASP A 45 -4.322 -10.782 -1.846 1.00 0.00 O ATOM 617 OD2 ASP A 45 -5.138 -11.184 -3.879 1.00 0.00 O ATOM 0 H ASP A 45 -4.202 -13.056 -1.509 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.892 -13.698 -3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.131 -11.017 -3.401 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.959 -12.122 -4.480 1.00 0.00 H new ATOM 622 N GLU A 46 -0.250 -12.927 -1.530 1.00 0.00 N ATOM 623 CA GLU A 46 0.740 -12.503 -0.555 1.00 0.00 C ATOM 624 C GLU A 46 1.465 -11.249 -1.046 1.00 0.00 C ATOM 625 O GLU A 46 2.688 -11.154 -0.944 1.00 0.00 O ATOM 626 CB GLU A 46 1.731 -13.628 -0.254 1.00 0.00 C ATOM 627 CG GLU A 46 1.006 -14.882 0.238 1.00 0.00 C ATOM 628 CD GLU A 46 1.584 -16.141 -0.410 1.00 0.00 C ATOM 629 OE1 GLU A 46 2.812 -16.335 -0.277 1.00 0.00 O ATOM 630 OE2 GLU A 46 0.786 -16.881 -1.024 1.00 0.00 O ATOM 0 H GLU A 46 0.086 -13.609 -2.210 1.00 0.00 H new ATOM 0 HA GLU A 46 0.225 -12.260 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.303 -13.863 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.444 -13.297 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.093 -14.954 1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.057 -14.806 0.008 1.00 0.00 H new ATOM 637 N GLY A 47 0.682 -10.317 -1.570 1.00 0.00 N ATOM 638 CA GLY A 47 1.235 -9.073 -2.077 1.00 0.00 C ATOM 639 C GLY A 47 1.108 -7.954 -1.042 1.00 0.00 C ATOM 640 O GLY A 47 0.390 -8.096 -0.053 1.00 0.00 O ATOM 0 H GLY A 47 -0.331 -10.399 -1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.284 -9.216 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.717 -8.787 -2.992 1.00 0.00 H new ATOM 644 N ILE A 48 1.817 -6.865 -1.304 1.00 0.00 N ATOM 645 CA ILE A 48 1.793 -5.722 -0.408 1.00 0.00 C ATOM 646 C ILE A 48 0.763 -4.708 -0.909 1.00 0.00 C ATOM 647 O ILE A 48 0.993 -4.025 -1.906 1.00 0.00 O ATOM 648 CB ILE A 48 3.198 -5.141 -0.242 1.00 0.00 C ATOM 649 CG1 ILE A 48 4.080 -6.069 0.596 1.00 0.00 C ATOM 650 CG2 ILE A 48 3.142 -3.726 0.336 1.00 0.00 C ATOM 651 CD1 ILE A 48 3.536 -6.202 2.020 1.00 0.00 C ATOM 0 H ILE A 48 2.412 -6.751 -2.125 1.00 0.00 H new ATOM 0 HA ILE A 48 1.480 -6.028 0.590 1.00 0.00 H new ATOM 0 HB ILE A 48 3.655 -5.067 -1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.128 -7.052 0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.098 -5.680 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.154 -3.337 0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.575 -3.081 -0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.657 -3.751 1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.181 -6.867 2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.512 -5.220 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.527 -6.614 1.987 1.00 0.00 H new ATOM 663 N PHE A 49 -0.351 -4.642 -0.195 1.00 0.00 N ATOM 664 CA PHE A 49 -1.417 -3.722 -0.555 1.00 0.00 C ATOM 665 C PHE A 49 -1.568 -2.619 0.495 1.00 0.00 C ATOM 666 O PHE A 49 -1.212 -2.810 1.657 1.00 0.00 O ATOM 667 CB PHE A 49 -2.711 -4.537 -0.610 1.00 0.00 C ATOM 668 CG PHE A 49 -2.758 -5.554 -1.752 1.00 0.00 C ATOM 669 CD1 PHE A 49 -2.015 -6.691 -1.680 1.00 0.00 C ATOM 670 CD2 PHE A 49 -3.542 -5.322 -2.838 1.00 0.00 C ATOM 671 CE1 PHE A 49 -2.058 -7.636 -2.740 1.00 0.00 C ATOM 672 CE2 PHE A 49 -3.585 -6.266 -3.898 1.00 0.00 C ATOM 673 CZ PHE A 49 -2.842 -7.403 -3.827 1.00 0.00 C ATOM 0 H PHE A 49 -0.539 -5.210 0.631 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.193 -3.248 -1.511 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.838 -5.063 0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.554 -3.854 -0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.392 -6.875 -0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.132 -4.419 -2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.468 -8.539 -2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.208 -6.081 -4.761 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.874 -8.121 -4.633 1.00 0.00 H new ATOM 683 N ILE A 50 -2.095 -1.489 0.048 1.00 0.00 N ATOM 684 CA ILE A 50 -2.297 -0.355 0.934 1.00 0.00 C ATOM 685 C ILE A 50 -3.476 -0.645 1.865 1.00 0.00 C ATOM 686 O ILE A 50 -4.548 -1.040 1.410 1.00 0.00 O ATOM 687 CB ILE A 50 -2.453 0.935 0.127 1.00 0.00 C ATOM 688 CG1 ILE A 50 -1.267 1.137 -0.818 1.00 0.00 C ATOM 689 CG2 ILE A 50 -2.663 2.137 1.049 1.00 0.00 C ATOM 690 CD1 ILE A 50 0.048 1.212 -0.039 1.00 0.00 C ATOM 0 H ILE A 50 -2.388 -1.334 -0.917 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.421 -0.204 1.565 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.346 0.845 -0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.224 0.316 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.407 2.053 -1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.771 3.041 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.564 1.986 1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.804 2.242 1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.875 1.356 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.011 2.049 0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.196 0.285 0.515 1.00 0.00 H new ATOM 702 N SER A 51 -3.238 -0.437 3.152 1.00 0.00 N ATOM 703 CA SER A 51 -4.267 -0.670 4.151 1.00 0.00 C ATOM 704 C SER A 51 -4.904 0.657 4.566 1.00 0.00 C ATOM 705 O SER A 51 -6.089 0.706 4.891 1.00 0.00 O ATOM 706 CB SER A 51 -3.694 -1.390 5.373 1.00 0.00 C ATOM 707 OG SER A 51 -2.855 -0.539 6.149 1.00 0.00 O ATOM 0 H SER A 51 -2.347 -0.110 3.526 1.00 0.00 H new ATOM 0 HA SER A 51 -5.032 -1.310 3.712 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.511 -1.757 5.994 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.125 -2.261 5.047 1.00 0.00 H new ATOM 0 HG SER A 51 -2.510 -1.035 6.921 1.00 0.00 H new ATOM 713 N ARG A 52 -4.088 1.701 4.542 1.00 0.00 N ATOM 714 CA ARG A 52 -4.557 3.026 4.912 1.00 0.00 C ATOM 715 C ARG A 52 -3.801 4.096 4.123 1.00 0.00 C ATOM 716 O ARG A 52 -2.631 3.917 3.791 1.00 0.00 O ATOM 717 CB ARG A 52 -4.369 3.278 6.410 1.00 0.00 C ATOM 718 CG ARG A 52 -5.178 4.494 6.866 1.00 0.00 C ATOM 719 CD ARG A 52 -6.672 4.170 6.921 1.00 0.00 C ATOM 720 NE ARG A 52 -7.244 4.637 8.204 1.00 0.00 N ATOM 721 CZ ARG A 52 -8.472 4.320 8.638 1.00 0.00 C ATOM 722 NH1 ARG A 52 -9.264 3.535 7.895 1.00 0.00 N ATOM 723 NH2 ARG A 52 -8.908 4.789 9.815 1.00 0.00 N ATOM 0 H ARG A 52 -3.105 1.656 4.272 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.620 3.080 4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.680 2.398 6.973 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.313 3.437 6.626 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.835 