USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 672 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 31 SER OG : rot 150:sc= -1.22 USER MOD Set 1.2: A 84 MET CE :methyl -157:sc= 0 (180deg=-0.576) USER MOD Set 2.1: A 46 HIS : no HD1:sc= -0.235 K(o=-0.23,f=-0.82) USER MOD Set 2.2: A 63 LYS NZ :NH3+ -139:sc= 0.00487 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0498 K(o=-0.05,f=-1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0888 K(o=-0.089,f=-2!) USER MOD Single : A 25 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.5!) USER MOD Single : A 30 ASN : amide:sc= -0.039 K(o=-0.039,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00774) USER MOD Single : A 34 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= -0.485 (180deg=-0.663) USER MOD Single : A 38 HIS : no HD1:sc= -0.028 X(o=-0.028,f=0) USER MOD Single : A 43 THR OG1 : rot 17:sc= 1.38 USER MOD Single : A 44 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.023) USER MOD Single : A 54 SER OG : rot 109:sc= 0.612 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0.417 K(o=0.42,f=-2.9!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -133:sc= -0.092 (180deg=-0.53) USER MOD Single : A 68 TYR OH : rot 165:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.316 K(o=-0.32,f=-3!) USER MOD Single : A 78 SER OG : rot 80:sc= 0.55 USER MOD Single : A 80 SER OG : rot 33:sc= 1.17 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 165:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.5!) USER MOD Single : A 95 GLN : amide:sc= -0.31 K(o=-0.31,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 13 -8.347 4.719 8.453 1.00 0.00 N ATOM 149 CA ALA A 13 -7.002 5.231 8.687 1.00 0.00 C ATOM 150 C ALA A 13 -6.927 6.727 8.403 1.00 0.00 C ATOM 151 O ALA A 13 -7.819 7.295 7.773 1.00 0.00 O ATOM 152 CB ALA A 13 -5.995 4.479 7.831 1.00 0.00 C ATOM 0 HA ALA A 13 -6.758 5.074 9.738 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.995 4.872 8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.021 3.419 8.085 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.246 4.606 6.778 1.00 0.00 H new ATOM 158 N ASN A 14 -5.857 7.361 8.872 1.00 0.00 N ATOM 159 CA ASN A 14 -5.664 8.792 8.669 1.00 0.00 C ATOM 160 C ASN A 14 -4.454 9.057 7.778 1.00 0.00 C ATOM 161 O ASN A 14 -4.469 9.967 6.948 1.00 0.00 O ATOM 162 CB ASN A 14 -5.487 9.500 10.013 1.00 0.00 C ATOM 163 CG ASN A 14 -6.733 9.431 10.873 1.00 0.00 C ATOM 164 OD1 ASN A 14 -7.201 8.347 11.221 1.00 0.00 O ATOM 165 ND2 ASN A 14 -7.278 10.591 11.220 1.00 0.00 N ATOM 0 H ASN A 14 -5.110 6.905 9.396 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.551 9.186 8.173 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.653 9.049 10.551 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.227 10.544 9.839 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.118 10.607 11.798 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.856 11.466 10.909 1.00 0.00 H new ATOM 172 N SER A 15 -3.409 8.256 7.954 1.00 0.00 N ATOM 173 CA SER A 15 -2.189 8.404 7.167 1.00 0.00 C ATOM 174 C SER A 15 -1.908 7.142 6.356 1.00 0.00 C ATOM 175 O SER A 15 -2.352 6.051 6.713 1.00 0.00 O ATOM 176 CB SER A 15 -1.002 8.713 8.080 1.00 0.00 C ATOM 177 OG SER A 15 -1.395 9.526 9.172 1.00 0.00 O ATOM 0 H SER A 15 -3.382 7.497 8.635 1.00 0.00 H new ATOM 0 HA SER A 15 -2.331 9.234 6.475 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.573 7.782 8.452 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.222 9.218 7.509 1.00 0.00 H new ATOM 0 HG SER A 15 -0.618 9.707 9.741 1.00 0.00 H new ATOM 183 N PRO A 16 -1.160 7.274 5.246 1.00 0.00 N ATOM 184 CA PRO A 16 -0.818 6.138 4.383 1.00 0.00 C ATOM 185 C PRO A 16 0.162 5.176 5.046 1.00 0.00 C ATOM 186 O PRO A 16 0.246 4.005 4.674 1.00 0.00 O ATOM 187 CB PRO A 16 -0.173 6.800 3.163 1.00 0.00 C ATOM 188 CG PRO A 16 0.363 8.092 3.672 1.00 0.00 C ATOM 189 CD PRO A 16 -0.588 8.540 4.747 1.00 0.00 C ATOM 0 HA PRO A 16 -1.692 5.532 4.145 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.620 6.178 2.749 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.901 6.959 2.368 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.370 7.967 4.069 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.425 8.831 2.873 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.073 9.087 5.537 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.359 9.201 4.352 1.00 0.00 H new ATOM 197 N GLN A 17 0.904 5.675 6.031 1.00 0.00 N ATOM 198 CA GLN A 17 1.879 4.859 6.746 1.00 0.00 C ATOM 199 C GLN A 17 1.220 3.626 7.356 1.00 0.00 C ATOM 200 O GLN A 17 1.640 2.497 7.105 1.00 0.00 O ATOM 201 CB GLN A 17 2.560 5.682 7.841 1.00 0.00 C ATOM 202 CG GLN A 17 3.873 6.311 7.402 1.00 0.00 C ATOM 203 CD GLN A 17 4.254 7.513 8.243 1.00 0.00 C ATOM 204 OE1 GLN A 17 3.466 7.989 9.059 1.00 0.00 O ATOM 205 NE2 GLN A 17 5.470 8.012 8.047 1.00 0.00 N ATOM 0 H GLN A 17 0.848 6.642 6.352 1.00 0.00 H new ATOM 0 HA GLN A 17 2.630 4.528 6.029 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.881 6.469 8.168 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.744 5.042 8.704 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.666 5.565 7.460 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.796 6.613 6.358 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.091 7.586 7.360 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.782 8.821 8.584 1.00 0.00 H new ATOM 214 N GLU A 18 0.185 3.850 8.159 1.00 0.00 N ATOM 215 CA GLU A 18 -0.532 2.757 8.806 1.00 0.00 C ATOM 216 C GLU A 18 -1.351 1.966 7.790 1.00 0.00 C ATOM 217 O GLU A 18 -1.417 0.739 7.853 1.00 0.00 O ATOM 218 CB GLU A 18 -1.446 3.298 9.906 1.00 0.00 C ATOM 219 CG GLU A 18 -1.877 2.243 10.912 1.00 0.00 C ATOM 220 CD GLU A 18 -2.309 2.843 12.235 1.00 0.00 C ATOM 221 OE1 GLU A 18 -1.552 3.668 12.789 1.00 0.00 O ATOM 222 OE2 GLU A 18 -3.405 2.487 12.720 1.00 0.00 O ATOM 0 H GLU A 18 -0.176 4.779 8.377 1.00 0.00 H new ATOM 0 HA GLU A 18 0.204 2.088 9.252 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.931 4.101 10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.333 3.735 9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.700 1.662 10.494 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.053 1.551 11.083 1.00 0.00 H new ATOM 229 N ALA A 19 -1.975 2.678 6.858 1.00 0.00 N ATOM 230 CA ALA A 19 -2.790 2.043 5.829 1.00 0.00 C ATOM 231 C ALA A 19 -1.952 1.111 4.962 1.00 0.00 C ATOM 232 O ALA A 19 -2.376 0.003 4.633 1.00 0.00 O ATOM 233 CB ALA A 19 -3.470 3.097 4.971 1.00 0.00 C ATOM 0 H ALA A 19 -1.932 3.695 6.794 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.555 1.444 6.324 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.075 2.609 4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.109 3.719 5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.714 3.720 4.492 1.00 0.00 H new ATOM 239 N LEU A 20 -0.759 1.566 4.594 1.00 0.00 N ATOM 240 CA LEU A 20 0.139 0.773 3.763 1.00 0.00 C ATOM 241 C LEU A 20 0.563 -0.503 4.484 1.00 0.00 C ATOM 242 O LEU A 20 0.546 -1.589 3.907 1.00 0.00 O ATOM 243 CB LEU A 20 1.374 1.591 3.383 1.00 0.00 C ATOM 244 CG LEU A 20 2.379 0.869 2.486 1.00 0.00 C ATOM 245 CD1 LEU A 20 1.807 0.675 1.090 1.00 0.00 C ATOM 246 CD2 LEU A 20 3.689 1.641 2.424 1.00 0.00 C ATOM 0 H LEU A 20 -0.392 2.480 4.858 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.398 0.496 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.047 2.500 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.882 1.899 4.297 1.00 0.00 H new ATOM 0 HG LEU A 20 2.578 -0.113 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.537 0.159 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.896 0.080 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.578 1.647 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.393 1.112 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.506 2.637 2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.108 1.728 3.426 1.00 0.00 H new ATOM 258 N LEU A 21 0.944 -0.361 5.750 1.00 0.00 N ATOM 259 CA LEU A 21 1.372 -1.502 6.551 1.00 0.00 C ATOM 260 C LEU A 21 0.258 -2.537 6.664 1.00 0.00 C ATOM 261 O LEU A 21 0.498 -3.738 6.545 1.00 0.00 O ATOM 262 CB LEU A 21 1.799 -1.040 7.945 1.00 0.00 C ATOM 263 CG LEU A 21 2.348 -2.142 8.854 1.00 0.00 C ATOM 264 CD1 LEU A 21 3.669 -2.668 8.317 1.00 0.00 C ATOM 265 CD2 LEU A 21 2.515 -1.625 10.274 1.00 0.00 C ATOM 0 H LEU A 21 0.965 0.532 6.242 1.00 0.00 H new ATOM 0 HA LEU A 21 2.223 -1.966 6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.560 -0.267 7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.942 -0.578 8.436 1.00 0.00 H new ATOM 0 HG LEU A 21 1.633 -2.965 8.869 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.044 -3.451 8.976 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.519 -3.077 7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.393 -1.854 8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.906 -2.421 10.907 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.210 -0.785 10.276 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.549 -1.298 10.658 1.00 0.00 H new ATOM 277 N TRP A 22 -0.962 -2.062 6.894 1.00 0.00 N ATOM 278 CA TRP A 22 -2.114 -2.947 7.023 1.00 0.00 C ATOM 279 C TRP A 22 -2.469 -3.579 5.679 1.00 0.00 C ATOM 280 O TRP A 22 -2.994 -4.691 5.626 1.00 0.00 O ATOM 281 CB TRP A 22 -3.316 -2.176 7.570 1.00 0.00 C ATOM 282 CG TRP A 22 -4.445 -3.062 8.000 1.00 0.00 C ATOM 283 CD1 TRP A 22 -4.673 -3.549 9.255 1.00 0.00 C ATOM 284 CD2 TRP A 22 -5.500 -3.570 7.175 1.00 0.00 C ATOM 285 NE1 TRP A 22 -5.805 -4.328 9.260 1.00 0.00 N ATOM 286 CE2 TRP A 22 -6.331 -4.355 7.996 1.00 0.00 C ATOM 287 CE3 TRP A 22 -5.824 -3.435 5.822 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -7.463 -5.003 7.507 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -6.948 -4.078 5.338 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.756 -4.854 6.179 1.00 0.00 C ATOM 0 H TRP A 22 -1.178 -1.070 6.995 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.853 -3.743 7.720 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.995 -1.571 8.418 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.675 -1.487 6.805 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -4.054 -3.351 10.118 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.191 -4.808 10.073 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.207 -2.839 5.