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 Set 1.1: A 20 THR OG1 : rot 180:sc= -0.0053 USER MOD Set 1.2: A 98 GLN : amide:sc= 0 X(o=-0.0053,f=-0.0053) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= -0.989 USER MOD Set 2.2: A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -130:sc= -0.403 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 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= -1.01 K(o=-1,f=-0.12) USER MOD Single : A 79 GLN : amide:sc=-0.00457 X(o=-0.0046,f=-0.0099) USER MOD Single : A 83 HIS : no HD1:sc= -2.06 X(o=-2.1,f=-2.5) USER MOD Single : A 84 HIS : no HE2:sc= -3.95 K(o=-3.9,f=-5.3!) USER MOD Single : A 95 THR OG1 : rot 121:sc= 0.246 USER MOD Single : A 99 MET CE :methyl -160:sc= -5.44! (180deg=-6.33!) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 13 -8.296 -6.299 -16.791 1.00 0.00 N ATOM 149 CA GLU A 13 -7.448 -6.692 -15.678 1.00 0.00 C ATOM 150 C GLU A 13 -6.634 -5.495 -15.183 1.00 0.00 C ATOM 151 O GLU A 13 -6.087 -4.738 -15.983 1.00 0.00 O ATOM 152 CB GLU A 13 -6.533 -7.854 -16.070 1.00 0.00 C ATOM 153 CG GLU A 13 -5.358 -7.364 -16.918 1.00 0.00 C ATOM 154 CD GLU A 13 -4.478 -8.534 -17.364 1.00 0.00 C ATOM 155 OE1 GLU A 13 -4.848 -9.169 -18.375 1.00 0.00 O ATOM 156 OE2 GLU A 13 -3.456 -8.767 -16.683 1.00 0.00 O ATOM 0 HA GLU A 13 -8.086 -7.034 -14.863 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.158 -8.345 -15.172 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.102 -8.598 -16.627 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.733 -6.832 -17.793 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.762 -6.654 -16.344 1.00 0.00 H new ATOM 163 N GLU A 14 -6.579 -5.362 -13.866 1.00 0.00 N ATOM 164 CA GLU A 14 -5.841 -4.270 -13.254 1.00 0.00 C ATOM 165 C GLU A 14 -4.540 -4.015 -14.019 1.00 0.00 C ATOM 166 O GLU A 14 -3.951 -4.941 -14.574 1.00 0.00 O ATOM 167 CB GLU A 14 -5.562 -4.556 -11.777 1.00 0.00 C ATOM 168 CG GLU A 14 -6.794 -4.261 -10.920 1.00 0.00 C ATOM 169 CD GLU A 14 -6.668 -4.907 -9.538 1.00 0.00 C ATOM 170 OE1 GLU A 14 -6.019 -4.278 -8.675 1.00 0.00 O ATOM 171 OE2 GLU A 14 -7.223 -6.015 -9.377 1.00 0.00 O ATOM 0 H GLU A 14 -7.034 -5.992 -13.205 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.453 -3.369 -13.306 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.270 -5.599 -11.654 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.724 -3.948 -11.437 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.917 -3.183 -10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.687 -4.635 -11.420 1.00 0.00 H new ATOM 178 N GLU A 15 -4.130 -2.755 -14.022 1.00 0.00 N ATOM 179 CA GLU A 15 -2.910 -2.367 -14.709 1.00 0.00 C ATOM 180 C GLU A 15 -1.884 -1.832 -13.707 1.00 0.00 C ATOM 181 O GLU A 15 -2.226 -1.530 -12.565 1.00 0.00 O ATOM 182 CB GLU A 15 -3.200 -1.335 -15.801 1.00 0.00 C ATOM 183 CG GLU A 15 -4.086 -0.207 -15.267 1.00 0.00 C ATOM 184 CD GLU A 15 -4.406 0.806 -16.369 1.00 0.00 C ATOM 185 OE1 GLU A 15 -5.338 0.519 -17.150 1.00 0.00 O ATOM 186 OE2 GLU A 15 -3.712 1.845 -16.404 1.00 0.00 O ATOM 0 H GLU A 15 -4.621 -1.990 -13.560 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.491 -3.250 -15.192 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.263 -0.921 -16.174 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.692 -1.820 -16.644 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.012 -0.623 -14.871 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.583 0.295 -14.441 1.00 0.00 H new ATOM 193 N GLU A 16 -0.648 -1.732 -14.172 1.00 0.00 N ATOM 194 CA GLU A 16 0.430 -1.239 -13.332 1.00 0.00 C ATOM 195 C GLU A 16 0.489 0.289 -13.385 1.00 0.00 C ATOM 196 O GLU A 16 0.314 0.884 -14.448 1.00 0.00 O ATOM 197 CB GLU A 16 1.770 -1.854 -13.741 1.00 0.00 C ATOM 198 CG GLU A 16 2.061 -3.121 -12.935 1.00 0.00 C ATOM 199 CD GLU A 16 1.838 -4.374 -13.784 1.00 0.00 C ATOM 200 OE1 GLU A 16 0.841 -4.379 -14.537 1.00 0.00 O ATOM 201 OE2 GLU A 16 2.670 -5.299 -13.660 1.00 0.00 O ATOM 0 H GLU A 16 -0.369 -1.984 -15.120 1.00 0.00 H new ATOM 0 HA GLU A 16 0.229 -1.540 -12.304 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.756 -2.091 -14.805 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.569 -1.129 -13.587 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.090 -3.099 -12.575 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.417 -3.153 -12.056 1.00 0.00 H new ATOM 208 N LEU A 17 0.735 0.881 -12.226 1.00 0.00 N ATOM 209 CA LEU A 17 0.819 2.328 -12.127 1.00 0.00 C ATOM 210 C LEU A 17 2.045 2.708 -11.295 1.00 0.00 C ATOM 211 O LEU A 17 2.498 1.929 -10.458 1.00 0.00 O ATOM 212 CB LEU A 17 -0.492 2.905 -11.589 1.00 0.00 C ATOM 213 CG LEU A 17 -1.770 2.186 -12.025 1.00 0.00 C ATOM 214 CD1 LEU A 17 -2.910 2.448 -11.038 1.00 0.00 C ATOM 215 CD2 LEU A 17 -2.153 2.568 -13.456 1.00 0.00 C ATOM 0 H LEU A 17 0.879 0.385 -11.347 1.00 0.00 H new ATOM 0 HA LEU A 17 0.954 2.770 -13.114 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.449 2.899 -10.500 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.561 3.948 -11.899 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.578 1.113 -12.018 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.807 1.926 -11.371 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.626 2.087 -10.050 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.110 3.518 -10.989 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.065 2.043 -13.741 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.321 3.644 -13.513 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.347 2.290 -14.135 1.00 0.00 H new ATOM 227 N THR A 18 2.549 3.906 -11.555 1.00 0.00 N ATOM 228 CA THR A 18 3.714 4.399 -10.841 1.00 0.00 C ATOM 229 C THR A 18 3.429 5.778 -10.243 1.00 0.00 C ATOM 230 O THR A 18 3.246 6.750 -10.974 1.00 0.00 O ATOM 231 CB THR A 18 4.900 4.389 -11.807 1.00 0.00 C ATOM 232 OG1 THR A 18 4.764 3.158 -12.512 1.00 0.00 O ATOM 233 CG2 THR A 18 6.243 4.258 -11.085 1.00 0.00 C ATOM 0 H THR A 18 2.171 4.549 -12.251 1.00 0.00 H new ATOM 0 HA THR A 18 3.960 3.757 -9.995 1.00 0.00 H new ATOM 0 HB THR A 18 4.893 5.305 -12.398 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.618 2.677 -12.499 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.051 4.256 -11.817 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.373 5.098 -10.403 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.263 3.326 -10.520 1.00 0.00 H new ATOM 241 N LEU A 19 3.400 5.819 -8.919 1.00 0.00 N ATOM 242 CA LEU A 19 3.141 7.063 -8.214 1.00 0.00 C ATOM 243 C LEU A 19 4.442 7.571 -7.589 1.00 0.00 C ATOM 244 O LEU A 19 5.321 6.781 -7.248 1.00 0.00 O ATOM 245 CB LEU A 19 2.005 6.880 -7.206 1.00 0.00 C ATOM 246 CG LEU A 19 0.609 6.672 -7.798 1.00 0.00 C ATOM 247 CD1 LEU A 19 -0.305 5.949 -6.806 1.00 0.00 C ATOM 248 CD2 LEU A 19 0.010 7.999 -8.268 1.00 0.00 C ATOM 0 H LEU A 19 3.552 5.011 -8.316 1.00 0.00 H new ATOM 0 HA LEU A 19 2.800 7.831 -8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.241 6.024 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.976 7.756 -6.558 1.00 0.00 H new ATOM 0 HG LEU A 19 0.701 6.032 -8.675 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.291 5.814 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.120 4.975 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.396 6.542 -5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.982 7.823 -8.684 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.067 8.683 -7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.652 8.438 -9.032 1.00 0.00 H new ATOM 260 N THR A 20 4.523 8.887 -7.458 1.00 0.00 N ATOM 261 CA THR A 20 5.702 9.510 -6.880 1.00 0.00 C ATOM 262 C THR A 20 5.304 10.453 -5.743 1.00 0.00 C ATOM 263 O THR A 20 4.713 11.505 -5.982 1.00 0.00 O ATOM 264 CB THR A 20 6.469 10.206 -8.006 1.00 0.00 C ATOM 265 OG1 THR A 20 6.458 9.259 -9.071 1.00 0.00 O ATOM 266 CG2 THR A 20 7.954 10.383 -7.681 1.00 0.00 C ATOM 0 H THR A 20 3.792 9.539 -7.742 1.00 0.00 H new ATOM 0 HA THR A 20 6.360 8.768 -6.429 1.00 0.00 H new ATOM 0 HB THR A 20 6.021 11.180 -8.201 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.933 9.630 -9.843 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.452 10.882 -8.513 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.060 10.987 -6.780 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.410 9.406 -7.519 1.00 0.00 H new ATOM 274 N ILE A 21 5.643 10.042 -4.530 1.00 0.00 N ATOM 275 CA ILE A 21 5.328 10.837 -3.355 1.00 0.00 C ATOM 276 C ILE A 21 6.563 11.643 -2.944 1.00 0.00 C ATOM 277 O ILE A 21 7.685 11.294 -3.307 1.00 0.00 O ATOM 278 CB ILE A 21 4.774 9.949 -2.239 1.00 0.00 C ATOM 279 CG1 ILE A 21 3.670 9.030 -2.767 1.00 0.00 C ATOM 280 CG2 ILE A 21 4.302 10.790 -1.052 1.00 0.00 C ATOM 281 CD1 ILE A 21 3.748 7.649 -2.114 1.00 0.00 C ATOM 0 H ILE A 21 6.133 9.169 -4.335 1.00 0.00 H new ATOM 0 HA ILE A 21 4.539 11.554 -3.581 1.00 0.00 H new ATOM 0 HB ILE A 21 5.580 9.310 -1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.695 9.476 -2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.761 8.931 -3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.913 10.134 -0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.140 11.365 -0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.516 11.471 -1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.953 7.015 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.715 7.196 -2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.632 7.750 -1.035 1.00 0.00 H new ATOM 293 N LEU A 22 6.313 12.705 -2.192 1.00 0.00 N ATOM 294 CA LEU A 22 7.390 13.563 -1.728 1.00 0.00 C ATOM 295 C LEU A 22 7.555 13.394 -0.216 1.00 0.00 C ATOM 296 O LEU A 22 6.580 13.465 0.530 1.00 0.00 O ATOM 297 CB LEU A 22 7.148 15.009 -2.163 1.00 0.00 C ATOM 298 CG LEU A 22 7.705 16.091 -1.234 1.00 0.00 C ATOM 299 CD1 LEU A 22 9.115 15.733 -0.760 1.00 0.00 C ATOM 300 CD2 LEU A 22 7.657 17.466 -1.904 1.00 0.00 C ATOM 0 H LEU A 22 5.381 12.991 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 22 8.335 13.271 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.584 15.148 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.074 15.162 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 22 7.071 16.142 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.488 16.518 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.088 14.787 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.776 15.638 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.058 18.217 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.254 17.447 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.625 17.715 -2.151 1.00 0.00 H new ATOM 312 N ARG A 23 8.797 13.174 0.191 1.00 0.00 N ATOM 313 CA ARG A 23 9.102 12.995 1.600 1.00 0.00 C ATOM 314 C ARG A 23 8.873 14.302 2.363 1.00 0.00 C ATOM 315 O ARG A 23 9.805 15.078 2.565 1.00 0.00 O ATOM 316 CB ARG A 23 10.550 12.544 1.797 1.00 0.00 C ATOM 317 CG ARG A 23 10.689 11.677 3.050 1.00 0.00 C ATOM 318 CD ARG A 23 11.929 10.784 2.964 1.00 0.00 C ATOM 319 NE ARG A 23 12.456 10.517 4.321 1.00 0.00 N ATOM 320 CZ ARG A 23 13.289 11.336 4.977 1.00 0.00 C ATOM 321 NH1 ARG A 23 13.695 12.478 4.406 1.00 0.00 N ATOM 322 NH2 ARG A 23 13.716 11.013 6.206 1.00 0.00 N ATOM 0 H ARG A 23 9.604 13.116 -0.431 1.00 0.00 H new ATOM 0 HA ARG A 23 8.437 12.223 1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.882 11.983 0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.198 13.416 1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.756 12.314 3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.799 11.059 3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.677 9.845 2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.694 11.268 2.357 1.00 0.00 H new ATOM 0 HE ARG A 23 12.167 9.656 4.786 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.370 12.724 3.471 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.329 13.101 4.906 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.407 10.144 6.641 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.350 11.636 6.706 1.00 0.00 H new ATOM 381 N LEU A 28 6.037 9.547 5.094 1.00 0.00 N ATOM 382 CA LEU A 28 4.898 9.149 4.284 1.00 0.00 C ATOM 383 C LEU A 28 3.635 9.163 5.147 1.00 0.00 C ATOM 384 O LEU A 28 3.703 9.409 6.350 1.00 0.00 O ATOM 385 CB LEU A 28 5.166 7.803 3.608 1.00 0.00 C ATOM 386 CG LEU A 28 6.455 7.709 2.788 1.00 0.00 C ATOM 387 CD1 LEU A 28 6.681 6.283 2.283 1.00 0.00 C ATOM 388 CD2 LEU A 28 6.454 8.728 1.647 1.00 0.00 C ATOM 0 HA LEU A 28 4.739 9.860 3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.191 7.031 4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.325 7.574 2.954 1.00 0.00 H new ATOM 0 HG LEU A 28 7.293 7.956 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.603 6.244 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.757 5.604 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.844 5.983 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.381 8.640 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.606 8.536 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.374 9.734 2.058 1.00 0.00 H new ATOM 400 N GLY A 29 2.511 8.895 4.499 1.00 0.00 N ATOM 401 CA GLY A 29 1.234 8.873 5.192 1.00 0.00 C ATOM 402 C GLY A 29 0.341 7.749 4.662 1.00 0.00 C ATOM 403 O GLY A 29 -0.795 7.993 4.258 1.00 0.00 O ATOM 0 H GLY A 29 2.458 8.691 3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.399 8.738 6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.731 9.832 5.066 1.00 0.00 H new ATOM 407 N ILE A 30 0.889 6.543 4.679 1.00 0.00 N ATOM 408 CA ILE A 30 0.157 5.382 4.205 1.00 0.00 C ATOM 409 C ILE A 30 0.564 4.157 5.026 1.00 0.00 C ATOM 410 O ILE A 30 1.653 4.123 5.598 1.00 0.00 O ATOM 411 CB ILE A 30 0.351 5.204 2.698 1.00 0.00 C ATOM 412 CG1 ILE A 30 1.837 5.204 2.333 1.00 0.00 C ATOM 413 CG2 ILE A 30 -0.431 6.261 1.916 1.00 0.00 C ATOM 414 CD1 ILE A 30 2.256 3.857 1.740 1.00 0.00 C ATOM 0 H ILE A 30 1.832 6.345 5.014 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.914 5.522 4.351 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.050 4.231 2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.039 6.000 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.433 5.416 3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.276 6.112 0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.493 6.171 2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.082 7.254 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.316 3.884 1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.075 3.067 2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.675 3.660 0.839 1.00 0.00 H new ATOM 426 N SER A 31 -0.331 3.181 5.059 1.00 0.00 N ATOM 427 CA SER A 31 -0.078 1.957 5.801 1.00 0.00 C ATOM 428 C SER A 31 -0.050 0.763 4.846 1.00 0.00 C ATOM 429 O SER A 31 -0.782 0.736 3.857 1.00 0.00 O ATOM 430 CB SER A 31 -1.134 1.744 6.887 1.00 0.00 C ATOM 431 OG SER A 31 -1.098 0.420 7.414 1.00 0.00 O ATOM 0 H SER A 31 -1.233 3.213 4.584 1.00 0.00 H new ATOM 0 HA SER A 31 0.893 2.046 6.289 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.974 2.460 7.693 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.123 1.944 6.475 1.00 0.00 H new ATOM 0 HG SER A 31 -1.786 0.324 8.105 1.00 0.00 H new ATOM 437 N ILE A 32 0.802 -0.197 5.174 1.00 0.00 N ATOM 438 CA ILE A 32 0.935 -1.392 4.357 1.00 0.00 C ATOM 439 C ILE A 32 0.445 -2.604 5.151 1.00 0.00 C ATOM 440 O ILE A 32 0.419 -2.576 6.381 1.00 0.00 O ATOM 441 CB ILE A 32 2.369 -1.532 3.843 1.00 0.00 C ATOM 442 CG1 ILE A 32 3.347 -1.755 4.999 1.00 0.00 C ATOM 443 CG2 ILE A 32 2.764 -0.330 2.982 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.622 -2.447 4.513 1.00 0.00 C ATOM 0 H ILE A 32 1.407 -0.172 5.995 1.00 0.00 H new ATOM 0 HA ILE A 32 0.308 -1.318 3.468 1.00 0.00 H new ATOM 0 HB ILE A 32 2.418 -2.414 3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.600 -0.798 5.456 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.872 -2.361 5.770 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.788 -0.455 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.092 -0.259 2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.694 0.582 3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.300 -2.593 5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.368 -3.414 4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.108 -1.827 3.759 1.00 0.00 H new ATOM 456 N ALA A 33 0.068 -3.640 4.416 1.00 0.00 N ATOM 457 CA ALA A 33 -0.420 -4.860 5.036 1.00 0.00 C ATOM 458 C ALA A 33 -0.193 -6.036 4.085 1.00 0.00 C ATOM 459 O ALA A 33 -0.200 -5.865 2.867 1.00 0.00 O ATOM 460 CB ALA A 33 -1.893 -4.688 5.411 1.00 0.00 C ATOM 0 H ALA A 33 0.091 -3.660 3.396 1.00 0.00 H new ATOM 0 HA ALA A 33 0.127 -5.070 5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.259 -5.603 5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.996 -3.859 6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.475 -4.479 4.513 1.00 0.00 H new ATOM 466 N GLY A 34 0.002 -7.206 4.677 1.00 0.00 N ATOM 467 CA GLY A 34 0.230 -8.410 3.897 1.00 0.00 C ATOM 468 C GLY A 34 1.723 -8.732 3.809 1.00 0.00 C ATOM 469 O GLY A 34 2.447 -8.613 4.796 1.00 0.00 O ATOM 0 H GLY A 34 0.007 -7.345 5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.300 -9.247 4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.177 -8.281 2.894 1.00 0.00 H new ATOM 473 N GLY A 35 2.140 -9.132 2.616 1.00 0.00 N ATOM 474 CA GLY A 35 3.534 -9.471 2.386 1.00 0.00 C ATOM 475 C GLY A 35 3.687 -10.953 2.037 1.00 0.00 C ATOM 476 O GLY A 35 3.043 -11.447 1.113 1.00 0.00 O ATOM 0 H GLY A 35 1.537 -9.229 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.932 -8.860 1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.120 -9.241 3.276 1.00 0.00 H new ATOM 480 N LYS A 36 4.544 -11.621 2.795 1.00 0.00 N ATOM 481 CA LYS A 36 4.790 -13.036 2.578 1.00 0.00 C ATOM 482 C LYS A 36 4.704 -13.776 3.915 1.00 0.00 C ATOM 483 O LYS A 36 5.326 -13.368 4.895 1.00 0.00 O ATOM 484 CB LYS A 36 6.117 -13.243 1.845 1.00 0.00 C ATOM 485 CG LYS A 36 6.557 -14.707 1.910 1.00 0.00 C ATOM 486 CD LYS A 36 7.654 -14.996 0.883 1.00 0.00 C ATOM 487 CE LYS A 36 7.110 -14.897 -0.543 1.00 0.00 C ATOM 488 NZ LYS A 36 8.109 -15.396 -1.515 1.00 0.00 N ATOM 0 H LYS A 36 5.077 -11.208 3.561 1.00 0.00 H new ATOM 0 HA LYS A 36 4.024 -13.460 1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.013 -12.937 0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.884 -12.609 2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.922 -14.937 2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.701 -15.356 1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.474 -14.290 1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.062 -15.993 1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.190 -15.476 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.858 -13.861 -0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.724 -15.322 -2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.977 -14.827 -1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.330 -16.391 -1.306 1.00 0.00 H new ATOM 502 N GLY A 37 3.929 -14.850 3.912 1.00 0.00 N ATOM 503 CA GLY A 37 3.754 -15.650 5.112 1.00 0.00 C ATOM 504 C GLY A 37 2.638 -15.082 5.992 1.00 0.00 C ATOM 505 O GLY A 37 1.690 -15.788 6.331 1.00 0.00 O ATOM 0 H GLY A 37 3.415 -15.185 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.517 -16.678 4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.687 -15.677 5.674 1.00 0.00 H new ATOM 509 N SER A 38 2.789 -13.811 6.335 1.00 0.00 N ATOM 510 CA SER A 38 1.806 -13.140 7.169 1.00 0.00 C ATOM 511 C SER A 38 0.439 -13.156 6.482 1.00 0.00 C ATOM 512 O SER A 38 0.323 -13.574 