USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 750 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 28 THR OG1 : rot -56:sc= 0.11 USER MOD Set 1.2: A 111 TYR OH : rot 180:sc= 0.102 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= -0.589 USER MOD Set 2.2: A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 13:sc= 1.21 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -156:sc= -2.98 USER MOD Single : A 35 TYR OH : rot 59:sc= 0.0567 USER MOD Single : A 43 ASN : amide:sc= -0.759 K(o=-0.76,f=-9.5!) USER MOD Single : A 49 GLN : amide:sc= -0.624 K(o=-0.62,f=-1.4) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -151:sc= 1.39 (180deg=0.228) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 152:sc= -0.287 (180deg=-1.26) USER MOD Single : A 88 SER OG : rot 180:sc= -0.549 USER MOD Single : A 89 TYR OH : rot -156:sc= -0.761 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -6.16! C(o=-6.2!,f=-22!) USER MOD Single : A 98 MET CE :methyl -147:sc= -0.385 (180deg=-2.56!) USER MOD Single : A 102 SER OG : rot 77:sc= 0.204 USER MOD Single : A 105 SER OG : rot 100:sc= 0.717 USER MOD Single : A 108 SER OG : rot 100:sc= 0.00588 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 169 N LEU A 15 -20.352 -13.406 -2.107 1.00 0.00 N ATOM 170 CA LEU A 15 -18.968 -13.157 -1.721 1.00 0.00 C ATOM 171 C LEU A 15 -18.772 -11.704 -1.302 1.00 0.00 C ATOM 172 O LEU A 15 -19.725 -10.924 -1.266 1.00 0.00 O ATOM 173 CB LEU A 15 -18.026 -13.497 -2.877 1.00 0.00 C ATOM 174 CG LEU A 15 -17.521 -14.940 -2.929 1.00 0.00 C ATOM 175 CD1 LEU A 15 -17.271 -15.367 -4.368 1.00 0.00 C ATOM 176 CD2 LEU A 15 -16.256 -15.093 -2.097 1.00 0.00 C ATOM 0 HA LEU A 15 -18.734 -13.796 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.539 -13.279 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.163 -12.833 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.289 -15.589 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.912 -16.396 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -18.199 -15.297 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.522 -14.714 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.911 -16.126 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.481 -14.433 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -16.468 -14.830 -1.061 1.00 0.00 H new ATOM 188 N SER A 16 -17.531 -11.345 -0.988 1.00 0.00 N ATOM 189 CA SER A 16 -17.212 -9.985 -0.571 1.00 0.00 C ATOM 190 C SER A 16 -15.839 -9.567 -1.089 1.00 0.00 C ATOM 191 O SER A 16 -15.010 -10.396 -1.465 1.00 0.00 O ATOM 192 CB SER A 16 -17.249 -9.875 0.955 1.00 0.00 C ATOM 193 OG SER A 16 -16.906 -11.108 1.563 1.00 0.00 O ATOM 0 H SER A 16 -16.731 -11.977 -1.015 1.00 0.00 H new ATOM 0 HA SER A 16 -17.961 -9.316 -0.995 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.558 -9.099 1.284 1.00 0.00 H new ATOM 0 HB3 SER A 16 -18.245 -9.572 1.277 1.00 0.00 H new ATOM 0 HG SER A 16 -16.935 -11.011 2.538 1.00 0.00 H new ATOM 199 N PRO A 17 -15.592 -8.248 -1.109 1.00 0.00 N ATOM 200 CA PRO A 17 -14.321 -7.688 -1.578 1.00 0.00 C ATOM 201 C PRO A 17 -13.169 -7.989 -0.626 1.00 0.00 C ATOM 202 O PRO A 17 -13.363 -8.472 0.490 1.00 0.00 O ATOM 203 CB PRO A 17 -14.593 -6.183 -1.628 1.00 0.00 C ATOM 204 CG PRO A 17 -15.684 -5.962 -0.639 1.00 0.00 C ATOM 205 CD PRO A 17 -16.534 -7.203 -0.676 1.00 0.00 C ATOM 0 HA PRO A 17 -14.018 -8.112 -2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.702 -5.611 -1.369 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.895 -5.868 -2.627 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.278 -5.796 0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.270 -5.080 -0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.961 -7.427 0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -17.367 -7.099 -1.372 1.00 0.00 H new ATOM 213 N PRO A 18 -11.938 -7.698 -1.073 1.00 0.00 N ATOM 214 CA PRO A 18 -10.730 -7.928 -0.275 1.00 0.00 C ATOM 215 C PRO A 18 -10.629 -6.977 0.912 1.00 0.00 C ATOM 216 O PRO A 18 -11.214 -5.894 0.902 1.00 0.00 O ATOM 217 CB PRO A 18 -9.594 -7.666 -1.268 1.00 0.00 C ATOM 218 CG PRO A 18 -10.180 -6.744 -2.280 1.00 0.00 C ATOM 219 CD PRO A 18 -11.632 -7.121 -2.394 1.00 0.00 C ATOM 0 HA PRO A 18 -10.713 -8.927 0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.733 -7.216 -0.774 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.250 -8.592 -1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.070 -5.705 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.674 -6.846 -3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.257 -6.254 -2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.799 -7.841 -3.196 1.00 0.00 H new ATOM 227 N GLU A 19 -9.883 -7.389 1.933 1.00 0.00 N ATOM 228 CA GLU A 19 -9.707 -6.571 3.127 1.00 0.00 C ATOM 229 C GLU A 19 -8.354 -5.868 3.111 1.00 0.00 C ATOM 230 O GLU A 19 -7.471 -6.215 2.326 1.00 0.00 O ATOM 231 CB GLU A 19 -9.832 -7.434 4.385 1.00 0.00 C ATOM 232 CG GLU A 19 -8.511 -8.022 4.852 1.00 0.00 C ATOM 233 CD GLU A 19 -8.643 -8.793 6.151 1.00 0.00 C ATOM 234 OE1 GLU A 19 -9.151 -9.934 6.114 1.00 0.00 O ATOM 235 OE2 GLU A 19 -8.239 -8.257 7.204 1.00 0.00 O ATOM 0 H GLU A 19 -9.392 -8.283 1.957 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.490 -5.812 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.256 -6.832 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.533 -8.246 4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.119 -8.683 4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.786 -7.219 4.983 1.00 0.00 H new ATOM 242 N ALA A 20 -8.198 -4.877 3.983 1.00 0.00 N ATOM 243 CA ALA A 20 -6.951 -4.126 4.070 1.00 0.00 C ATOM 244 C ALA A 20 -5.777 -5.045 4.387 1.00 0.00 C ATOM 245 O ALA A 20 -5.768 -5.755 5.393 1.00 0.00 O ATOM 246 CB ALA A 20 -7.067 -3.032 5.121 1.00 0.00 C ATOM 0 H ALA A 20 -8.919 -4.576 4.639 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.765 -3.665 3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.129 -2.479 5.176 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.874 -2.351 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.281 -3.481 6.091 1.00 0.00 H new ATOM 252 N PRO A 21 -4.762 -5.035 3.511 1.00 0.00 N ATOM 253 CA PRO A 21 -3.564 -5.863 3.677 1.00 0.00 C ATOM 254 C PRO A 21 -2.694 -5.397 4.839 1.00 0.00 C ATOM 255 O PRO A 21 -2.846 -4.279 5.333 1.00 0.00 O ATOM 256 CB PRO A 21 -2.823 -5.686 2.349 1.00 0.00 C ATOM 257 CG PRO A 21 -3.281 -4.365 1.834 1.00 0.00 C ATOM 258 CD PRO A 21 -4.706 -4.214 2.290 1.00 0.00 C ATOM 0 HA PRO A 21 -3.813 -6.899 3.907 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.743 -5.702 2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.063 -6.488 1.651 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.660 -3.558 2.222 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.213 -4.325 0.747 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.954 -3.173 2.494 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.409 -4.567 1.536 1.00 0.00 H new ATOM 266 N ASP A 22 -1.781 -6.259 5.271 1.00 0.00 N ATOM 267 CA ASP A 22 -0.885 -5.935 6.375 1.00 0.00 C ATOM 268 C ASP A 22 -0.191 -4.597 6.136 1.00 0.00 C ATOM 269 O ASP A 22 -0.369 -3.972 5.092 1.00 0.00 O ATOM 270 CB ASP A 22 0.158 -7.039 6.555 1.00 0.00 C ATOM 271 CG ASP A 22 0.618 -7.173 7.994 1.00 0.00 C ATOM 272 OD1 ASP A 22 -0.250 -7.257 8.888 1.00 0.00 O ATOM 273 OD2 ASP A 22 1.845 -7.192 8.226 1.00 0.00 O ATOM 0 H ASP A 22 -1.642 -7.188 4.874 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.482 -5.858 7.284 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.261 -7.988 6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.018 -6.829 5.920 1.00 0.00 H new ATOM 278 N ARG A 23 0.600 -4.164 7.113 1.00 0.00 N ATOM 279 CA ARG A 23 1.319 -2.900 7.010 1.00 0.00 C ATOM 280 C ARG A 23 2.581 -3.059 6.168 1.00 0.00 C ATOM 281 O ARG A 23 3.457 -3.872 6.466 1.00 0.00 O ATOM 282 CB ARG A 23 1.682 -2.381 8.402 1.00 0.00 C ATOM 283 CG ARG A 23 2.060 -0.909 8.424 1.00 0.00 C ATOM 284 CD ARG A 23 2.721 -0.523 9.738 1.00 0.00 C ATOM 285 NE ARG A 23 4.141 -0.864 9.757 1.00 0.00 N ATOM 286 CZ ARG A 23 4.917 -0.720 10.825 1.00 0.00 C ATOM 287 NH1 ARG A 23 4.414 -0.245 11.955 1.00 0.00 N ATOM 288 NH2 ARG A 23 6.200 -1.054 10.764 1.00 0.00 N ATOM 0 H ARG A 23 0.759 -4.670 7.984 1.00 0.00 H new ATOM 0 HA ARG A 23 0.666 -2.178 6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.837 -2.540 9.072 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.514 -2.967 8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.738 -0.694 7.598 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.168 -0.301 8.272 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.603 0.548 9.902 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.216 -1.029 10.561 1.00 0.00 H new ATOM 0 HE ARG A 23 4.560 -1.233 8.903 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.428 0.011 12.006 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.013 -0.136 12.774 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.591 -1.422 9.896 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.795 -0.943 11.585 1.00 0.00 H new ATOM 302 N PRO A 24 2.680 -2.265 5.092 1.00 0.00 N ATOM 303 CA PRO A 24 3.830 -2.299 4.186 1.00 0.00 C ATOM 304 C PRO A 24 5.094 -1.742 4.832 1.00 0.00 C ATOM 305 O PRO A 24 5.042 -0.777 5.595 1.00 0.00 O ATOM 306 CB PRO A 24 3.391 -1.410 3.020 1.00 0.00 C ATOM 307 CG PRO A 24 2.380 -0.487 3.608 1.00 0.00 C ATOM 308 CD PRO A 24 1.673 -1.272 4.677 1.00 0.00 C ATOM 0 HA PRO A 24 4.085 -3.317 3.891 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.234 -0.860 2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.964 -2.001 2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.858 0.399 4.026 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.678 -0.142 2.849 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.369 -0.636 5.508 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.771 -1.750 4.295 1.00 0.00 H new ATOM 316 N THR A 25 6.232 -2.357 4.523 1.00 0.00 N ATOM 317 CA THR A 25 7.509 -1.924 5.075 1.00 0.00 C ATOM 318 C THR A 25 8.204 -0.936 4.143 1.00 0.00 C ATOM 319 O THR A 25 7.858 -0.831 2.966 1.00 0.00 O ATOM 320 CB THR A 25 8.447 -3.119 5.328 1.00 0.00 C ATOM 321 OG1 THR A 25 9.527 -2.725 6.180 1.00 0.00 O ATOM 322 CG2 THR A 25 9.000 -3.660 4.017 1.00 0.00 C ATOM 0 H THR A 25 6.294 -3.157 3.893 1.00 0.00 H new ATOM 0 HA THR A 25 7.293 -1.434 6.025 1.00 0.00 H new ATOM 0 HB THR A 25 7.871 -3.906 5.815 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.117 -3.492 6.336 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.660 -4.503 4.221 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.177 -3.988 3.383 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.560 -2.876 3.507 1.00 0.00 H new ATOM 330 N ILE A 26 9.184 -0.216 4.678 1.00 0.00 N ATOM 331 CA ILE A 26 9.927 0.762 3.894 1.00 0.00 C ATOM 332 C ILE A 26 11.424 0.470 3.927 1.00 0.00 C ATOM 333 O ILE A 26 12.008 0.288 4.995 1.00 0.00 O ATOM 334 CB ILE A 26 9.684 2.195 4.402 1.00 0.00 C ATOM 335 CG1 ILE A 26 8.195 2.414 4.683 1.00 0.00 C ATOM 336 CG2 ILE A 26 10.193 3.210 3.391 1.00 0.00 C ATOM 337 CD1 ILE A 26 7.294 1.933 3.567 1.00 0.00 C ATOM 0 H ILE A 26 9.482 -0.292 5.651 1.00 0.00 H new ATOM 0 HA ILE A 26 