4.815 7.850 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.008 5.326 6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.187 4.648 6.088 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.824 3.096 6.815 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.668 5.237 8.794 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.933 3.178 6.999 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.198 3.294 8.226 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.306 5.387 10.380 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.842 4.548 10.145 1.00 0.00 H new ATOM 737 N VAL A 53 -4.502 5.186 3.845 1.00 0.00 N ATOM 738 CA VAL A 53 -3.912 6.286 3.100 1.00 0.00 C ATOM 739 C VAL A 53 -4.277 7.608 3.777 1.00 0.00 C ATOM 740 O VAL A 53 -5.429 8.035 3.733 1.00 0.00 O ATOM 741 CB VAL A 53 -4.352 6.222 1.636 1.00 0.00 C ATOM 742 CG1 VAL A 53 -4.174 7.579 0.951 1.00 0.00 C ATOM 743 CG2 VAL A 53 -3.597 5.125 0.884 1.00 0.00 C ATOM 0 H VAL A 53 -5.473 5.331 4.122 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.825 6.209 3.102 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.413 5.972 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.494 7.507 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.777 8.328 1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.124 7.870 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.929 5.101 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.527 5.331 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.796 4.160 1.351 1.00 0.00 H new ATOM 753 N SER A 54 -3.273 8.220 4.389 1.00 0.00 N ATOM 754 CA SER A 54 -3.473 9.485 5.074 1.00 0.00 C ATOM 755 C SER A 54 -4.287 10.435 4.192 1.00 0.00 C ATOM 756 O SER A 54 -3.789 10.930 3.183 1.00 0.00 O ATOM 757 CB SER A 54 -2.136 10.126 5.451 1.00 0.00 C ATOM 758 OG SER A 54 -1.586 9.556 6.635 1.00 0.00 O ATOM 0 H SER A 54 -2.318 7.862 4.424 1.00 0.00 H new ATOM 0 HA SER A 54 -4.024 9.291 5.994 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.431 10.004 4.629 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.275 11.197 5.595 1.00 0.00 H new ATOM 0 HG SER A 54 -0.732 9.991 6.841 1.00 0.00 H new ATOM 764 N GLU A 55 -5.526 10.659 4.606 1.00 0.00 N ATOM 765 CA GLU A 55 -6.413 11.541 3.866 1.00 0.00 C ATOM 766 C GLU A 55 -5.724 12.878 3.590 1.00 0.00 C ATOM 767 O GLU A 55 -5.712 13.352 2.455 1.00 0.00 O ATOM 768 CB GLU A 55 -7.731 11.747 4.616 1.00 0.00 C ATOM 769 CG GLU A 55 -8.891 11.070 3.884 1.00 0.00 C ATOM 770 CD GLU A 55 -10.204 11.814 4.131 1.00 0.00 C ATOM 771 OE1 GLU A 55 -10.408 12.846 3.455 1.00 0.00 O ATOM 772 OE2 GLU A 55 -10.975 11.335 4.990 1.00 0.00 O ATOM 0 H GLU A 55 -5.936 10.245 5.443 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.646 11.072 2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.647 11.342 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.933 12.813 4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.682 11.039 2.815 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.985 10.038 4.221 1.00 0.00 H new ATOM 779 N GLU A 56 -5.166 13.450 4.648 1.00 0.00 N ATOM 780 CA GLU A 56 -4.476 14.724 4.533 1.00 0.00 C ATOM 781 C GLU A 56 -2.962 14.512 4.572 1.00 0.00 C ATOM 782 O GLU A 56 -2.229 15.340 5.112 1.00 0.00 O ATOM 783 CB GLU A 56 -4.923 15.689 5.632 1.00 0.00 C ATOM 784 CG GLU A 56 -5.299 17.052 5.046 1.00 0.00 C ATOM 785 CD GLU A 56 -5.648 18.048 6.153 1.00 0.00 C ATOM 786 OE1 GLU A 56 -4.841 18.148 7.102 1.00 0.00 O ATOM 787 OE2 GLU A 56 -6.715 18.687 6.025 1.00 0.00 O ATOM 0 H GLU A 56 -5.178 13.055 5.588 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.736 15.172 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.777 15.270 6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.122 15.811 6.361 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.470 17.438 4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.148 16.940 4.372 1.00 0.00 H new ATOM 794 N GLY A 57 -2.537 13.399 3.991 1.00 0.00 N ATOM 795 CA GLY A 57 -1.122 13.069 3.952 1.00 0.00 C ATOM 796 C GLY A 57 -0.518 13.405 2.587 1.00 0.00 C ATOM 797 O GLY A 57 -1.222 13.863 1.688 1.00 0.00 O ATOM 0 H GLY A 57 -3.147 12.715 3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.595 13.619 4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.986 12.008 4.162 1.00 0.00 H new ATOM 801 N PRO A 58 0.815 13.159 2.472 1.00 0.00 N ATOM 802 CA PRO A 58 1.522 13.431 1.233 1.00 0.00 C ATOM 803 C PRO A 58 1.200 12.374 0.175 1.00 0.00 C ATOM 804 O PRO A 58 1.193 12.667 -1.020 1.00 0.00 O ATOM 805 CB PRO A 58 2.992 13.459 1.616 1.00 0.00 C ATOM 806 CG PRO A 58 3.087 12.746 2.955 1.00 0.00 C ATOM 807 CD PRO A 58 1.680 12.618 3.516 1.00 0.00 C ATOM 0 HA PRO A 58 1.225 14.376 0.778 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.601 12.959 0.863 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.356 14.483 1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.540 11.762 2.832 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.722 13.306 3.641 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.434 11.579 3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.573 13.174 4.447 1.00 0.00 H new ATOM 815 N ALA A 59 0.942 11.165 0.652 1.00 0.00 N ATOM 816 CA ALA A 59 0.620 10.062 -0.238 1.00 0.00 C ATOM 817 C ALA A 59 -0.627 10.415 -1.051 1.00 0.00 C ATOM 818 O ALA A 59 -0.576 10.474 -2.278 1.00 0.00 O ATOM 819 CB ALA A 59 0.440 8.782 0.580 1.00 0.00 C ATOM 0 H ALA A 59 0.949 10.925 1.643 1.00 0.00 H new ATOM 0 HA ALA A 59 1.433 9.887 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.198 7.955 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.363 8.559 1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.370 8.919 1.296 1.00 0.00 H new ATOM 825 N ALA A 60 -1.717 10.641 -0.333 1.00 0.00 N ATOM 826 CA ALA A 60 -2.976 10.987 -0.972 1.00 0.00 C ATOM 827 C ALA A 60 -2.705 11.937 -2.140 1.00 0.00 C ATOM 828 O ALA A 60 -3.306 11.804 -3.206 1.00 0.00 O ATOM 829 CB ALA A 60 -3.925 11.592 0.064 1.00 0.00 C ATOM 0 H ALA A 60 -1.755 10.591 0.685 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.459 10.097 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.869 11.851 -0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.108 10.867 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.475 12.489 0.489 1.00 0.00 H new ATOM 835 N ARG A 61 -1.800 12.876 -1.901 1.00 0.00 N ATOM 836 CA ARG A 61 -1.443 13.848 -2.920 1.00 0.00 C ATOM 837 C ARG A 61 -0.808 13.147 -4.123 1.00 0.00 C ATOM 838 O ARG A 61 -1.191 13.396 -5.265 1.00 0.00 O ATOM 839 CB ARG A 61 -0.465 14.888 -2.370 