5.331 1.00 0.00 O ATOM 513 CB SER A 38 2.231 -11.702 7.472 1.00 0.00 C ATOM 514 OG SER A 38 2.513 -11.509 8.856 1.00 0.00 O ATOM 0 H SER A 38 3.577 -13.229 6.051 1.00 0.00 H new ATOM 0 HA SER A 38 1.736 -13.677 8.115 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.114 -11.453 6.884 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.440 -11.018 7.164 1.00 0.00 H new ATOM 0 HG SER A 38 2.782 -10.579 9.008 1.00 0.00 H new ATOM 520 N THR A 39 -0.562 -12.695 7.217 1.00 0.00 N ATOM 521 CA THR A 39 -1.917 -12.651 6.693 1.00 0.00 C ATOM 522 C THR A 39 -2.024 -11.608 5.579 1.00 0.00 C ATOM 523 O THR A 39 -1.507 -10.499 5.709 1.00 0.00 O ATOM 524 CB THR A 39 -2.868 -12.390 7.863 1.00 0.00 C ATOM 525 OG1 THR A 39 -2.786 -13.576 8.648 1.00 0.00 O ATOM 526 CG2 THR A 39 -4.333 -12.334 7.425 1.00 0.00 C ATOM 0 H THR A 39 -0.462 -12.349 8.171 1.00 0.00 H new ATOM 0 HA THR A 39 -2.195 -13.600 6.235 1.00 0.00 H new ATOM 0 HB THR A 39 -2.598 -11.452 8.348 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.371 -13.492 9.430 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.965 -12.147 8.293 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.465 -11.531 6.699 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.613 -13.284 6.970 1.00 0.00 H new ATOM 534 N PRO A 40 -2.716 -12.011 4.479 1.00 0.00 N ATOM 535 CA PRO A 40 -2.897 -11.124 3.343 1.00 0.00 C ATOM 536 C PRO A 40 -3.941 -10.048 3.648 1.00 0.00 C ATOM 537 O PRO A 40 -4.633 -10.119 4.663 1.00 0.00 O ATOM 538 CB PRO A 40 -3.301 -12.034 2.194 1.00 0.00 C ATOM 539 CG PRO A 40 -3.781 -13.326 2.835 1.00 0.00 C ATOM 540 CD PRO A 40 -3.341 -13.316 4.290 1.00 0.00 C ATOM 0 HA PRO A 40 -1.993 -10.568 3.095 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.089 -11.579 1.594 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.459 -12.218 1.527 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.866 -13.407 2.765 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.363 -14.188 2.316 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.189 -13.450 4.961 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.640 -14.125 4.497 1.00 0.00 H new ATOM 548 N TYR A 41 -4.022 -9.075 2.752 1.00 0.00 N ATOM 549 CA TYR A 41 -4.969 -7.986 2.913 1.00 0.00 C ATOM 550 C TYR A 41 -6.254 -8.256 2.127 1.00 0.00 C ATOM 551 O TYR A 41 -7.341 -7.872 2.556 1.00 0.00 O ATOM 552 CB TYR A 41 -4.285 -6.743 2.338 1.00 0.00 C ATOM 553 CG TYR A 41 -5.188 -5.509 2.275 1.00 0.00 C ATOM 554 CD1 TYR A 41 -5.984 -5.293 1.169 1.00 0.00 C ATOM 555 CD2 TYR A 41 -5.205 -4.613 3.324 1.00 0.00 C ATOM 556 CE1 TYR A 41 -6.833 -4.132 1.109 1.00 0.00 C ATOM 557 CE2 TYR A 41 -6.054 -3.451 3.264 1.00 0.00 C ATOM 558 CZ TYR A 41 -6.826 -3.268 2.160 1.00 0.00 C ATOM 559 OH TYR A 41 -7.628 -2.171 2.103 1.00 0.00 O ATOM 0 H TYR A 41 -3.447 -9.019 1.912 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.241 -7.866 3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.410 -6.509 2.944 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.926 -6.970 1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.970 -5.995 0.348 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.582 -4.783 4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.461 -3.951 0.249 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.077 -2.741 4.078 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.521 -1.644 2.923 1.00 0.00 H new ATOM 569 N LYS A 42 -6.086 -8.913 0.989 1.00 0.00 N ATOM 570 CA LYS A 42 -7.218 -9.239 0.138 1.00 0.00 C ATOM 571 C LYS A 42 -7.563 -10.721 0.300 1.00 0.00 C ATOM 572 O LYS A 42 -8.494 -11.070 1.024 1.00 0.00 O ATOM 573 CB LYS A 42 -6.938 -8.827 -1.308 1.00 0.00 C ATOM 574 CG LYS A 42 -6.996 -7.306 -1.467 1.00 0.00 C ATOM 575 CD LYS A 42 -7.696 -6.917 -2.771 1.00 0.00 C ATOM 576 CE LYS A 42 -7.164 -5.585 -3.301 1.00 0.00 C ATOM 577 NZ LYS A 42 -7.370 -5.490 -4.764 1.00 0.00 N ATOM 0 H LYS A 42 -5.183 -9.229 0.636 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.098 -8.672 0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.956 -9.190 -1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.667 -9.293 -1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.526 -6.868 -0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.986 -6.897 -1.456 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.543 -7.697 -3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.770 -6.843 -2.603 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.671 -4.759 -2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.103 -5.493 -3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.003 -4.580 -5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.866 -6.267 -5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.386 -5.556 -4.977 1.00 0.00 H new ATOM 591 N GLY A 43 -6.793 -11.553 -0.385 1.00 0.00 N ATOM 592 CA GLY A 43 -7.005 -12.989 -0.327 1.00 0.00 C ATOM 593 C GLY A 43 -5.671 -13.738 -0.279 1.00 0.00 C ATOM 594 O GLY A 43 -4.710 -13.264 0.324 1.00 0.00 O ATOM 0 H GLY A 43 -6.021 -11.260 -0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.598 -13.238 0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.576 -13.311 -1.197 1.00 0.00 H new ATOM 598 N ASP A 44 -5.657 -14.896 -0.922 1.00 0.00 N ATOM 599 CA ASP A 44 -4.458 -15.716 -0.961 1.00 0.00 C ATOM 600 C ASP A 44 -3.458 -15.103 -1.943 1.00 0.00 C ATOM 601 O ASP A 44 -3.233 -15.644 -3.025 1.00 0.00 O ATOM 602 CB ASP A 44 -4.776 -17.136 -1.434 1.00 0.00 C ATOM 603 CG ASP A 44 -5.416 -17.227 -2.821 1.00 0.00 C ATOM 604 OD1 ASP A 44 -6.380 -16.465 -3.052 1.00 0.00 O ATOM 605 OD2 ASP A 44 -4.928 -18.056 -3.618 1.00 0.00 O ATOM 0 H ASP A 44 -6.457 -15.286 -1.420 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.044 -15.756 0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.854 -17.717 -1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.444 -17.603 -0.711 1.00 0.00 H new ATOM 610 N ASP A 45 -2.883 -13.983 -1.531 1.00 0.00 N ATOM 611 CA ASP A 45 -1.912 -13.290 -2.361 1.00 0.00 C ATOM 612 C ASP A 45 -0.827 -12.682 -1.470 1.00 0.00 C ATOM 613 O ASP A 45 -1.084 -11.729 -0.735 1.00 0.00 O ATOM 614 CB ASP A 45 -2.570 -12.155 -3.148 1.00 0.00 C ATOM 615 CG ASP A 45 -2.760 -12.428 -4.641 1.00 0.00 C ATOM 616 OD1 ASP A 45 -2.716 -13.621 -5.010 1.00 0.00 O ATOM 617 OD2 ASP A 45 -2.945 -11.437 -5.380 1.00 0.00 O ATOM 0 H ASP A 45 -3.071 -13.538 -0.633 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.488 -14.013 -3.058 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.544 -11.944 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.966 -11.255 -3.033 1.00 0.00 H new ATOM 622 N GLU A 46 0.363 -13.257 -1.565 1.00 0.00 N ATOM 623 CA GLU A 46 1.487 -12.783 -0.776 1.00 0.00 C ATOM 624 C GLU A 46 2.036 -11.481 -1.363 1.00 0.00 C ATOM 625 O GLU A 46 3.220 -11.392 -1.686 1.00 0.00 O ATOM 626 CB GLU A 46 2.582 -13.848 -0.687 1.00 0.00 C ATOM 627 CG GLU A 46 2.070 -15.102 0.025 1.00 0.00 C ATOM 628 CD GLU A 46 2.496 -16.369 -0.721 1.00 0.00 C ATOM 629 OE1 GLU A 46 3.659 -16.780 -0.521 1.00 0.00 O ATOM 630 OE2 GLU A 46 1.649 -16.896 -1.474 1.00 0.00 O ATOM 0 H GLU A 46 0.573 -14.046 -2.176 1.00 0.00 H new ATOM 0 HA GLU A 46 1.136 -12.583 0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.924 -14.108 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.442 -13.447 -0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.456 -15.129 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.983 -15.066 0.096 1.00 0.00 H new ATOM 637 N GLY A 47 1.149 -10.504 -1.484 1.00 0.00 N ATOM 638 CA GLY A 47 1.530 -9.211 -2.027 1.00 0.00 C ATOM 639 C GLY A 47 1.288 -8.096 -1.008 1.00 0.00 C ATOM 640 O GLY A 47 0.503 -8.262 -0.075 1.00 0.00 O ATOM 0 H GLY A 47 0.168 -10.582 -1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.582 -9.227 -2.311 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.959 -9.011 -2.933 1.00 0.00 H new ATOM 644 N ILE A 48 1.976 -6.984 -1.220 1.00 0.00 N ATOM 645 CA ILE A 48 1.846 -5.842 -0.332 1.00 0.00 C ATOM 646 C ILE A 48 0.766 -4.901 -0.872 1.00 0.00 C ATOM 647 O ILE A 48 0.811 -4.502 -2.034 1.00 0.00 O ATOM 648 CB ILE A 48 3.203 -5.166 -0.125 1.00 0.00 C ATOM 649 CG1 ILE A 48 4.132 -6.046 0.714 1.00 0.00 C ATOM 650 CG2 ILE A 48 3.034 -3.771 0.480 1.00 0.00 C ATOM 651 CD1 ILE A 48 3.644 -6.134 2.161 1.00 0.00 C ATOM 0 H ILE A 48 2.626 -6.850 -1.995 1.00 0.00 H new ATOM 0 HA ILE A 48 1.523 -6.165 0.658 1.00 0.00 H new ATOM 0 HB ILE A 48 3.674 -5.039 -1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.181 -7.045 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.143 -5.639 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.013 -3.313 0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.435 -3.154 -0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.533 -3.851 1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.322 -6.765 2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.619 -5.136 2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.643 -6.564 2.182 1.00 0.00 H new ATOM 663 N PHE A 49 -0.178 -4.575 -0.002 1.00 0.00 N ATOM 664 CA PHE A 49 -1.267 -3.689 -0.377 1.00 0.00 C ATOM 665 C PHE A 49 -1.437 -2.565 0.647 1.00 0.00 C ATOM 666 O PHE A 49 -1.034 -2.705 1.801 1.00 0.00 O ATOM 667 CB PHE A 49 -2.542 -4.535 -0.405 1.00 0.00 C ATOM 668 CG PHE A 49 -2.560 -5.597 -1.506 1.00 0.00 C ATOM 669 CD1 PHE A 49 -1.643 -6.601 -1.497 1.00 0.00 C ATOM 670 CD2 PHE A 49 -3.493 -5.537 -2.494 1.00 0.00 C ATOM 671 CE1 PHE A 49 -1.660 -7.587 -2.519 1.00 0.00 C ATOM 672 CE2 PHE A 49 -3.510 -6.522 -3.516 1.00 0.00 C ATOM 673 CZ PHE A 49 -2.593 -7.527 -3.507 1.00 0.00 C ATOM 0 H PHE A 49 -0.212 -4.908 0.961 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.060 -3.233 -1.345 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.661 -5.026 0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.400 -3.876 -0.536 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.902 -6.649 -0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.221 -4.740 -2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.932 -8.385 -2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.251 -6.474 -4.301 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.606 -8.277 -4.284 1.00 0.00 H new ATOM 683 N ILE A 50 -2.036 -1.476 0.189 1.00 0.00 N ATOM 684 CA ILE A 50 -2.264 -0.329 1.051 1.00 0.00 C ATOM 685 C ILE A 50 -3.318 -0.687 2.101 1.00 0.00 C ATOM 686 O ILE A 50 -4.363 -1.245 1.771 1.00 0.00 O ATOM 687 CB ILE A 50 -2.620 0.905 0.218 1.00 0.00 C ATOM 688 CG1 ILE A 50 -1.501 1.241 -0.769 1.00 0.00 C ATOM 689 CG2 ILE A 50 -2.967 2.092 1.118 1.00 0.00 C ATOM 690 CD1 ILE A 50 -0.133 1.189 -0.086 1.00 0.00 C ATOM 0 H ILE A 50 -2.370 -1.364 -0.768 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.352 -0.070 1.589 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.509 0.676 -0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.523 0.538 -1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.666 2.234 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.216 2.956 0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.821 1.836 1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.112 2.332 1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.645 1.432 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.106 1.910 0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.039 0.188 0.309 1.00 0.00 H new ATOM 702 N SER A 51 -3.007 -0.350 3.344 1.00 0.00 N ATOM 703 CA SER A 51 -3.914 -0.630 4.444 1.00 0.00 C ATOM 704 C SER A 51 -4.669 0.642 4.835 1.00 0.00 C ATOM 705 O SER A 51 -5.831 0.580 5.234 1.00 0.00 O ATOM 706 CB SER A 51 -3.159 -1.191 5.651 1.00 0.00 C ATOM 707 OG SER A 51 -3.946 -1.150 6.838 1.00 0.00 O ATOM 0 H SER A 51 -2.140 0.114 3.614 1.00 0.00 H new ATOM 0 HA SER A 51 -4.629 -1.384 4.115 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.863 -2.220 5.447 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.243 -0.620 5.803 1.00 0.00 H new ATOM 0 HG SER A 51 -3.430 -1.518 7.586 1.00 0.00 H new ATOM 713 N ARG A 52 -3.979 1.766 4.707 1.00 0.00 N ATOM 714 CA ARG A 52 -4.570 3.050 5.041 1.00 0.00 C ATOM 715 C ARG A 52 -3.874 4.172 4.269 1.00 0.00 C ATOM 716 O ARG A 52 -2.708 4.045 3.898 1.00 0.00 O ATOM 717 CB ARG A 52 -4.463 3.331 6.542 1.00 0.00 C ATOM 718 CG ARG A 52 -5.215 4.610 6.914 1.00 0.00 C ATOM 719 CD ARG A 52 -6.707 4.481 6.602 1.00 0.00 C ATOM 720 NE ARG A 52 -7.505 4.768 7.815 1.00 0.00 N ATOM 721 CZ ARG A 52 -8.815 5.049 7.804 1.00 0.00 C ATOM 722 NH1 ARG A 52 -9.483 5.082 6.643 1.00 0.00 N ATOM 723 NH2 ARG A 52 -9.457 5.296 8.953 1.00 0.00 N ATOM 0 H ARG A 52 -3.015 1.814 4.376 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.623 3.013 4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.869 2.490 7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.414 3.426 6.824 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.079 4.820 7.975 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.797 5.454 6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.981 5.172 5.805 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.926 3.476 6.242 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.028 4.751 8.716 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.994 4.893 5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.480 5.296 6.634 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.949 5.270 9.837 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.454 5.510 8.944 1.00 0.00 H new ATOM 737 N VAL A 53 -4.619 5.246 4.048 1.00 0.00 N ATOM 738 CA VAL A 53 -4.088 6.389 3.326 1.00 0.00 C ATOM 739 C VAL A 53 -4.534 7.677 4.022 1.00 0.00 C ATOM 740 O VAL A 53 -5.701 8.057 3.943 1.00 0.00 O ATOM 741 CB VAL A 53 -4.513 6.325 1.858 1.00 0.00 C ATOM 742 CG1 VAL A 53 -4.513 7.718 1.225 1.00 0.00 C ATOM 743 CG2 VAL A 53 -3.618 5.365 1.070 1.00 0.00 C ATOM 0 H VAL A 53 -5.586 5.348 4.357 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.998 6.374 3.335 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.532 5.941 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.819 7.643 0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.210 8.362 1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.511 8.143 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.941 5.338 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.584 5.707 1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.690 4.365 1.499 1.00 0.00 H new ATOM 753 N SER A 54 -3.581 8.314 4.686 1.00 0.00 N ATOM 754 CA SER A 54 -3.861 9.551 5.394 1.00 0.00 C ATOM 755 C SER A 54 -4.486 10.571 4.440 1.00 0.00 C ATOM 756 O SER A 54 -4.002 10.761 3.326 1.00 0.00 O ATOM 757 CB SER A 54 -2.590 10.125 6.025 1.00 0.00 C ATOM 758 OG SER A 54 -2.094 9.298 7.074 1.00 0.00 O ATOM 0 H SER A 54 -2.614 7.996 4.749 1.00 0.00 H new ATOM 0 HA SER A 54 -4.566 9.333 6.196 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.823 10.237 5.258 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.797 11.121 6.416 1.00 0.00 H new ATOM 0 HG SER A 54 -1.282 9.698 7.449 1.00 0.00 H new ATOM 764 N GLU A 55 -5.553 11.198 4.912 1.00 0.00 N ATOM 765 CA GLU A 55 -6.250 12.193 4.115 1.00 0.00 C ATOM 766 C GLU A 55 -5.341 13.396 3.853 1.00 0.00 C ATOM 767 O GLU A 55 -5.141 13.789 2.705 1.00 0.00 O ATOM 768 CB GLU A 55 -7.551 12.627 4.794 1.00 0.00 C ATOM 769 CG GLU A 55 -8.756 12.362 3.889 1.00 0.00 C ATOM 770 CD GLU A 55 -9.872 13.376 4.152 1.00 0.00 C ATOM 771 OE1 GLU A 55 -9.672 14.551 3.775 1.00 0.00 O ATOM 772 OE2 GLU A 55 -10.900 12.953 4.724 1.00 0.00 O ATOM 0 H GLU A 55 -5.952 11.036 5.837 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.511 11.744 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.672 12.089 5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.502 13.688 5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.450 12.416 2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.129 11.352 4.060 1.00 0.00 H new ATOM 779 N GLU A 56 -4.814 13.946 4.937 1.00 0.00 N ATOM 780 CA GLU A 56 -3.931 15.095 4.839 1.00 0.00 C ATOM 781 C GLU A 56 -2.469 14.646 4.882 1.00 0.00 C ATOM 782 O GLU A 56 -1.695 15.116 5.716 1.00 0.00 O ATOM 783 CB GLU A 56 -4.226 16.109 5.946 1.00 0.00 C ATOM 784 CG GLU A 56 -3.544 17.449 5.659 1.00 0.00 C ATOM 785 CD GLU A 56 -3.932 18.497 6.704 1.00 0.00 C ATOM 786 OE1 GLU A 56 -5.123 18.875 6.714 1.00 0.00 O ATOM 787 OE2 GLU A 56 -3.028 18.895 7.470 1.00 0.00 O ATOM 0 H GLU A 56 -4.982 13.617 5.888 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.112 15.587 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.303 16.256 6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.880 15.719 6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.462 17.317 5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.826 17.799 4.666 1.00 0.00 H new ATOM 794 N GLY A 57 -2.133 13.742 3.974 1.00 0.00 N ATOM 795 CA GLY A 57 -0.778 13.225 3.897 1.00 0.00 C ATOM 796 C GLY A 57 -0.174 13.471 2.513 1.00 0.00 C ATOM 797 O GLY A 57 -0.829 14.033 1.637 1.00 0.00 O ATOM 0 H GLY A 57 -2.777 13.354 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.159 13.702 4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.780 12.156 4.112 1.00 0.00 H new ATOM 801 N PRO A 58 1.102 13.028 2.356 1.00 0.00 N ATOM 802 CA PRO A 58 1.802 13.195 1.093 1.00 0.00 C ATOM 803 C PRO A 58 1.291 12.202 0.047 1.00 0.00 C ATOM 804 O PRO A 58 1.119 12.556 -1.118 1.00 0.00 O ATOM 805 CB PRO A 58 3.271 13.000 1.429 1.00 0.00 C ATOM 806 CG PRO A 58 3.301 12.275 2.765 1.00 0.00 C ATOM 807 CD PRO A 58 1.909 12.358 3.371 1.00 0.00 C ATOM 0 HA PRO A 58 1.636 14.175 0.646 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.774 12.417 0.657 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.787 13.958 1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.597 11.235 2.628 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.035 12.730 3.430 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.516 11.367 3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.917 12.920 4.305 1.00 0.00 H new ATOM 815 N ALA A 59 1.062 10.978 0.502 1.00 0.00 N ATOM 816 CA ALA A 59 0.574 9.931 -0.380 1.00 0.00 C ATOM 817 C ALA A 59 -0.698 10.413 -1.081 1.00 0.00 C ATOM 818 O ALA A 59 -0.758 10.451 -2.309 1.00 0.00 O ATOM 819 CB ALA A 59 0.347 8.650 0.425 1.00 0.00 C ATOM 0 H ALA A 59 1.205 10.688 1.469 1.00 0.00 H new ATOM 0 HA ALA A 59 1.310 9.705 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.019 7.865 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.286 8.334 0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.388 8.837 1.207 1.00 0.00 H new ATOM 825 N ALA A 60 -1.683 10.769 -0.270 1.00 0.00 N ATOM 826 CA ALA A 60 -2.950 11.246 -0.797 1.00 0.00 C ATOM 827 C ALA A 60 -2.688 12.145 -2.007 1.00 0.00 C ATOM 828 O ALA A 60 -3.298 11.966 -3.061 1.00 0.00 O ATOM 829 CB ALA A 60 -3.724 11.968 0.309 1.00 0.00 C ATOM 0 H ALA A 60 -1.629 10.737 0.748 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.564 10.411 -1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.675 12.326 -0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.910 11.279 1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.139 12.814 0.669 1.00 0.00 H new ATOM 835 N ARG A 61 -1.781 13.091 -1.817 1.00 0.00 N ATOM 836 CA ARG A 61 -1.431 14.017 -2.880 1.00 0.00 C ATOM 837 C ARG A 61 -1.005 13.250 -4.133 1.00 0.00 C ATOM 838 O ARG A 61 -1.544 13.476 -5.216 1.00 0.00 O ATOM 839 CB ARG A 61 -0.294 14.946 -2.448 1.00 0.00 C ATOM 840 CG ARG A 61 -0.646 15.678 -1.152 1.00 0.00 C ATOM 841 CD ARG A 61 0.243 16.908 -0.957 1.00 0.00 C ATOM 842 NE ARG A 61 -0.581 18.137 -0.976 1.00 0.00 N ATOM 843 CZ ARG A 61 -1.218 18.631 0.094 1.00 0.00 C ATOM 