9.566 0.683 2.869 1.00 0.00 H new ATOM 0 HB ILE A 26 10.234 2.333 5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.927 1.897 5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.017 3.476 4.851 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.014 4.218 3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.262 3.065 3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.669 3.076 2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.254 2.119 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.535 2.468 2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.443 0.864 3.414 1.00 0.00 H new ATOM 349 N SER A 27 12.040 0.429 2.749 1.00 0.00 N ATOM 350 CA SER A 27 13.468 0.158 2.644 1.00 0.00 C ATOM 351 C SER A 27 14.128 1.107 1.648 1.00 0.00 C ATOM 352 O SER A 27 13.453 1.775 0.865 1.00 0.00 O ATOM 353 CB SER A 27 13.703 -1.292 2.216 1.00 0.00 C ATOM 354 OG SER A 27 14.929 -1.783 2.728 1.00 0.00 O ATOM 0 H SER A 27 11.572 0.580 1.855 1.00 0.00 H new ATOM 0 HA SER A 27 13.917 0.317 3.624 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.882 -1.916 2.569 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.708 -1.357 1.128 1.00 0.00 H new ATOM 0 HG SER A 27 15.055 -2.712 2.442 1.00 0.00 H new ATOM 360 N THR A 28 15.457 1.162 1.685 1.00 0.00 N ATOM 361 CA THR A 28 16.211 2.029 0.788 1.00 0.00 C ATOM 362 C THR A 28 16.373 1.391 -0.587 1.00 0.00 C ATOM 363 O THR A 28 17.112 0.420 -0.747 1.00 0.00 O ATOM 364 CB THR A 28 17.604 2.352 1.359 1.00 0.00 C ATOM 365 OG1 THR A 28 17.497 2.702 2.744 1.00 0.00 O ATOM 366 CG2 THR A 28 18.252 3.495 0.591 1.00 0.00 C ATOM 0 H THR A 28 16.032 0.616 2.327 1.00 0.00 H new ATOM 0 HA THR A 28 15.643 2.954 0.691 1.00 0.00 H new ATOM 0 HB THR A 28 18.229 1.465 1.256 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.870 3.449 2.845 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.235 3.705 1.012 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.359 3.215 -0.457 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.627 4.385 0.667 1.00 0.00 H new ATOM 374 N ALA A 29 15.678 1.942 -1.576 1.00 0.00 N ATOM 375 CA ALA A 29 15.748 1.429 -2.938 1.00 0.00 C ATOM 376 C ALA A 29 16.441 2.422 -3.865 1.00 0.00 C ATOM 377 O ALA A 29 17.165 2.030 -4.780 1.00 0.00 O ATOM 378 CB ALA A 29 14.353 1.107 -3.453 1.00 0.00 C ATOM 0 H ALA A 29 15.059 2.745 -1.459 1.00 0.00 H new ATOM 0 HA ALA A 29 16.339 0.513 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.420 0.725 -4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.893 0.354 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.744 2.011 -3.444 1.00 0.00 H new ATOM 384 N SER A 30 16.212 3.708 -3.623 1.00 0.00 N ATOM 385 CA SER A 30 16.811 4.758 -4.439 1.00 0.00 C ATOM 386 C SER A 30 16.695 6.115 -3.751 1.00 0.00 C ATOM 387 O SER A 30 16.186 6.214 -2.635 1.00 0.00 O ATOM 388 CB SER A 30 16.140 4.810 -5.813 1.00 0.00 C ATOM 389 OG SER A 30 16.662 3.813 -6.674 1.00 0.00 O ATOM 0 H SER A 30 15.616 4.049 -2.869 1.00 0.00 H new ATOM 0 HA SER A 30 17.868 4.526 -4.567 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.065 4.672 -5.701 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.290 5.794 -6.258 1.00 0.00 H new ATOM 0 HG SER A 30 17.191 3.174 -6.152 1.00 0.00 H new ATOM 395 N GLU A 31 17.169 7.156 -4.427 1.00 0.00 N ATOM 396 CA GLU A 31 17.118 8.508 -3.881 1.00 0.00 C ATOM 397 C GLU A 31 15.778 9.170 -4.191 1.00 0.00 C ATOM 398 O GLU A 31 15.427 10.195 -3.603 1.00 0.00 O ATOM 399 CB GLU A 31 18.261 9.353 -4.446 1.00 0.00 C ATOM 400 CG GLU A 31 18.022 9.825 -5.871 1.00 0.00 C ATOM 401 CD GLU A 31 18.333 8.753 -6.898 1.00 0.00 C ATOM 402 OE1 GLU A 31 17.446 7.917 -7.171 1.00 0.00 O ATOM 403 OE2 GLU A 31 19.463 8.752 -7.430 1.00 0.00 O ATOM 0 H GLU A 31 17.592 7.090 -5.353 1.00 0.00 H new ATOM 0 HA GLU A 31 17.227 8.440 -2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.411 10.222 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 31 19.182 8.771 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.983 10.135 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 31 18.638 10.702 -6.068 1.00 0.00 H new ATOM 410 N THR A 32 15.034 8.579 -5.120 1.00 0.00 N ATOM 411 CA THR A 32 13.735 9.111 -5.511 1.00 0.00 C ATOM 412 C THR A 32 12.635 8.071 -5.324 1.00 0.00 C ATOM 413 O THR A 32 11.462 8.343 -5.576 1.00 0.00 O ATOM 414 CB THR A 32 13.737 9.579 -6.978 1.00 0.00 C ATOM 415 OG1 THR A 32 14.212 8.529 -7.827 1.00 0.00 O ATOM 416 CG2 THR A 32 14.613 10.812 -7.151 1.00 0.00 C ATOM 0 H THR A 32 15.309 7.731 -5.616 1.00 0.00 H new ATOM 0 HA THR A 32 13.538 9.966 -4.864 1.00 0.00 H new ATOM 0 HB THR A 32 12.715 9.836 -7.256 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.209 8.834 -8.758 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.599 11.125 -8.195 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.232 11.619 -6.525 1.00 0.00 H new ATOM 0 HG23 THR A 32 15.636 10.576 -6.856 1.00 0.00 H new ATOM 424 N SER A 33 13.024 6.880 -4.879 1.00 0.00 N ATOM 425 CA SER A 33 12.071 5.798 -4.660 1.00 0.00 C ATOM 426 C SER A 33 12.451 4.979 -3.432 1.00 0.00 C ATOM 427 O SER A 33 13.494 5.206 -2.817 1.00 0.00 O ATOM 428 CB SER A 33 12.005 4.892 -5.891 1.00 0.00 C ATOM 429 OG SER A 33 12.974 3.860 -5.818 1.00 0.00 O ATOM 0 H SER A 33 13.992 6.640 -4.663 1.00 0.00 H new ATOM 0 HA SER A 33 11.090 6.241 -4.490 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.010 4.455 -5.972 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.167 5.484 -6.791 1.00 0.00 H new ATOM 0 HG SER A 33 13.186 3.546 -6.722 1.00 0.00 H new ATOM 435 N VAL A 34 11.598 4.023 -3.078 1.00 0.00 N ATOM 436 CA VAL A 34 11.844 3.167 -1.923 1.00 0.00 C ATOM 437 C VAL A 34 11.156 1.816 -2.084 1.00 0.00 C ATOM 438 O VAL A 34 10.062 1.727 -2.639 1.00 0.00 O ATOM 439 CB VAL A 34 11.355 3.827 -0.621 1.00 0.00 C ATOM 440 CG1 VAL A 34 12.106 5.126 -0.366 1.00 0.00 C ATOM 441 CG2 VAL A 34 9.855 4.073 -0.678 1.00 0.00 C ATOM 0 H VAL A 34 10.730 3.822 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 34 12.922 3.018 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 34 11.558 3.148 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.747 5.578 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.172 4.919 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.937 5.813 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.527 4.540 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.626 4.732 -1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.335 3.124 -0.810 1.00 0.00 H new ATOM 451 N TYR A 35 11.806 0.766 -1.593 1.00 0.00 N ATOM 452 CA TYR A 35 11.258 -0.582 -1.684 1.00 0.00 C ATOM 453 C TYR A 35 10.182 -0.805 -0.626 1.00 0.00 C ATOM 454 O TYR A 35 10.420 -0.619 0.567 1.00 0.00 O ATOM 455 CB TYR A 35 12.371 -1.619 -1.522 1.00 0.00 C ATOM 456 CG TYR A 35 13.191 -1.829 -2.776 1.00 0.00 C ATOM 457 CD1 TYR A 35 12.581 -2.144 -3.984 1.00 0.00 C ATOM 458 CD2 TYR A 35 14.575 -1.711 -2.752 1.00 0.00 C ATOM 459 CE1 TYR A 35 13.326 -2.336 -5.131 1.00 0.00 C ATOM 460 CE2 TYR A 35 15.328 -1.900 -3.894 1.00 0.00 C ATOM 461 CZ TYR A 35 14.699 -2.213 -5.081 1.00 0.00 C ATOM 462 OH TYR A 35 15.445 -2.403 -6.222 1.00 0.00 O ATOM 0 H TYR A 35 12.712 0.823 -1.128 1.00 0.00 H new ATOM 0 HA TYR A 35 10.804 -0.697 -2.668 1.00 0.00 H new ATOM 0 HB2 TYR A 35 13.032 -1.307 -0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.930 -2.570 -1.223 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.506 -2.240 -4.027 1.00 0.00 H new ATOM 0 HD2 TYR A 35 15.071 -1.467 -1.824 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.836 -2.581 -6.062 1.00 0.00 H new ATOM 0 HE2 TYR A 35 16.403 -1.803 -3.858 1.00 0.00 H new ATOM 0 HH TYR A 35 15.158 -1.767 -6.910 1.00 0.00 H new ATOM 472 N VAL A 36 8.996 -1.206 -1.073 1.00 0.00 N ATOM 473 CA VAL A 36 7.882 -1.457 -0.166 1.00 0.00 C ATOM 474 C VAL A 36 7.408 -2.903 -0.265 1.00 0.00 C ATOM 475 O VAL A 36 7.190 -3.424 -1.359 1.00 0.00 O ATOM 476 CB VAL A 36 6.696 -0.518 -0.461 1.00 0.00 C ATOM 477 CG1 VAL A 36 5.493 -0.895 0.390 1.00 0.00 C ATOM 478 CG2 VAL A 36 7.094 0.931 -0.225 1.00 0.00 C ATOM 0 H VAL A 36 8.782 -1.364 -2.058 1.00 0.00 H new ATOM 0 HA VAL A 36 8.246 -1.265 0.843 1.00 0.00 H new ATOM 0 HB VAL A 36 6.418 -0.628 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.665 -0.221 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.197 -1.920 0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.754 -0.814 1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.245 1.581 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.398 1.060 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.924 1.192 -0.881 1.00 0.00 H new ATOM 488 N THR A 37 7.250 -3.547 0.888 1.00 0.00 N ATOM 489 CA THR A 37 6.802 -4.934 0.932 1.00 0.00 C ATOM 490 C THR A 37 5.628 -5.101 1.888 1.00 0.00 C ATOM 491 O THR A 37 5.749 -4.845 3.086 1.00 0.00 O ATOM 492 CB THR A 37 7.941 -5.877 1.364 1.00 0.00 C ATOM 493 OG1 THR A 37 9.085 -5.679 0.528 1.00 0.00 O ATOM 494 CG2 THR A 37 7.497 -7.330 1.290 1.00 0.00 C ATOM 0 H THR A 37 7.425 -3.131 1.803 1.00 0.00 H new ATOM 0 HA THR A 37 6.485 -5.198 -0.077 1.00 0.00 H new ATOM 0 HB THR A 37 8.203 -5.646 2.396 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.805 -6.281 0.810 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.317 -7.977 1.600 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.644 -7.484 1.951 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.211 -7.571 0.266 1.00 0.00 H new ATOM 502 N TRP A 38 4.492 -5.534 1.352 1.00 0.00 N ATOM 503 CA TRP A 38 3.294 -5.737 2.160 1.00 0.00 C ATOM 504 C TRP A 38 2.896 -7.209 2.183 1.00 0.00 C ATOM 505 O TRP A 38 3.439 -8.019 1.431 1.00 0.00 O ATOM 506 CB TRP A 38 2.140 -4.892 1.618 1.00 0.00 C ATOM 507 CG TRP A 38 1.693 -5.307 0.248 1.00 0.00 C ATOM 508 CD1 TRP A 38 0.613 -6.084 -0.060 1.00 0.00 C ATOM 509 CD2 TRP A 38 2.315 -4.967 -0.996 1.00 0.00 C ATOM 510 NE1 TRP A 38 0.526 -6.248 -1.422 1.00 0.00 N ATOM 511 CE2 TRP A 38 1.557 -5.572 -2.019 1.00 0.00 C ATOM 512 CE3 TRP A 38 3.436 -4.210 -1.346 1.00 0.00 C ATOM 513 CZ2 TRP A 38 1.888 -5.443 -3.365 1.00 0.00 C ATOM 514 CZ3 TRP A 38 3.762 -4.083 -2.683 1.00 0.00 C ATOM 515 CH2 TRP A 38 2.991 -4.696 -3.679 1.00 0.00 C ATOM 0 H TRP A 38 4.375 -5.751 0.362 1.00 0.00 H new ATOM 0 HA TRP A 38 3.516 -5.424 3.180 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.296 -4.960 2.304 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.446 -3.846 1.591 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -0.072 -6.507 0.660 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -0.190 -6.786 -1.909 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.037 -3.733 -0.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.295 -5.916 -4.