1.00 0.00 C ATOM 840 CG ARG A 61 -1.014 15.539 -1.099 1.00 0.00 C ATOM 841 CD ARG A 61 -0.145 16.722 -0.670 1.00 0.00 C ATOM 842 NE ARG A 61 -0.787 17.441 0.453 1.00 0.00 N ATOM 843 CZ ARG A 61 -0.520 18.712 0.784 1.00 0.00 C ATOM 844 NH1 ARG A 61 0.380 19.412 0.079 1.00 0.00 N ATOM 845 NH2 ARG A 61 -1.151 19.283 1.818 1.00 0.00 N ATOM 0 H ARG A 61 -1.304 12.984 -1.016 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.357 14.354 -3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.493 14.414 -2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.280 15.653 -3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.036 15.877 -1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.053 14.802 -0.297 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.842 16.369 -0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.001 17.400 -1.511 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.477 16.937 1.011 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.861 18.977 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.584 20.379 0.330 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.836 18.751 2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.947 20.250 2.069 1.00 0.00 H new ATOM 859 N ALA A 62 0.152 12.283 -3.825 1.00 0.00 N ATOM 860 CA ALA A 62 0.843 11.545 -4.868 1.00 0.00 C ATOM 861 C ALA A 62 -0.186 10.898 -5.798 1.00 0.00 C ATOM 862 O ALA A 62 0.015 10.844 -7.010 1.00 0.00 O ATOM 863 CB ALA A 62 1.780 10.517 -4.230 1.00 0.00 C ATOM 0 H ALA A 62 0.467 12.078 -2.877 1.00 0.00 H new ATOM 0 HA ALA A 62 1.456 12.215 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.299 9.963 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.510 11.030 -3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.200 9.825 -3.619 1.00 0.00 H new ATOM 869 N GLY A 63 -1.266 10.424 -5.194 1.00 0.00 N ATOM 870 CA GLY A 63 -2.327 9.783 -5.952 1.00 0.00 C ATOM 871 C GLY A 63 -2.501 8.324 -5.527 1.00 0.00 C ATOM 872 O GLY A 63 -2.903 7.483 -6.330 1.00 0.00 O ATOM 0 H GLY A 63 -1.429 10.471 -4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.262 10.323 -5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.098 9.830 -7.017 1.00 0.00 H new ATOM 876 N VAL A 64 -2.189 8.068 -4.264 1.00 0.00 N ATOM 877 CA VAL A 64 -2.306 6.725 -3.723 1.00 0.00 C ATOM 878 C VAL A 64 -3.760 6.465 -3.325 1.00 0.00 C ATOM 879 O VAL A 64 -4.526 7.403 -3.111 1.00 0.00 O ATOM 880 CB VAL A 64 -1.327 6.542 -2.562 1.00 0.00 C ATOM 881 CG1 VAL A 64 -1.842 7.231 -1.296 1.00 0.00 C ATOM 882 CG2 VAL A 64 -1.051 5.059 -2.305 1.00 0.00 C ATOM 0 H VAL A 64 -1.856 8.768 -3.601 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.038 5.985 -4.477 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.385 7.014 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.127 7.085 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.963 8.297 -1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.803 6.801 -1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.352 4.958 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.984 4.553 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.620 4.609 -3.199 1.00 0.00 H new ATOM 892 N ARG A 65 -4.097 5.186 -3.238 1.00 0.00 N ATOM 893 CA ARG A 65 -5.446 4.791 -2.870 1.00 0.00 C ATOM 894 C ARG A 65 -5.410 3.549 -1.976 1.00 0.00 C ATOM 895 O ARG A 65 -4.455 2.775 -2.021 1.00 0.00 O ATOM 896 CB ARG A 65 -6.291 4.494 -4.110 1.00 0.00 C ATOM 897 CG ARG A 65 -6.903 5.777 -4.676 1.00 0.00 C ATOM 898 CD ARG A 65 -7.769 5.477 -5.902 1.00 0.00 C ATOM 899 NE ARG A 65 -7.866 6.679 -6.759 1.00 0.00 N ATOM 900 CZ ARG A 65 -8.822 6.870 -7.679 1.00 0.00 C ATOM 901 NH1 ARG A 65 -9.767 5.939 -7.867 1.00 0.00 N ATOM 902 NH2 ARG A 65 -8.832 7.992 -8.412 1.00 0.00 N ATOM 0 H ARG A 65 -3.459 4.410 -3.416 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.898 5.621 -2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.673 4.016 -4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.084 3.791 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.507 6.265 -3.911 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.110 6.473 -4.948 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.339 4.651 -6.468 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.764 5.164 -5.587 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.162 7.408 -6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.759 5.085 -7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.494 6.085 -8.567 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.112 8.701 -8.270 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.559 8.137 -9.112 1.00 0.00 H new ATOM 916 N VAL A 66 -6.462 3.398 -1.185 1.00 0.00 N ATOM 917 CA VAL A 66 -6.563 2.263 -0.283 1.00 0.00 C ATOM 918 C VAL A 66 -6.870 1.001 -1.090 1.00 0.00 C ATOM 919 O VAL A 66 -7.892 0.928 -1.771 1.00 0.00 O ATOM 920 CB VAL A 66 -7.604 2.548 0.801 1.00 0.00 C ATOM 921 CG1 VAL A 66 -7.962 1.272 1.566 1.00 0.00 C ATOM 922 CG2 VAL A 66 -7.118 3.641 1.755 1.00 0.00 C ATOM 0 H VAL A 66 -7.252 4.043 -1.150 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.616 2.097 0.230 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.508 2.910 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.704 1.502 2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.371 0.536 0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.067 0.868 2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.877 3.824 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.193 3.320 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.937 4.559 1.195 1.00 0.00 H new ATOM 932 N GLY A 67 -5.966 0.037 -0.988 1.00 0.00 N ATOM 933 CA GLY A 67 -6.128 -1.219 -1.700 1.00 0.00 C ATOM 934 C GLY A 67 -5.174 -1.299 -2.894 1.00 0.00 C ATOM 935 O GLY A 67 -5.271 -2.214 -3.710 1.00 0.00 O ATOM 0 H GLY A 67 -5.119 0.101 -0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.940 -2.052 -1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.157 -1.315 -2.045 1.00 0.00 H new ATOM 939 N ASP A 68 -4.274 -0.329 -2.958 1.00 0.00 N ATOM 940 CA ASP A 68 -3.304 -0.278 -4.038 1.00 0.00 C ATOM 941 C ASP A 68 -2.282 -1.402 -3.853 1.00 0.00 C ATOM 942 O ASP A 68 -1.682 -1.531 -2.788 1.00 0.00 O ATOM 943 CB ASP A 68 -2.548 1.052 -4.037 1.00 0.00 C ATOM 944 CG ASP A 68 -3.381 2.269 -4.445 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.621 2.175 -4.324 1.00 0.00 O ATOM 946 OD2 ASP A 68 -2.758 3.267 -4.869 1.00 0.00 O ATOM 0 H ASP A 68 -4.196 0.428 -2.279 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.842 -0.387 -4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.146 