844 NH1 ARG A 61 -1.128 18.004 1.275 1.00 0.00 N ATOM 845 NH2 ARG A 61 -1.943 19.752 -0.016 1.00 0.00 N ATOM 0 H ARG A 61 -1.277 13.236 -0.942 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.313 14.618 -3.100 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.619 14.368 -2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.093 15.671 -3.236 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.693 15.981 -1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.528 15.002 -0.305 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.778 16.834 -0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.995 16.952 -1.745 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.670 18.640 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.575 17.151 1.359 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.613 18.380 2.090 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.010 20.230 -0.915 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.428 20.128 0.799 1.00 0.00 H new ATOM 859 N ALA A 62 -0.042 12.360 -3.945 1.00 0.00 N ATOM 860 CA ALA A 62 0.461 11.558 -5.048 1.00 0.00 C ATOM 861 C ALA A 62 -0.717 10.957 -5.816 1.00 0.00 C ATOM 862 O ALA A 62 -0.629 10.735 -7.022 1.00 0.00 O ATOM 863 CB ALA A 62 1.413 10.489 -4.508 1.00 0.00 C ATOM 0 H ALA A 62 0.403 12.176 -3.046 1.00 0.00 H new ATOM 0 HA ALA A 62 1.026 12.176 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.791 9.887 -5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.248 10.969 -3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.880 9.848 -3.806 1.00 0.00 H new ATOM 869 N GLY A 63 -1.794 10.709 -5.084 1.00 0.00 N ATOM 870 CA GLY A 63 -2.989 10.138 -5.682 1.00 0.00 C ATOM 871 C GLY A 63 -3.086 8.639 -5.387 1.00 0.00 C ATOM 872 O GLY A 63 -3.594 7.874 -6.205 1.00 0.00 O ATOM 0 H GLY A 63 -1.864 10.893 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.872 10.646 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.974 10.300 -6.760 1.00 0.00 H new ATOM 876 N VAL A 64 -2.591 8.266 -4.216 1.00 0.00 N ATOM 877 CA VAL A 64 -2.616 6.873 -3.803 1.00 0.00 C ATOM 878 C VAL A 64 -4.031 6.504 -3.353 1.00 0.00 C ATOM 879 O VAL A 64 -4.808 7.373 -2.960 1.00 0.00 O ATOM 880 CB VAL A 64 -1.562 6.629 -2.721 1.00 0.00 C ATOM 881 CG1 VAL A 64 -1.996 7.237 -1.386 1.00 0.00 C ATOM 882 CG2 VAL A 64 -1.264 5.136 -2.572 1.00 0.00 C ATOM 0 H VAL A 64 -2.170 8.904 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.361 6.222 -4.639 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.642 7.125 -3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.229 7.049 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.134 8.312 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.935 6.784 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.512 4.991 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.177 4.609 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.891 4.743 -3.518 1.00 0.00 H new ATOM 892 N ARG A 65 -4.323 5.213 -3.426 1.00 0.00 N ATOM 893 CA ARG A 65 -5.631 4.719 -3.032 1.00 0.00 C ATOM 894 C ARG A 65 -5.492 3.395 -2.276 1.00 0.00 C ATOM 895 O ARG A 65 -4.746 2.512 -2.696 1.00 0.00 O ATOM 896 CB ARG A 65 -6.532 4.510 -4.251 1.00 0.00 C ATOM 897 CG ARG A 65 -6.903 5.848 -4.894 1.00 0.00 C ATOM 898 CD ARG A 65 -6.660 5.816 -6.404 1.00 0.00 C ATOM 899 NE ARG A 65 -6.755 7.184 -6.961 1.00 0.00 N ATOM 900 CZ ARG A 65 -6.827 7.458 -8.270 1.00 0.00 C ATOM 901 NH1 ARG A 65 -6.815 6.462 -9.166 1.00 0.00 N ATOM 902 NH2 ARG A 65 -6.912 8.730 -8.685 1.00 0.00 N ATOM 0 H ARG A 65 -3.676 4.495 -3.752 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.086 5.467 -2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.023 3.881 -4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.438 3.982 -3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.951 6.073 -4.695 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.314 6.648 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.676 5.397 -6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.392 5.167 -6.885 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.766 7.967 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.751 5.494 -8.851 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.870 6.672 -10.163 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.922 9.489 -8.004 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.967 8.939 -9.682 1.00 0.00 H new ATOM 916 N VAL A 66 -6.222 3.300 -1.175 1.00 0.00 N ATOM 917 CA VAL A 66 -6.190 2.100 -0.357 1.00 0.00 C ATOM 918 C VAL A 66 -6.576 0.893 -1.214 1.00 0.00 C ATOM 919 O VAL A 66 -7.450 0.993 -2.075 1.00 0.00 O ATOM 920 CB VAL A 66 -7.091 2.276 0.868 1.00 0.00 C ATOM 921 CG1 VAL A 66 -7.231 0.962 1.639 1.00 0.00 C ATOM 922 CG2 VAL A 66 -6.569 3.392 1.775 1.00 0.00 C ATOM 0 H VAL A 66 -6.840 4.035 -0.830 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.183 1.923 0.020 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.082 2.565 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.876 1.115 2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.669 0.204 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.248 0.630 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.227 3.497 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.563 3.145 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.545 4.330 1.221 1.00 0.00 H new ATOM 932 N GLY A 67 -5.907 -0.219 -0.950 1.00 0.00 N ATOM 933 CA GLY A 67 -6.169 -1.444 -1.686 1.00 0.00 C ATOM 934 C GLY A 67 -5.210 -1.588 -2.869 1.00 0.00 C ATOM 935 O GLY A 67 -5.225 -2.602 -3.566 1.00 0.00 O ATOM 0 H GLY A 67 -5.183 -0.298 -0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.064 -2.301 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.198 -1.444 -2.045 1.00 0.00 H new ATOM 939 N ASP A 68 -4.397 -0.559 -3.060 1.00 0.00 N ATOM 940 CA ASP A 68 -3.432 -0.559 -4.146 1.00 0.00 C ATOM 941 C ASP A 68 -2.383 -1.643 -3.891 1.00 0.00 C ATOM 942 O ASP A 68 -1.775 -1.685 -2.822 1.00 0.00 O ATOM 943 CB ASP A 68 -2.709 0.786 -4.240 1.00 0.00 C ATOM 944 CG ASP A 68 -3.384 1.821 -5.142 1.00 0.00 C ATOM 945 OD1 ASP A 68 -3.902 1.402 -6.199 1.00 0.00 O ATOM 946 OD2 ASP A 68 -3.367 3.009 -4.753 1.00 0.00 O ATOM 0 H ASP A 68 -4.387 0.280 -2.481 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.970 -0.745 -5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.619 1.204 -3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.697 0.613 -4.605 1.00 0.00 H new ATOM 951 N LYS A 69 -2.202 -2.494 -4.891 1.00 0.00 N ATOM 952 CA LYS A 69 -1.237 -3.575 -4.788 1.00 0.00 C ATOM 953 C LYS A 69 0.148 -3.055 -5.176 1.00 0.00 C ATOM 954 O LYS A 69 0.457 -2.923 -6.360 1.00 0.00 O ATOM 955 CB LYS A 69 -1.694 -4.781 -5.612 1.00 0.00 C ATOM 956 CG LYS A 69 -0.639 -5.889 -5.593 1.00 0.00 C ATOM 957 CD LYS A 69 -0.918 -6.930 -6.679 1.00 0.00 C ATOM 958 CE LYS A 69 -0.230 -8.258 -6.355 1.00 0.00 C ATOM 959 NZ LYS A 69 0.880 -8.510 -7.302 1.00 0.00 N ATOM 0 H LYS A 69 -2.707 -2.456 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.169 -3.928 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.634 -5.162 -5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.884 -4.473 -6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.350 -5.457 -5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.630 -6.371 -4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.993 -7.086 -6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.566 -6.560 -7.642 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.152 -8.237 -5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.953 -9.072 -6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.337 -9.415 -7.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.507 -8.550 -8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.578 -7.742 -7.232 1.00 0.00 H new ATOM 973 N LEU A 70 0.947 -2.774 -4.157 1.00 0.00 N ATOM 974 CA LEU A 70 2.292 -2.271 -4.376 1.00 0.00 C ATOM 975 C LEU A 70 3.113 -3.329 -5.116 1.00 0.00 C ATOM 976 O LEU A 70 2.966 -4.524 -4.861 1.00 0.00 O ATOM 977 CB LEU A 70 2.918 -1.820 -3.055 1.00 0.00 C ATOM 978 CG LEU A 70 3.544 -0.424 -3.052 1.00 0.00 C ATOM 979 CD1 LEU A 70 4.391 -0.206 -1.796 1.00 0.00 C ATOM 980 CD2 LEU A 70 4.345 -0.179 -4.333 1.00 0.00 C ATOM 0 H LEU A 70 0.688 -2.885 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 70 2.268 -1.384 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.151 -1.854 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.685 -2.541 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 70 2.739 0.311 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.825 0.794 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.763 -0.309 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.190 -0.947 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.779 0.820 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.142 -0.919 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.685 -0.264 -5.196 1.00 0.00 H new ATOM 992 N LEU A 71 3.959 -2.852 -6.017 1.00 0.00 N ATOM 993 CA LEU A 71 4.804 -3.743 -6.795 1.00 0.00 C ATOM 994 C LEU A 71 6.270 -3.350 -6.598 1.00 0.00 C ATOM 995 O LEU A 71 7.129 -4.213 -6.427 1.00 0.00 O ATOM 996 CB LEU A 71 4.363 -3.755 -8.260 1.00 0.00 C ATOM 997 CG LEU A 71 2.855 -3.681 -8.507 1.00 0.00 C ATOM 998 CD1 LEU A 71 2.555 -3.265 -9.948 1.00 0.00 C ATOM 999 CD2 LEU A 71 2.173 -5.000 -8.138 1.00 0.00 C ATOM 0 H LEU A 71 4.078 -1.861 -6.226 1.00 0.00 H new ATOM 0 HA LEU A 71 4.699 -4.770 -6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.836 -2.915 -8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.743 -4.664 -8.726 1.00 0.00 H new ATOM 0 HG LEU A 71 2.440 -2.911 -7.856 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.476 -3.220 -10.097 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.989 -2.284 -10.141 