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.627 -3.501 -2.965 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.272 -4.577 -4.715 1.00 0.00 H new ATOM 526 N ILE A 39 1.948 -7.547 3.049 1.00 0.00 N ATOM 527 CA ILE A 39 1.478 -8.921 3.168 1.00 0.00 C ATOM 528 C ILE A 39 -0.047 -8.983 3.166 1.00 0.00 C ATOM 529 O ILE A 39 -0.709 -8.610 4.135 1.00 0.00 O ATOM 530 CB ILE A 39 2.005 -9.588 4.452 1.00 0.00 C ATOM 531 CG1 ILE A 39 3.524 -9.427 4.548 1.00 0.00 C ATOM 532 CG2 ILE A 39 1.619 -11.060 4.482 1.00 0.00 C ATOM 533 CD1 ILE A 39 4.282 -10.225 3.511 1.00 0.00 C ATOM 0 H ILE A 39 1.490 -6.888 3.679 1.00 0.00 H new ATOM 0 HA ILE A 39 1.863 -9.461 2.303 1.00 0.00 H new ATOM 0 HB ILE A 39 1.551 -9.097 5.313 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.777 -8.372 4.440 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.852 -9.733 5.541 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.999 -11.517 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.533 -11.152 4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.048 -11.566 3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.352 -10.063 3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.058 -11.285 3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.983 -9.903 2.514 1.00 0.00 H new ATOM 545 N PRO A 40 -0.618 -9.465 2.053 1.00 0.00 N ATOM 546 CA PRO A 40 -2.070 -9.590 1.898 1.00 0.00 C ATOM 547 C PRO A 40 -2.657 -10.679 2.790 1.00 0.00 C ATOM 548 O PRO A 40 -2.124 -11.787 2.864 1.00 0.00 O ATOM 549 CB PRO A 40 -2.240 -9.958 0.422 1.00 0.00 C ATOM 550 CG PRO A 40 -0.954 -10.608 0.044 1.00 0.00 C ATOM 551 CD PRO A 40 0.110 -9.928 0.859 1.00 0.00 C ATOM 0 HA PRO A 40 -2.590 -8.676 2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.083 -10.634 0.277 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.431 -9.074 -0.187 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.981 -11.677 0.253 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.759 -10.496 -1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.916 -10.614 1.121 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.562 -9.097 0.317 1.00 0.00 H new ATOM 559 N ARG A 41 -3.756 -10.358 3.464 1.00 0.00 N ATOM 560 CA ARG A 41 -4.414 -11.310 4.351 1.00 0.00 C ATOM 561 C ARG A 41 -5.674 -11.876 3.702 1.00 0.00 C ATOM 562 O ARG A 41 -5.720 -13.047 3.329 1.00 0.00 O ATOM 563 CB ARG A 41 -4.768 -10.641 5.680 1.00 0.00 C ATOM 564 CG ARG A 41 -3.785 -9.559 6.098 1.00 0.00 C ATOM 565 CD ARG A 41 -2.404 -10.136 6.366 1.00 0.00 C ATOM 566 NE ARG A 41 -2.222 -10.491 7.771 1.00 0.00 N ATOM 567 CZ ARG A 41 -1.293 -11.338 8.200 1.00 0.00 C ATOM 568 NH1 ARG A 41 -0.466 -11.914 7.339 1.00 0.00 N ATOM 569 NH2 ARG A 41 -1.190 -11.610 9.495 1.00 0.00 N ATOM 0 H ARG A 41 -4.210 -9.446 3.413 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.722 -12.131 4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.764 -10.205 5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.812 -11.401 6.460 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.719 -8.803 5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.152 -9.059 6.994 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.254 -11.020 5.746 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.645 -9.410 6.074 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.842 -10.065 8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.542 -11.707 6.343 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.246 -12.564 7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.824 -11.169 10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.477 -12.260 9.824 1.00 0.00 H new ATOM 583 N GLY A 42 -6.695 -11.034 3.572 1.00 0.00 N ATOM 584 CA GLY A 42 -7.942 -11.470 2.970 1.00 0.00 C ATOM 585 C GLY A 42 -8.118 -10.944 1.559 1.00 0.00 C ATOM 586 O GLY A 42 -7.718 -9.822 1.252 1.00 0.00 O ATOM 0 H GLY A 42 -6.681 -10.059 3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.974 -12.559 2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.776 -11.135 3.586 1.00 0.00 H new ATOM 590 N ASN A 43 -8.717 -11.759 0.696 1.00 0.00 N ATOM 591 CA ASN A 43 -8.942 -11.371 -0.692 1.00 0.00 C ATOM 592 C ASN A 43 -10.435 -11.288 -0.997 1.00 0.00 C ATOM 593 O ASN A 43 -10.839 -11.213 -2.157 1.00 0.00 O ATOM 594 CB ASN A 43 -8.273 -12.369 -1.638 1.00 0.00 C ATOM 595 CG ASN A 43 -8.815 -13.776 -1.472 1.00 0.00 C ATOM 596 OD1 ASN A 43 -9.714 -14.016 -0.666 1.00 0.00 O ATOM 597 ND2 ASN A 43 -8.268 -14.714 -2.238 1.00 0.00 N ATOM 0 H ASN A 43 -9.055 -12.692 0.933 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.501 -10.386 -0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.421 -12.045 -2.668 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.198 -12.373 -1.457 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.591 -15.679 -2.172 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.525 -14.469 -2.892 1.00 0.00 H new ATOM 604 N GLY A 44 -11.251 -11.300 0.053 1.00 0.00 N ATOM 605 CA GLY A 44 -12.690 -11.225 -0.124 1.00 0.00 C ATOM 606 C GLY A 44 -13.282 -12.533 -0.611 1.00 0.00 C ATOM 607 O GLY A 44 -14.494 -12.640 -0.801 1.00 0.00 O ATOM 0 H GLY A 44 -10.941 -11.360 1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.156 -10.949 0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.925 -10.435 -0.838 1.00 0.00 H new ATOM 611 N GLY A 45 -12.427 -13.529 -0.816 1.00 0.00 N ATOM 612 CA GLY A 45 -12.892 -14.821 -1.285 1.00 0.00 C ATOM 613 C GLY A 45 -12.435 -15.125 -2.698 1.00 0.00 C ATOM 614 O GLY A 45 -12.374 -16.286 -3.102 1.00 0.00 O ATOM 0 H GLY A 45 -11.420 -13.465 -0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.529 -15.600 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.981 -14.848 -1.245 1.00 0.00 H new ATOM 618 N PHE A 46 -12.115 -14.078 -3.452 1.00 0.00 N ATOM 619 CA PHE A 46 -11.663 -14.239 -4.829 1.00 0.00 C ATOM 620 C PHE A 46 -10.178 -13.912 -4.956 1.00 0.00 C ATOM 621 O PHE A 46 -9.584 -13.263 -4.096 1.00 0.00 O ATOM 622 CB PHE A 46 -12.476 -13.339 -5.762 1.00 0.00 C ATOM 623 CG PHE A 46 -13.686 -14.015 -6.343 1.00 0.00 C ATOM 624 CD1 PHE A 46 -13.596 -15.295 -6.864 1.00 0.00 C ATOM 625 CD2 PHE A 46 -14.911 -13.369 -6.369 1.00 0.00 C ATOM 626 CE1 PHE A 46 -14.707 -15.919 -7.399 1.00 0.00 C ATOM 627 CE2 PHE A 46 -16.025 -13.988 -6.904 1.00 0.00 C ATOM 628 CZ PHE A 46 -15.924 -15.265 -7.418 1.00 0.00 C ATOM 0 H PHE A 46 -12.160 -13.110 -3.133 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.813 -15.280 -5.116 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.793 -12.452 -5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.835 -12.998 -6.575 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.647 -15.811 -6.852 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -14.997 -12.370 -5.967 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.624 -16.918 -7.802 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.974 -13.473 -6.920 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.794 -15.752 -7.834 1.00 0.00 H new ATOM 638 N PRO A 47 -9.563 -14.375 -6.055 1.00 0.00 N ATOM 639 CA PRO A 47 -8.140 -14.145 -6.322 1.00 0.00 C ATOM 640 C PRO A 47 -7.840 -12.686 -6.647 1.00 0.00 C ATOM 641 O PRO A 47 -8.275 -12.169 -7.677 1.00 0.00 O ATOM 642 CB PRO A 47 -7.859 -15.034 -7.536 1.00 0.00 C ATOM 643 CG PRO A 47 -9.178 -15.176 -8.215 1.00 0.00 C ATOM 644 CD PRO A 47 -10.210 -15.157 -7.122 1.00 0.00 C ATOM 0 HA PRO A 47 -7.520 -14.375 -5.456 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.120 -14.580 -8.197 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.463 -16.003 -7.234 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.343 -14.363 -8.922 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.227 -16.106 -8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.138 -14.692 -7.454 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.459 -16.164 -6.787 1.00 0.00 H new ATOM 652 N ILE A 48 -7.095 -12.029 -5.765 1.00 0.00 N ATOM 653 CA ILE A 48 -6.735 -10.630 -5.962 1.00 0.00 C ATOM 654 C ILE A 48 -6.332 -10.364 -7.408 1.00 0.00 C ATOM 655 O ILE A 48 -5.476 -11.054 -7.961 1.00 0.00 O ATOM 656 CB ILE A 48 -5.580 -10.210 -5.034 1.00 0.00 C ATOM 657 CG1 ILE A 48 -6.039 -10.227 -3.574 1.00 0.00 C ATOM 658 CG2 ILE A 48 -5.067 -8.831 -5.417 1.00 0.00 C ATOM 659 CD1 ILE A 48 -4.920 -9.980 -2.586 1.00 0.00 C ATOM 0 H ILE A 48 -6.729 -12.442 -4.907 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.619 -10.040 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.764 -10.924 -5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.810 -9.469 -3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.498 -11.192 -3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.251 -8.549 -4.752 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.707 -8.850 -6.446 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.875 -8.105 -5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.318 -10.006 -1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.159 -10.753 -2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.476 -9.003 -2.776 1.00 0.00 H new ATOM 671 N GLN A 49 -6.955 -9.358 -8.014 1.00 0.00 N ATOM 672 CA GLN A 49 -6.660 -9.000 -9.397 1.00 0.00 C ATOM 673 C GLN A 49 -5.421 -8.113 -9.477 1.00 0.00 C ATOM 674 O GLN A 49 -4.539 -8.336 -10.305 1.00 0.00 O ATOM 675 CB GLN A 49 -7.856 -8.284 -10.027 1.00 0.00 C ATOM 676 CG GLN A 49 -9.010 -9.213 -10.369 1.00 0.00 C ATOM 677 CD GLN A 49 -9.907 -8.654 -11.455 1.00 0.00 C ATOM 678 OE1 GLN A 49 -9.743 -7.511 -11.885 1.00 0.00 O ATOM 679 NE2 GLN A 49 -10.861 -9.459 -11.907 1.00 0.00 N ATOM 0 H GLN A 49 -7.666 -8.777 -7.570 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.463 -9.919 -9.950 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.211 -7.515 -9.341 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.528 -7.776 -10.934 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.613 -10.176 -10.691 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.602 -9.396 -9.472 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.961 -10.398 -11.522 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.494 -9.138 -12.639 1.00 0.00 H new ATOM 688 N SER A 50 -5.364 -7.106 -8.612 1.00 0.00 N ATOM 689 CA SER A 50 -4.236 -6.183 -8.588 1.00 0.00 C ATOM 690 C SER A 50 -4.214 -5.384 -7.287 1.00 0.00 C ATOM 691 O SER A 50 -5.226 -5.277 -6.595 1.00 0.00 O ATOM 692 CB SER A 50 -4.303 -5.230 -9.783 1.00 0.00 C ATOM 693 OG SER A 50 -5.556 -4.569 -9.837 1.00 0.00 O ATOM 0 H SER A 50 -6.086 -6.909 -7.919 1.00 0.00 H new ATOM 0 HA SER A 50 -3.319 -6.769 -8.650 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.502 -4.494 -9.711 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.142 -5.787 -10.706 1.00 0.00 H new ATOM 0 HG SER A 50 -5.574 -3.964 -10.608 1.00 0.00 H new ATOM 699 N PHE A 51 -3.052 -4.828 -6.960 1.00 0.00 N ATOM 700 CA PHE A 51 -2.897 -4.041 -5.743 1.00 0.00 C ATOM 701 C PHE A 51 -2.762 -2.556 -6.069 1.00 0.00 C ATOM 702 O PHE A 51 -2.669 -2.171 -7.234 1.00 0.00 O ATOM 703 CB PHE A 51 -1.674 -4.515 -4.956 1.00 0.00 C ATOM 704 CG PHE A 51 -1.856 -5.862 -4.318 1.00 0.00 C ATOM 705 CD1 PHE A 51 -2.748 -6.032 -3.271 1.00 0.00 C ATOM 706 CD2 PHE A 51 -1.137 -6.959 -4.764 1.00 0.00 C ATOM 707 CE1 PHE A 51 -2.920 -7.270 -2.681 1.00 0.00 C ATOM 708 CE2 PHE A 51 -1.304 -8.199 -4.178 1.00 0.00 C ATOM 709 CZ PHE A 51 -2.195 -8.356 -3.134 1.00 0.00 C ATOM 0 H PHE A 51 -2.204 -4.908 -7.521 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.789 -4.182 -5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.814 -4.552 -5.625 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.445 -3.783 -4.181 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.316 -5.187 -2.912 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.438 -6.844 -5.579 