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.087 -5.602 8.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.207 -3.980 4.294 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.627 -5.344 5.771 1.00 0.00 H new ATOM 301 N ALA A 23 -2.178 -2.862 4.598 1.00 0.00 N ATOM 302 CA ALA A 23 -2.467 -3.354 3.257 1.00 0.00 C ATOM 303 C ALA A 23 -1.647 -4.600 2.940 1.00 0.00 C ATOM 304 O ALA A 23 -2.198 -5.651 2.612 1.00 0.00 O ATOM 305 CB ALA A 23 -2.197 -2.267 2.227 1.00 0.00 C ATOM 0 H ALA A 23 -1.743 -1.940 4.625 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.522 -3.625 3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.417 -2.648 1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.830 -1.404 2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.150 -1.969 2.279 1.00 0.00 H new ATOM 311 N LEU A 24 -0.328 -4.475 3.039 1.00 0.00 N ATOM 312 CA LEU A 24 0.569 -5.592 2.762 1.00 0.00 C ATOM 313 C LEU A 24 0.283 -6.765 3.694 1.00 0.00 C ATOM 314 O LEU A 24 0.497 -7.922 3.333 1.00 0.00 O ATOM 315 CB LEU A 24 2.026 -5.150 2.910 1.00 0.00 C ATOM 316 CG LEU A 24 2.438 -3.970 2.028 1.00 0.00 C ATOM 317 CD1 LEU A 24 3.742 -3.362 2.524 1.00 0.00 C ATOM 318 CD2 LEU A 24 2.571 -4.410 0.578 1.00 0.00 C ATOM 0 H LEU A 24 0.144 -3.612 3.309 1.00 0.00 H new ATOM 0 HA LEU A 24 0.397 -5.918 1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.205 -4.885 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.672 -5.998 2.681 1.00 0.00 H new ATOM 0 HG LEU A 24 1.660 -3.208 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.019 -2.524 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.613 -3.010 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.529 -4.116 2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.865 -3.558 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.329 -5.190 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.615 -4.798 0.226 1.00 0.00 H new ATOM 330 N ASN A 25 -0.202 -6.459 4.893 1.00 0.00 N ATOM 331 CA ASN A 25 -0.517 -7.490 5.875 1.00 0.00 C ATOM 332 C ASN A 25 -1.745 -8.290 5.452 1.00 0.00 C ATOM 333 O ASN A 25 -1.876 -9.467 5.787 1.00 0.00 O ATOM 334 CB ASN A 25 -0.752 -6.859 7.248 1.00 0.00 C ATOM 335 CG ASN A 25 0.529 -6.720 8.048 1.00 0.00 C ATOM 336 OD1 ASN A 25 1.445 -7.531 7.918 1.00 0.00 O ATOM 337 ND2 ASN A 25 0.596 -5.688 8.881 1.00 0.00 N ATOM 0 H ASN A 25 -0.385 -5.506 5.208 1.00 0.00 H new ATOM 0 HA ASN A 25 0.332 -8.171 5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.206 -5.876 7.120 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.462 -7.468 7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.432 -5.542 9.446 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.189 -5.041 8.955 1.00 0.00 H new ATOM 344 N ASP A 26 -2.643 -7.644 4.715 1.00 0.00 N ATOM 345 CA ASP A 26 -3.860 -8.295 4.248 1.00 0.00 C ATOM 346 C ASP A 26 -3.555 -9.283 3.124 1.00 0.00 C ATOM 347 O ASP A 26 -4.290 -10.249 2.918 1.00 0.00 O ATOM 348 CB ASP A 26 -4.869 -7.252 3.764 1.00 0.00 C ATOM 349 CG ASP A 26 -6.253 -7.838 3.558 1.00 0.00 C ATOM 350 OD1 ASP A 26 -6.532 -8.915 4.126 1.00 0.00 O ATOM 351 OD2 ASP A 26 -7.055 -7.220 2.827 1.00 0.00 O ATOM 0 H ASP A 26 -2.550 -6.669 4.429 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.289 -8.846 5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.925 -6.441 4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.518 -6.818 2.828 1.00 0.00 H new ATOM 356 N LEU A 27 -2.468 -9.034 2.398 1.00 0.00 N ATOM 357 CA LEU A 27 -2.069 -9.900 1.295 1.00 0.00 C ATOM 358 C LEU A 27 -1.894 -11.341 1.767 1.00 0.00 C ATOM 359 O LEU A 27 -1.802 -11.605 2.966 1.00 0.00 O ATOM 360 CB LEU A 27 -0.768 -9.395 0.668 1.00 0.00 C ATOM 361 CG LEU A 27 -0.946 -8.361 -0.445 1.00 0.00 C ATOM 362 CD1 LEU A 27 0.407 -7.920 -0.984 1.00 0.00 C ATOM 363 CD2 LEU A 27 -1.809 -8.927 -1.563 1.00 0.00 C ATOM 0 H LEU A 27 -1.848 -8.239 2.555 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.860 -9.877 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.149 -8.959 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.220 -10.248 0.267 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.450 -7.489 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.261 -7.184 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.992 -7.476 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.938 -8.783 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.926 -8.179 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.331 -9.815 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.789 -9.193 -1.167 1.00 0.00 H new ATOM 375 N GLU A 28 -1.850 -12.268 0.815 1.00 0.00 N ATOM 376 CA GLU A 28 -1.686 -13.682 1.132 1.00 0.00 C ATOM 377 C GLU A 28 -0.248 -14.132 0.898 1.00 0.00 C ATOM 378 O GLU A 28 0.612 -13.330 0.531 1.00 0.00 O ATOM 379 CB GLU A 28 -2.641 -14.529 0.289 1.00 0.00 C ATOM 380 CG GLU A 28 -4.107 -14.305 0.620 1.00 0.00 C ATOM 381 CD GLU A 28 -4.436 -14.632 2.063 1.00 0.00 C ATOM 382 OE1 GLU A 28 -4.413 -15.829 2.421 1.00 0.00 O ATOM 383 OE2 GLU A 28 -4.716 -13.692 2.837 1.00 0.00 O ATOM 0 H GLU A 28 -1.926 -12.065 -0.182 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.922 -13.820 2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.477 -14.306 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.402 -15.583 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.366 -13.266 0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.722 -14.920 -0.037 1.00 0.00 H new ATOM 390 N GLU A 29 0.007 -15.418 1.113 1.00 0.00 N ATOM 391 CA GLU A 29 1.342 -15.975 0.926 1.00 0.00 C ATOM 392 C GLU A 29 1.722 -15.989 -0.552 1.00 0.00 C ATOM 393 O GLU A 29 2.750 -15.436 -0.944 1.00 0.00 O ATOM 394 CB GLU A 29 1.411 -17.392 1.500 1.00 0.00 C ATOM 395 CG GLU A 29 2.441 -17.550 2.608 1.00 0.00 C ATOM 396 CD GLU A 29 3.360 -18.735 2.387 1.00 0.00 C ATOM 397 OE1 GLU A 29 2.848 -19.866 2.251 1.00 0.00 O ATOM 398 OE2 GLU A 29 4.591 -18.533 2.349 1.00 0.00 O ATOM 0 H GLU A 29 -0.693 -16.095 1.417 1.00 0.00 H new ATOM 0 HA GLU A 29 2.052 -15.342 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.429 -17.667 1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.644 -18.090 0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.038 -16.640 2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.927 -17.667 3.562 1.00 0.00 H new ATOM 405 N ASN A 30 0.888 -16.626 -1.367 1.00 0.00 N ATOM 406 CA ASN A 30 1.138 -16.713 -2.801 1.00 0.00 C ATOM 407 C ASN A 30 1.194 -15.325 -3.429 1.00 0.00 C ATOM 408 O ASN A 30 1.916 -15.102 -4.402 1.00 0.00 O ATOM 409 CB ASN A 30 0.050 -17.549 -3.479 1.00 0.00 C ATOM 410 CG ASN A 30 0.539 -18.210 -4.751 1.00 0.00 C ATOM 411 OD1 ASN A 30 1.644 -17.939 -5.221 1.00 0.00 O ATOM 412 ND2 ASN A 30 -0.283 -19.085 -5.318 1.00 0.00 N ATOM 0 H ASN A 30 0.033 -17.090 -1.059 1.00 0.00 H new ATOM 0 HA ASN A 30 2.104 -17.197 -2.948 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.301 -18.314 -2.787 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.804 -16.912 -3.709 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.007 -19.562 -6.176 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.190 -19.280 -4.895 1.00 0.00 H new ATOM 419 N SER A 31 0.429 -14.394 -2.868 1.00 0.00 N ATOM 420 CA SER A 31 0.393 -13.028 -3.374 1.00 0.00 C ATOM 421 C SER A 31 1.688 -12.291 -3.046 1.00 0.00 C ATOM 422 O SER A 31 2.312 -11.693 -3.922 1.00 0.00 O ATOM 423 CB SER A 31 -0.800 -12.274 -2.783 1.00 0.00 C ATOM 424 OG SER A 31 -1.210 -11.219 -3.635 1.00 0.00 O ATOM 0 H SER A 31 -0.174 -14.561 -2.063 1.00 0.00 H new ATOM 0 HA SER A 31 0.286 -13.072 -4.458 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.630 -12.964 -2.628 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.532 -11.873 -1.805 1.00 0.00 H new ATOM 0 HG SER A 31 -2.173 -11.072 -3.533 1.00 0.00 H new ATOM 430 N PHE A 32 2.085 -12.339 -1.779 1.00 0.00 N ATOM 431 CA PHE A 32 3.306 -11.676 -1.335 1.00 0.00 C ATOM 432 C PHE A 32 4.534 -12.313 -1.975 1.00 0.00 C ATOM 433 O PHE A 32 5.518 -11.632 -2.267 1.00 0.00 O ATOM 434 CB PHE A 32 3.419 -11.738 0.190 1.00 0.00 C ATOM 435 CG PHE A 32 4.112 -10.548 0.789 1.00 0.00 C ATOM 436 CD1 PHE A 32 3.679 -9.263 0.506 1.00 0.00 C ATOM 437 CD2 PHE A 32 5.196 -10.714 1.638 1.00 0.00 C ATOM 438 CE1 PHE A 32 4.313 -8.165 1.055 1.00 0.00 C ATOM 439 CE2 PHE A 32 5.834 -9.621 2.190 1.00 0.00 C ATOM 440 CZ PHE A 32 5.393 -8.344 1.899 1.00 0.00 C ATOM 0 H PHE A 32 1.579 -12.830 -1.042 1.00 0.00 H new ATOM 0 HA PHE A 32 3.258 -10.632 -1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.420 -11.819 0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.960 -12.642 0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.835 -9.118 -0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.545 -11.709 1.870 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.965 -7.169 0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.678 -9.764 2.849 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.891 -7.488 2.330 1.00 0.00 H new ATOM 450 N LYS A 33 4.472 -13.623 -2.190 1.00 0.00 N ATOM 451 CA LYS A 33 5.581 -14.351 -2.794 1.00 0.00 C ATOM 452 C LYS A 33 5.826 -13.882 -4.225 1.00 0.00 C ATOM 453 O LYS A 33 6.971 -13.748 -4.658 1.00 0.00 O ATOM 454 CB LYS A 33 5.298 -15.856 -2.780 1.00 0.00 C ATOM 455 CG LYS A 33 5.895 -16.574 -1.582 1.00 0.00 C ATOM 456 CD LYS A 33 5.858 -18.083 -1.762 1.00 0.00 C ATOM 457 CE LYS A 33 6.191 -18.807 -0.468 1.00 0.00 C ATOM 458 NZ LYS A 33 7.586 -18.535 -0.022 1.00 0.00 N ATOM 0 H LYS A 33 3.666 -14.202 -1.955 1.00 0.00 H new ATOM 0 HA LYS A 33 6.477 -14.150 -2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.220 -16.015 -2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.693 -16.300 -3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.925 -16.249 -1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.345 -16.300 -0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.869 -18.385 -2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.567 -18.376 -2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.494 -18.497 0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.057 -19.880 -0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.796 -19.100 0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.249 -18.791 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.688 -17.524 0.201 1.00 0.00 H new ATOM 472 N THR A 34 4.743 -13.635 -4.956 1.00 0.00 N ATOM 473 CA THR A 34 4.840 -13.181 -6.338 1.00 0.00 C ATOM 474 C THR A 34 5.209 -11.702 -6.400 1.00 0.00 C ATOM 475 O THR A 34 5.998 -11.284 -7.247 1.00 0.00 O ATOM 476 CB THR A 34 3.520 -13.421 -7.070 1.00 0.00 C ATOM 477 OG1 THR A 34 3.064 -14.746 -6.861 1.00 0.00 O ATOM 478 CG2 THR A 34 3.615 -13.199 -8.564 1.00 0.00 C ATOM 0 H THR A 34 3.788 -13.742 -4.614 1.00 0.00 H new ATOM 0 HA THR A 34 5.627 -13.754 -6.828 1.00 0.00 H new ATOM 0 HB THR A 34 2.823 -12.693 -6.654 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.540 -14.785 -6.034 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.644 -13.386 -9.022 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.917 -12.170 -8.761 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.353 -13.881 -8.987 1.00 0.00 H new ATOM 486 N LEU A 35 4.631 -10.915 -5.499 1.00 0.00 N ATOM 487 CA LEU A 35 4.898 -9.483 -5.451 1.00 0.00 C ATOM 488 C LEU A 35 6.374 -9.211 -5.177 1.00 0.00 C ATOM 489 O LEU A 35 6.924 -8.207 -5.627 1.00 0.00 O ATOM 490 CB LEU A 35 4.037 -8.818 -4.374 1.00 0.00 C ATOM 491 CG LEU A 35 4.165 -7.295 -4.291 1.00 0.00 C ATOM 492 CD1 LEU A 35 3.063 -6.623 -5.096 1.00 0.00 C ATOM 493 CD2 LEU A 35 4.127 -6.835 -2.841 1.00 0.00 C ATOM 0 H LEU A 35 3.974 -11.245 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 35 4.644 -9.060 -6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.993 -9.070 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.301 -9.243 -3.406 1.00 0.00 H new ATOM 0 HG LEU A 35 5.126 -7.006 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.170 -5.540 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.137 -6.928 -6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.091 -6.918 -4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.219 -5.750 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.182 -7.136 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.952 -7.290 -2.293 1.00 0.00 H new ATOM 505 N LYS A 36 7.009 -10.114 -4.435 1.00 0.00 N ATOM 506 CA LYS A 36 8.421 -9.972 -4.101 1.00 0.00 C ATOM 507 C LYS A 36 9.277 -9.883 -5.361 1.00 0.00 C ATOM 508 O LYS A 36 10.149 -9.021 -5.471 1.00 0.00 O ATOM 509 CB LYS A 36 8.884 -11.150 -3.240 1.00 0.00 C ATOM 510 CG LYS A 36 8.626 -10.958 -1.755 1.00 0.00 C ATOM 511 CD LYS A 36 9.566 -11.804 -0.913 1.00 0.00 C ATOM 512 CE LYS A 36 8.969 -13.169 -0.613 1.00 0.00 C ATOM 513 NZ LYS A 36 9.060 -14.084 -1.784 1.00 0.00 N ATOM 0 H LYS A 36 6.568 -10.951 -4.054 1.00 0.00 H new ATOM 0 HA LYS A 36 8.541 -9.047 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.376 -12.055 -3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.951 -11.307 -3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.750 -9.907 -1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.594 -11.223 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.514 -11.927 -1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.783 -11.287 0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.488 -13.614 0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.925 -13.053 -0.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.801 -15.048 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.410 -13.761 -2.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.033 -14.083 -2.150 1.00 0.00 H new ATOM 527 N PHE A 37 9.022 -10.778 -6.309 1.00 0.00 N ATOM 528 CA PHE A 37 9.769 -10.801 -7.561 1.00 0.00 C ATOM 529 C PHE A 37 9.414 -9.595 -8.428 1.00 0.00 C ATOM 530 O PHE A 37 10.248 -9.092 -9.181 1.00 0.00 O ATOM 531 CB PHE A 37 9.488 -12.097 -8.324 1.00 0.00 C ATOM 532 CG PHE A 37 10.730 -12.855 -8.696 1.00 0.00 C ATOM 533 CD1 PHE A 37 11.810 -12.201 -9.268 1.00 0.00 C ATOM 534 CD2 PHE A 37 10.819 -14.220 -8.475 1.00 0.00 C ATOM 535 CE1 PHE A 37 12.954 -12.896 -9.612 1.00 0.00 C ATOM 536 CE2 PHE A 37 11.959 -14.919 -8.817 1.00 0.00 C ATOM 537 CZ PHE A 37 13.029 -14.256 -9.387 1.00 0.00 C ATOM 0 H PHE A 37 8.303 -11.498 -6.234 1.00 0.00 H new ATOM 0 HA PHE A 37 10.832 -10.753 -7.323 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.850 -12.737 -7.714 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.930 -11.862 -9.231 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.757 -11.137 -9.447 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.986 -14.744 -8.030 1.00 0.00 H new ATOM 0 HE1 PHE A 37 13.789 -12.375 -10.057 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.015 -15.983 -8.639 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.922 -14.801 -9.656 1.00 0.00 H new ATOM 547 N HIS A 38 8.171 -9.137 -8.315 1.00 0.00 N ATOM 548 CA HIS A 38 7.705 -7.992 -9.088 1.00 0.00 C ATOM 549 C HIS A 38 8.350 -6.699 -8.595 1.00 0.00 C ATOM 550 O HIS A 38 8.437 -5.718 -9.334 1.00 0.00 O ATOM 551 CB HIS A 38 6.181 -7.881 -9.002 1.00 0.00 C ATOM 552 CG HIS A 38 5.474 -8.451 -10.193 1.00 0.00 C ATOM 553 ND1 HIS A 38 5.439 -7.844 -11.428 1.00 0.00 N ATOM 554 CD2 HIS A 38 4.764 -9.601 -10.321 1.00 0.00 C ATOM 555 CE1 HIS A 38 4.725 -8.625 -12.250 1.00 0.00 C ATOM 556 NE2 HIS A 38 4.292 -9.704 -11.626 1.00 0.00 N ATOM 0 H HIS A 38 7.469 -9.542 -7.696 1.00 0.00 H new ATOM 0 HA HIS A 38 7.995 -8.145 -10.127 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.837 -8.395 -8.104 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.906 -6.832 -8.894 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.593 -10.321 -9.535 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.529 -8.401 -13.288 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.728 -10.458 -12.019 1.00 0.00 H new ATOM 564 N LEU A 39 8.800 -6.702 -7.342 1.00 0.00 N ATOM 565 CA LEU A 39 9.436 -5.528 -6.753 1.00 0.00 C ATOM 566 C LEU A 39 10.600 -5.044 -7.614 1.00 0.00 C ATOM 567 O LEU A 39 10.801 -3.840 -7.782 1.00 0.00 O ATOM 568 CB LEU A 39 9.931 -5.845 -5.341 1.00 0.00 C ATOM 569 CG LEU A 39 8.839 -5.921 -4.273 1.00 0.00 C ATOM 570 CD1 LEU A 39 9.363 -6.608 -3.021 1.00 0.00 C ATOM 571 CD2 LEU A 39 8.321 -4.530 -3.943 1.00 0.00 C ATOM 0 H LEU A 39 8.736 -7.505 -6.716 1.00 0.00 H new ATOM 0 HA LEU A 39 8.692 -4.733 -6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.462 -6.797 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.653 -5.084 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 39 8.012 -6.512 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.572 -6.653 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.686 -7.619 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.207 -6.045 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.545 -4.602 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.140 -3.916 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.906 -4.073 -4.842 1.00 0.00 H new ATOM 583 N ARG A 40 11.361 -5.988 -8.157 1.00 0.00 N ATOM 584 CA ARG A 40 12.504 -5.658 -9.001 1.00 0.00 C ATOM 585 C ARG A 40 12.082 -4.787 -10.181 1.00 0.00 C ATOM 586 O ARG A 40 12.872 -3.995 -10.695 1.00 0.00 O ATOM 587 CB ARG A 40 13.174 -6.936 -9.510 1.00 0.00 C ATOM 588 CG ARG A 40 14.686 -6.827 -9.623 1.00 0.00 C ATOM 589 CD ARG A 40 15.202 -7.494 -10.888 1.00 0.00 C ATOM 590 NE ARG A 40 16.330 -6.769 -11.468 1.00 0.00 N ATOM 591 CZ ARG A 40 17.578 -6.856 -11.015 1.00 0.00 C ATOM 592 NH1 ARG A 40 17.863 -7.635 -9.978 1.00 0.00 N ATOM 593 NH2 ARG A 40 18.546 -6.162 -11.600 1.00 0.00 N ATOM 0 H ARG A 40 11.207 -6.988 -8.028 1.00 0.00 H new ATOM 0 HA ARG A 40 13.217 -5.096 -8.397 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.927 -7.758 -8.839 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.762 -7.188 -10.487 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.977 -5.777 -9.620 1.00 0.00 H new ATOM 0 HG3 ARG A 40 15.151 -7.289 -8.752 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.506 -8.516 -10.661 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.396 -7.556 -11.620 1.00 0.00 H new ATOM 0 HE ARG A 40 16.150 -6.161 -12.267 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.123 -8.171 -9.524 1.00 0.00 H new ATOM 0 HH12 ARG A 40 18.822 -7.698 -9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.333 -5.562 -12.397 1.00 0.00 H new ATOM 0 HH22 ARG A 40 19.503 -6.229 -11.253 1.00 0.00 H new ATOM 607 N ASP A 41 10.832 -4.942 -10.609 1.00 0.00 N ATOM 608 CA ASP A 41 10.309 -4.170 -11.730 1.00 0.00 C ATOM 609 C ASP A 41 9.878 -2.777 -11.280 1.00 0.00 C ATOM 610 O ASP A 41 10.413 -1.771 -11.745 1.00 0.00 O ATOM 611 CB ASP A 41 9.126 -4.900 -12.369 1.00 0.00 C ATOM 612 CG ASP A 41 9.128 -4.790 -13.882 1.00 0.00 C ATOM 613 OD1 ASP A 41 8.767 -3.712 -14.400 1.00 0.00 O ATOM 614 OD2 ASP A 41 9.491 -5.782 -14.549 1.00 0.00 O ATOM 0 H ASP A 41 10.164 -5.594 -10.197 1.00 0.00 H new ATOM 0 HA ASP A 41 11.105 -4.063 -12.467 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.154 -5.952 -12.084 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.195 -4.489 -11.979 1.00 0.00 H new ATOM 619 N VAL A 42 8.906 -2.727 -10.376 1.00 0.00 N ATOM 620 CA VAL A 42 8.403 -1.457 -9.865 1.00 0.00 C ATOM 621 C VAL A 42 9.511 -0.652 -9.196 1.00 0.00 C ATOM 622 O VAL A 42 9.647 0.548 -9.430 1.00 0.00 O ATOM 623 CB VAL A 42 7.258 -1.669 -8.857 1.00 0.00 C ATOM 624 CG1 VAL A 42 6.046 -2.279 -9.544 1.00 0.00 C ATOM 625 CG2 VAL A 42 7.719 -2.543 -7.700 1.00 0.00 C ATOM 0 H VAL A 42 8.451 -3.550 -9.982 1.00 0.00 H new ATOM 0 HA VAL A 42 8.024 -0.902 -10.723 1.00 0.00 H new ATOM 0 HB VAL A 42 6.969 -0.698 -8.456 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.248 -2.421 -8.815 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.701 -1.612 -10.334 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.319 -3.242 -9.976 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.896 -2.681 -6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.038 -3.513 -8.081 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.553 -2.061 -7.190 1.00 0.00 H new ATOM 635 N THR A 43 10.301 -1.320 -8.361 1.00 0.00 N ATOM 636 CA THR A 43 11.398 -0.664 -7.658 1.00 0.00 C ATOM 637 C THR A 43 12.746 -1.158 -8.171 1.00 0.00 C ATOM 638 O THR A 43 13.108 -2.319 -7.974 1.00 0.00 O ATOM 639 CB THR A 43 11.289 -0.913 -6.153 1.00 0.00 C ATOM 640 OG1 THR A 43 11.201 -2.299 -5.877 1.00 0.00 O ATOM 641 CG2 THR A 43 10.089 -0.242 -5.519 1.00 0.00 C ATOM 0 H THR A 43 10.202 -2.314 -8.155 1.00 0.00 H new ATOM 0 HA THR A 43 11.328 0.407 -7.847 1.00 0.00 H new ATOM 0 HB THR A 43 12.194 -0.482 -5.725 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.501 -2.808 -6.659 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.072 -0.460 -4.451 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.153 0.836 -5.669 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.176 -0.618 -5.980 1.00 0.00 H new ATOM 649 N GLN A 44 13.485 -0.270 -8.827 1.00 0.00 N ATOM 650 CA GLN A 44 14.794 -0.615 -9.368 1.00 0.00 C ATOM 651 C GLN A 44 15.870 0.321 -8.825 1.00 0.00 C ATOM 652 O GLN A 44 16.673 0.868 -9.582 1.00 0.00 O ATOM 653 CB GLN A 44 14.768 -0.555 -10.897 1.00 0.00 C ATOM 654 CG GLN A 44 15.580 -1.654 -11.562 1.00 0.00 C ATOM 655 CD GLN A 44 15.245 -1.819 -13.032 1.00 0.00 C ATOM 656 OE1 GLN A 44 16.125 -1.773 -13.890 1.00 0.00 O ATOM 657 NE2 GLN A 44 13.965 -2.013 -13.328 1.00 0.00 N ATOM 0 H GLN A 44 13.199 0.694 -8.997 1.00 0.00 H new ATOM 0 HA GLN A 44 15.034 -1.632 -9.057 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.735 -0.621 -11.238 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.149 0.414 -11.221 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.642 -1.430 -11.458 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.401 -2.596 -11.044 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.268 -2.044 -12.584 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.678 -2.131 -14.300 1.00 0.00 H new ATOM 666 N PHE A 45 15.882 0.500 -7.508 1.00 0.00 N ATOM 667 CA PHE A 45 16.858 1.369 -6.863 1.00 0.00 C ATOM 668 C PHE A 45 18.159 0.619 -6.594 1.00 0.00 C ATOM 669 O PHE A 45 19.187 0.898 -7.213 1.00 0.00 O ATOM 670 CB PHE A 45 16.294 1.924 -5.553 1.00 0.00 C ATOM 671 CG PHE A 45 16.657 3.360 -5.305 1.00 0.00 C ATOM 672 CD1 PHE A 45 16.083 4.374 -6.055 1.00 0.00 C ATOM 673 CD2 PHE A 45 17.574 3.696 -4.321 1.00 0.00 C ATOM 674 CE1 PHE A 45 16.415 5.696 -5.828 1.00 0.00 C ATOM 675 CE2 PHE A 45 17.911 5.015 -4.091 1.00 0.00 C ATOM 676 CZ PHE A 45 17.330 6.017 -4.845 1.00 0.00 C ATOM 0 H PHE A 45 15.226 0.054 -6.867 1.00 0.00 H new ATOM 0 HA PHE A 45 17.070 2.199 -7.537 1.00 0.00 H new ATOM 0 HB2 PHE A 45 15.208 1.829 -5.565 1.00 0.00 H new ATOM 0 HB3 PHE A 45 16.658 1.317 -4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.368 4.128 -6.826 1.00 0.00 H new ATOM 0 HD2 PHE A 45 18.030 2.917 -3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.959 6.477 -6.419 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.628 5.264 -3.323 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.591 7.049 -4.666 1.00 0.00 H new ATOM 686 N HIS A 46 18.110 -0.334 -5.670 1.00 0.00 N ATOM 687 CA HIS A 46 19.286 -1.124 -5.324 1.00 0.00 C ATOM 688 C HIS A 46 18.884 -2.499 -4.798 1.00 0.00 C ATOM 689 O HIS A 46 19.531 -3.048 -3.907 1.00 0.00 O ATOM 690 CB HIS A 46 20.135 -0.388 -4.282 1.00 0.00 C ATOM 691 CG HIS A 46 19.516 -0.339 -2.919 1.00 0.00 C ATOM 692 ND1 HIS A 46 18.407 0.415 -2.605 1.00 0.00 N ATOM 693 CD2 HIS A 46 19.873 -0.972 -1.773 1.00 0.00 C ATOM 694 CE1 HIS A 46 18.132 0.222 -1.308 1.00 0.00 C ATOM 695 NE2 HIS A 46 18.992 -0.612 -0.757 1.00 0.00 N ATOM 0 H HIS A 46 17.269 -0.578 -5.147 1.00 0.00 H new ATOM 0 HA HIS A 46 19.878 -1.263 -6.228 1.00 0.00 H new ATOM 0 HB2 HIS A 46 21.108 -0.875 -4.211 1.00 0.00 H new ATOM 0 HB3 HIS A 46 20.313 0.631 -4.626 1.00 0.00 H new ATOM 0 HD2 HIS A 46 20.708 -1.648 -1.666 1.00 0.00 H new ATOM 0 HE1 HIS A 46 17.312 0.689 -0.782 1.00 0.00 H new ATOM 0 HE2 HIS A 46 19.008 -0.928 0.213 1.00 0.00 H new ATOM 703 N LEU A 47 17.811 -3.051 -5.356 1.00 0.00 N ATOM 704 CA LEU A 47 17.322 -4.362 -4.944 1.00 0.00 C ATOM 705 C LEU A 47 17.518 -5.388 -6.055 1.00 0.00 C ATOM 706 O LEU A 47 16.966 -5.249 -7.147 1.00 0.00 O ATOM 707 CB LEU A 47 15.843 -4.281 -4.565 1.00 0.00 C ATOM 708 CG LEU A 47 15.470 -3.108 -3.656 1.00 0.00 C ATOM 709 CD1 LEU A 47 14.079 -2.594 -3.992 1.00 0.00 C ATOM 710 CD2 LEU A 47 15.548 -3.522 -2.194 1.00 0.00 C ATOM 0 H LEU A 47 17.263 -2.610 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 47 17.896 -4.680 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.253 -4.214 -5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.559 -5.209 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 47 16.184 -2.301 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.831 -1.760 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.056 -2.259 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.352 -3.394 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.280 -2.676 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.857 -4.345 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.563 -3.842 -1.960 1.00 0.00 H new ATOM 722 N ALA A 48 18.308 -6.419 -5.770 1.00 0.00 N ATOM 723 CA ALA A 48 18.576 -7.467 -6.745 1.00 0.00 C ATOM 724 C ALA A 48 18.560 -8.844 -6.090 1.00 0.00 C ATOM 725 O ALA A 48 17.769 -9.711 -6.461 1.00 0.00 O ATOM 726 CB ALA A 48 19.912 -7.223 -7.429 1.00 0.00 C ATOM 0 H ALA A 48 18.773 -6.550 -4.872 1.00 0.00 H new ATOM 0 HA ALA A 48 17.786 -7.441 -7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 48 20.099 -8.014 -8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 48 19.889 -6.260 -7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 48 20.707 -7.219 -6.683 1.00 0.00 H new ATOM 732 N ARG A 49 19.439 -9.039 -5.112 1.00 0.00 N ATOM 733 