1.224 -3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.697 0.970 -4.713 1.00 0.00 H new ATOM 951 N LYS A 69 -2.117 -2.187 -4.908 1.00 0.00 N ATOM 952 CA LYS A 69 -1.179 -3.296 -4.876 1.00 0.00 C ATOM 953 C LYS A 69 0.216 -2.789 -5.246 1.00 0.00 C ATOM 954 O LYS A 69 0.539 -2.653 -6.425 1.00 0.00 O ATOM 955 CB LYS A 69 -1.672 -4.441 -5.762 1.00 0.00 C ATOM 956 CG LYS A 69 -0.710 -5.629 -5.709 1.00 0.00 C ATOM 957 CD LYS A 69 -1.006 -6.626 -6.831 1.00 0.00 C ATOM 958 CE LYS A 69 -0.316 -7.967 -6.571 1.00 0.00 C ATOM 959 NZ LYS A 69 0.446 -8.398 -7.764 1.00 0.00 N ATOM 0 H LYS A 69 -2.617 -2.077 -5.790 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.112 -3.709 -3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.663 -4.756 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.770 -4.093 -6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.317 -5.274 -5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.795 -6.127 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.082 -6.777 -6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.668 -6.218 -7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.355 -7.878 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.060 -8.722 -6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.908 -9.309 -7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.202 -8.503 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.169 -7.685 -7.991 1.00 0.00 H new ATOM 973 N LEU A 70 1.007 -2.523 -4.216 1.00 0.00 N ATOM 974 CA LEU A 70 2.360 -2.034 -4.418 1.00 0.00 C ATOM 975 C LEU A 70 3.161 -3.072 -5.207 1.00 0.00 C ATOM 976 O LEU A 70 3.213 -4.240 -4.827 1.00 0.00 O ATOM 977 CB LEU A 70 2.997 -1.652 -3.080 1.00 0.00 C ATOM 978 CG LEU A 70 3.697 -0.293 -3.034 1.00 0.00 C ATOM 979 CD1 LEU A 70 4.709 -0.158 -4.174 1.00 0.00 C ATOM 980 CD2 LEU A 70 2.679 0.849 -3.034 1.00 0.00 C ATOM 0 H LEU A 70 0.736 -2.637 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 70 2.350 -1.120 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.221 -1.665 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.722 -2.421 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 70 4.254 -0.228 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.192 0.817 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.462 -0.942 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.195 -0.254 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.203 1.804 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.075 0.798 -3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.032 0.760 -2.161 1.00 0.00 H new ATOM 992 N LEU A 71 3.765 -2.607 -6.291 1.00 0.00 N ATOM 993 CA LEU A 71 4.560 -3.481 -7.137 1.00 0.00 C ATOM 994 C LEU A 71 6.042 -3.144 -6.960 1.00 0.00 C ATOM 995 O LEU A 71 6.885 -4.039 -6.919 1.00 0.00 O ATOM 996 CB LEU A 71 4.081 -3.404 -8.588 1.00 0.00 C ATOM 997 CG LEU A 71 2.573 -3.237 -8.788 1.00 0.00 C ATOM 998 CD1 LEU A 71 2.260 -2.731 -10.198 1.00 0.00 C ATOM 999 CD2 LEU A 71 1.831 -4.536 -8.467 1.00 0.00 C ATOM 0 H LEU A 71 3.720 -1.637 -6.603 1.00 0.00 H new ATOM 0 HA LEU A 71 4.431 -4.521 -6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.587 -2.569 -9.073 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.398 -4.311 -9.103 1.00 0.00 H new ATOM 0 HG LEU A 71 2.217 -2.481 -8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.182 -2.621 -10.314 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.742 -1.766 -10.354 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.633 -3.445 -10.932 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.761 -4.391 -8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.185 -5.329 -9.125 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.017 -4.815 -7.430 1.00 0.00 H new ATOM 1011 N GLU A 72 6.314 -1.851 -6.859 1.00 0.00 N ATOM 1012 CA GLU A 72 7.680 -1.385 -6.687 1.00 0.00 C ATOM 1013 C GLU A 72 7.704 -0.117 -5.831 1.00 0.00 C ATOM 1014 O GLU A 72 6.689 0.565 -5.697 1.00 0.00 O ATOM 1015 CB GLU A 72 8.352 -1.147 -8.040 1.00 0.00 C ATOM 1016 CG GLU A 72 9.506 -2.127 -8.260 1.00 0.00 C ATOM 1017 CD GLU A 72 9.863 -2.229 -9.744 1.00 0.00 C ATOM 1018 OE1 GLU A 72 9.065 -2.850 -10.479 1.00 0.00 O ATOM 1019 OE2 GLU A 72 10.927 -1.684 -10.111 1.00 0.00 O ATOM 0 H GLU A 72 5.612 -1.112 -6.893 1.00 0.00 H new ATOM 0 HA GLU A 72 8.246 -2.160 -6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.619 -1.258 -8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.725 -0.124 -8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.378 -1.800 -7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.230 -3.111 -7.880 1.00 0.00 H new ATOM 1026 N VAL A 73 8.874 0.161 -5.275 1.00 0.00 N ATOM 1027 CA VAL A 73 9.044 1.335 -4.437 1.00 0.00 C ATOM 1028 C VAL A 73 10.474 1.860 -4.584 1.00 0.00 C ATOM 1029 O VAL A 73 11.417 1.252 -4.080 1.00 0.00 O ATOM 1030 CB VAL A 73 8.676 1.002 -2.989 1.00 0.00 C ATOM 1031 CG1 VAL A 73 9.479 1.859 -2.008 1.00 0.00 C ATOM 1032 CG2 VAL A 73 7.173 1.163 -2.755 1.00 0.00 C ATOM 0 H VAL A 73 9.714 -0.407 -5.389 1.00 0.00 H new ATOM 0 HA VAL A 73 8.371 2.131 -4.755 1.00 0.00 H new ATOM 0 HB VAL A 73 8.933 -0.042 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.198 1.602 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.544 1.673 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.268 2.913 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.938 0.920 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.881 2.193 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.628 0.491 -3.418 1.00 0.00 H new ATOM 1042 N ASN A 74 10.589 2.983 -5.278 1.00 0.00 N ATOM 1043 CA ASN A 74 11.888 3.596 -5.498 1.00 0.00 C ATOM 1044 C ASN A 74 12.731 2.686 -6.394 1.00 0.00 C ATOM 1045 O ASN A 74 13.927 2.915 -6.567 1.00 0.00 O ATOM 1046 CB ASN A 74 12.638 3.787 -4.178 1.00 0.00 C ATOM 1047 CG ASN A 74 11.801 4.592 -3.183 1.00 0.00 C ATOM 1048 OD1 ASN A 74 11.268 4.072 -2.217 1.00 0.00 O ATOM 1049 ND2 ASN A 74 11.714 5.887 -3.473 1.00 0.00 N ATOM 0 H ASN A 74 9.804 3.484 -5.695 1.00 0.00 H new ATOM 0 HA ASN A 74 11.728 4.568 -5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.882 2.815 -3.750 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.582 4.300 -4.363 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.176 6.510 -2.870 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.185 6.258 -4.298 1.00 0.00 H new ATOM 1056 N GLY A 75 12.074 1.673 -6.940 1.00 0.00 N ATOM 1057 CA GLY A 75 12.749 0.728 -7.813 1.00 0.00 C ATOM 1058 C GLY A 75 12.809 -0.662 -7.176 1.00 0.00 C ATOM 1059 O GLY A 75 13.009 -1.658 -7.868 1.00 0.00 