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.620 -7.389 -1.867 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.738 -9.046 -4.536 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.325 -9.324 -2.673 1.00 0.00 H new ATOM 719 N ARG A 52 -2.753 -1.727 -5.030 1.00 0.00 N ATOM 720 CA ARG A 52 -2.631 -0.285 -5.204 1.00 0.00 C ATOM 721 C ARG A 52 -1.892 0.345 -4.027 1.00 0.00 C ATOM 722 O ARG A 52 -2.289 0.185 -2.873 1.00 0.00 O ATOM 723 CB ARG A 52 -4.015 0.350 -5.351 1.00 0.00 C ATOM 724 CG ARG A 52 -4.581 0.261 -6.759 1.00 0.00 C ATOM 725 CD ARG A 52 -5.713 1.254 -6.968 1.00 0.00 C ATOM 726 NE ARG A 52 -6.417 1.023 -8.227 1.00 0.00 N ATOM 727 CZ ARG A 52 -7.643 1.471 -8.476 1.00 0.00 C ATOM 728 NH1 ARG A 52 -8.296 2.169 -7.558 1.00 0.00 N ATOM 729 NH2 ARG A 52 -8.218 1.220 -9.645 1.00 0.00 N ATOM 0 H ARG A 52 -2.829 -2.030 -4.059 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.056 -0.101 -6.111 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.704 -0.137 -4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.957 1.398 -5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.789 0.452 -7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.944 -0.750 -6.943 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.418 1.180 -6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.313 2.268 -6.957 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.942 0.489 -8.954 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.858 2.364 -6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.237 2.512 -7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.719 0.683 -10.354 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.159 1.564 -9.835 1.00 0.00 H new ATOM 743 N VAL A 53 -0.813 1.062 -4.328 1.00 0.00 N ATOM 744 CA VAL A 53 -0.019 1.716 -3.295 1.00 0.00 C ATOM 745 C VAL A 53 -0.250 3.223 -3.297 1.00 0.00 C ATOM 746 O VAL A 53 -0.354 3.843 -4.354 1.00 0.00 O ATOM 747 CB VAL A 53 1.484 1.438 -3.483 1.00 0.00 C ATOM 748 CG1 VAL A 53 2.289 2.066 -2.355 1.00 0.00 C ATOM 749 CG2 VAL A 53 1.742 -0.059 -3.565 1.00 0.00 C ATOM 0 H VAL A 53 -0.470 1.204 -5.278 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.341 1.303 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 53 1.805 1.891 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.349 1.859 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.127 3.144 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.969 1.646 -1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.809 -0.238 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.406 -0.537 -2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.196 -0.476 -4.411 1.00 0.00 H new ATOM 759 N GLU A 54 -0.328 3.806 -2.105 1.00 0.00 N ATOM 760 CA GLU A 54 -0.546 5.242 -1.970 1.00 0.00 C ATOM 761 C GLU A 54 0.367 5.833 -0.900 1.00 0.00 C ATOM 762 O GLU A 54 0.748 5.152 0.052 1.00 0.00 O ATOM 763 CB GLU A 54 -2.008 5.527 -1.622 1.00 0.00 C ATOM 764 CG GLU A 54 -2.964 5.305 -2.781 1.00 0.00 C ATOM 765 CD GLU A 54 -4.355 5.842 -2.501 1.00 0.00 C ATOM 766 OE1 GLU A 54 -4.461 6.935 -1.906 1.00 0.00 O ATOM 767 OE2 GLU A 54 -5.337 5.170 -2.879 1.00 0.00 O ATOM 0 H GLU A 54 -0.244 3.307 -1.220 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.309 5.711 -2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.305 4.889 -0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.097 6.558 -1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.565 5.787 -3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.027 4.238 -2.996 1.00 0.00 H new ATOM 774 N TYR A 55 0.716 7.104 -1.064 1.00 0.00 N ATOM 775 CA TYR A 55 1.587 7.787 -0.116 1.00 0.00 C ATOM 776 C TYR A 55 0.939 9.071 0.393 1.00 0.00 C ATOM 777 O TYR A 55 -0.036 9.559 -0.181 1.00 0.00 O ATOM 778 CB TYR A 55 2.934 8.107 -0.767 1.00 0.00 C ATOM 779 CG TYR A 55 2.818 8.945 -2.019 1.00 0.00 C ATOM 780 CD1 TYR A 55 2.657 10.324 -1.943 1.00 0.00 C ATOM 781 CD2 TYR A 55 2.867 8.360 -3.278 1.00 0.00 C ATOM 782 CE1 TYR A 55 2.550 11.094 -3.084 1.00 0.00 C ATOM 783 CE2 TYR A 55 2.762 9.123 -4.425 1.00 0.00 C ATOM 784 CZ TYR A 55 2.604 10.490 -4.323 1.00 0.00 C ATOM 785 OH TYR A 55 2.497 11.253 -5.463 1.00 0.00 O ATOM 0 H TYR A 55 0.408 7.683 -1.846 1.00 0.00 H new ATOM 0 HA TYR A 55 1.749 7.122 0.732 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.561 8.631 -0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.441 7.173 -1.011 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.615 10.801 -0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.989 7.290 -3.362 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.425 12.164 -3.007 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.803 8.652 -5.396 1.00 0.00 H new ATOM 0 HH TYR A 55 2.556 10.674 -6.251 1.00 0.00 H new ATOM 795 N LYS A 56 1.486 9.614 1.475 1.00 0.00 N ATOM 796 CA LYS A 56 0.965 10.843 2.062 1.00 0.00 C ATOM 797 C LYS A 56 2.096 11.708 2.606 1.00 0.00 C ATOM 798 O LYS A 56 2.984 11.221 3.305 1.00 0.00 O ATOM 799 CB LYS A 56 -0.026 10.516 3.183 1.00 0.00 C ATOM 800 CG LYS A 56 -0.506 11.738 3.946 1.00 0.00 C ATOM 801 CD LYS A 56 -1.668 11.401 4.863 1.00 0.00 C ATOM 802 CE LYS A 56 -1.184 10.916 6.222 1.00 0.00 C ATOM 803 NZ LYS A 56 -0.886 9.457 6.215 1.00 0.00 N ATOM 0 H LYS A 56 2.291 9.222 1.964 1.00 0.00 H new ATOM 0 HA LYS A 56 0.450 11.400 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.888 10.003 2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.444 9.823 3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.316 12.147 4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.810 12.512 3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.297 12.281 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.287 10.632 4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.289 11.468 6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.943 11.128 6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.040 9.067 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.514 8.978 5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.104 9.306 5.935 1.00 0.00 H new ATOM 817 N LYS A 57 2.057 12.997 2.283 1.00 0.00 N ATOM 818 CA LYS A 57 3.077 13.933 2.742 1.00 0.00 C ATOM 819 C LYS A 57 2.795 14.388 4.170 1.00 0.00 C ATOM 820 O LYS A 57 1.650 14.668 4.528 1.00 0.00 O ATOM 821 CB LYS A 57 3.141 15.145 1.811 1.00 0.00 C ATOM 822 CG LYS A 57 3.718 14.832 0.441 1.00 0.00 C ATOM 823 CD LYS A 57 3.130 15.733 -0.632 1.00 0.00 C ATOM 824 CE LYS A 57 3.102 15.041 -1.987 1.00 0.00 C ATOM 825 NZ LYS A 57 3.071 16.021 -3.108 1.00 0.00 N ATOM 0 H LYS A 57 1.329 13.417 1.705 1.00 0.00 H new ATOM 0 HA LYS A 57 4.039 13.420 2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.137 15.552 1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.744 15.922 2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.801 14.953 0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.519 13.790 0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.118 16.024 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.717 16.649 -0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.979 14.402 -2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.227 14.393 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.053 15.511 -4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.221 16.614 -3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.918 16.623 -3.067 1.00 0.00 H new ATOM 839 N LEU A 58 3.844 14.463 4.980 1.00 0.00 N ATOM 840 CA LEU A 58 3.710 14.887 6.370 1.00 0.00 C ATOM 841 C LEU A 58 4.098 16.353 6.531 1.00 0.00 C ATOM 842 O LEU A 58 3.451 17.100 7.265 1.00 0.00 O ATOM 843 CB LEU A 58 4.580 14.015 7.276 1.00 0.00 C ATOM 844 CG LEU A 58 4.293 12.513 7.240 1.00 0.00 C ATOM 845 CD1 LEU A 58 5.258 11.763 8.145 1.00 0.00 C ATOM 846 CD2 LEU A 58 2.853 12.236 7.648 1.00 0.00 C ATOM 0 H LEU A 58 4.798 14.236 4.699 1.00 0.00 H new ATOM 0 HA LEU A 58 2.666 14.772 6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.624 14.172 7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.463 14.362 8.302 1.00 0.00 H new ATOM 0 HG LEU A 58 4.436 12.160 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.038 10.696 8.106 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.280 11.935 7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.148 12.119 9.169 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.666 11.163 7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.684 12.604 8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.176 12.742 6.960 1.00 0.00 H new ATOM 937 N TRP A 64 -3.389 11.571 0.589 1.00 0.00 N ATOM 938 CA TRP A 64 -3.111 10.251 0.035 1.00 0.00 C ATOM 939 C TRP A 64 -3.127 10.287 -1.490 1.00 0.00 C ATOM 940 O TRP A 64 -4.143 10.619 -2.101 1.00 0.00 O ATOM 941 CB TRP A 64 -4.135 9.235 0.545 1.00 0.00 C ATOM 942 CG TRP A 64 -3.964 8.896 1.994 1.00 0.00 C ATOM 943 CD1 TRP A 64 -4.718 9.352 3.037 1.00 0.00 C ATOM 944 CD2 TRP A 64 -2.974 8.030 2.561 1.00 0.00 C ATOM 945 NE1 TRP A 64 -4.257 8.821 4.218 1.00 0.00 N ATOM 946 CE2 TRP A 64 -3.189 8.006 3.953 1.00 0.00 C ATOM 947 CE3 TRP A 64 -1.929 7.270 2.028 1.00 0.00 C ATOM 948 CZ2 TRP A 64 -2.396 7.255 4.815 1.00 0.00 C ATOM 949 CZ3 TRP A 64 -1.143 6.525 2.885 1.00 0.00 C ATOM 950 CH2 TRP A 64 -1.380 6.520 4.266 1.00 0.00 C ATOM 0 HA TRP A 64 -2.116 9.948 0.362 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.138 9.631 0.388 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.056 8.323 -0.046 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.554 10.030 2.947 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.647 9.004 5.142 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.740 7.265 0.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.576 7.252 5.