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.986 -3.994 -10.634 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.102 -4.920 -8.323 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.587 -5.806 -8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.344 -5.215 -7.083 1.00 0.00 H new ATOM 1011 N GLU A 72 6.509 -2.048 -6.627 1.00 0.00 N ATOM 1012 CA GLU A 72 7.856 -1.530 -6.454 1.00 0.00 C ATOM 1013 C GLU A 72 7.817 -0.180 -5.736 1.00 0.00 C ATOM 1014 O GLU A 72 6.862 0.580 -5.886 1.00 0.00 O ATOM 1015 CB GLU A 72 8.577 -1.417 -7.798 1.00 0.00 C ATOM 1016 CG GLU A 72 9.689 -0.367 -7.737 1.00 0.00 C ATOM 1017 CD GLU A 72 9.128 1.040 -7.953 1.00 0.00 C ATOM 1018 OE1 GLU A 72 8.792 1.344 -9.117 1.00 0.00 O ATOM 1019 OE2 GLU A 72 9.048 1.779 -6.948 1.00 0.00 O ATOM 0 H GLU A 72 5.793 -1.335 -6.768 1.00 0.00 H new ATOM 0 HA GLU A 72 8.418 -2.231 -5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.000 -2.384 -8.071 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.863 -1.150 -8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.190 -0.418 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.440 -0.583 -8.497 1.00 0.00 H new ATOM 1026 N VAL A 73 8.868 0.078 -4.972 1.00 0.00 N ATOM 1027 CA VAL A 73 8.967 1.324 -4.231 1.00 0.00 C ATOM 1028 C VAL A 73 10.392 1.869 -4.344 1.00 0.00 C ATOM 1029 O VAL A 73 11.334 1.266 -3.832 1.00 0.00 O ATOM 1030 CB VAL A 73 8.523 1.108 -2.782 1.00 0.00 C ATOM 1031 CG1 VAL A 73 9.001 2.252 -1.886 1.00 0.00 C ATOM 1032 CG2 VAL A 73 7.005 0.939 -2.693 1.00 0.00 C ATOM 0 H VAL A 73 9.659 -0.555 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 73 8.298 2.073 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 73 8.984 0.187 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.672 2.074 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.089 2.305 -1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.582 3.193 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.716 0.787 -1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.516 1.834 -3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.700 0.076 -3.284 1.00 0.00 H new ATOM 1042 N ASN A 74 10.505 3.004 -5.019 1.00 0.00 N ATOM 1043 CA ASN A 74 11.799 3.637 -5.207 1.00 0.00 C ATOM 1044 C ASN A 74 12.569 2.899 -6.304 1.00 0.00 C ATOM 1045 O ASN A 74 13.722 3.224 -6.584 1.00 0.00 O ATOM 1046 CB ASN A 74 12.632 3.579 -3.924 1.00 0.00 C ATOM 1047 CG ASN A 74 13.250 4.943 -3.610 1.00 0.00 C ATOM 1048 OD1 ASN A 74 14.454 5.134 -3.662 1.00 0.00 O ATOM 1049 ND2 ASN A 74 12.362 5.877 -3.282 1.00 0.00 N ATOM 0 H ASN A 74 9.721 3.501 -5.442 1.00 0.00 H new ATOM 0 HA ASN A 74 11.628 4.678 -5.480 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.004 3.260 -3.092 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.421 2.834 -4.031 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.675 6.821 -3.055 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.368 5.650 -3.258 1.00 0.00 H new ATOM 1056 N GLY A 75 11.901 1.919 -6.894 1.00 0.00 N ATOM 1057 CA GLY A 75 12.508 1.132 -7.954 1.00 0.00 C ATOM 1058 C GLY A 75 12.702 -0.321 -7.516 1.00 0.00 C ATOM 1059 O GLY A 75 12.817 -1.216 -8.352 1.00 0.00 O ATOM 0 H GLY A 75 10.945 1.652 -6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.879 1.167 -8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.470 1.565 -8.228 1.00 0.00 H new ATOM 1063 N VAL A 76 12.734 -0.511 -6.205 1.00 0.00 N ATOM 1064 CA VAL A 76 12.912 -1.840 -5.645 1.00 0.00 C ATOM 1065 C VAL A 76 11.616 -2.637 -5.811 1.00 0.00 C ATOM 1066 O VAL A 76 10.537 -2.148 -5.481 1.00 0.00 O ATOM 1067 CB VAL A 76 13.369 -1.737 -4.188 1.00 0.00 C ATOM 1068 CG1 VAL A 76 12.264 -1.151 -3.307 1.00 0.00 C ATOM 1069 CG2 VAL A 76 13.827 -3.098 -3.660 1.00 0.00 C ATOM 0 H VAL A 76 12.640 0.234 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 76 13.695 -2.378 -6.180 1.00 0.00 H new ATOM 0 HB VAL A 76 14.222 -1.059 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.615 -1.089 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.005 -0.154 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.384 -1.792 -3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.147 -2.997 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.001 -3.807 -3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.660 -3.461 -4.263 1.00 0.00 H new ATOM 1079 N ALA A 77 11.766 -3.850 -6.321 1.00 0.00 N ATOM 1080 CA ALA A 77 10.622 -4.719 -6.534 1.00 0.00 C ATOM 1081 C ALA A 77 10.195 -5.330 -5.198 1.00 0.00 C ATOM 1082 O ALA A 77 10.961 -6.061 -4.573 1.00 0.00 O ATOM 1083 CB ALA A 77 10.975 -5.783 -7.575 1.00 0.00 C ATOM 0 H ALA A 77 12.663 -4.252 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 77 9.776 -4.151 -6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.116 -6.435 -7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.242 -5.299 -8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.818 -6.375 -7.219 1.00 0.00 H new ATOM 1089 N LEU A 78 8.973 -5.007 -4.800 1.00 0.00 N ATOM 1090 CA LEU A 78 8.435 -5.515 -3.549 1.00 0.00 C ATOM 1091 C LEU A 78 7.375 -6.577 -3.849 1.00 0.00 C ATOM 1092 O LEU A 78 6.381 -6.687 -3.132 1.00 0.00 O ATOM 1093 CB LEU A 78 7.924 -4.365 -2.679 1.00 0.00 C ATOM 1094 CG LEU A 78 8.992 -3.427 -2.113 1.00 0.00 C ATOM 1095 CD1 LEU A 78 8.374 -2.407 -1.155 1.00 0.00 C ATOM 1096 CD2 LEU A 78 10.124 -4.219 -1.455 1.00 0.00 C ATOM 0 H LEU A 78 8.340 -4.400 -5.321 1.00 0.00 H new ATOM 0 HA LEU A 78 9.218 -6.001 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.224 -3.773 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.362 -4.788 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 78 9.429 -2.868 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.155 -1.753 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.632 -1.811 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.894 -2.929 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.870 -3.529 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.721 -4.821 -0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.589 -4.872 -2.194 1.00 0.00 H new ATOM 1108 N GLN A 79 7.622 -7.332 -4.909 1.00 0.00 N ATOM 1109 CA GLN A 79 6.702 -8.381 -5.313 1.00 0.00 C ATOM 1110 C GLN A 79 6.444 -9.338 -4.147 1.00 0.00 C ATOM 1111 O GLN A 79 5.609 -9.064 -3.287 1.00 0.00 O ATOM 1112 CB GLN A 79 7.230 -9.135 -6.535 1.00 0.00 C ATOM 1113 CG GLN A 79 6.748 -8.482 -7.832 1.00 0.00 C ATOM 1114 CD GLN A 79 7.313 -9.209 -9.054 1.00 0.00 C ATOM 1115 OE1 GLN A 79 7.224 -10.418 -9.186 1.00 0.00 O ATOM 1116 NE2 GLN A 79 7.899 -8.406 -9.938 1.00 0.00 N ATOM 0 H GLN A 79 8.447 -7.238 -5.501 1.00 0.00 H new ATOM 0 HA GLN A 79 5.756 -7.918 -5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.320 -9.150 -6.514 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.896 -10.172 -6.500 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.659 -8.496 -7.867 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.054 -7.436 -7.853 1.00 0.00 H new ATOM 0 HE21 GLN A 79 7.939 -7.401 -9.766 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.308 -8.795 -10.788 1.00 0.00 H new ATOM 1125 N GLY A 80 7.177 -10.442 -4.157 1.00 0.00 N ATOM 1126 CA GLY A 80 7.039 -11.441 -3.111 1.00 0.00 C ATOM 1127 C GLY A 80 7.933 -11.110 -1.914 1.00 0.00 C ATOM 1128 O GLY A 80 8.620 -11.984 -1.388 1.00 0.00 O ATOM 0 H GLY A 80 7.868 -10.666 -4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.999 -11.494 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.301 -12.423 -3.504 1.00 0.00 H new ATOM 1132 N ALA A 81 7.894 -9.846 -1.520 1.00 0.00 N ATOM 1133 CA ALA A 81 8.692 -9.389 -0.395 1.00 0.00 C ATOM 1134 C ALA A 81 7.822 -9.359 0.864 1.00 0.00 C ATOM 1135 O ALA A 81 6.609 -9.170 0.780 1.00 0.00 O ATOM 1136 CB ALA A 81 9.295 -8.020 -0.719 1.00 0.00 C ATOM 0 H ALA A 81 7.323 -9.124 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 81 9.519 -10.074 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.894 -7.677 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.927 -8.101 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.494 -7.306 -0.910 1.00 0.00 H new ATOM 1142 N GLU A 82 8.475 -9.549 2.000 1.00 0.00 N ATOM 1143 CA GLU A 82 7.777 -9.547 3.274 1.00 0.00 C ATOM 1144 C GLU A 82 7.515 -8.111 3.734 1.00 0.00 C ATOM 1145 O GLU A 82 7.965 -7.160 3.097 1.00 0.00 O ATOM 1146 CB GLU A 82 8.561 -10.326 4.332 1.00 0.00 C ATOM 1147 CG GLU A 82 8.542 -11.826 4.033 1.00 0.00 C ATOM 1148 CD GLU A 82 9.656 -12.550 4.792 1.00 0.00 C ATOM 1149 OE1 GLU A 82 9.589 -12.544 6.041 1.00 0.00 O ATOM 1150 OE2 GLU A 82 10.549 -13.094 4.107 1.00 0.00 O ATOM 0 H GLU A 82 9.481 -9.706 2.065 1.00 0.00 H new ATOM 0 HA GLU A 82 6.818 -10.046 3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.591 -9.970 4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.132 -10.142 5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.575 -12.244 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.662 -11.989 2.962 1.00 0.00 H new ATOM 1157 N HIS A 83 6.788 -7.999 4.835 1.00 0.00 N ATOM 1158 CA HIS A 83 6.460 -6.695 5.387 1.00 0.00 C ATOM 1159 C HIS A 83 7.745 -5.894 5.606 1.00 0.00 C ATOM 1160 O HIS A 83 7.915 -4.819 5.033 1.00 0.00 O ATOM 1161 CB HIS A 83 5.627 -6.839 6.662 1.00 0.00 C ATOM 1162 CG HIS A 83 4.803 -5.618 6.998 1.00 0.00 C ATOM 1163 ND1 HIS A 83 3.424 -5.650 7.104 1.00 0.00 N ATOM 1164 CD2 HIS A 83 5.179 -4.331 7.250 1.00 0.00 C ATOM 1165 CE1 HIS A 83 2.999 -4.432 7.407 1.00 0.00 C ATOM 1166 NE2 HIS A 83 4.089 -3.616 7.496 1.00 0.00 N ATOM 0 H HIS A 83 6.416 -8.790 5.361 1.00 0.00 H new ATOM 0 HA HIS A 83 5.843 -6.141 4.680 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.962 -7.696 6.554 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.293 -7.056 7.497 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.192 -3.958 7.249 