O ATOM 0 H GLY A 75 11.082 1.486 -6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.226 0.672 -8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.759 1.079 -8.023 1.00 0.00 H new ATOM 1063 N VAL A 76 12.632 -0.683 -5.863 1.00 0.00 N ATOM 1064 CA VAL A 76 12.663 -1.934 -5.124 1.00 0.00 C ATOM 1065 C VAL A 76 11.402 -2.741 -5.442 1.00 0.00 C ATOM 1066 O VAL A 76 10.310 -2.182 -5.534 1.00 0.00 O ATOM 1067 CB VAL A 76 12.833 -1.655 -3.629 1.00 0.00 C ATOM 1068 CG1 VAL A 76 11.547 -1.085 -3.028 1.00 0.00 C ATOM 1069 CG2 VAL A 76 13.277 -2.915 -2.883 1.00 0.00 C ATOM 0 H VAL A 76 12.467 0.146 -5.292 1.00 0.00 H new ATOM 0 HA VAL A 76 13.519 -2.536 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 76 13.616 -0.906 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.695 -0.896 -1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.293 -0.152 -3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.735 -1.801 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.390 -2.689 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.527 -3.696 -3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.230 -3.259 -3.285 1.00 0.00 H new ATOM 1079 N ALA A 77 11.595 -4.042 -5.600 1.00 0.00 N ATOM 1080 CA ALA A 77 10.487 -4.931 -5.906 1.00 0.00 C ATOM 1081 C ALA A 77 9.810 -5.361 -4.603 1.00 0.00 C ATOM 1082 O ALA A 77 10.440 -5.978 -3.746 1.00 0.00 O ATOM 1083 CB ALA A 77 10.998 -6.123 -6.718 1.00 0.00 C ATOM 0 H ALA A 77 12.502 -4.502 -5.522 1.00 0.00 H new ATOM 0 HA ALA A 77 9.740 -4.419 -6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.167 -6.790 -6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.444 -5.766 -7.646 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.747 -6.663 -6.139 1.00 0.00 H new ATOM 1089 N LEU A 78 8.535 -5.017 -4.495 1.00 0.00 N ATOM 1090 CA LEU A 78 7.765 -5.359 -3.311 1.00 0.00 C ATOM 1091 C LEU A 78 6.836 -6.531 -3.634 1.00 0.00 C ATOM 1092 O LEU A 78 5.734 -6.621 -3.094 1.00 0.00 O ATOM 1093 CB LEU A 78 7.035 -4.127 -2.772 1.00 0.00 C ATOM 1094 CG LEU A 78 7.921 -3.025 -2.188 1.00 0.00 C ATOM 1095 CD1 LEU A 78 7.082 -1.979 -1.451 1.00 0.00 C ATOM 1096 CD2 LEU A 78 9.014 -3.616 -1.294 1.00 0.00 C ATOM 0 H LEU A 78 8.016 -4.505 -5.208 1.00 0.00 H new ATOM 0 HA LEU A 78 8.426 -5.686 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.441 -3.699 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.337 -4.451 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 78 8.419 -2.515 -3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.737 -1.207 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.373 -1.526 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.537 -2.457 -0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.630 -2.811 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.554 -4.166 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.637 -4.292 -1.880 1.00 0.00 H new ATOM 1108 N GLN A 79 7.316 -7.401 -4.511 1.00 0.00 N ATOM 1109 CA GLN A 79 6.542 -8.564 -4.911 1.00 0.00 C ATOM 1110 C GLN A 79 6.904 -9.768 -4.039 1.00 0.00 C ATOM 1111 O GLN A 79 8.038 -10.245 -4.073 1.00 0.00 O ATOM 1112 CB GLN A 79 6.752 -8.878 -6.394 1.00 0.00 C ATOM 1113 CG GLN A 79 5.414 -8.966 -7.130 1.00 0.00 C ATOM 1114 CD GLN A 79 5.611 -8.846 -8.643 1.00 0.00 C ATOM 1115 OE1 GLN A 79 6.618 -9.254 -9.198 1.00 0.00 O ATOM 1116 NE2 GLN A 79 4.597 -8.263 -9.276 1.00 0.00 N ATOM 0 H GLN A 79 8.231 -7.324 -4.955 1.00 0.00 H new ATOM 0 HA GLN A 79 5.485 -8.340 -4.767 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.371 -8.105 -6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.291 -9.820 -6.497 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.928 -9.914 -6.897 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.751 -8.174 -6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.783 -7.944 -8.750 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.633 -8.135 -10.287 1.00 0.00 H new ATOM 1125 N GLY A 80 5.921 -10.224 -3.278 1.00 0.00 N ATOM 1126 CA GLY A 80 6.121 -11.363 -2.399 1.00 0.00 C ATOM 1127 C GLY A 80 7.278 -11.110 -1.430 1.00 0.00 C ATOM 1128 O GLY A 80 8.002 -12.036 -1.066 1.00 0.00 O ATOM 0 H GLY A 80 4.983 -9.825 -3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.208 -11.559 -1.837 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.327 -12.254 -2.993 1.00 0.00 H new ATOM 1132 N ALA A 81 7.416 -9.852 -1.038 1.00 0.00 N ATOM 1133 CA ALA A 81 8.472 -9.466 -0.118 1.00 0.00 C ATOM 1134 C ALA A 81 7.908 -9.404 1.302 1.00 0.00 C ATOM 1135 O ALA A 81 6.759 -9.013 1.501 1.00 0.00 O ATOM 1136 CB ALA A 81 9.076 -8.132 -0.564 1.00 0.00 C ATOM 0 H ALA A 81 6.814 -9.087 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 81 9.273 -10.205 -0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.868 -7.842 0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.489 -8.237 -1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.301 -7.365 -0.569 1.00 0.00 H new ATOM 1142 N GLU A 82 8.743 -9.796 2.254 1.00 0.00 N ATOM 1143 CA GLU A 82 8.341 -9.790 3.650 1.00 0.00 C ATOM 1144 C GLU A 82 8.062 -8.360 4.117 1.00 0.00 C ATOM 1145 O GLU A 82 8.594 -7.405 3.553 1.00 0.00 O ATOM 1146 CB GLU A 82 9.403 -10.456 4.529 1.00 0.00 C ATOM 1147 CG GLU A 82 9.567 -11.933 4.165 1.00 0.00 C ATOM 1148 CD GLU A 82 9.099 -12.835 5.309 1.00 0.00 C ATOM 1149 OE1 GLU A 82 7.896 -12.752 5.640 1.00 0.00 O ATOM 1150 OE2 GLU A 82 9.953 -13.586 5.826 1.00 0.00 O ATOM 0 H GLU A 82 9.696 -10.120 2.086 1.00 0.00 H new ATOM 0 HA GLU A 82 7.422 -10.368 3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.356 -9.940 4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.121 -10.365 5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.994 -12.155 3.265 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.612 -12.141 3.937 1.00 0.00 H new ATOM 1157 N HIS A 83 7.229 -8.258 5.141 1.00 0.00 N ATOM 1158 CA HIS A 83 6.873 -6.960 5.690 1.00 0.00 C ATOM 1159 C HIS A 83 8.128 -6.093 5.814 1.00 0.00 C ATOM 1160 O HIS A 83 8.195 -5.007 5.240 1.00 0.00 O ATOM 1161 CB HIS A 83 6.127 -7.117 7.017 1.00 0.00 C ATOM 1162 CG HIS A 83 5.007 -6.123 7.213 1.00 0.00 C ATOM 1163 ND1 HIS A 83 3.795 -6.220 6.553 1.00 0.00 N ATOM 1164 CD2 HIS A 83 4.928 -5.014 8.002 1.00 0.00 C ATOM 1165 CE1 HIS A 83 3.029 -5.209 6.934 1.00 0.00 C ATOM 1166 NE2 HIS A 83 3.733 -4.462 7.832 1.00 0.00 N ATOM 0 H HIS A 83 6.790 -9.053 5.606 1.00 0.00 H new ATOM 0 HA HIS A 83 6.187 -6.451 5.013 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.718 -8.126 7.075 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.838 -7.014 7.836 1.00 0.00 H new ATOM 