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.332 5.936 2.484 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.749 5.925 4.910 1.00 0.00 H new ATOM 961 N ILE A 65 -1.996 9.943 -2.097 1.00 0.00 N ATOM 962 CA ILE A 65 -1.883 9.935 -3.550 1.00 0.00 C ATOM 963 C ILE A 65 -1.599 8.530 -4.072 1.00 0.00 C ATOM 964 O ILE A 65 -1.340 7.609 -3.297 1.00 0.00 O ATOM 965 CB ILE A 65 -0.770 10.884 -4.034 1.00 0.00 C ATOM 966 CG1 ILE A 65 -0.612 12.056 -3.062 1.00 0.00 C ATOM 967 CG2 ILE A 65 -1.077 11.390 -5.436 1.00 0.00 C ATOM 968 CD1 ILE A 65 -1.768 13.031 -3.097 1.00 0.00 C ATOM 0 H ILE A 65 -1.146 9.667 -1.606 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.840 10.280 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 65 0.169 10.332 -4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.507 11.666 -2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.310 12.589 -3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.281 12.059 -5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.145 10.545 -6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.024 11.929 -5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.588 13.835 -2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.861 13.450 -4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.690 12.512 -2.834 1.00 0.00 H new ATOM 980 N LEU A 66 -1.646 8.374 -5.390 1.00 0.00 N ATOM 981 CA LEU A 66 -1.392 7.081 -6.017 1.00 0.00 C ATOM 982 C LEU A 66 -0.006 7.047 -6.652 1.00 0.00 C ATOM 983 O LEU A 66 0.369 7.952 -7.396 1.00 0.00 O ATOM 984 CB LEU A 66 -2.457 6.787 -7.074 1.00 0.00 C ATOM 985 CG LEU A 66 -2.260 5.506 -7.887 1.00 0.00 C ATOM 986 CD1 LEU A 66 -2.183 4.297 -6.967 1.00 0.00 C ATOM 987 CD2 LEU A 66 -3.386 5.338 -8.897 1.00 0.00 C ATOM 0 H LEU A 66 -1.858 9.126 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.436 6.315 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.427 6.734 -6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.497 7.629 -7.765 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.319 5.584 -8.431 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.043 3.395 -7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.343 4.414 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.108 4.215 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.230 4.422 -9.467 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.340 5.281 -8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.396 6.190 -9.576 1.00 0.00 H new ATOM 999 N ALA A 67 0.751 5.996 -6.353 1.00 0.00 N ATOM 1000 CA ALA A 67 2.094 5.842 -6.898 1.00 0.00 C ATOM 1001 C ALA A 67 2.114 4.819 -8.027 1.00 0.00 C ATOM 1002 O ALA A 67 2.299 5.169 -9.194 1.00 0.00 O ATOM 1003 CB ALA A 67 3.066 5.437 -5.798 1.00 0.00 C ATOM 0 H ALA A 67 0.457 5.239 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 67 2.406 6.802 -7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.065 5.325 -6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.081 6.205 -5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.748 4.490 -5.362 1.00 0.00 H new ATOM 1009 N THR A 68 1.924 3.551 -7.676 1.00 0.00 N ATOM 1010 CA THR A 68 1.922 2.477 -8.660 1.00 0.00 C ATOM 1011 C THR A 68 0.563 1.788 -8.719 1.00 0.00 C ATOM 1012 O THR A 68 -0.311 2.045 -7.891 1.00 0.00 O ATOM 1013 CB THR A 68 3.004 1.426 -8.347 1.00 0.00 C ATOM 1014 OG1 THR A 68 3.145 0.525 -9.451 1.00 0.00 O ATOM 1015 CG2 THR A 68 2.653 0.646 -7.090 1.00 0.00 C ATOM 0 H THR A 68 1.769 3.243 -6.716 1.00 0.00 H new ATOM 0 HA THR A 68 2.138 2.933 -9.626 1.00 0.00 H new ATOM 0 HB THR A 68 3.947 1.946 -8.180 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.836 -0.139 -9.245 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.431 -0.090 -6.889 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.576 1.332 -6.246 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.700 0.136 -7.232 1.00 0.00 H new ATOM 1023 N SER A 69 0.392 0.911 -9.704 1.00 0.00 N ATOM 1024 CA SER A 69 -0.863 0.187 -9.872 1.00 0.00 C ATOM 1025 C SER A 69 -0.699 -0.958 -10.868 1.00 0.00 C ATOM 1026 O SER A 69 0.304 -1.042 -11.575 1.00 0.00 O ATOM 1027 CB SER A 69 -1.964 1.137 -10.347 1.00 0.00 C ATOM 1028 OG SER A 69 -1.770 1.507 -11.701 1.00 0.00 O ATOM 0 H SER A 69 1.106 0.685 -10.397 1.00 0.00 H new ATOM 0 HA SER A 69 -1.146 -0.231 -8.906 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.936 0.657 -10.234 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.974 2.029 -9.721 1.00 0.00 H new ATOM 0 HG SER A 69 -2.488 2.113 -11.981 1.00 0.00 H new ATOM 1034 N ALA A 70 -1.693 -1.839 -10.915 1.00 0.00 N ATOM 1035 CA ALA A 70 -1.663 -2.978 -11.824 1.00 0.00 C ATOM 1036 C ALA A 70 -0.634 -4.010 -11.375 1.00 0.00 C ATOM 1037 O ALA A 70 -0.086 -4.751 -12.192 1.00 0.00 O ATOM 1038 CB ALA A 70 -1.363 -2.514 -13.242 1.00 0.00 C ATOM 0 H ALA A 70 -2.529 -1.786 -10.334 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.645 -3.451 -11.808 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.344 -3.375 -13.910 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.136 -1.819 -13.569 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.394 -2.016 -13.264 1.00 0.00 H new ATOM 1044 N ILE A 71 -0.376 -4.052 -10.072 1.00 0.00 N ATOM 1045 CA ILE A 71 0.588 -4.995 -9.516 1.00 0.00 C ATOM 1046 C ILE A 71 -0.012 -6.393 -9.406 1.00 0.00 C ATOM 1047 O ILE A 71 -1.160 -6.573 -9.001 1.00 0.00 O ATOM 1048 CB ILE A 71 1.074 -4.547 -8.125 1.00 0.00 C ATOM 1049 CG1 ILE A 71 1.654 -3.133 -8.195 1.00 0.00 C ATOM 1050 CG2 ILE A 71 2.109 -5.523 -7.586 1.00 0.00 C ATOM 1051 CD1 ILE A 71 2.063 -2.580 -6.847 1.00 0.00 C ATOM 0 H ILE A 71 -0.820 -3.445 -9.382 1.00 0.00 H new ATOM 0 HA ILE A 71 1.437 -5.019 -10.199 1.00 0.00 H new ATOM 0 HB ILE A 71 0.223 -4.538 -7.444 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.521 -3.137 -8.855 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.916 -2.468 -8.643 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.443 -5.193 -6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.666 -6.515 -7.504 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.961 -5.561 -8.264 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.465 -1.575 -6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.194 -2.543 -6.190 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.825 -3.223 -6.406 1.00 0.00 H new ATOM 1063 N PRO A 72 0.783 -7.408 -9.774 1.00 0.00 N ATOM 1064 CA PRO A 72 0.355 -8.809 -9.723 1.00 0.00 C ATOM 1065 C PRO A 72 0.202 -9.317 -8.294 1.00 0.00 C ATOM 1066 O PRO A 72 0.792 -8.785 -7.353 1.00 0.00 O ATOM 1067 CB PRO A 72 1.485 -9.552 -10.438 1.00 0.00 C ATOM 1068 CG PRO A 72 2.680 -8.679 -10.267 1.00 0.00 C ATOM 1069 CD PRO A 72 2.164 -7.267 -10.266 1.00 0.00 C ATOM 0 HA PRO A 72 -0.624 -8.953 -10.181 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.649 -10.537 -10.002 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.254 -9.704 -11.492 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.199 -8.906 -9.336 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.395 -8.833 -11.076 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.758 -6.623 -9.617 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.192 -6.828 -11.263 1.00 0.00 H new ATOM 1077 N PRO A 73 -0.607 -10.373 -8.124 1.00 0.00 N ATOM 1078 CA PRO A 73 -0.855 -10.977 -6.811 1.00 0.00 C ATOM 1079 C PRO A 73 0.370 -11.705 -6.267 1.00 0.00 C ATOM 1080 O PRO A 73 0.477 -11.946 -5.065 1.00 0.00 O ATOM 1081 CB PRO A 73 -1.988 -11.970 -7.086 1.00 0.00 C ATOM 1082 CG PRO A 73 -1.856 -12.305 -8.532 1.00 0.00 C ATOM 1083 CD PRO A 73 -1.342 -11.060 -9.199 1.00 0.00 C ATOM 0 HA PRO A 73 -1.099 -10.228 -6.057 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.894 -12.860 -6.463 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.961 -11.530 -6.869 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.169 -13.138 -8.679 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.816 -12.605 -8.952 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.693 -11.295 -10.042 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.156 -10.446 -9.585 1.00 0.00 H new ATOM 1091 N SER A 74 1.292 -12.051 -7.160 1.00 0.00 N ATOM 1092 CA SER A 74 2.508 -12.753 -6.768 1.00 0.00 C ATOM 1093 C SER A 74 3.566 -11.773 -6.271 1.00 0.00 C ATOM 1094 O SER A 74 4.461 -12.142 -5.511 1.00 0.00 O ATOM 1095 CB SER A 74 3.058 -13.559 -7.947 1.00 0.00 C ATOM 1096 OG SER A 74 3.494 -12.705 -8.990 1.00 0.00 O ATOM 0 H SER A 74 1.220 -11.857 -8.159 1.00 0.00 H new ATOM 0 HA SER A 74 2.258 -13.434 -5.954 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.888 -14.181 -7.611 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.287 -14.232 -8.322 1.00 0.00 H new ATOM 0 HG SER A 74 3.842 -13.244 -9.730 1.00 0.00 H new ATOM 1102 N ARG A 75 3.455 -10.522 -6.705 1.00 0.00 N ATOM 1103 CA ARG A 75 4.401 -9.488 -6.305 1.00 0.00 C ATOM 1104 C ARG A 75 3.930 -8.780 -5.039 1.00 0.00 C ATOM 1105 O ARG A 75 3.081 -7.888 -5.092 1.00 0.00 O ATOM 1106 CB ARG A 75 4.584 -8.471 -7.433 1.00 0.00 C ATOM 1107 CG ARG A 75 5.619 -7.401 -7.127 1.00 0.00 C ATOM 1108 CD ARG A 75 6.285 -6.888 -8.395 1.00 0.00 C ATOM 1109 NE ARG A 75 7.658 -6.451 -8.155 1.00 0.00 N ATOM 1110 CZ ARG A 75 8.574 -6.350 -9.111 1.00 0.00 C ATOM 1111 NH1 ARG A 75 8.266 -6.654 -10.364 1.00 0.00 N ATOM 1112 NH2 ARG A 75 9.802 -5.945 -8.814 1.00 0.00 N ATOM 0 H ARG A 75 2.719 -10.200 -7.334 1.00 0.00 H new ATOM 0 HA ARG A 75 5.358 -9.967 -6.098 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.876 -8.998 -8.342 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.627 -7.991 -7.637 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.142 -6.572 -6.604 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.376 -7.807 -6.456 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.282 -7.675 -9.150 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.706 -6.057 -8.798 1.00 0.00 H new ATOM 0 HE ARG A 75 7.928 -6.210 -7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.323 -6.966 -10.596 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.972 -6.575 -11.096 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.043 -5.711 -7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.505 -5.868 -9.549 1.00 0.00 H new ATOM 1126 N LEU A 76 4.485 -9.181 -3.901 1.00 0.00 N ATOM 1127 CA LEU A 76 4.122 -8.586 -2.620 1.00 0.00 C ATOM 1128 C LEU A 76 5.106 -7.487 -2.232 1.00 0.00 C ATOM 1129 O LEU A 76 5.147 -7.055 -1.080 1.00 0.00 O ATOM 1130 CB LEU A 76 4.081 -9.659 -1.530 1.00 0.00 C ATOM 1131 CG LEU A 76 3.227 -10.890 -1.832 1.00 0.00 C ATOM 1132 CD1 LEU A 76 3.276 -11.871 -0.671 1.00 0.00 C ATOM 1133 CD2 LEU A 76 1.791 -10.483 -2.129 1.00 0.00 C ATOM 0 H LEU A 76 5.189 -9.917 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 76 3.132 -8.142 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.101 -9.989 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.712 -9.202 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 76 3.634 -11.383 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.662 -12.741 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.306 -12.187 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.895 -11.389 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.197 -11.372 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.373 -9.966 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.772 -9.819 -2.993 1.00 0.00 H new ATOM 1145 N SER A 77 5.896 -7.037 -3.201 1.00 0.00 N ATOM 1146 CA SER A 77 6.881 -5.990 -2.961 1.00 0.00 C ATOM 1147 C SER A 77 7.212 -5.248 -4.253 1.00 0.00 C ATOM 1148 O SER A 77 7.394 -5.860 -5.304 1.00 0.00 O ATOM 1149 CB SER A 77 8.156 -6.587 -2.362 1.00 0.00 C ATOM 1150 OG SER A 77 9.285 -5.786 -2.664 1.00 0.00 O ATOM 0 H SER A 77 5.873 -7.382 -4.161 1.00 0.00 H new ATOM 0 HA SER A 77 6.454 -5.279 -2.254 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.047 -6.675 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.307 -7.594 -2.750 1.00 0.00 H new ATOM 0 HG SER A 77 10.087 -6.188 -2.269 1.00 0.00 H new ATOM 1156 N VAL A 78 7.288 -3.924 -4.164 1.00 0.00 N ATOM 1157 CA VAL A 78 7.597 -3.097 -5.324 1.00 0.00 C ATOM 1158 C VAL A 78 8.327 -1.824 -4.913 1.00 0.00 C ATOM 1159 O VAL A 78 8.316 -1.441 -3.743 1.00 0.00 O ATOM 1160 CB VAL A 78 6.321 -2.717 -6.099 1.00 0.00 C ATOM 1161 CG1 VAL A 78 5.407 -3.923 -6.248 1.00 0.00 C ATOM 1162 CG2 VAL A 78 5.598 -1.572 -5.405 1.00 0.00 C ATOM 0 H VAL A 78 7.140 -3.401 -3.301 1.00 0.00 H new ATOM 0 HA VAL A 78 8.243 -3.690 -5.972 1.00 0.00 H new ATOM 0 HB VAL A 78 6.608 -2.384 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.511 -3.635 -6.798 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.929 -4.710 -6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.125 -4.290 -5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.699 -1.316 -5.966 