CA ARG A 49 19.526 -10.312 -4.405 1.00 0.00 C ATOM 734 C ARG A 49 19.977 -10.104 -2.963 1.00 0.00 C ATOM 735 O ARG A 49 20.971 -9.425 -2.703 1.00 0.00 O ATOM 736 CB ARG A 49 20.494 -11.252 -5.124 1.00 0.00 C ATOM 737 CG ARG A 49 20.111 -11.531 -6.568 1.00 0.00 C ATOM 738 CD ARG A 49 20.915 -12.684 -7.146 1.00 0.00 C ATOM 739 NE ARG A 49 20.197 -13.952 -7.055 1.00 0.00 N ATOM 740 CZ ARG A 49 20.706 -15.122 -7.437 1.00 0.00 C ATOM 741 NH1 ARG A 49 21.934 -15.187 -7.937 1.00 0.00 N ATOM 742 NH2 ARG A 49 19.985 -16.229 -7.320 1.00 0.00 N ATOM 0 H ARG A 49 20.101 -8.332 -4.791 1.00 0.00 H new ATOM 0 HA ARG A 49 18.533 -10.762 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 49 21.494 -10.819 -5.099 1.00 0.00 H new ATOM 0 HB3 ARG A 49 20.542 -12.196 -4.581 1.00 0.00 H new ATOM 0 HG2 ARG A 49 19.048 -11.763 -6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 49 20.274 -10.636 -7.168 1.00 0.00 H new ATOM 0 HD2 ARG A 49 21.150 -12.475 -8.190 1.00 0.00 H new ATOM 0 HD3 ARG A 49 21.864 -12.766 -6.616 1.00 0.00 H new ATOM 0 HE ARG A 49 19.250 -13.941 -6.677 1.00 0.00 H new ATOM 0 HH11 ARG A 49 22.492 -14.338 -8.030 1.00 0.00 H new ATOM 0 HH12 ARG A 49 22.319 -16.085 -8.228 1.00 0.00 H new ATOM 0 HH21 ARG A 49 19.041 -16.184 -6.937 1.00 0.00 H new ATOM 0 HH22 ARG A 49 20.375 -17.125 -7.613 1.00 0.00 H new ATOM 756 N GLY A 50 19.239 -10.693 -2.027 1.00 0.00 N ATOM 757 CA GLY A 50 19.578 -10.561 -0.623 1.00 0.00 C ATOM 758 C GLY A 50 18.787 -9.465 0.064 1.00 0.00 C ATOM 759 O GLY A 50 18.481 -9.563 1.252 1.00 0.00 O ATOM 0 H GLY A 50 18.412 -11.259 -2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.394 -11.509 -0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.643 -10.350 -0.528 1.00 0.00 H new ATOM 763 N GLU A 51 18.455 -8.419 -0.685 1.00 0.00 N ATOM 764 CA GLU A 51 17.694 -7.300 -0.142 1.00 0.00 C ATOM 765 C GLU A 51 16.228 -7.385 -0.560 1.00 0.00 C ATOM 766 O GLU A 51 15.338 -6.957 0.173 1.00 0.00 O ATOM 767 CB GLU A 51 18.295 -5.973 -0.609 1.00 0.00 C ATOM 768 CG GLU A 51 18.292 -4.894 0.461 1.00 0.00 C ATOM 769 CD GLU A 51 19.656 -4.698 1.095 1.00 0.00 C ATOM 770 OE1 GLU A 51 20.400 -5.693 1.220 1.00 0.00 O ATOM 771 OE2 GLU A 51 19.979 -3.549 1.465 1.00 0.00 O ATOM 0 H GLU A 51 18.701 -8.323 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 51 17.746 -7.351 0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.320 -6.144 -0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.737 -5.616 -1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.961 -3.953 0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.570 -5.156 1.234 1.00 0.00 H new ATOM 778 N LEU A 52 15.988 -7.942 -1.744 1.00 0.00 N ATOM 779 CA LEU A 52 14.631 -8.082 -2.260 1.00 0.00 C ATOM 780 C LEU A 52 13.860 -9.141 -1.478 1.00 0.00 C ATOM 781 O LEU A 52 12.660 -9.001 -1.241 1.00 0.00 O ATOM 782 CB LEU A 52 14.665 -8.451 -3.744 1.00 0.00 C ATOM 783 CG LEU A 52 13.302 -8.463 -4.440 1.00 0.00 C ATOM 784 CD1 LEU A 52 13.024 -7.118 -5.093 1.00 0.00 C ATOM 785 CD2 LEU A 52 13.239 -9.581 -5.469 1.00 0.00 C ATOM 0 H LEU A 52 16.714 -8.303 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 52 14.121 -7.126 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.315 -7.746 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 52 15.117 -9.437 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 52 12.533 -8.644 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 52 12.051 -7.146 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 52 13.026 -6.337 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.796 -6.906 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 52 12.263 -9.575 -5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.017 -9.431 -6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.392 -10.540 -4.974 1.00 0.00 H new ATOM 797 N GLU A 53 14.557 -10.202 -1.082 1.00 0.00 N ATOM 798 CA GLU A 53 13.937 -11.285 -0.328 1.00 0.00 C ATOM 799 C GLU A 53 13.880 -10.950 1.159 1.00 0.00 C ATOM 800 O GLU A 53 12.922 -11.300 1.848 1.00 0.00 O ATOM 801 CB GLU A 53 14.710 -12.589 -0.540 1.00 0.00 C ATOM 802 CG GLU A 53 14.161 -13.444 -1.671 1.00 0.00 C ATOM 803 CD GLU A 53 14.199 -12.732 -3.010 1.00 0.00 C ATOM 804 OE1 GLU A 53 15.207 -12.053 -3.294 1.00 0.00 O ATOM 805 OE2 GLU A 53 13.218 -12.854 -3.773 1.00 0.00 O ATOM 0 H GLU A 53 15.551 -10.334 -1.271 1.00 0.00 H new ATOM 0 HA GLU A 53 12.918 -11.411 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.754 -12.353 -0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.691 -13.167 0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.738 -14.367 -1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.133 -13.726 -1.443 1.00 0.00 H new ATOM 812 N SER A 54 14.913 -10.270 1.647 1.00 0.00 N ATOM 813 CA SER A 54 14.982 -9.886 3.052 1.00 0.00 C ATOM 814 C SER A 54 13.800 -9.002 3.436 1.00 0.00 C ATOM 815 O SER A 54 13.366 -8.993 4.588 1.00 0.00 O ATOM 816 CB SER A 54 16.295 -9.156 3.339 1.00 0.00 C ATOM 817 OG SER A 54 17.299 -10.060 3.765 1.00 0.00 O ATOM 0 H SER A 54 15.714 -9.974 1.089 1.00 0.00 H new ATOM 0 HA SER A 54 14.941 -10.795 3.652 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.628 -8.634 2.442 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.134 -8.399 4.107 1.00 0.00 H new ATOM 0 HG SER A 54 17.973 -10.156 3.060 1.00 0.00 H new ATOM 823 N LEU A 55 13.282 -8.256 2.463 1.00 0.00 N ATOM 824 CA LEU A 55 12.150 -7.368 2.700 1.00 0.00 C ATOM 825 C LEU A 55 10.948 -8.144 3.233 1.00 0.00 C ATOM 826 O LEU A 55 10.664 -9.253 2.782 1.00 0.00 O ATOM 827 CB LEU A 55 11.768 -6.639 1.409 1.00 0.00 C ATOM 828 CG LEU A 55 12.505 -5.321 1.168 1.00 0.00 C ATOM 829 CD1 LEU A 55 12.273 -4.832 -0.253 1.00 0.00 C ATOM 830 CD2 LEU A 55 12.061 -4.270 2.175 1.00 0.00 C ATOM 0 H LEU A 55 13.629 -8.250 1.504 1.00 0.00 H new ATOM 0 HA LEU A 55 12.448 -6.635 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.957 -7.303 0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.696 -6.441 1.425 1.00 0.00 H new ATOM 0 HG LEU A 55 13.573 -5.494 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.805 -3.893 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.641 -5.577 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.206 -4.675 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.596 -3.339 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.989 -4.099 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.280 -4.618 3.185 1.00 0.00 H new ATOM 842 N SER A 56 10.248 -7.551 4.195 1.00 0.00 N ATOM 843 CA SER A 56 9.078 -8.186 4.790 1.00 0.00 C ATOM 844 C SER A 56 7.864 -7.265 4.720 1.00 0.00 C ATOM 845 O SER A 56 7.899 -6.223 4.065 1.00 0.00 O ATOM 846 CB SER A 56 9.360 -8.566 6.244 1.00 0.00 C ATOM 847 OG SER A 56 10.578 -9.281 6.357 1.00 0.00 O ATOM 0 H SER A 56 10.471 -6.632 4.579 1.00 0.00 H new ATOM 0 HA SER A 56 8.860 -9.090 4.222 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.405 -7.665 6.856 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.541 -9.173 6.630 1.00 0.00 H new ATOM 0 HG SER A 56 10.736 -9.511 7.296 1.00 0.00 H new ATOM 853 N GLN A 57 6.790 -7.656 5.398 1.00 0.00 N ATOM 854 CA GLN A 57 5.565 -6.865 5.413 1.00 0.00 C ATOM 855 C GLN A 57 5.740 -5.604 6.256 1.00 0.00 C ATOM 856 O GLN A 57 5.126 -4.573 5.982 1.00 0.00 O ATOM 857 CB GLN A 57 4.401 -7.701 5.952 1.00 0.00 C ATOM 858 CG GLN A 57 3.432 -8.159 4.875 1.00 0.00 C ATOM 859 CD GLN A 57 2.932 -9.573 5.105 1.00 0.00 C ATOM 860 OE1 GLN A 57 3.371 -10.255 6.031 1.00 0.00 O ATOM 861 NE2 GLN A 57 2.010 -10.018 4.260 1.00 0.00 N ATOM 0 H GLN A 57 6.743 -8.516 5.944 1.00 0.00 H new ATOM 0 HA GLN A 57 5.342 -6.564 4.389 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.800 -8.576 6.466 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.857 -7.116 6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.582 -7.478 4.842 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.922 -8.104 3.903 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.676 -9.417 3.507 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.636 -10.961 4.364 1.00 0.00 H new ATOM 870 N VAL A 58 6.580 -5.696 7.281 1.00 0.00 N ATOM 871 CA VAL A 58 6.834 -4.563 8.163 1.00 0.00 C ATOM 872 C VAL A 58 7.967 -3.693 7.628 1.00 0.00 C ATOM 873 O VAL A 58 7.893 -2.465 7.672 1.00 0.00 O ATOM 874 CB VAL A 58 7.189 -5.029 9.588 1.00 0.00 C ATOM 875 CG1 VAL A 58 7.254 -3.843 10.537 1.00 0.00 C ATOM 876 CG2 VAL A 58 6.186 -6.060 10.079 1.00 0.00 C ATOM 0 H VAL A 58 7.096 -6.542 7.521 1.00 0.00 H new ATOM 0 HA VAL A 58 5.915 -3.978 8.198 1.00 0.00 H new ATOM 0 HB VAL A 58 8.173 -5.498 9.562 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.506 -4.192 11.539 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.016 -3.144 10.194 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.286 -3.342 10.560 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.454 -6.377 11.087 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.188 -5.621 10.090 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.196 -6.923 9.413 1.00 0.00 H new ATOM 886 N ASP A 59 9.014 -4.338 7.125 1.00 0.00 N