0 HD1 HIS A 83 3.535 -6.947 5.886 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.706 -4.647 8.655 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.023 -5.011 6.593 1.00 0.00 H new ATOM 1174 N HIS A 84 9.090 -6.606 6.566 1.00 0.00 N ATOM 1175 CA HIS A 84 10.339 -5.893 6.772 1.00 0.00 C ATOM 1176 C HIS A 84 10.868 -5.385 5.429 1.00 0.00 C ATOM 1177 O HIS A 84 11.125 -4.193 5.270 1.00 0.00 O ATOM 1178 CB HIS A 84 11.350 -6.770 7.514 1.00 0.00 C ATOM 1179 CG HIS A 84 12.038 -7.789 6.638 1.00 0.00 C ATOM 1180 ND1 HIS A 84 13.287 -7.576 6.079 1.00 0.00 N ATOM 1181 CD2 HIS A 84 11.641 -9.029 6.232 1.00 0.00 C ATOM 1182 CE1 HIS A 84 13.615 -8.646 5.370 1.00 0.00 C ATOM 1183 NE2 HIS A 84 12.594 -9.545 5.465 1.00 0.00 N ATOM 0 H HIS A 84 9.030 -7.507 7.040 1.00 0.00 H new ATOM 0 HA HIS A 84 10.165 -5.024 7.407 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.105 -6.130 7.971 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.839 -7.289 8.325 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.709 -9.510 6.491 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.531 -8.782 4.814 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.567 -10.462 5.020 1.00 0.00 H new ATOM 1191 N GLU A 85 11.016 -6.316 4.498 1.00 0.00 N ATOM 1192 CA GLU A 85 11.510 -5.978 3.174 1.00 0.00 C ATOM 1193 C GLU A 85 10.767 -4.758 2.626 1.00 0.00 C ATOM 1194 O GLU A 85 11.389 -3.807 2.156 1.00 0.00 O ATOM 1195 CB GLU A 85 11.386 -7.169 2.222 1.00 0.00 C ATOM 1196 CG GLU A 85 12.444 -8.229 2.529 1.00 0.00 C ATOM 1197 CD GLU A 85 13.134 -8.704 1.248 1.00 0.00 C ATOM 1198 OE1 GLU A 85 13.560 -7.821 0.473 1.00 0.00 O ATOM 1199 OE2 GLU A 85 13.218 -9.939 1.073 1.00 0.00 O ATOM 0 H GLU A 85 10.803 -7.304 4.634 1.00 0.00 H new ATOM 0 HA GLU A 85 12.568 -5.729 3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.392 -7.607 2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.495 -6.829 1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.185 -7.820 3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.979 -9.077 3.031 1.00 0.00 H new ATOM 1206 N ALA A 86 9.446 -4.825 2.704 1.00 0.00 N ATOM 1207 CA ALA A 86 8.611 -3.738 2.221 1.00 0.00 C ATOM 1208 C ALA A 86 8.866 -2.490 3.070 1.00 0.00 C ATOM 1209 O ALA A 86 9.226 -1.439 2.542 1.00 0.00 O ATOM 1210 CB ALA A 86 7.144 -4.171 2.246 1.00 0.00 C ATOM 0 H ALA A 86 8.933 -5.615 3.095 1.00 0.00 H new ATOM 0 HA ALA A 86 8.860 -3.491 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.518 -3.356 1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.011 -5.043 1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.856 -4.423 3.267 1.00 0.00 H new ATOM 1216 N VAL A 87 8.668 -2.647 4.370 1.00 0.00 N ATOM 1217 CA VAL A 87 8.871 -1.547 5.297 1.00 0.00 C ATOM 1218 C VAL A 87 10.219 -0.883 5.005 1.00 0.00 C ATOM 1219 O VAL A 87 10.279 0.316 4.739 1.00 0.00 O ATOM 1220 CB VAL A 87 8.750 -2.046 6.738 1.00 0.00 C ATOM 1221 CG1 VAL A 87 9.211 -0.976 7.729 1.00 0.00 C ATOM 1222 CG2 VAL A 87 7.321 -2.498 7.043 1.00 0.00 C ATOM 0 H VAL A 87 8.369 -3.520 4.804 1.00 0.00 H new ATOM 0 HA VAL A 87 8.099 -0.789 5.165 1.00 0.00 H new ATOM 0 HB VAL A 87 9.405 -2.910 6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.115 -1.356 8.746 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.253 -0.723 7.533 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.594 -0.085 7.615 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.262 -2.848 8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.637 -1.661 6.905 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.044 -3.308 6.368 1.00 0.00 H new ATOM 1232 N GLU A 88 11.266 -1.692 5.065 1.00 0.00 N ATOM 1233 CA GLU A 88 12.609 -1.199 4.811 1.00 0.00 C ATOM 1234 C GLU A 88 12.636 -0.373 3.523 1.00 0.00 C ATOM 1235 O GLU A 88 13.093 0.769 3.524 1.00 0.00 O ATOM 1236 CB GLU A 88 13.613 -2.351 4.744 1.00 0.00 C ATOM 1237 CG GLU A 88 14.771 -2.127 5.719 1.00 0.00 C ATOM 1238 CD GLU A 88 15.725 -1.049 5.200 1.00 0.00 C ATOM 1239 OE1 GLU A 88 15.217 0.040 4.854 1.00 0.00 O ATOM 1240 OE2 GLU A 88 16.940 -1.339 5.160 1.00 0.00 O ATOM 0 H GLU A 88 11.212 -2.686 5.286 1.00 0.00 H new ATOM 0 HA GLU A 88 12.901 -0.554 5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.111 -3.290 4.979 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.000 -2.442 3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.379 -1.833 6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.315 -3.060 5.863 1.00 0.00 H new ATOM 1247 N ALA A 89 12.140 -0.982 2.456 1.00 0.00 N ATOM 1248 CA ALA A 89 12.101 -0.317 1.165 1.00 0.00 C ATOM 1249 C ALA A 89 11.575 1.108 1.346 1.00 0.00 C ATOM 1250 O ALA A 89 12.225 2.070 0.938 1.00 0.00 O ATOM 1251 CB ALA A 89 11.246 -1.135 0.195 1.00 0.00 C ATOM 0 H ALA A 89 11.762 -1.929 2.459 1.00 0.00 H new ATOM 0 HA ALA A 89 13.102 -0.247 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.217 -0.636 -0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.678 -2.129 0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.233 -1.224 0.588 1.00 0.00 H new ATOM 1257 N LEU A 90 10.404 1.200 1.957 1.00 0.00 N ATOM 1258 CA LEU A 90 9.783 2.492 2.197 1.00 0.00 C ATOM 1259 C LEU A 90 10.792 3.418 2.879 1.00 0.00 C ATOM 1260 O LEU A 90 11.023 4.535 2.420 1.00 0.00 O ATOM 1261 CB LEU A 90 8.478 2.323 2.977 1.00 0.00 C ATOM 1262 CG LEU A 90 7.251 1.928 2.153 1.00 0.00 C ATOM 1263 CD1 LEU A 90 6.143 1.374 3.051 1.00 0.00 C ATOM 1264 CD2 LEU A 90 6.764 3.100 1.298 1.00 0.00 C ATOM 0 H LEU A 90 9.868 0.400 2.294 1.00 0.00 H new ATOM 0 HA LEU A 90 9.504 2.962 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.633 1.567 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.260 3.260 3.490 1.00 0.00 H new ATOM 0 HG LEU A 90 7.541 1.130 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.282 1.101 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.508 0.493 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.848 2.133 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.891 2.792 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.496 3.936 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.557 3.408 0.617 1.00 0.00 H new ATOM 1276 N ARG A 91 11.365 2.920 3.965 1.00 0.00 N ATOM 1277 CA ARG A 91 12.343 3.689 4.715 1.00 0.00 C ATOM 1278 C ARG A 91 13.437 4.211 3.781 1.00 0.00 C ATOM 1279 O ARG A 91 13.825 5.375 3.864 1.00 0.00 O ATOM 1280 CB ARG A 91 12.984 2.841 5.816 1.00 0.00 C ATOM 1281 CG ARG A 91 12.065 2.741 7.035 1.00 0.00 C ATOM 1282 CD ARG A 91 11.782 1.279 7.389 1.00 0.00 C ATOM 1283 NE ARG A 91 12.957 0.685 8.065 1.00 0.00 N ATOM 1284 CZ ARG A 91 