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.322 -1.875 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.255 -0.703 -5.356 1.00 0.00 H new ATOM 1172 N GLU A 79 8.961 -1.171 -5.882 1.00 0.00 N ATOM 1173 CA GLU A 79 9.697 0.060 -5.619 1.00 0.00 C ATOM 1174 C GLU A 79 8.863 1.283 -5.990 1.00 0.00 C ATOM 1175 O GLU A 79 8.579 1.520 -7.164 1.00 0.00 O ATOM 1176 CB GLU A 79 11.013 0.071 -6.401 1.00 0.00 C ATOM 1177 CG GLU A 79 11.967 1.172 -5.971 1.00 0.00 C ATOM 1178 CD GLU A 79 13.383 0.940 -6.460 1.00 0.00 C ATOM 1179 OE1 GLU A 79 13.626 -0.101 -7.105 1.00 0.00 O ATOM 1180 OE2 GLU A 79 14.249 1.802 -6.199 1.00 0.00 O ATOM 0 H GLU A 79 8.980 -1.474 -6.856 1.00 0.00 H new ATOM 0 HA GLU A 79 9.916 0.101 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.506 -0.893 -6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.794 0.186 -7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.607 2.128 -6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.969 1.242 -4.883 1.00 0.00 H new ATOM 1187 N ILE A 80 8.472 2.053 -4.980 1.00 0.00 N ATOM 1188 CA ILE A 80 7.672 3.251 -5.200 1.00 0.00 C ATOM 1189 C ILE A 80 8.541 4.418 -5.657 1.00 0.00 C ATOM 1190 O ILE A 80 9.220 5.054 -4.850 1.00 0.00 O ATOM 1191 CB ILE A 80 6.911 3.661 -3.924 1.00 0.00 C ATOM 1192 CG1 ILE A 80 6.049 2.499 -3.424 1.00 0.00 C ATOM 1193 CG2 ILE A 80 6.053 4.888 -4.191 1.00 0.00 C ATOM 1194 CD1 ILE A 80 5.065 1.990 -4.454 1.00 0.00 C ATOM 0 H ILE A 80 8.696 1.869 -4.002 1.00 0.00 H new ATOM 0 HA ILE A 80 6.952 3.010 -5.982 1.00 0.00 H new ATOM 0 HB ILE A 80 7.636 3.911 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.700 1.680 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.502 2.819 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.522 5.166 -3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.689 5.715 -4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.332 4.664 -4.978 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.488 1.167 -4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.390 2.796 -4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.607 1.639 -5.332 1.00 0.00 H new ATOM 1206 N THR A 81 8.515 4.695 -6.957 1.00 0.00 N ATOM 1207 CA THR A 81 9.299 5.786 -7.521 1.00 0.00 C ATOM 1208 C THR A 81 8.448 7.037 -7.707 1.00 0.00 C ATOM 1209 O THR A 81 7.223 6.988 -7.601 1.00 0.00 O ATOM 1210 CB THR A 81 9.914 5.392 -8.877 1.00 0.00 C ATOM 1211 OG1 THR A 81 8.891 5.309 -9.875 1.00 0.00 O ATOM 1212 CG2 THR A 81 10.639 4.057 -8.775 1.00 0.00 C ATOM 0 H THR A 81 7.959 4.179 -7.639 1.00 0.00 H new ATOM 0 HA THR A 81 10.101 5.998 -6.813 1.00 0.00 H new ATOM 0 HB THR A 81 10.635 6.159 -9.160 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.291 5.060 -10.734 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.065 3.799 -9.745 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.437 4.132 -8.036 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.935 3.283 -8.471 1.00 0.00 H new ATOM 1220 N GLY A 82 9.106 8.159 -7.985 1.00 0.00 N ATOM 1221 CA GLY A 82 8.393 9.407 -8.182 1.00 0.00 C ATOM 1222 C GLY A 82 8.102 10.121 -6.876 1.00 0.00 C ATOM 1223 O GLY A 82 7.020 10.678 -6.692 1.00 0.00 O ATOM 0 H GLY A 82 10.120 8.225 -8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.981 10.060 -8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.455 9.208 -8.701 1.00 0.00 H new ATOM 1227 N LEU A 83 9.071 10.104 -5.966 1.00 0.00 N ATOM 1228 CA LEU A 83 8.915 10.753 -4.670 1.00 0.00 C ATOM 1229 C LEU A 83 9.693 12.063 -4.620 1.00 0.00 C ATOM 1230 O LEU A 83 10.273 12.491 -5.618 1.00 0.00 O ATOM 1231 CB LEU A 83 9.387 9.823 -3.551 1.00 0.00 C ATOM 1232 CG LEU A 83 8.814 8.405 -3.570 1.00 0.00 C ATOM 1233 CD1 LEU A 83 9.401 7.577 -2.439 1.00 0.00 C ATOM 1234 CD2 LEU A 83 7.296 8.441 -3.476 1.00 0.00 C ATOM 0 H LEU A 83 9.973 9.647 -6.103 1.00 0.00 H new ATOM 0 HA LEU A 83 7.857 10.974 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.474 9.755 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.136 10.282 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 83 9.088 7.936 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.982 6.571 -2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.484 7.522 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.159 8.043 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.906 7.423 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.000 8.929 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.892 8.997 -4.322 1.00 0.00 H new ATOM 1246 N GLU A 84 9.703 12.696 -3.450 1.00 0.00 N ATOM 1247 CA GLU A 84 10.413 13.957 -3.270 1.00 0.00 C ATOM 1248 C GLU A 84 11.349 13.888 -2.067 1.00 0.00 C ATOM 1249 O GLU A 84 10.950 13.472 -0.979 1.00 0.00 O ATOM 1250 CB GLU A 84 9.417 15.106 -3.092 1.00 0.00 C ATOM 1251 CG GLU A 84 8.638 15.437 -4.353 1.00 0.00 C ATOM 1252 CD GLU A 84 7.704 16.618 -4.168 1.00 0.00 C ATOM 1253 OE1 GLU A 84 8.032 17.515 -3.365 1.00 0.00 O ATOM 1254 OE2 GLU A 84 6.644 16.643 -4.829 1.00 0.00 O ATOM 0 H GLU A 84 9.228 12.356 -2.614 1.00 0.00 H new ATOM 0 HA GLU A 84 11.012 14.139 -4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.715 14.848 -2.299 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.956 15.995 -2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.337 15.654 -5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.059 14.565 -4.658 1.00 0.00 H new ATOM 1261 N LYS A 85 12.595 14.299 -2.270 1.00 0.00 N ATOM 1262 CA LYS A 85 13.589 14.286 -1.203 1.00 0.00 C ATOM 1263 C LYS A 85 13.293 15.369 -0.170 1.00 0.00 C ATOM 1264 O LYS A 85 12.639 16.366 -0.472 1.00 0.00 O ATOM 1265 CB LYS A 85 14.991 14.489 -1.783 1.00 0.00 C ATOM 1266 CG LYS A 85 15.671 13.196 -2.197 1.00 0.00 C ATOM 1267 CD LYS A 85 16.611 13.412 -3.372 1.00 0.00 C ATOM 1268 CE LYS A 85 15.871 13.338 -4.698 1.00 0.00 C ATOM 1269 NZ LYS A 85 15.343 14.667 -5.115 1.00 0.00 N ATOM 0 H LYS A 85 12.942 14.646 -3.164 1.00 0.00 H new ATOM 0 HA LYS A 85 13.543 13.316 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.925 15.148 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.611 14.995 -1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.229 12.791 -1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.916 12.456 -2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.095 14.384 -3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.400 12.660 -3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.542 12.956 -5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.047 12.630 -4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.282 14.706 -6.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.397 14.808 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.981 15.416 -4.777 1.00 0.00 H new ATOM 1283 N GLY A 86 13.781 15.165 1.050 1.00 0.00 N ATOM 1284 CA GLY A 86 13.558 16.133 2.109 1.00 0.00 C ATOM 1285 C GLY A 86 12.099 16.227 2.510 1.00 0.00 C ATOM 1286 O GLY A 86 11.708 17.142 3.236 1.00 0.00 O ATOM 0 H GLY A 86 14.326 14.348 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.154 15.859 2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.905 17.113 1.781 1.00 0.00 H new ATOM 1290 N ILE A 87 11.294 15.283 2.036 1.00 0.00 N ATOM 1291 CA ILE A 87 9.870 15.265 2.350 1.00 0.00 C ATOM 1292 C ILE A 87 9.458 13.929 2.957 1.00 0.00 C ATOM 1293 O ILE A 87 9.545 12.887 2.308 1.00 0.00 O ATOM 1294 CB ILE A 87 9.015 15.534 1.097 1.00 0.00 C ATOM 1295 CG1 ILE A 87 9.277 16.944 0.566 1.00 0.00 C ATOM 1296 CG2 ILE A 87 7.539 15.347 1.415 1.00 0.00 C ATOM 1297 CD1 ILE A 87 8.730 18.037 1.457 1.00 0.00 C ATOM 0 H ILE A 87 11.603 14.520 1.433 1.00 0.00 H new ATOM 0 HA ILE A 87 9.696 16.059 3.076 1.00 0.00 H new ATOM 0 HB ILE A 87 9.294 14.819 0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.351 17.086 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.833 17.038 -0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.947 15.540 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.366 14.325 1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.245 16.042 2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.953 19.010 1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.651 17.921 1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.192 17.969 2.442 1.00 0.00 H new ATOM 1309 N SER A 88 9.008 13.968 4.207 1.00 0.00 N ATOM 1310 CA SER A 88 8.582 12.759 4.904 1.00 0.00 C ATOM 1311 C SER A 88 7.160 12.376 4.508 1.00 0.00 C ATOM 1312 O SER A 88 6.273 13.226 4.434 1.00 0.00 O ATOM 1313 CB SER A 88 8.666 12.962 6.417 1.00 0.00 C ATOM 1314 OG SER A 88 9.654 13.923 6.750 1.00 0.00 O ATOM 0 H SER A 88 8.929 14.823 4.758 1.00 0.00 H new ATOM 0 HA SER A 88 9.251 11.948 4.616 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.697 13.285 6.798 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.899 12.014 6.902 1.00 0.00 H new ATOM 0 HG SER A 88 9.686 14.035 7.723 1.00 0.00 H new ATOM 1320 N TYR A 89 6.951 11.088 4.255 1.00 0.00 N ATOM 1321 CA TYR A 89 5.637 10.591 3.865 1.00 0.00 C ATOM 1322 C TYR A 89 5.482 9.117 4.227 1.00 0.00 C ATOM 1323 O TYR A 89 6.466 8.421 4.479 1.00 0.00 O ATOM 1324 CB TYR A 89 5.421 10.782 2.362 1.00 0.00 C ATOM 1325 CG TYR A 89 6.705 10.774 1.561 1.00 0.00 C ATOM 1326 CD1 TYR A 89 7.542 9.666 1.567 1.00 0.00 C ATOM 1327 CD2 TYR A 89 7.078 11.875 0.799 1.00 0.00 C ATOM 1328 CE1 TYR A 89 8.716 9.655 0.837 1.00 0.00 C ATOM 1329 CE2 TYR A 89 8.248 11.871 0.065 1.00 0.00 C ATOM 1330 CZ TYR A 89 9.064 10.759 0.088 1.00 0.00 C ATOM 1331 OH TYR A 89 10.231 10.752 -0.641 1.00 0.00 O ATOM 0 H TYR A 89 7.674 10.371 4.313 1.00 0.00 H new ATOM 0 HA TYR A 89 4.885 11.162 4.410 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.768 9.991 1.994 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.904 11.727 2.195 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.272 8.799 2.151 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.442 12.748 0.781 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.357 8.786 0.853 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.523 12.734 -0.524 1.00 0.00 H new ATOM 0 HH TYR A 89 10.529 11.674 -0.791 1.00 0.00 H new ATOM 1341 N LYS A 90 4.239 8.648 4.253 1.00 0.00 N ATOM 1342 CA LYS A 90 3.953 7.257 4.583 1.00 0.00 C ATOM 1343 C LYS A 90 3.531 6.478 3.342 1.00 0.00 C ATOM 1344 O LYS A 90 3.436 7.038 2.249 1.00 0.00 O ATOM 1345 CB LYS A 90 2.852 7.179 5.644 1.00 0.00 C ATOM 1346 CG LYS A 90 3.135 8.022 6.876 1.00 0.00 C ATOM 1347 CD LYS A 90 2.409 7.484 8.098 1.00 0.00 C ATOM 1348 CE LYS A 90 3.179 7.777 9.377 1.00 0.00 C ATOM 1349 NZ LYS A 90 2.594 7.070 10.550 1.00 0.00 N ATOM 0 H LYS A 90 3.413 9.211 4.049 1.00 0.00 H new ATOM 0 HA LYS A 90 4.865 6.810 4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.909 7.501 5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.723 6.140 5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.208 8.040 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.827 9.051 6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.417 7.931 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.269 6.408 7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.219 7.475 9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.179 8.851 9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.146 7.295 11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.609 7.377 10.