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.971 -4.137 7.557 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.069 -2.620 7.716 1.00 0.00 H new ATOM 1174 N HIS A 84 8.616 -6.448 6.437 1.00 0.00 N ATOM 1175 CA HIS A 84 9.880 -5.798 6.738 1.00 0.00 C ATOM 1176 C HIS A 84 10.558 -5.366 5.437 1.00 0.00 C ATOM 1177 O HIS A 84 10.931 -4.204 5.283 1.00 0.00 O ATOM 1178 CB HIS A 84 10.766 -6.704 7.596 1.00 0.00 C ATOM 1179 CG HIS A 84 11.213 -7.965 6.897 1.00 0.00 C ATOM 1180 ND1 HIS A 84 12.537 -8.219 6.581 1.00 0.00 N ATOM 1181 CD2 HIS A 84 10.500 -9.041 6.457 1.00 0.00 C ATOM 1182 CE1 HIS A 84 12.605 -9.396 5.979 1.00 0.00 C ATOM 1183 NE2 HIS A 84 11.341 -9.905 5.902 1.00 0.00 N ATOM 0 H HIS A 84 8.471 -7.339 6.911 1.00 0.00 H new ATOM 0 HA HIS A 84 9.699 -4.900 7.328 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.646 -6.143 7.909 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.222 -6.975 8.501 1.00 0.00 H new ATOM 0 HD1 HIS A 84 13.326 -7.604 6.779 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.431 -9.169 6.545 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.503 -9.870 5.613 1.00 0.00 H new ATOM 1191 N GLU A 85 10.698 -6.324 4.533 1.00 0.00 N ATOM 1192 CA GLU A 85 11.325 -6.058 3.250 1.00 0.00 C ATOM 1193 C GLU A 85 10.759 -4.774 2.639 1.00 0.00 C ATOM 1194 O GLU A 85 11.505 -3.956 2.104 1.00 0.00 O ATOM 1195 CB GLU A 85 11.149 -7.242 2.297 1.00 0.00 C ATOM 1196 CG GLU A 85 11.910 -8.469 2.802 1.00 0.00 C ATOM 1197 CD GLU A 85 12.610 -9.193 1.649 1.00 0.00 C ATOM 1198 OE1 GLU A 85 11.909 -9.955 0.948 1.00 0.00 O ATOM 1199 OE2 GLU A 85 13.830 -8.968 1.495 1.00 0.00 O ATOM 0 H GLU A 85 10.387 -7.287 4.664 1.00 0.00 H new ATOM 0 HA GLU A 85 12.394 -5.920 3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.090 -7.481 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.507 -6.971 1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.647 -8.164 3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.220 -9.151 3.299 1.00 0.00 H new ATOM 1206 N ALA A 86 9.445 -4.638 2.740 1.00 0.00 N ATOM 1207 CA ALA A 86 8.771 -3.468 2.204 1.00 0.00 C ATOM 1208 C ALA A 86 9.222 -2.226 2.976 1.00 0.00 C ATOM 1209 O ALA A 86 9.749 -1.283 2.388 1.00 0.00 O ATOM 1210 CB ALA A 86 7.256 -3.676 2.270 1.00 0.00 C ATOM 0 H ALA A 86 8.829 -5.319 3.185 1.00 0.00 H new ATOM 0 HA ALA A 86 9.035 -3.320 1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.750 -2.798 1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.983 -4.553 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.954 -3.825 3.307 1.00 0.00 H new ATOM 1216 N VAL A 87 9.000 -2.267 4.281 1.00 0.00 N ATOM 1217 CA VAL A 87 9.378 -1.156 5.139 1.00 0.00 C ATOM 1218 C VAL A 87 10.797 -0.706 4.788 1.00 0.00 C ATOM 1219 O VAL A 87 11.017 0.457 4.452 1.00 0.00 O ATOM 1220 CB VAL A 87 9.224 -1.555 6.609 1.00 0.00 C ATOM 1221 CG1 VAL A 87 9.828 -0.494 7.531 1.00 0.00 C ATOM 1222 CG2 VAL A 87 7.756 -1.812 6.956 1.00 0.00 C ATOM 0 H VAL A 87 8.563 -3.051 4.766 1.00 0.00 H new ATOM 0 HA VAL A 87 8.717 -0.305 4.975 1.00 0.00 H new ATOM 0 HB VAL A 87 9.772 -2.484 6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.705 -0.802 8.569 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.889 -0.381 7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.320 0.457 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.674 -2.094 8.006 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.176 -0.907 6.777 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.371 -2.619 6.333 1.00 0.00 H new ATOM 1232 N GLU A 88 11.723 -1.649 4.878 1.00 0.00 N ATOM 1233 CA GLU A 88 13.114 -1.364 4.573 1.00 0.00 C ATOM 1234 C GLU A 88 13.216 -0.500 3.314 1.00 0.00 C ATOM 1235 O GLU A 88 13.799 0.583 3.346 1.00 0.00 O ATOM 1236 CB GLU A 88 13.918 -2.656 4.417 1.00 0.00 C ATOM 1237 CG GLU A 88 15.192 -2.615 5.263 1.00 0.00 C ATOM 1238 CD GLU A 88 16.251 -1.719 4.617 1.00 0.00 C ATOM 1239 OE1 GLU A 88 16.764 -2.125 3.552 1.00 0.00 O ATOM 1240 OE2 GLU A 88 16.523 -0.649 5.203 1.00 0.00 O ATOM 0 H GLU A 88 11.537 -2.612 5.158 1.00 0.00 H new ATOM 0 HA GLU A 88 13.541 -0.808 5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.306 -3.507 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.178 -2.802 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.958 -2.246 6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.587 -3.624 5.381 1.00 0.00 H new ATOM 1247 N ALA A 89 12.639 -1.011 2.236 1.00 0.00 N ATOM 1248 CA ALA A 89 12.658 -0.299 0.970 1.00 0.00 C ATOM 1249 C ALA A 89 12.120 1.118 1.177 1.00 0.00 C ATOM 1250 O ALA A 89 12.800 2.095 0.869 1.00 0.00 O ATOM 1251 CB ALA A 89 11.851 -1.083 -0.068 1.00 0.00 C ATOM 0 H ALA A 89 12.156 -1.909 2.214 1.00 0.00 H new ATOM 0 HA ALA A 89 13.677 -0.212 0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.865 -0.549 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.291 -2.071 -0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.822 -1.187 0.275 1.00 0.00 H new ATOM 1257 N LEU A 90 10.904 1.184 1.700 1.00 0.00 N ATOM 1258 CA LEU A 90 10.267 2.466 1.953 1.00 0.00 C ATOM 1259 C LEU A 90 11.260 3.394 2.655 1.00 0.00 C ATOM 1260 O LEU A 90 11.520 4.500 2.185 1.00 0.00 O ATOM 1261 CB LEU A 90 8.958 2.271 2.720 1.00 0.00 C ATOM 1262 CG LEU A 90 7.716 2.000 1.869 1.00 0.00 C ATOM 1263 CD1 LEU A 90 6.581 1.428 2.722 1.00 0.00 C ATOM 1264 CD2 LEU A 90 7.285 3.257 1.111 1.00 0.00 C ATOM 0 H LEU A 90 10.343 0.371 1.955 1.00 0.00 H new ATOM 0 HA LEU A 90 9.991 2.947 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.087 1.440 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.775 3.162 3.320 1.00 0.00 H new ATOM 0 HG LEU A 90 7.971 1.246 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.710 1.244 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.904 0.492 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.320 2.140 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.400 3.036 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.054 4.050 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.093 3.582 0.456 1.00 0.00 H new ATOM 1276 N ARG A 91 11.787 2.909 3.770 1.00 0.00 N ATOM 1277 CA ARG A 91 12.746 3.681 4.542 1.00 0.00 C ATOM 1278 C ARG A 91 13.854 4.214 3.632 1.00 0.00 C ATOM 1279 O ARG A 91 14.232 5.381 3.726 1.00 0.00 O ATOM 1280 CB ARG A 91 13.370 2.833 5.652 1.00 0.00 C ATOM 1281 CG ARG A 91 12.305 2.355 6.641 1.00 0.00 C ATOM 1282 CD ARG A 91 12.841 2.371 8.074 1.00 0.00 C ATOM 1283 NE ARG A 91 12.694 3.725 8.654 1.00 0.00 N ATOM 1284 CZ ARG A 91 13.069 4.054 9.898 1.00 0.00 C ATOM 1285 NH1 ARG A 91 13.614 3.129 10.700 1.00 0.00 N ATOM 1286 NH2 ARG A 91 12.897 5.307 10.340 1.00 0.00 N ATOM 0 H ARG A 91 11.568 1.991 4.157 1.00 0.00 H new ATOM 0 HA ARG A 91 12.211 4.516 4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.878 1.973 5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.125 3.416 6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.425 2.995 6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.987 1.346 6.379 1.00 0.00 H new ATOM 0 HD2 ARG A 91 12.300 1.645 8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.890 2.075 8.082 1.00 0.00 H new ATOM 0 HE ARG A 91 12.282 4.453 8.071 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.743 2.175 10.364 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.899 3.379 11.647 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.481 6.010 9.730 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.182 5.558 11.287 1.00 0.00 H new ATOM 1300 N GLY A 92 14.345 3.333 2.773 1.00 0.00 N ATOM 1301 CA GLY A 92 15.403 3.700 1.847 1.00 0.00 C ATOM 1302 C GLY A 92 14.841 4.472 0.651 1.00 0.00 C ATOM 1303 O GLY A 92 14.888 3.991 -0.481 1.00 0.00 O ATOM 0 H GLY A 92 14.030 2.366 2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.146 4.309 2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.913 2.802 1.498 1.00 0.00 H new ATOM 1307 N ALA A 93 14.322 5.655 0.942 1.00 0.00 N ATOM 1308 CA ALA A 93 13.752 6.498 -0.096 1.00 0.00 C ATOM 1309 C ALA A 93 13.987 7.967 0.261 1.00 0.00 C ATOM 1310 O ALA A 93 13.571 8.426 1.324 1.00 0.00 O ATOM 1311 CB ALA A 93 12.267 6.169 -0.263 1.00 0.00 C ATOM 0 H ALA A 93 14.284 6.050 1.881 1.00 0.00 H new ATOM 0 HA ALA A 93 14.237 6.309 -1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.840 6.801 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.156 5.122 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.746 6.349 0.677 1.00 0.00 H new ATOM 1317 N GLY A 94 14.652 8.665 -0.648 1.00 0.00 N ATOM 1318 CA GLY A 94 14.947 10.073 -0.443 1.00 0.00 C ATOM 1319 C GLY A 94 13.670 10.914 -0.497 1.00 0.00 C ATOM 1320 O GLY A 94 12.567 10.384 -0.365 1.00 0.00 O ATOM 0 H GLY A 94 14.995 8.281 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.436 10.209 0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.646 10.417 -1.206 1.00 0.00 H new ATOM 1324 N THR A 95 13.861 12.210 -0.692 1.00 0.00 N ATOM 1325 CA THR A 95 12.738 13.130 -0.765 1.00 0.00 C ATOM 1326 C THR A 95 11.661 12.582 -1.703 1.00 0.00 C ATOM 1327 O THR A 95 10.616 12.117 -1.249 1.00 0.00 O ATOM 1328 CB THR A 95 13.275 14.498 -1.190 1.00 0.00 C ATOM 1329 OG1 THR A 95 14.147 14.207 -2.278 1.00 0.00 O ATOM 1330 CG2 THR A 95 14.191 15.121 -0.135 1.00 0.00 C ATOM 0 H THR A 95 14.777 12.646 -0.802 1.00 0.00 H new ATOM 0 HA THR A 95 12.254 13.242 0.205 1.00 0.00 H new ATOM 0 HB THR A 95 12.440 15.170 -1.388 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.841 14.682 -3.079 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.544 16.090 -0.487 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.638 15.252 0.795 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.044 14.465 0.039 1.00 0.00 H new ATOM 1338 N ALA A 96 11.951 12.656 -2.993 1.00 0.00 N ATOM 1339 CA ALA A 96 11.020 12.173 -3.999 1.00 0.00 C ATOM 1340 C ALA A 96 