13.256 0.875 9.357 1.00 0.00 C ATOM 1285 NH1 ARG A 91 12.469 1.644 10.121 1.00 0.00 N ATOM 1286 NH2 ARG A 91 14.343 0.296 9.885 1.00 0.00 N ATOM 0 H ARG A 91 11.170 1.993 4.343 1.00 0.00 H new ATOM 0 HA ARG A 91 11.822 4.529 5.176 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.197 1.843 5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 91 13.937 3.280 6.110 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.527 3.242 7.886 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.127 3.258 6.831 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.908 1.216 8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.549 0.716 6.485 1.00 0.00 H new ATOM 0 HE ARG A 91 13.578 0.094 7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.642 2.085 9.719 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.697 1.788 11.105 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.943 -0.289 9.303 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.571 0.441 10.869 1.00 0.00 H new ATOM 1300 N GLY A 92 13.903 3.324 2.914 1.00 0.00 N ATOM 1301 CA GLY A 92 14.945 3.681 1.966 1.00 0.00 C ATOM 1302 C GLY A 92 14.364 4.449 0.777 1.00 0.00 C ATOM 1303 O GLY A 92 14.046 3.856 -0.253 1.00 0.00 O ATOM 0 H GLY A 92 13.578 2.359 2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.701 4.290 2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.444 2.779 1.612 1.00 0.00 H new ATOM 1307 N ALA A 93 14.243 5.755 0.959 1.00 0.00 N ATOM 1308 CA ALA A 93 13.705 6.610 -0.086 1.00 0.00 C ATOM 1309 C ALA A 93 13.945 8.075 0.285 1.00 0.00 C ATOM 1310 O ALA A 93 13.736 8.470 1.431 1.00 0.00 O ATOM 1311 CB ALA A 93 12.222 6.295 -0.291 1.00 0.00 C ATOM 0 H ALA A 93 14.508 6.243 1.815 1.00 0.00 H new ATOM 0 HA ALA A 93 14.211 6.423 -1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.819 6.936 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.109 5.251 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.680 6.473 0.638 1.00 0.00 H new ATOM 1317 N GLY A 94 14.379 8.840 -0.705 1.00 0.00 N ATOM 1318 CA GLY A 94 14.648 10.252 -0.497 1.00 0.00 C ATOM 1319 C GLY A 94 13.357 11.072 -0.554 1.00 0.00 C ATOM 1320 O GLY A 94 12.273 10.547 -0.304 1.00 0.00 O ATOM 0 H GLY A 94 14.551 8.508 -1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.131 10.395 0.470 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.343 10.609 -1.257 1.00 0.00 H new ATOM 1324 N THR A 95 13.516 12.345 -0.884 1.00 0.00 N ATOM 1325 CA THR A 95 12.377 13.242 -0.977 1.00 0.00 C ATOM 1326 C THR A 95 11.310 12.655 -1.904 1.00 0.00 C ATOM 1327 O THR A 95 10.253 12.224 -1.446 1.00 0.00 O ATOM 1328 CB THR A 95 12.888 14.611 -1.430 1.00 0.00 C ATOM 1329 OG1 THR A 95 13.668 15.071 -0.330 1.00 0.00 O ATOM 1330 CG2 THR A 95 11.767 15.644 -1.550 1.00 0.00 C ATOM 0 H THR A 95 14.417 12.777 -1.090 1.00 0.00 H new ATOM 0 HA THR A 95 11.891 13.365 -0.009 1.00 0.00 H new ATOM 0 HB THR A 95 13.393 14.510 -2.391 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.040 15.953 -0.539 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.184 16.597 -1.874 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.033 15.302 -2.280 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.283 15.770 -0.581 1.00 0.00 H new ATOM 1338 N ALA A 96 11.625 12.656 -3.191 1.00 0.00 N ATOM 1339 CA ALA A 96 10.707 12.128 -4.186 1.00 0.00 C ATOM 1340 C ALA A 96 10.684 10.601 -4.094 1.00 0.00 C ATOM 1341 O ALA A 96 11.603 9.934 -4.565 1.00 0.00 O ATOM 1342 CB ALA A 96 11.119 12.623 -5.574 1.00 0.00 C ATOM 0 H ALA A 96 12.503 13.014 -3.568 1.00 0.00 H new ATOM 0 HA ALA A 96 9.694 12.484 -4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.431 12.227 -6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.090 13.712 -5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.130 12.283 -5.796 1.00 0.00 H new ATOM 1348 N VAL A 97 9.622 10.093 -3.485 1.00 0.00 N ATOM 1349 CA VAL A 97 9.467 8.657 -3.325 1.00 0.00 C ATOM 1350 C VAL A 97 8.552 8.122 -4.428 1.00 0.00 C ATOM 1351 O VAL A 97 7.406 8.553 -4.552 1.00 0.00 O ATOM 1352 CB VAL A 97 8.958 8.339 -1.918 1.00 0.00 C ATOM 1353 CG1 VAL A 97 8.689 6.842 -1.758 1.00 0.00 C ATOM 1354 CG2 VAL A 97 9.939 8.837 -0.854 1.00 0.00 C ATOM 0 H VAL A 97 8.861 10.650 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 97 10.429 8.155 -3.428 1.00 0.00 H new ATOM 0 HB VAL A 97 8.014 8.866 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.328 6.643 -0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.936 6.528 -2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.611 6.286 -1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.553 8.598 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 97 10.905 8.352 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.059 9.916 -0.946 1.00 0.00 H new ATOM 1364 N GLN A 98 9.091 7.190 -5.200 1.00 0.00 N ATOM 1365 CA GLN A 98 8.337 6.592 -6.288 1.00 0.00 C ATOM 1366 C GLN A 98 7.766 5.239 -5.857 1.00 0.00 C ATOM 1367 O GLN A 98 8.498 4.381 -5.367 1.00 0.00 O ATOM 1368 CB GLN A 98 9.203 6.447 -7.542 1.00 0.00 C ATOM 1369 CG GLN A 98 8.425 6.852 -8.795 1.00 0.00 C ATOM 1370 CD GLN A 98 9.202 6.493 -10.063 1.00 0.00 C ATOM 1371 OE1 GLN A 98 9.878 5.480 -10.142 1.00 0.00 O ATOM 1372 NE2 GLN A 98 9.069 7.377 -11.048 1.00 0.00 N ATOM 0 H GLN A 98 10.041 6.834 -5.093 1.00 0.00 H new ATOM 0 HA GLN A 98 7.507 7.254 -6.535 1.00 0.00 H new ATOM 0 HB2 GLN A 98 10.094 7.067 -7.447 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.541 5.415 -7.637 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.457 6.352 -8.804 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.230 7.924 -8.775 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.487 8.204 -10.916 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.549 7.227 -11.936 1.00 0.00 H new ATOM 1381 N MET A 99 6.465 5.091 -6.056 1.00 0.00 N ATOM 1382 CA MET A 99 5.788 3.858 -5.694 1.00 0.00 C ATOM 1383 C MET A 99 4.924 3.347 -6.849 1.00 0.00 C ATOM 1384 O MET A 99 3.960 4.000 -7.244 1.00 0.00 O ATOM 1385 CB MET A 99 4.907 4.100 -4.466 1.00 0.00 C ATOM 1386 CG MET A 99 5.759 4.395 -3.230 1.00 0.00 C ATOM 1387 SD MET A 99 5.020 3.648 -1.787 1.00 0.00 S ATOM 1388 CE MET A 99 4.393 5.106 -0.970 1.00 0.00 C ATOM 0 H MET A 99 5.861 5.805 -6.464 1.00 0.00 H new ATOM 0 HA MET A 99 6.543 3.105 -5.468 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.234 4.936 -4.656 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.284 3.224 -4.282 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.768 4.009 -3.373 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.847 5.472 -3.087 1.00 0.00 H new