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.617 6.044 10.384 1.00 0.00 H new ATOM 1363 N PHE A 91 3.280 5.186 3.516 1.00 0.00 N ATOM 1364 CA PHE A 91 2.869 4.330 2.409 1.00 0.00 C ATOM 1365 C PHE A 91 1.736 3.399 2.832 1.00 0.00 C ATOM 1366 O PHE A 91 1.522 3.166 4.023 1.00 0.00 O ATOM 1367 CB PHE A 91 4.056 3.509 1.902 1.00 0.00 C ATOM 1368 CG PHE A 91 5.208 4.348 1.431 1.00 0.00 C ATOM 1369 CD1 PHE A 91 6.148 4.827 2.330 1.00 0.00 C ATOM 1370 CD2 PHE A 91 5.352 4.660 0.088 1.00 0.00 C ATOM 1371 CE1 PHE A 91 7.209 5.601 1.899 1.00 0.00 C ATOM 1372 CE2 PHE A 91 6.411 5.433 -0.349 1.00 0.00 C ATOM 1373 CZ PHE A 91 7.341 5.903 0.557 1.00 0.00 C ATOM 0 H PHE A 91 3.354 4.707 4.414 1.00 0.00 H new ATOM 0 HA PHE A 91 2.509 4.970 1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.399 2.850 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.723 2.871 1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.050 4.593 3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.628 4.295 -0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.934 5.969 2.610 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.511 5.669 -1.398 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.170 6.506 0.217 1.00 0.00 H new ATOM 1383 N ARG A 92 1.013 2.872 1.850 1.00 0.00 N ATOM 1384 CA ARG A 92 -0.099 1.969 2.120 1.00 0.00 C ATOM 1385 C ARG A 92 -0.294 0.986 0.968 1.00 0.00 C ATOM 1386 O ARG A 92 0.410 1.048 -0.040 1.00 0.00 O ATOM 1387 CB ARG A 92 -1.386 2.763 2.350 1.00 0.00 C ATOM 1388 CG ARG A 92 -1.950 3.388 1.084 1.00 0.00 C ATOM 1389 CD ARG A 92 -3.456 3.574 1.177 1.00 0.00 C ATOM 1390 NE ARG A 92 -3.828 4.497 2.245 1.00 0.00 N ATOM 1391 CZ ARG A 92 -4.994 5.133 2.294 1.00 0.00 C ATOM 1392 NH1 ARG A 92 -5.894 4.948 1.339 1.00 0.00 N ATOM 1393 NH2 ARG A 92 -5.260 5.957 3.299 1.00 0.00 N ATOM 0 H ARG A 92 1.177 3.055 0.860 1.00 0.00 H new ATOM 0 HA ARG A 92 0.137 1.404 3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.137 2.104 2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.192 3.550 3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.473 4.353 0.910 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.713 2.756 0.228 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.834 3.949 0.226 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.931 2.608 1.351 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.156 4.663 2.995 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.693 4.316 0.564 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.788 5.437 1.379 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.569 6.103 4.035 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.155 6.445 3.335 1.00 0.00 H new ATOM 1407 N VAL A 93 -1.254 0.081 1.125 1.00 0.00 N ATOM 1408 CA VAL A 93 -1.542 -0.914 0.099 1.00 0.00 C ATOM 1409 C VAL A 93 -3.025 -1.266 0.076 1.00 0.00 C ATOM 1410 O VAL A 93 -3.651 -1.427 1.124 1.00 0.00 O ATOM 1411 CB VAL A 93 -0.723 -2.200 0.318 1.00 0.00 C ATOM 1412 CG1 VAL A 93 -1.074 -3.242 -0.732 1.00 0.00 C ATOM 1413 CG2 VAL A 93 0.767 -1.892 0.300 1.00 0.00 C ATOM 0 H VAL A 93 -1.846 0.016 1.953 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.262 -0.473 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.974 -2.608 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.485 -4.143 -0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.135 -3.483 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.854 -2.848 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.331 -2.812 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.038 -1.460 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.002 -1.183 1.094 1.00 0.00 H new ATOM 1423 N ARG A 94 -3.580 -1.387 -1.125 1.00 0.00 N ATOM 1424 CA ARG A 94 -4.990 -1.719 -1.285 1.00 0.00 C ATOM 1425 C ARG A 94 -5.168 -2.882 -2.256 1.00 0.00 C ATOM 1426 O ARG A 94 -4.462 -2.979 -3.260 1.00 0.00 O ATOM 1427 CB ARG A 94 -5.771 -0.502 -1.783 1.00 0.00 C ATOM 1428 CG ARG A 94 -6.227 0.426 -0.669 1.00 0.00 C ATOM 1429 CD ARG A 94 -7.448 1.234 -1.082 1.00 0.00 C ATOM 1430 NE ARG A 94 -7.906 2.119 -0.014 1.00 0.00 N ATOM 1431 CZ ARG A 94 -8.634 3.209 -0.224 1.00 0.00 C ATOM 1432 NH1 ARG A 94 -8.985 3.549 -1.458 1.00 0.00 N ATOM 1433 NH2 ARG A 94 -9.013 3.963 0.800 1.00 0.00 N ATOM 0 H ARG A 94 -3.074 -1.260 -2.002 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.379 -2.017 -0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.148 0.059 -2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.644 -0.844 -2.340 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.460 -0.159 0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.415 1.102 -0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.209 1.826 -1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.254 0.556 -1.361 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.652 1.887 0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.695 2.972 -2.248 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.544 4.387 -1.616 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.745 3.705 1.750 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.572 4.800 0.637 1.00 0.00 H new ATOM 1447 N ALA A 95 -6.115 -3.764 -1.950 1.00 0.00 N ATOM 1448 CA ALA A 95 -6.385 -4.920 -2.796 1.00 0.00 C ATOM 1449 C ALA A 95 -7.620 -4.689 -3.660 1.00 0.00 C ATOM 1450 O ALA A 95 -8.664 -4.256 -3.168 1.00 0.00 O ATOM 1451 CB ALA A 95 -6.560 -6.168 -1.944 1.00 0.00 C ATOM 0 H ALA A 95 -6.708 -3.700 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.531 -5.063 -3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.761 -7.024 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.649 -6.350 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.395 -6.026 -1.258 1.00 0.00 H new ATOM 1457 N LEU A 96 -7.496 -4.981 -4.950 1.00 0.00 N ATOM 1458 CA LEU A 96 -8.603 -4.805 -5.884 1.00 0.00 C ATOM 1459 C LEU A 96 -8.895 -6.101 -6.634 1.00 0.00 C ATOM 1460 O LEU A 96 -8.036 -6.626 -7.342 1.00 0.00 O ATOM 1461 CB LEU A 96 -8.285 -3.688 -6.879 1.00 0.00 C ATOM 1462 CG LEU A 96 -8.525 -2.260 -6.385 1.00 0.00 C ATOM 1463 CD1 LEU A 96 -7.390 -1.810 -5.480 1.00 0.00 C ATOM 1464 CD2 LEU A 96 -8.682 -1.309 -7.562 1.00 0.00 C ATOM 0 H LEU A 96 -6.640 -5.341 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.489 -4.531 -5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.240 -3.778 -7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.884 -3.846 -7.776 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.449 -2.246 -5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.579 -0.792 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.326 -2.475 -4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.451 -1.839 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.852 -0.298 -7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.776 -1.327 -8.167 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.531 -1.620 -8.171 1.00 0.00 H new ATOM 1476 N ASN A 97 -10.112 -6.610 -6.474 1.00 0.00 N ATOM 1477 CA ASN A 97 -10.518 -7.844 -7.137 1.00 0.00 C ATOM 1478 C ASN A 97 -11.767 -7.622 -7.984 1.00 0.00 C ATOM 1479 O ASN A 97 -12.232 -6.494 -8.137 1.00 0.00 O ATOM 1480 CB ASN A 97 -10.777 -8.942 -6.104 1.00 0.00 C ATOM 1481 CG ASN A 97 -12.062 -8.714 -5.329 1.00 0.00 C ATOM 1482 OD1 ASN A 97 -12.676 -7.652 -5.423 1.00 0.00 O ATOM 1483 ND2 ASN A 97 -12.472 -9.714 -4.557 1.00 0.00 N ATOM 0 H ASN A 97 -10.834 -6.187 -5.891 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.707 -8.157 -7.794 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.826 -9.907 -6.608 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -9.939 -8.988 -5.408 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.328 -9.619 -4.011 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.930 -10.577 -4.510 1.00 0.00 H new ATOM 1490 N MET A 98 -12.304 -8.707 -8.532 1.00 0.00 N ATOM 1491 CA MET A 98 -13.501 -8.630 -9.362 1.00 0.00 C ATOM 1492 C MET A 98 -14.718 -8.247 -8.527 1.00 0.00 C ATOM 1493 O MET A 98 -15.825 -8.111 -9.050 1.00 0.00 O ATOM 1494 CB MET A 98 -13.748 -9.968 -10.062 1.00 0.00 C ATOM 1495 CG MET A 98 -13.868 -11.142 -9.104 1.00 0.00 C ATOM 1496 SD MET A 98 -14.157 -12.706 -9.954 1.00 0.00 S ATOM 1497 CE MET A 98 -15.948 -12.756 -9.971 1.00 0.00 C ATOM 0 H MET A 98 -11.930 -9.649 -8.417 1.00 0.00 H new ATOM 0 HA MET A 98 -13.342 -7.858 -10.115 1.00 0.00 H new ATOM 0 HB2 MET A 98 -14.661 -9.897 -10.652 1.00 0.00 H new ATOM 0 HB3 MET A 98 -12.932 -10.160 -10.759 1.00 0.00 H new ATOM 0 HG2 MET A 98 -12.956 -11.218 -8.512 1.00 0.00 H new ATOM 0 HG3 MET A 98 -14.685 -10.955 -8.407 1.00 0.00 H new ATOM 0 HE1 MET A 98 -16.284 -13.790 -9.895 1.00 0.00 H new ATOM 0 HE2 MET A 98 -16.336 -12.185 -9.127 1.00 0.00 H new ATOM 0 HE3 MET A 98 -16.315 -12.323 -10.901 1.00 0.00 H new ATOM 1507 N LEU A 99 -14.508 -8.074 -7.227 1.00 0.00 N ATOM 1508 CA LEU A 99 -15.588 -7.706 -6.318 1.00 0.00 C ATOM 1509 C LEU A 99 -15.469 -6.246 -5.892 1.00 0.00 C ATOM 1510 O LEU A 99 -16.460 -5.609 -5.537 1.00 0.00 O ATOM 1511 CB LEU A 99 -15.576 -8.612 -5.086 1.00 0.00 C ATOM 1512 CG LEU A 99 -15.602 -10.116 -5.359 1.00 0.00 C ATOM 1513 CD1 LEU A 99 -15.660 -10.895 -4.053 1.00 0.00 C ATOM 1514 CD2 LEU A 99 -16.782 -10.477 -6.250 1.00 0.00 C ATOM 0 H LEU A 99 -13.599 -8.183 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.533 -7.835 -6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.685 -8.385 -4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.437 -8.361 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.683 -10.387 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -15.678 -11.964 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.783 -10.660 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -16.561 -10.620 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.784 -11.551 -6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -17.711 -10.191 -5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.697 -9.947 -7.199 1.00 0.00 H new ATOM 1526 N GLY A 100 -14.247 -5.722 -5.932 1.00 0.00 N ATOM 1527 CA GLY A 100 -14.021 -4.341 -5.549 1.00 0.00 C ATOM 1528 C GLY A 100 -12.664 -4.133 -4.906 1.00 0.00 C ATOM 1529 O GLY A 100 -11.790 -4.996 -4.993 1.00 0.00 O ATOM 0 H GLY A 100 -13.411 -6.229 -6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.104 -3.705 -6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.801 -4.027 -4.855 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.486 -2.984 -4.261 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.224 -2.665 -3.603 1.00 0.00 C ATOM 1535 C GLU A 101 -11.318 -2.909 -2.099 1.00 0.00 C ATOM 1536 O GLU A 101 -12.409 -2.929 -1.529 1.00 0.00 O ATOM 1537 CB GLU A 101 -10.837 -1.210 -3.872 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.800 -0.202 -3.269 1.00 0.00 C ATOM 1539 CD GLU A 101 -12.926 0.168 -4.215 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -12.701 0.139 -5.444 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -14.030 0.487 -3.729 1.00 0.00 O ATOM 0 H GLU A 101 -13.199 -2.259 -4.180 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.454 -3.319 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.839 -1.029 -3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.784 -1.050 