ATOM 887 CA ASP A 59 10.163 -3.622 6.582 1.00 0.00 C ATOM 888 C ASP A 59 9.799 -2.919 5.278 1.00 0.00 C ATOM 889 O ASP A 59 10.207 -1.782 5.039 1.00 0.00 O ATOM 890 CB ASP A 59 11.328 -4.588 6.349 1.00 0.00 C ATOM 891 CG ASP A 59 12.365 -4.519 7.453 1.00 0.00 C ATOM 892 OD1 ASP A 59 12.801 -3.398 7.789 1.00 0.00 O ATOM 893 OD2 ASP A 59 12.740 -5.586 7.982 1.00 0.00 O ATOM 0 H ASP A 59 9.091 -5.354 7.082 1.00 0.00 H new ATOM 0 HA ASP A 59 10.466 -2.867 7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.944 -5.606 6.278 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.802 -4.358 5.394 1.00 0.00 H new ATOM 898 N LEU A 60 9.031 -3.603 4.437 1.00 0.00 N ATOM 899 CA LEU A 60 8.613 -3.044 3.156 1.00 0.00 C ATOM 900 C LEU A 60 7.799 -1.769 3.358 1.00 0.00 C ATOM 901 O LEU A 60 8.025 -0.764 2.684 1.00 0.00 O ATOM 902 CB LEU A 60 7.791 -4.069 2.373 1.00 0.00 C ATOM 903 CG LEU A 60 7.343 -3.614 0.982 1.00 0.00 C ATOM 904 CD1 LEU A 60 8.525 -3.584 0.026 1.00 0.00 C ATOM 905 CD2 LEU A 60 6.248 -4.525 0.451 1.00 0.00 C ATOM 0 H LEU A 60 8.685 -4.545 4.619 1.00 0.00 H new ATOM 0 HA LEU A 60 9.509 -2.795 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.380 -4.980 2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.907 -4.326 2.957 1.00 0.00 H new ATOM 0 HG LEU A 60 6.940 -2.604 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.189 -3.258 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.278 -2.890 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.957 -4.582 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.941 -4.187 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.624 -5.546 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.392 -4.496 1.125 1.00 0.00 H new ATOM 917 N ALA A 61 6.852 -1.818 4.289 1.00 0.00 N ATOM 918 CA ALA A 61 6.005 -0.669 4.579 1.00 0.00 C ATOM 919 C ALA A 61 6.836 0.530 5.025 1.00 0.00 C ATOM 920 O ALA A 61 6.449 1.679 4.816 1.00 0.00 O ATOM 921 CB ALA A 61 4.979 -1.026 5.643 1.00 0.00 C ATOM 0 H ALA A 61 6.652 -2.642 4.856 1.00 0.00 H new ATOM 0 HA ALA A 61 5.483 -0.394 3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.353 -0.158 5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.356 -1.847 5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.492 -1.329 6.556 1.00 0.00 H new ATOM 927 N SER A 62 7.981 0.254 5.642 1.00 0.00 N ATOM 928 CA SER A 62 8.865 1.311 6.119 1.00 0.00 C ATOM 929 C SER A 62 9.886 1.690 5.051 1.00 0.00 C ATOM 930 O SER A 62 10.318 2.840 4.972 1.00 0.00 O ATOM 931 CB SER A 62 9.583 0.868 7.394 1.00 0.00 C ATOM 932 OG SER A 62 8.878 1.288 8.550 1.00 0.00 O ATOM 0 H SER A 62 8.318 -0.692 5.823 1.00 0.00 H new ATOM 0 HA SER A 62 8.256 2.187 6.340 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.683 -0.217 7.400 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.591 1.281 7.409 1.00 0.00 H new ATOM 0 HG SER A 62 9.357 0.991 9.351 1.00 0.00 H new ATOM 938 N LYS A 63 10.268 0.715 4.232 1.00 0.00 N ATOM 939 CA LYS A 63 11.239 0.946 3.169 1.00 0.00 C ATOM 940 C LYS A 63 10.623 1.763 2.036 1.00 0.00 C ATOM 941 O LYS A 63 11.254 2.676 1.502 1.00 0.00 O ATOM 942 CB LYS A 63 11.763 -0.387 2.630 1.00 0.00 C ATOM 943 CG LYS A 63 13.200 -0.681 3.026 1.00 0.00 C ATOM 944 CD LYS A 63 14.176 -0.250 1.943 1.00 0.00 C ATOM 945 CE LYS A 63 15.361 -1.197 1.852 1.00 0.00 C ATOM 946 NZ LYS A 63 16.628 -0.475 1.554 1.00 0.00 N ATOM 0 H LYS A 63 9.920 -0.242 4.284 1.00 0.00 H new ATOM 0 HA LYS A 63 12.071 1.512 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.123 -1.192 2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.688 -0.384 1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.435 -0.164 3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.315 -1.748 3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.663 -0.215 0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 63 14.531 0.759 2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.465 -1.740 2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.174 -1.938 1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.185 -1.021 0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.409 0.461 1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.176 -0.360 2.430 1.00 0.00 H new ATOM 960 N LEU A 64 9.388 1.429 1.676 1.00 0.00 N ATOM 961 CA LEU A 64 8.688 2.132 0.608 1.00 0.00 C ATOM 962 C LEU A 64 8.561 3.619 0.922 1.00 0.00 C ATOM 963 O LEU A 64 8.528 4.454 0.019 1.00 0.00 O ATOM 964 CB LEU A 64 7.300 1.524 0.394 1.00 0.00 C ATOM 965 CG LEU A 64 7.294 0.098 -0.159 1.00 0.00 C ATOM 966 CD1 LEU A 64 5.892 -0.488 -0.113 1.00 0.00 C ATOM 967 CD2 LEU A 64 7.838 0.076 -1.580 1.00 0.00 C ATOM 0 H LEU A 64 8.852 0.676 2.108 1.00 0.00 H new ATOM 0 HA LEU A 64 9.272 2.023 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.767 1.530 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.741 2.164 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 64 7.941 -0.517 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.909 -1.503 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.540 -0.508 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.221 0.126 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.827 -0.946 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.217 0.706 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.861 0.453 -1.584 1.00 0.00 H new ATOM 979 N ILE A 65 8.490 3.943 2.209 1.00 0.00 N ATOM 980 CA ILE A 65 8.367 5.330 2.642 1.00 0.00 C ATOM 981 C ILE A 65 9.734 5.996 2.748 1.00 0.00 C ATOM 982 O ILE A 65 9.947 7.086 2.215 1.00 0.00 O ATOM 983 CB ILE A 65 7.652 5.432 4.003 1.00 0.00 C ATOM 984 CG1 ILE A 65 6.361 4.612 3.988 1.00 0.00 C ATOM 985 CG2 ILE A 65 7.362 6.886 4.344 1.00 0.00 C ATOM 986 CD1 ILE A 65 5.671 4.547 5.333 1.00 0.00 C ATOM 0 H ILE A 65 8.516 3.264 2.970 1.00 0.00 H new ATOM 0 HA ILE A 65 7.772 5.845 1.888 1.00 0.00 H new ATOM 0 HB ILE A 65 8.308 5.026 4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.676 5.042 3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.587 3.599 3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.857 6.940 5.308 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.298 7.442 4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.723 7.320 3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.763 3.950 5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.339 4.090 6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.413 5.555 5.659 1.00 0.00 H new ATOM 998 N SER A 66 10.657 5.336 3.439 1.00 0.00 N ATOM 999 CA SER A 66 12.004 5.866 3.615 1.00 0.00 C ATOM 1000 C SER A 66 12.718 6.000 2.273 1.00 0.00 C ATOM 1001 O SER A 66 13.574 6.869 2.099 1.00 0.00 O ATOM 1002 CB SER A 66 12.812 4.962 4.549 1.00 0.00 C ATOM 1003 OG SER A 66 13.578 5.727 5.463 1.00 0.00 O ATOM 0 H SER A 66 10.497 4.433 3.886 1.00 0.00 H new ATOM 0 HA SER A 66 11.922 6.857 4.061 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.137 4.304 5.097 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.472 4.324 3.961 1.00 0.00 H new ATOM 0 HG SER A 66 14.083 5.126 6.049 1.00 0.00 H new ATOM 1009 N MET A 67 12.362 5.135 1.329 1.00 0.00 N ATOM 1010 CA MET A 67 12.972 5.157 0.004 1.00 0.00 C ATOM 1011 C MET A 67 12.348 6.243 -0.867 1.00 0.00 C ATOM 1012 O MET A 67 13.051 6.963 -1.575 1.00 0.00 O ATOM 1013 CB MET A 67 12.820 3.794 -0.673 1.00 0.00 C ATOM 1014 CG MET A 67 13.768 2.736 -0.132 1.00 0.00 C ATOM 1015 SD MET A 67 14.355 1.609 -1.411 1.00 0.00 S ATOM 1016 CE MET A 67 12.802 0.981 -2.047 1.00 0.00 C ATOM 0 H MET A 67 11.655 4.411 1.456 1.00 0.00 H new ATOM 0 HA MET A 67 14.032 5.379 0.125 1.00 0.00 H new ATOM 0 HB2 MET A 67 11.794 3.448 -0.548 1.00 0.00 H new ATOM 0 HB3 MET A 67 12.990 3.909 -1.744 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.623 3.225 0.336 1.00 0.00 H new ATOM 0 HG3 MET A 67 13.262 2.164 0.646 1.00 0.00 H new ATOM 0 HE1 MET A 67 12.856 -0.104 -2.133 1.00 0.00 H new ATOM 0 HE2 MET A 67 11.994 1.252 -1.367 1.00 0.00 H new ATOM 0 HE3 MET A 67 12.610 1.413 -3.029 1.00 0.00 H new ATOM 1026 N TYR A 68 11.025 6.355 -0.809 1.00 0.00 N ATOM 1027 CA TYR A 68 10.308 7.353 -1.594 1.00 0.00 C ATOM 1028 C TYR A 68 9.487 8.271 -0.694 1.00 0.00 C ATOM 1029 O TYR A 68 9.795 9.453 -0.549 1.00 0.00 O ATOM 1030 CB TYR A 68 9.397 6.670 -2.616 1.00 0.00 C ATOM 1031 CG TYR A 68 10.110 5.657 -3.484 1.00 0.00 C ATOM 1032 CD1 TYR A 68 10.911 6.063 -4.543 1.00 0.00 C ATOM 1033 CD2 TYR A 68 9.980 4.296 -3.242 1.00 0.00 C ATOM 1034 CE1 TYR A 68 11.564 5.141 -5.338 1.00 0.00 C ATOM 1035 CE2 TYR A 68 10.631 3.367 -4.033 1.00 0.00 C ATOM 1036 CZ TYR A 68 11.420 3.794 -5.079 1.00 0.00 C ATOM 1037 OH TYR A 68 12.069 2.873 -5.869 1.00 0.00 O ATOM 0 H TYR A 68 10.428 5.767 -0.227 1.00 0.00 H new ATOM 0 HA TYR A 68 11.044 7.959 -2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.582 6.174 -2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.948 7.430 -3.255 1.00 0.00 H new ATOM 0 HD1 TYR A 68 11.025 7.117 -4.749 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.361 3.958 -2.424 1.00 0.00 H new ATOM 0 HE1 TYR A 68 12.184 5.473 -6.158 