ATOM 0 HE1 MET A 99 4.290 4.909 0.097 1.00 0.00 H new ATOM 0 HE2 MET A 99 5.085 5.934 -1.121 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.420 5.366 -1.386 1.00 0.00 H new ATOM 1398 N ARG A 100 5.301 2.183 -7.358 1.00 0.00 N ATOM 1399 CA ARG A 100 4.574 1.577 -8.460 1.00 0.00 C ATOM 1400 C ARG A 100 3.438 0.700 -7.928 1.00 0.00 C ATOM 1401 O ARG A 100 3.680 -0.391 -7.414 1.00 0.00 O ATOM 1402 CB ARG A 100 5.501 0.726 -9.330 1.00 0.00 C ATOM 1403 CG ARG A 100 4.846 0.404 -10.675 1.00 0.00 C ATOM 1404 CD ARG A 100 5.743 -0.508 -11.516 1.00 0.00 C ATOM 1405 NE ARG A 100 6.158 0.191 -12.753 1.00 0.00 N ATOM 1406 CZ ARG A 100 6.737 -0.413 -13.799 1.00 0.00 C ATOM 1407 NH1 ARG A 100 6.973 -1.731 -13.765 1.00 0.00 N ATOM 1408 NH2 ARG A 100 7.080 0.302 -14.880 1.00 0.00 N ATOM 0 H ARG A 100 6.101 1.644 -7.027 1.00 0.00 H new ATOM 0 HA ARG A 100 4.162 2.382 -9.068 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.439 1.256 -9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.746 -0.200 -8.810 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.883 -0.079 -10.509 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.649 1.328 -11.218 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.622 -0.799 -10.940 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.210 -1.425 -11.768 1.00 0.00 H new ATOM 0 HE ARG A 100 5.993 1.196 -12.813 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.712 -2.275 -12.943 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.414 -2.191 -14.562 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.900 1.306 -14.906 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.521 -0.158 -15.677 1.00 0.00 H new ATOM 1422 N VAL A 101 2.224 1.210 -8.069 1.00 0.00 N ATOM 1423 CA VAL A 101 1.050 0.487 -7.609 1.00 0.00 C ATOM 1424 C VAL A 101 0.350 -0.156 -8.808 1.00 0.00 C ATOM 1425 O VAL A 101 0.684 0.135 -9.955 1.00 0.00 O ATOM 1426 CB VAL A 101 0.137 1.424 -6.815 1.00 0.00 C ATOM 1427 CG1 VAL A 101 0.877 2.027 -5.619 1.00 0.00 C ATOM 1428 CG2 VAL A 101 -0.440 2.519 -7.714 1.00 0.00 C ATOM 0 H VAL A 101 2.027 2.116 -8.495 1.00 0.00 H new ATOM 0 HA VAL A 101 1.337 -0.317 -6.931 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.695 0.835 -6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.206 2.689 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.215 1.228 -4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.738 2.595 -5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.085 3.171 -7.125 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.374 3.104 -8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.020 2.063 -8.516 1.00 0.00 H new ATOM 1438 N TRP A 102 -0.608 -1.018 -8.500 1.00 0.00 N ATOM 1439 CA TRP A 102 -1.357 -1.705 -9.538 1.00 0.00 C ATOM 1440 C TRP A 102 -2.846 -1.443 -9.298 1.00 0.00 C ATOM 1441 O TRP A 102 -3.358 -1.703 -8.211 1.00 0.00 O ATOM 1442 CB TRP A 102 -1.010 -3.195 -9.571 1.00 0.00 C ATOM 1443 CG TRP A 102 -1.512 -3.924 -10.819 1.00 0.00 C ATOM 1444 CD1 TRP A 102 -1.221 -3.661 -12.101 1.00 0.00 C ATOM 1445 CD2 TRP A 102 -2.410 -5.053 -10.853 1.00 0.00 C ATOM 1446 NE1 TRP A 102 -1.863 -4.535 -12.954 1.00 0.00 N ATOM 1447 CE2 TRP A 102 -2.610 -5.408 -12.171 1.00 0.00 C ATOM 1448 CE3 TRP A 102 -3.034 -5.751 -9.804 1.00 0.00 C ATOM 1449 CZ2 TRP A 102 -3.432 -6.471 -12.563 1.00 0.00 C ATOM 1450 CZ3 TRP A 102 -3.853 -6.810 -10.212 1.00 0.00 C ATOM 1451 CH2 TRP A 102 -4.064 -7.180 -11.535 1.00 0.00 C ATOM 0 H TRP A 102 -0.882 -1.256 -7.547 1.00 0.00 H new ATOM 0 HA TRP A 102 -1.090 -1.323 -10.523 1.00 0.00 H new ATOM 0 HB2 TRP A 102 0.072 -3.307 -9.508 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.432 -3.675 -8.688 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.567 -2.865 -12.425 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -1.801 -4.540 -13.972 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.892 -5.491 -8.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.571 -6.730 -13.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -4.356 -7.380 -9.445 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.713 -8.011 -11.769 1.00 0.00 H new ATOM 1462 N ARG A 103 -3.498 -0.932 -10.332 1.00 0.00 N ATOM 1463 CA ARG A 103 -4.917 -0.632 -10.247 1.00 0.00 C ATOM 1464 C ARG A 103 -5.547 -0.646 -11.641 1.00 0.00 C ATOM 1465 O ARG A 103 -4.851 -0.483 -12.642 1.00 0.00 O ATOM 1466 CB ARG A 103 -5.154 0.736 -9.603 1.00 0.00 C ATOM 1467 CG ARG A 103 -4.421 0.845 -8.264 1.00 0.00 C ATOM 1468 CD ARG A 103 -4.730 2.177 -7.577 1.00 0.00 C ATOM 1469 NE ARG A 103 -6.138 2.559 -7.823 1.00 0.00 N ATOM 1470 CZ ARG A 103 -6.555 3.238 -8.901 1.00 0.00 C ATOM 1471 NH1 ARG A 103 -5.674 3.614 -9.838 1.00 0.00 N ATOM 1472 NH2 ARG A 103 -7.852 3.541 -9.041 1.00 0.00 N ATOM 0 H ARG A 103 -3.070 -0.718 -11.233 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.381 -1.399 -9.626 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.811 1.523 -10.275 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -6.222 0.890 -9.451 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.716 0.020 -7.616 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.347 0.755 -8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -4.549 2.093 -6.505 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.063 2.953 -7.953 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.835 2.289 -7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.686 3.384 -9.731 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.991 4.131 -10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.522 3.255 -8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -8.169 4.058 -9.861 1.00 0.00 H new ATOM 1486 N GLU A 104 -6.857 -0.844 -11.662 1.00 0.00 N ATOM 1487 CA GLU A 104 -7.589 -0.882 -12.917 1.00 0.00 C ATOM 1488 C GLU A 104 -8.140 0.505 -13.252 1.00 0.00 C ATOM 1489 O GLU A 104 -8.893 1.083 -12.470 1.00 0.00 O ATOM 1490 CB GLU A 104 -8.711 -1.921 -12.866 1.00 0.00 C ATOM 1491 CG GLU A 104 -9.500 -1.940 -14.176 1.00 0.00 C ATOM 1492 CD GLU A 104 -10.790 -1.127 -14.052 1.00 0.00 C ATOM 1493 OE1 GLU A 104 -10.796 -0.196 -13.218 1.00 0.00 O ATOM 1494 OE2 GLU A 104 -11.741 -1.455 -14.794 1.00 0.00 O ATOM 0 H GLU A 104 -7.431 -0.980 -10.830 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.900 -1.178 -13.708 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.289 -2.908 -12.677 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.382 -1.697 -12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.886 -1.534 -14.980 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.739 -2.969 -14.446 1.00 0.00 H new