10.971 10.644 -3.950 1.00 0.00 C ATOM 1341 O ALA A 96 11.913 9.976 -4.372 1.00 0.00 O ATOM 1342 CB ALA A 96 11.435 12.699 -5.374 1.00 0.00 C ATOM 0 H ALA A 96 12.818 13.043 -3.365 1.00 0.00 H new ATOM 0 HA ALA A 96 10.014 12.542 -3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.737 12.337 -6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.426 13.789 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.439 12.347 -5.610 1.00 0.00 H new ATOM 1348 N VAL A 97 9.862 10.136 -3.432 1.00 0.00 N ATOM 1349 CA VAL A 97 9.678 8.699 -3.323 1.00 0.00 C ATOM 1350 C VAL A 97 8.774 8.217 -4.460 1.00 0.00 C ATOM 1351 O VAL A 97 7.841 8.915 -4.854 1.00 0.00 O ATOM 1352 CB VAL A 97 9.134 8.345 -1.937 1.00 0.00 C ATOM 1353 CG1 VAL A 97 8.989 6.830 -1.776 1.00 0.00 C ATOM 1354 CG2 VAL A 97 10.019 8.931 -0.835 1.00 0.00 C ATOM 0 H VAL A 97 9.082 10.694 -3.083 1.00 0.00 H new ATOM 0 HA VAL A 97 10.633 8.183 -3.425 1.00 0.00 H new ATOM 0 HB VAL A 97 8.143 8.789 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.601 6.605 -0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.300 6.448 -2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.963 6.356 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.610 8.665 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.028 8.530 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.050 10.016 -0.932 1.00 0.00 H new ATOM 1364 N GLN A 98 9.084 7.028 -4.955 1.00 0.00 N ATOM 1365 CA GLN A 98 8.311 6.445 -6.039 1.00 0.00 C ATOM 1366 C GLN A 98 7.718 5.103 -5.606 1.00 0.00 C ATOM 1367 O GLN A 98 8.384 4.311 -4.940 1.00 0.00 O ATOM 1368 CB GLN A 98 9.167 6.285 -7.298 1.00 0.00 C ATOM 1369 CG GLN A 98 8.387 5.571 -8.403 1.00 0.00 C ATOM 1370 CD GLN A 98 9.129 5.655 -9.739 1.00 0.00 C ATOM 1371 OE1 GLN A 98 9.841 4.750 -10.142 1.00 0.00 O ATOM 1372 NE2 GLN A 98 8.921 6.790 -10.402 1.00 0.00 N ATOM 0 H GLN A 98 9.859 6.453 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 98 7.491 7.122 -6.280 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.489 7.265 -7.650 1.00 0.00 H new ATOM 0 HB3 GLN A 98 10.068 5.720 -7.060 1.00 0.00 H new ATOM 0 HG2 GLN A 98 8.238 4.526 -8.131 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.398 6.019 -8.503 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.313 7.507 -10.007 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.370 6.943 -11.305 1.00 0.00 H new ATOM 1381 N MET A 99 6.472 4.888 -6.001 1.00 0.00 N ATOM 1382 CA MET A 99 5.781 3.655 -5.662 1.00 0.00 C ATOM 1383 C MET A 99 4.962 3.142 -6.848 1.00 0.00 C ATOM 1384 O MET A 99 4.124 3.864 -7.387 1.00 0.00 O ATOM 1385 CB MET A 99 4.855 3.901 -4.469 1.00 0.00 C ATOM 1386 CG MET A 99 5.658 4.248 -3.214 1.00 0.00 C ATOM 1387 SD MET A 99 4.969 3.409 -1.797 1.00 0.00 S ATOM 1388 CE MET A 99 4.187 4.786 -0.972 1.00 0.00 C ATOM 0 H MET A 99 5.923 5.547 -6.553 1.00 0.00 H new ATOM 0 HA MET A 99 6.525 2.901 -5.406 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.166 4.713 -4.700 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.250 3.013 -4.284 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.700 3.958 -3.347 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.645 5.326 -3.051 1.00 0.00 H new ATOM 0 HE1 MET A 99 4.020 4.535 0.075 1.00 0.00 H new ATOM 0 HE2 MET A 99 4.832 5.663 -1.037 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.232 5.002 -1.450 1.00 0.00 H new ATOM 1398 N ARG A 100 5.232 1.899 -7.219 1.00 0.00 N ATOM 1399 CA ARG A 100 4.530 1.280 -8.331 1.00 0.00 C ATOM 1400 C ARG A 100 3.429 0.352 -7.813 1.00 0.00 C ATOM 1401 O ARG A 100 3.711 -0.747 -7.338 1.00 0.00 O ATOM 1402 CB ARG A 100 5.491 0.479 -9.211 1.00 0.00 C ATOM 1403 CG ARG A 100 4.916 0.287 -10.616 1.00 0.00 C ATOM 1404 CD ARG A 100 5.804 -0.639 -11.450 1.00 0.00 C ATOM 1405 NE ARG A 100 5.707 -0.279 -12.882 1.00 0.00 N ATOM 1406 CZ ARG A 100 6.141 -1.056 -13.883 1.00 0.00 C ATOM 1407 NH1 ARG A 100 6.705 -2.242 -13.615 1.00 0.00 N ATOM 1408 NH2 ARG A 100 6.011 -0.648 -15.153 1.00 0.00 N ATOM 0 H ARG A 100 5.927 1.304 -6.769 1.00 0.00 H new ATOM 0 HA ARG A 100 4.087 2.077 -8.929 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.449 0.995 -9.274 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.682 -0.493 -8.756 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.912 -0.131 -10.548 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.826 1.254 -11.111 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.839 -0.562 -11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.499 -1.676 -11.306 1.00 0.00 H new ATOM 0 HE ARG A 100 5.283 0.617 -13.122 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.804 -2.553 -12.649 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.035 -2.834 -14.377 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.582 0.254 -15.357 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.342 -1.240 -15.915 1.00 0.00 H new ATOM 1422 N VAL A 101 2.198 0.829 -7.923 1.00 0.00 N ATOM 1423 CA VAL A 101 1.053 0.056 -7.472 1.00 0.00 C ATOM 1424 C VAL A 101 0.310 -0.503 -8.687 1.00 0.00 C ATOM 1425 O VAL A 101 0.376 0.066 -9.775 1.00 0.00 O ATOM 1426 CB VAL A 101 0.164 0.915 -6.570 1.00 0.00 C ATOM 1427 CG1 VAL A 101 0.855 1.209 -5.237 1.00 0.00 C ATOM 1428 CG2 VAL A 101 -0.242 2.211 -7.275 1.00 0.00 C ATOM 0 H VAL A 101 1.968 1.741 -8.318 1.00 0.00 H new ATOM 0 HA VAL A 101 1.378 -0.793 -6.871 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.744 0.350 -6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.201 1.821 -4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.070 0.272 -4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.787 1.744 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.873 2.803 -6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.651 2.781 -7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.793 1.973 -8.185 1.00 0.00 H new ATOM 1438 N TRP A 102 -0.380 -1.611 -8.460 1.00 0.00 N ATOM 1439 CA TRP A 102 -1.135 -2.253 -9.523 1.00 0.00 C ATOM 1440 C TRP A 102 -2.620 -1.975 -9.282 1.00 0.00 C ATOM 1441 O TRP A 102 -3.149 -2.287 -8.217 1.00 0.00 O ATOM 1442 CB TRP A 102 -0.811 -3.747 -9.600 1.00 0.00 C ATOM 1443 CG TRP A 102 -1.404 -4.450 -10.823 1.00 0.00 C ATOM 1444 CD1 TRP A 102 -1.166 -4.195 -12.117 1.00 0.00 C ATOM 1445 CD2 TRP A 102 -2.350 -5.540 -10.813 1.00 0.00 C ATOM 1446 NE1 TRP A 102 -1.886 -5.039 -12.939 1.00 0.00 N ATOM 1447 CE2 TRP A 102 -2.629 -5.882 -12.121 1.00 0.00 C ATOM 1448 CE3 TRP A 102 -2.950 -6.214 -9.735 1.00 0.00 C ATOM 1449 CZ2 TRP A 102 -3.514 -6.908 -12.473 1.00 0.00 C ATOM 1450 CZ3 TRP A 102 -3.832 -7.237 -10.104 1.00 0.00 C ATOM 1451 CH2 TRP A 102 -4.123 -7.594 -11.415 1.00 0.00 C ATOM 0 H TRP A 102 -0.432 -2.081 -7.556 1.00 0.00 H new ATOM 0 HA TRP A 102 -0.858 -1.844 -10.495 1.00 0.00 H new ATOM 0 HB2 TRP A 102 0.272 -3.873 -9.610 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.180 -4.235 -8.698 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.496 -3.426 -12.472 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -1.875 -5.043 -13.959 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.747 -5.963 -8.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.716 -7.157 -13.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -4.321 -7.788 -9.314 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.816 -8.397 -11.617 1.00 0.00 H new ATOM 1462 N ARG A 103 -3.251 -1.392 -10.291 1.00 0.00 N ATOM 1463 CA ARG A 103 -4.665 -1.069 -10.203 1.00 0.00 C ATOM 1464 C ARG A 103 -5.272 -0.957 -11.602 1.00 0.00 C ATOM 1465 O ARG A 103 -4.554 -0.759 -12.581 1.00 0.00 O ATOM 1466 CB ARG A 103 -4.883 0.247 -9.453 1.00 0.00 C ATOM 1467 CG ARG A 103 -6.324 0.358 -8.948 1.00 0.00 C ATOM 1468 CD ARG A 103 -6.514 1.623 -8.109 1.00 0.00 C ATOM 1469 NE ARG A 103 -6.495 1.282 -6.669 1.00 0.00 N ATOM 1470 CZ ARG A 103 -7.540 0.770 -6.004 1.00 0.00 C ATOM 1471 NH1 ARG A 103 -8.693 0.535 -6.646 1.00 0.00 N ATOM 1472 NH2 ARG A 103 -7.432 0.491 -4.698 1.00 0.00 N ATOM 0 H ARG A 103 -2.809 -1.135 -11.174 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.155 -1.873 -9.654 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.193 0.309 -8.611 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.659 1.086 -10.111 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.010 0.372 -9.795 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.573 -0.520 -8.351 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.723 2.340 -8.332 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.459 2.101 -8.366 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.633 1.447 -6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.775 0.746 -7.641 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.488 0.145 -6.140 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -6.554 0.668 -4.210 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -8.227 0.101 -4.192 1.00 0.00 H new ATOM 1486 N GLU A 104 -6.590 -1.088 -11.653 1.00 0.00 N ATOM 1487 CA GLU A 104 -7.302 -1.004 -12.917 1.00 0.00 C ATOM 1488 C GLU A 104 -7.681 0.448 -13.217 1.00 0.00 C ATOM 1489 O GLU A 104 -8.050 1.196 -12.313 1.00 0.00 O ATOM 1490 CB GLU A 104 -8.539 -1.904 -12.910 1.00 0.00 C ATOM 1491 CG GLU A 104 -8.980 -2.241 -14.336 1.00 0.00 C ATOM 1492 CD GLU A 104 -10.319 -2.982 -14.336 1.00 0.00 C ATOM 1493 OE1 GLU A 104 -10.288 -4.210 -14.107 1.00 0.00 O ATOM 1494 OE2 GLU A 104 -11.343 -2.303 -14.564 1.00 0.00 O ATOM 0 H GLU A 104 -7.183 -1.252 -10.839 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.641 -1.357 -13.709 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.321 -2.823 -12.366 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.352 -1.406 -12.382 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.068 -1.324 -14.919 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.220 -2.855 -14.820 1.00 0.00 H new