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.522 2.312 -3.832 1.00 0.00 H new ATOM 0 HH TYR A 68 12.065 2.000 -5.424 1.00 0.00 H new ATOM 1047 N GLY A 69 8.440 7.717 -0.090 1.00 0.00 N ATOM 1048 CA GLY A 69 7.590 8.500 0.788 1.00 0.00 C ATOM 1049 C GLY A 69 6.331 7.760 1.192 1.00 0.00 C ATOM 1050 O GLY A 69 6.024 6.700 0.645 1.00 0.00 O ATOM 0 H GLY A 69 8.165 6.740 -0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.150 8.772 1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.316 9.429 0.289 1.00 0.00 H new ATOM 1054 N ALA A 70 5.600 8.319 2.151 1.00 0.00 N ATOM 1055 CA ALA A 70 4.368 7.704 2.629 1.00 0.00 C ATOM 1056 C ALA A 70 3.293 7.713 1.548 1.00 0.00 C ATOM 1057 O ALA A 70 2.642 6.700 1.296 1.00 0.00 O ATOM 1058 CB ALA A 70 3.871 8.421 3.875 1.00 0.00 C ATOM 0 H ALA A 70 5.840 9.197 2.612 1.00 0.00 H new ATOM 0 HA ALA A 70 4.584 6.666 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.950 7.952 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.627 8.358 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.679 9.468 3.640 1.00 0.00 H new ATOM 1064 N GLN A 71 3.112 8.866 0.910 1.00 0.00 N ATOM 1065 CA GLN A 71 2.116 9.007 -0.147 1.00 0.00 C ATOM 1066 C GLN A 71 2.566 8.295 -1.418 1.00 0.00 C ATOM 1067 O GLN A 71 1.743 7.802 -2.189 1.00 0.00 O ATOM 1068 CB GLN A 71 1.859 10.485 -0.439 1.00 0.00 C ATOM 1069 CG GLN A 71 0.784 11.103 0.442 1.00 0.00 C ATOM 1070 CD GLN A 71 1.358 11.996 1.525 1.00 0.00 C ATOM 1071 OE1 GLN A 71 2.541 12.335 1.505 1.00 0.00 O ATOM 1072 NE2 GLN A 71 0.519 12.383 2.478 1.00 0.00 N ATOM 0 H GLN A 71 3.642 9.715 1.106 1.00 0.00 H new ATOM 0 HA GLN A 71 1.190 8.546 0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.788 11.040 -0.307 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.568 10.595 -1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.101 11.684 -0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.198 10.309 0.904 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.454 12.078 2.455 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.847 12.985 3.233 1.00 0.00 H new ATOM 1081 N GLU A 72 3.877 8.248 -1.630 1.00 0.00 N ATOM 1082 CA GLU A 72 4.437 7.597 -2.809 1.00 0.00 C ATOM 1083 C GLU A 72 4.408 6.079 -2.661 1.00 0.00 C ATOM 1084 O GLU A 72 4.229 5.353 -3.639 1.00 0.00 O ATOM 1085 CB GLU A 72 5.873 8.075 -3.045 1.00 0.00 C ATOM 1086 CG GLU A 72 6.056 8.831 -4.351 1.00 0.00 C ATOM 1087 CD GLU A 72 6.799 8.020 -5.395 1.00 0.00 C ATOM 1088 OE1 GLU A 72 8.046 8.072 -5.410 1.00 0.00 O ATOM 1089 OE2 GLU A 72 6.133 7.333 -6.198 1.00 0.00 O ATOM 0 H GLU A 72 4.571 8.653 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 72 3.825 7.868 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.174 8.718 -2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.540 7.213 -3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.079 9.113 -4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.601 9.755 -4.158 1.00 0.00 H new ATOM 1096 N ALA A 73 4.588 5.607 -1.432 1.00 0.00 N ATOM 1097 CA ALA A 73 4.583 4.175 -1.156 1.00 0.00 C ATOM 1098 C ALA A 73 3.259 3.537 -1.566 1.00 0.00 C ATOM 1099 O ALA A 73 3.236 2.468 -2.174 1.00 0.00 O ATOM 1100 CB ALA A 73 4.859 3.923 0.319 1.00 0.00 C ATOM 0 H ALA A 73 4.739 6.194 -0.612 1.00 0.00 H new ATOM 0 HA ALA A 73 5.374 3.714 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.853 2.850 0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.834 4.333 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.088 4.405 0.921 1.00 0.00 H new ATOM 1106 N VAL A 74 2.158 4.201 -1.228 1.00 0.00 N ATOM 1107 CA VAL A 74 0.831 3.698 -1.561 1.00 0.00 C ATOM 1108 C VAL A 74 0.660 3.549 -3.068 1.00 0.00 C ATOM 1109 O VAL A 74 -0.039 2.651 -3.539 1.00 0.00 O ATOM 1110 CB VAL A 74 -0.274 4.624 -1.019 1.00 0.00 C ATOM 1111 CG1 VAL A 74 -1.643 3.990 -1.206 1.00 0.00 C ATOM 1112 CG2 VAL A 74 -0.025 4.950 0.445 1.00 0.00 C ATOM 0 H VAL A 74 2.159 5.088 -0.724 1.00 0.00 H new ATOM 0 HA VAL A 74 0.738 2.719 -1.090 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.252 5.556 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.410 4.659 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.820 3.813 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.682 3.043 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.815 5.605 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.019 4.028 1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.938 5.450 0.548 1.00 0.00 H new ATOM 1122 N ARG A 75 1.302 4.436 -3.822 1.00 0.00 N ATOM 1123 CA ARG A 75 1.221 4.403 -5.278 1.00 0.00 C ATOM 1124 C ARG A 75 2.038 3.246 -5.844 1.00 0.00 C ATOM 1125 O ARG A 75 1.696 2.681 -6.883 1.00 0.00 O ATOM 1126 CB ARG A 75 1.714 5.726 -5.866 1.00 0.00 C ATOM 1127 CG ARG A 75 1.010 6.121 -7.154 1.00 0.00 C ATOM 1128 CD ARG A 75 1.508 7.462 -7.671 1.00 0.00 C ATOM 1129 NE ARG A 75 0.753 7.913 -8.837 1.00 0.00 N ATOM 1130 CZ ARG A 75 -0.479 8.412 -8.775 1.00 0.00 C ATOM 1131 NH1 ARG A 75 -1.100 8.521 -7.606 1.00 0.00 N ATOM 1132 NH2 ARG A 75 -1.093 8.801 -9.883 1.00 0.00 N ATOM 0 H ARG A 75 1.884 5.186 -3.449 1.00 0.00 H new ATOM 0 HA ARG A 75 0.177 4.255 -5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.574 6.516 -5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.785 5.653 -6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.175 5.354 -7.910 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.065 6.172 -6.982 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.431 8.207 -6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.563 7.381 -7.931 1.00 0.00 H new ATOM 0 HE ARG A 75 1.196 7.841 -9.753 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.633 8.222 -6.750 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.044 8.904 -7.564 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.621 8.718 -10.784 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.037 9.183 -9.835 1.00 0.00 H new ATOM 1146 N VAL A 76 3.120 2.899 -5.155 1.00 0.00 N ATOM 1147 CA VAL A 76 3.987 1.810 -5.589 1.00 0.00 C ATOM 1148 C VAL A 76 3.270 0.467 -5.500 1.00 0.00 C ATOM 1149 O VAL A 76 3.541 -0.445 -6.281 1.00 0.00 O ATOM 1150 CB VAL A 76 5.276 1.749 -4.747 1.00 0.00 C ATOM 1151 CG1 VAL A 76 6.238 0.715 -5.313 1.00 0.00 C ATOM 1152 CG2 VAL A 76 5.935 3.118 -4.676 1.00 0.00 C ATOM 0 H VAL A 76 3.417 3.357 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 76 4.250 2.010 -6.628 1.00 0.00 H new ATOM 0 HB VAL A 76 5.010 1.447 -3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.142 0.687 -4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.764 -0.267 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.498 0.982 -6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.843 3.054 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.187 3.453 -5.682 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.248 3.829 -4.218 1.00 0.00 H new ATOM 1162 N VAL A 77 2.356 0.351 -4.542 1.00 0.00 N ATOM 1163 CA VAL A 77 1.602 -0.883 -4.352 1.00 0.00 C ATOM 1164 C VAL A 77 0.390 -0.936 -5.275 1.00 0.00 C ATOM 1165 O VAL A 77 0.103 -1.970 -5.880 1.00 0.00 O ATOM 1166 CB VAL A 77 1.130 -1.034 -2.893 1.00 0.00 C ATOM 1167 CG1 VAL A 77 0.523 -2.410 -2.667 1.00 0.00 C ATOM 1168 CG2 VAL A 77 2.281 -0.787 -1.931 1.00 0.00 C ATOM 0 H VAL A 77 2.120 1.095 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 77 2.275 -1.705 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 77 0.360 -0.287 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.196 -2.498 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.332 -2.544 -3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.269 -3.176 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.928 -0.898 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.076 -1.508 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.665 0.223 -2.075 1.00 0.00 H new ATOM 1178 N SER A 78 -0.320 0.182 -5.378 1.00 0.00 N ATOM 1179 CA SER A 78 -1.503 0.262 -6.228 1.00 0.00 C ATOM 1180 C SER A 78 -1.153 -0.043 -7.681 1.00 0.00 C ATOM 1181 O SER A 78 -1.981 -0.557 -8.434 1.00 0.00 O ATOM 1182 CB SER A 78 -2.139 1.649 -6.125 1.00 0.00 C ATOM 1183 OG SER A 78 -2.597 1.904 -4.808 1.00 0.00 O ATOM 0 H SER A 78 -0.097 1.046 -4.883 1.00 0.00 H new ATOM 0 HA SER A 78 -2.218 -0.484 -5.882 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.412 2.408 -6.414 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.972 1.723 -6.824 1.00 0.00 H new ATOM 0 HG SER A 78 -1.841 2.170 -4.245 1.00 0.00 H new ATOM 1189 N ARG A 79 0.077 0.276 -8.070 1.00 0.00 N ATOM 1190 CA ARG A 79 0.535 0.036 -9.433 1.00 0.00 C ATOM 1191 C ARG A 79 0.784 -1.451 -9.672 1.00 0.00 C ATOM 1192 O ARG A 79 0.624 -1.944 -10.789 1.00 0.00 O ATOM 1193 CB ARG A 79 1.813 0.828 -9.711 1.00 0.00 C ATOM 1194 CG ARG A 79 1.565 2.294 -10.032 1.00 0.00 C ATOM 1195 CD ARG A 79 2.751 2.917 -10.750 1.00 0.00 C ATOM 1196 NE ARG A 79 3.524 3.795 -9.874 1.00 0.00 N ATOM 1197 CZ ARG A 79 4.446 3.364 -9.016 1.00 0.00 C ATOM 1198 NH1 ARG A 79 4.717 2.068 -8.914 1.00 0.00 N ATOM 1199 NH2 ARG A 79 5.101 4.232 -8.257 1.00 0.00 N ATOM 0 H ARG A 79 0.775 0.702 -7.460 