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.222 -0.612 -2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.252 0.699 -2.993 1.00 0.00 H new ATOM 1548 N SER A 102 -10.165 -3.095 -1.464 1.00 0.00 N ATOM 1549 CA SER A 102 -10.116 -3.342 -0.027 1.00 0.00 C ATOM 1550 C SER A 102 -9.892 -2.042 0.740 1.00 0.00 C ATOM 1551 O SER A 102 -9.692 -0.984 0.144 1.00 0.00 O ATOM 1552 CB SER A 102 -9.004 -4.339 0.303 1.00 0.00 C ATOM 1553 OG SER A 102 -7.777 -3.674 0.543 1.00 0.00 O ATOM 0 H SER A 102 -9.253 -3.079 -1.921 1.00 0.00 H new ATOM 0 HA SER A 102 -11.074 -3.763 0.277 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.283 -4.922 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.885 -5.042 -0.522 1.00 0.00 H new ATOM 0 HG SER A 102 -7.791 -3.275 1.438 1.00 0.00 H new ATOM 1559 N GLU A 103 -9.928 -2.130 2.066 1.00 0.00 N ATOM 1560 CA GLU A 103 -9.730 -0.962 2.915 1.00 0.00 C ATOM 1561 C GLU A 103 -8.280 -0.491 2.862 1.00 0.00 C ATOM 1562 O GLU A 103 -7.372 -1.236 2.494 1.00 0.00 O ATOM 1563 CB GLU A 103 -10.123 -1.280 4.360 1.00 0.00 C ATOM 1564 CG GLU A 103 -11.581 -0.990 4.672 1.00 0.00 C ATOM 1565 CD GLU A 103 -11.911 -1.177 6.140 1.00 0.00 C ATOM 1566 OE1 GLU A 103 -11.566 -0.286 6.944 1.00 0.00 O ATOM 1567 OE2 GLU A 103 -12.515 -2.215 6.484 1.00 0.00 O ATOM 0 H GLU A 103 -10.093 -2.998 2.575 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.368 -0.161 2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.920 -2.332 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.493 -0.700 5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.815 0.033 4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.214 -1.646 4.075 1.00 0.00 H new ATOM 1574 N PRO A 104 -8.055 0.777 3.239 1.00 0.00 N ATOM 1575 CA PRO A 104 -6.718 1.377 3.244 1.00 0.00 C ATOM 1576 C PRO A 104 -5.825 0.792 4.333 1.00 0.00 C ATOM 1577 O PRO A 104 -6.031 1.045 5.520 1.00 0.00 O ATOM 1578 CB PRO A 104 -6.994 2.857 3.518 1.00 0.00 C ATOM 1579 CG PRO A 104 -8.295 2.872 4.243 1.00 0.00 C ATOM 1580 CD PRO A 104 -9.091 1.722 3.690 1.00 0.00 C ATOM 0 HA PRO A 104 -6.186 1.194 2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.201 3.303 4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -7.051 3.427 2.591 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.144 2.762 5.317 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.816 3.817 4.090 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.737 1.279 4.448 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.734 2.036 2.868 1.00 0.00 H new ATOM 1588 N SER A 105 -4.832 0.010 3.921 1.00 0.00 N ATOM 1589 CA SER A 105 -3.909 -0.613 4.862 1.00 0.00 C ATOM 1590 C SER A 105 -3.336 0.420 5.826 1.00 0.00 C ATOM 1591 O SER A 105 -3.247 1.604 5.502 1.00 0.00 O ATOM 1592 CB SER A 105 -2.773 -1.310 4.108 1.00 0.00 C ATOM 1593 OG SER A 105 -1.792 -0.377 3.689 1.00 0.00 O ATOM 0 H SER A 105 -4.646 -0.207 2.942 1.00 0.00 H new ATOM 0 HA SER A 105 -4.462 -1.354 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.314 -2.062 4.750 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.175 -1.834 3.241 1.00 0.00 H new ATOM 0 HG SER A 105 -1.034 -0.398 4.310 1.00 0.00 H new ATOM 1599 N ALA A 106 -2.949 -0.037 7.013 1.00 0.00 N ATOM 1600 CA ALA A 106 -2.382 0.847 8.024 1.00 0.00 C ATOM 1601 C ALA A 106 -1.234 1.671 7.452 1.00 0.00 C ATOM 1602 O ALA A 106 -0.419 1.184 6.668 1.00 0.00 O ATOM 1603 CB ALA A 106 -1.908 0.040 9.223 1.00 0.00 C ATOM 0 H ALA A 106 -3.018 -1.014 7.298 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.162 1.536 8.348 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.487 0.712 9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.751 -0.500 9.654 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.146 -0.671 8.904 1.00 0.00 H new ATOM 1609 N PRO A 107 -1.167 2.951 7.850 1.00 0.00 N ATOM 1610 CA PRO A 107 -0.123 3.870 7.389 1.00 0.00 C ATOM 1611 C PRO A 107 1.249 3.520 7.955 1.00 0.00 C ATOM 1612 O PRO A 107 1.580 3.890 9.081 1.00 0.00 O ATOM 1613 CB PRO A 107 -0.589 5.229 7.918 1.00 0.00 C ATOM 1614 CG PRO A 107 -1.437 4.906 9.100 1.00 0.00 C ATOM 1615 CD PRO A 107 -2.106 3.597 8.782 1.00 0.00 C ATOM 0 HA PRO A 107 -0.000 3.838 6.306 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.257 5.856 8.198 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.154 5.775 7.163 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.833 4.827 10.004 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.175 5.689 9.277 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.260 2.996 9.678 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.085 3.746 8.327 1.00 0.00 H new ATOM 1623 N SER A 108 2.044 2.804 7.166 1.00 0.00 N ATOM 1624 CA SER A 108 3.380 2.402 7.590 1.00 0.00 C ATOM 1625 C SER A 108 4.125 3.571 8.225 1.00 0.00 C ATOM 1626 O SER A 108 3.696 4.721 8.126 1.00 0.00 O ATOM 1627 CB SER A 108 4.175 1.862 6.400 1.00 0.00 C ATOM 1628 OG SER A 108 4.418 2.881 5.445 1.00 0.00 O ATOM 0 H SER A 108 1.786 2.491 6.230 1.00 0.00 H new ATOM 0 HA SER A 108 3.275 1.614 8.336 1.00 0.00 H new ATOM 0 HB2 SER A 108 5.123 1.452 6.748 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.626 1.044 5.933 1.00 0.00 H new ATOM 0 HG SER A 108 5.329 3.223 5.557 1.00 0.00 H new ATOM 1634 N ARG A 109 5.243 3.269 8.878 1.00 0.00 N ATOM 1635 CA ARG A 109 6.047 4.296 9.530 1.00 0.00 C ATOM 1636 C ARG A 109 6.516 5.341 8.523 1.00 0.00 C ATOM 1637 O ARG A 109 6.670 5.068 7.333 1.00 0.00 O ATOM 1638 CB ARG A 109 7.254 3.662 10.223 1.00 0.00 C ATOM 1639 CG ARG A 109 8.109 2.809 9.299 1.00 0.00 C ATOM 1640 CD ARG A 109 9.093 3.658 8.510 1.00 0.00 C ATOM 1641 NE ARG A 109 10.315 2.925 8.190 1.00 0.00 N ATOM 1642 CZ ARG A 109 11.261 2.649 9.081 1.00 0.00 C ATOM 1643 NH1 ARG A 109 11.126 3.043 10.339 1.00 0.00 N ATOM 1644 NH2 ARG A 109 12.344 1.977 8.714 1.00 0.00 N ATOM 0 H ARG A 109 5.612 2.323 8.969 1.00 0.00 H new ATOM 0 HA ARG A 109 5.425 4.791 10.276 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.872 4.451 10.651 1.00 0.00 H new ATOM 0 HB3 ARG A 109 6.904 3.046 11.052 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.654 2.069 9.885 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.467 2.260 8.611 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.621 3.996 7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.345 4.549 9.085 1.00 0.00 H new ATOM 0 HE ARG A 109 10.449 2.608 7.230 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.294 3.559 10.625 1.00 0.00 H new ATOM 0 HH12 ARG A 109 11.854 2.830 11.021 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.451 1.672 7.747 1.00 0.00 H new ATOM 0 HH22 ARG A 109 13.070 1.766 9.399 1.00 0.00 H new ATOM 1658 N PRO A 110 6.747 6.569 9.010 1.00 0.00 N ATOM 1659 CA PRO A 110 7.201 7.682 8.170 1.00 0.00 C ATOM 1660 C PRO A 110 8.635 7.496 7.688 1.00 0.00 C ATOM 1661 O PRO A 110 9.517 7.124 8.462 1.00 0.00 O ATOM 1662 CB PRO A 110 7.101 8.893 9.101 1.00 0.00 C ATOM 1663 CG PRO A 110 7.223 8.328 10.473 1.00 0.00 C ATOM 1664 CD PRO A 110 6.583 6.968 10.418 1.00 0.00 C ATOM 0 HA PRO A 110 6.606 7.776 7.261 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.893 9.614 8.898 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.153 9.415 8.971 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.268 8.256 10.774 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.724 8.965 11.203 1.00 0.00 H new ATOM 0 HD2 PRO A 110 7.072 6.266 11.094 1.00 0.00 H new ATOM 0 HD3 PRO A 110 5.532 7.007 10.705 1.00 0.00 H new ATOM 1672 N TYR A 111 8.862 7.757 6.405 1.00 0.00 N ATOM 1673 CA TYR A 111 10.190 7.617 5.820 1.00 0.00 C ATOM 1674 C TYR A 111 10.635 8.919 5.161 1.00 0.00 C ATOM 1675 O TYR A 111 9.947 9.457 4.293 1.00 0.00 O ATOM 1676 CB TYR A 111 10.200 6.483 4.793 1.00 0.00 C ATOM 1677 CG TYR A 111 11.585 6.115 4.311 1.00 0.00 C ATOM 1678 CD1 TYR A 111 12.384 5.240 5.037 1.00 0.00 C ATOM 1679 CD2 TYR A 111 12.095 6.642 3.130 1.00 0.00 C ATOM 1680 CE1 TYR A 111 13.651 4.902 4.602 1.00 0.00 C ATOM 1681 CE2 TYR A 111 13.359 6.307 2.687 1.00 0.00 C ATOM 1682 CZ TYR A 111 14.134 5.437 3.425 1.00 0.00 C ATOM 1683 OH TYR A 111 15.394 5.103 2.987 1.00 0.00 O ATOM 0 H TYR A 111 8.143 8.067 5.751 1.00 0.00 H new ATOM 0 HA TYR A 111 10.890 7.379 6.621 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.731 5.602 5.232 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.592 6.774 3.937 1.00 0.00 H new ATOM 0 HD1 TYR A 111 12.008 4.817 5.957 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.492 7.325 2.549 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.260 4.223 5.180 1.00 0.00 H new ATOM 0 HE2 TYR A 111 13.739 6.724 1.766 1.00 0.00 H new ATOM 0 HH TYR A 111 15.580 5.565 2.143 1.00 0.00 H new ATOM 1693 N VAL A 112 11.792 9.421 5.580 1.00 0.00 N ATOM 1694 CA VAL A 112 12.333 10.658 5.031 1.00 0.00 C ATOM 1695 C VAL A 112 13.374 10.373 3.954 1.00 0.00 C ATOM 1696 O VAL A 112 14.520 10.040 4.256 1.00 0.00 O ATOM 1697 CB VAL A 112 12.972 11.528 6.129 1.00 0.00 C ATOM 1698 CG1 VAL A 112 13.362 12.889 5.575 1.00 0.00 C ATOM 1699 CG2 VAL A 112 12.023 11.676 7.310 1.00 0.00 C ATOM 0 H VAL A 112 12.373 8.989 6.299 1.00 0.00 H new ATOM 0 HA VAL A 112 11.497 11.200 4.590 1.00 0.00 H new ATOM 0 HB VAL A 112 13.878 11.033 6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.812 13.489 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.080 12.760 4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.474 13.395 5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.490 12.294 8.077 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.099 12.148 6.977 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.800 10.692 7.723 1.00 0.00 H new ATOM 1709 N VAL A 113 12.968 10.509 2.695 1.00 0.00 N ATOM 1710 CA VAL A 113 13.865 10.267 1.572 1.00 0.00 C ATOM 1711 C VAL A 113 14.931 11.354 1.478 1.00 0.00 C ATOM 1712 O VAL A 113 14.651 12.478 1.062 1.00 0.00 O ATOM 1713 CB VAL A 113 13.094 10.202 0.241 1.00 0.00 C ATOM 1714 CG1 VAL A 113 14.046 10.354 -0.936 1.00 0.00 C ATOM 1715 CG2 VAL A 113 12.314 8.901 0.141 1.00 0.00 C ATOM 0 H VAL A 113 12.023 10.786 2.428 1.00 0.00 H new ATOM 0 HA VAL A 113 14.345 9.305 1.751 1.00 0.00 H new ATOM 0 HB VAL A 113 12.384 11.028 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 113 13.483 10.305 -1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.556 11.315 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.782 9.550 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.775 8.872 -0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.004 8.058 0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.603 8.839 0.965 1.00 0.00 H new ATOM 1725 N SER A 114 16.156 11.010 1.865 1.00 0.00 N ATOM 1726 CA SER A 114 17.264 11.957 1.826 1.00 0.00 C ATOM 1727 C SER A 114 18.333 11.503 0.838 1.00 0.00 C ATOM 1728 O SER A 114 19.032 10.519 1.072 1.00 0.00 O ATOM 1729 CB SER A 114 17.875 12.116 3.219 1.00 0.00 C ATOM 1730 OG SER A 114 18.464 13.395 3.376 1.00 0.00 O ATOM 0 H SER A 114 16.406 10.083 2.209 1.00 0.00 H new ATOM 0 HA SER A 114 16.875 12.920 1.495 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.104 11.972 3.976 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.627 11.344 3.380 1.00 0.00 H new ATOM 0 HG SER A 114 18.846 13.471 4.275 1.00 0.00 H new