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.248 0.369 -10.115 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.468 0.761 -8.842 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.342 0.367 -10.545 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.674 2.386 -10.653 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.369 2.841 -9.110 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.398 2.128 -11.134 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.396 3.485 -11.610 1.00 0.00 H new ATOM 0 HE ARG A 79 3.346 4.798 -9.923 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.217 1.395 -9.495 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.425 1.745 -8.254 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.898 5.229 -8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.808 3.903 -7.599 1.00 0.00 H new ATOM 1213 N SER A 80 1.175 -2.158 -8.618 1.00 0.00 N ATOM 1214 CA SER A 80 1.447 -3.588 -8.717 1.00 0.00 C ATOM 1215 C SER A 80 0.156 -4.397 -8.638 1.00 0.00 C ATOM 1216 O SER A 80 0.054 -5.478 -9.216 1.00 0.00 O ATOM 1217 CB SER A 80 2.403 -4.024 -7.605 1.00 0.00 C ATOM 1218 OG SER A 80 2.080 -3.395 -6.377 1.00 0.00 O ATOM 0 H SER A 80 1.311 -1.766 -7.686 1.00 0.00 H new ATOM 0 HA SER A 80 1.913 -3.776 -9.684 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.357 -5.106 -7.486 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.427 -3.778 -7.885 1.00 0.00 H new ATOM 0 HG SER A 80 1.111 -3.260 -6.323 1.00 0.00 H new ATOM 1224 N LEU A 81 -0.829 -3.866 -7.919 1.00 0.00 N ATOM 1225 CA LEU A 81 -2.113 -4.540 -7.765 1.00 0.00 C ATOM 1226 C LEU A 81 -2.772 -4.776 -9.121 1.00 0.00 C ATOM 1227 O LEU A 81 -3.360 -5.830 -9.361 1.00 0.00 O ATOM 1228 CB LEU A 81 -3.041 -3.716 -6.872 1.00 0.00 C ATOM 1229 CG LEU A 81 -2.631 -3.643 -5.401 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -3.471 -2.612 -4.663 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -2.762 -5.009 -4.743 1.00 0.00 C ATOM 0 H LEU A 81 -0.762 -2.971 -7.434 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.932 -5.507 -7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.095 -2.702 -7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.045 -4.136 -6.933 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.587 -3.335 -5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.165 -2.574 -3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.328 -1.632 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.523 -2.890 -4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.466 -4.939 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.797 -5.345 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.117 -5.723 -5.255 1.00 0.00 H new ATOM 1243 N LEU A 82 -2.672 -3.788 -10.003 1.00 0.00 N ATOM 1244 CA LEU A 82 -3.259 -3.888 -11.334 1.00 0.00 C ATOM 1245 C LEU A 82 -2.670 -5.067 -12.103 1.00 0.00 C ATOM 1246 O LEU A 82 -3.379 -5.765 -12.827 1.00 0.00 O ATOM 1247 CB LEU A 82 -3.034 -2.591 -12.113 1.00 0.00 C ATOM 1248 CG LEU A 82 -3.766 -1.367 -11.558 1.00 0.00 C ATOM 1249 CD1 LEU A 82 -3.531 -0.156 -12.448 1.00 0.00 C ATOM 1250 CD2 LEU A 82 -5.254 -1.653 -11.424 1.00 0.00 C ATOM 0 H LEU A 82 -2.190 -2.908 -9.820 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.330 -4.053 -11.219 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.965 -2.378 -12.133 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.348 -2.746 -13.145 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.368 -1.146 -10.568 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.059 0.705 -12.038 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.464 0.061 -12.493 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.902 -0.365 -13.452 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.760 -0.772 -11.028 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.667 -1.899 -12.402 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.403 -2.493 -10.745 1.00 0.00 H new ATOM 1262 N ALA A 83 -1.368 -5.282 -11.940 1.00 0.00 N ATOM 1263 CA ALA A 83 -0.684 -6.376 -12.619 1.00 0.00 C ATOM 1264 C ALA A 83 -1.267 -7.725 -12.211 1.00 0.00 C ATOM 1265 O ALA A 83 -1.363 -8.643 -13.027 1.00 0.00 O ATOM 1266 CB ALA A 83 0.807 -6.330 -12.321 1.00 0.00 C ATOM 0 H ALA A 83 -0.766 -4.713 -11.344 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.833 -6.256 -13.692 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.306 -7.152 -12.834 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.218 -5.382 -12.669 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.966 -6.422 -11.247 1.00 0.00 H new ATOM 1272 N MET A 84 -1.653 -7.840 -10.945 1.00 0.00 N ATOM 1273 CA MET A 84 -2.227 -9.078 -10.430 1.00 0.00 C ATOM 1274 C MET A 84 -3.750 -8.989 -10.327 1.00 0.00 C ATOM 1275 O MET A 84 -4.406 -9.942 -9.910 1.00 0.00 O ATOM 1276 CB MET A 84 -1.632 -9.407 -9.059 1.00 0.00 C ATOM 1277 CG MET A 84 -0.112 -9.437 -9.045 1.00 0.00 C ATOM 1278 SD MET A 84 0.548 -10.777 -8.035 1.00 0.00 S ATOM 1279 CE MET A 84 -0.129 -10.360 -6.431 1.00 0.00 C ATOM 0 H MET A 84 -1.579 -7.091 -10.256 1.00 0.00 H new ATOM 0 HA MET A 84 -1.981 -9.874 -11.132 1.00 0.00 H new ATOM 0 HB2 MET A 84 -1.979 -8.669 -8.335 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.009 -10.376 -8.732 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.255 -9.543 -10.066 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.263 -8.485 -8.669 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.481 -10.813 -5.650 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.131 -9.277 -6.307 1.00 0.00 H new ATOM 0 HE3 MET A 84 -1.150 -10.736 -6.358 1.00 0.00 H new ATOM 1289 N ASN A 85 -4.309 -7.841 -10.708 1.00 0.00 N ATOM 1290 CA ASN A 85 -5.752 -7.641 -10.653 1.00 0.00 C ATOM 1291 C ASN A 85 -6.265 -7.760 -9.221 1.00 0.00 C ATOM 1292 O ASN A 85 -6.734 -8.819 -8.806 1.00 0.00 O ATOM 1293 CB ASN A 85 -6.465 -8.658 -11.547 1.00 0.00 C ATOM 1294 CG ASN A 85 -6.571 -8.190 -12.986 1.00 0.00 C ATOM 1295 OD1 ASN A 85 -5.835 -8.652 -13.858 1.00 0.00 O ATOM 1296 ND2 ASN A 85 -7.492 -7.267 -13.241 1.00 0.00 N ATOM 0 H ASN A 85 -3.784 -7.039 -11.057 1.00 0.00 H new ATOM 0 HA ASN A 85 -5.967 -6.635 -11.015 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.927 -9.606 -11.515 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.464 -8.845 -11.154 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.611 -6.913 -14.190 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.081 -6.912 -12.487 1.00 0.00 H new ATOM 1303 N LEU A 86 -6.171 -6.667 -8.471 1.00 0.00 N ATOM 1304 CA LEU A 86 -6.625 -6.650 -7.085 1.00 0.00 C ATOM 1305 C LEU A 86 -7.248 -5.302 -6.733 1.00 0.00 C ATOM 1306 O LEU A 86 -6.567 -4.399 -6.250 1.00 0.00 O ATOM 1307 CB LEU A 86 -5.459 -6.947 -6.141 1.00 0.00 C ATOM 1308 CG LEU A 86 -4.782 -8.302 -6.355 1.00 0.00 C ATOM 1309 CD1 LEU A 86 -3.381 -8.297 -5.765 1.00 0.00 C ATOM 1310 CD2 LEU A 86 -5.616 -9.416 -5.741 1.00 0.00 C ATOM 0 H LEU A 86 -5.785 -5.782 -8.799 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.384 -7.423 -6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.711 -6.162 -6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.821 -6.897 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.702 -8.482 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.915 -9.269 -5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.785 -7.524 -6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.437 -8.095 -4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.120 -10.373 -5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.726 -9.240 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.600 -9.434 -6.209 1.00 0.00 H new ATOM 1322 N MET A 87 -8.548 -5.175 -6.982 1.00 0.00 N ATOM 1323 CA MET A 87 -9.263 -3.937 -6.692 1.00 0.00 C ATOM 1324 C MET A 87 -9.585 -3.822 -5.204 1.00 0.00 C ATOM 1325 O MET A 87 -9.764 -2.721 -4.683 1.00 0.00 O ATOM 1326 CB MET A 87 -10.555 -3.870 -7.510 1.00 0.00 C ATOM 1327 CG MET A 87 -10.350 -4.127 -8.994 1.00 0.00 C ATOM 1328 SD MET A 87 -10.136 -2.608 -9.940 1.00 0.00 S ATOM 1329 CE MET A 87 -8.425 -2.761 -10.446 1.00 0.00 C ATOM 0 H MET A 87 -9.127 -5.913 -7.383 1.00 0.00 H new ATOM 0 HA MET A 87 -8.617 -3.103 -6.968 1.00 0.00 H new ATOM 0 HB2 MET A 87 -11.262 -4.601 -7.118 1.00 0.00 H new ATOM 0 HB3 MET A 87 -11.007 -2.887 -7.379 1.00 0.00 H new ATOM 0 HG2 MET A 87 -9.475 -4.762 -9.131 1.00 0.00 H new ATOM 0 HG3 MET A 87 -11.206 -4.676 -9.385 1.00 0.00 H new ATOM 0 HE1 MET A 87 -8.143 -1.893 -11.042 1.00 0.00 H new ATOM 0 HE2 MET A 87 -7.788 -2.818 -9.563 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.301 -3.666 -11.041 1.00 0.00 H new ATOM 1339 N GLU A 88 -9.658 -4.963 -4.525 1.00 0.00 N ATOM 1340 CA GLU A 88 -9.958 -4.988 -3.098 1.00 0.00 C ATOM 1341 C GLU A 88 -8.951 -4.153 -2.312 1.00 0.00 C ATOM 1342 O GLU A 88 -9.295 -3.527 -1.310 1.00 0.00 O ATOM 1343 CB GLU A 88 -9.956 -6.427 -2.581 1.00 0.00 C ATOM 1344 CG GLU A 88 -8.619 -7.130 -2.745 1.00 0.00 C ATOM 1345 CD GLU A 88 -8.670 -8.586 -2.324 1.00 0.00 C ATOM 1346 OE1 GLU A 88 -9.371 -9.374 -2.993 1.00 0.00 O ATOM 1347 OE2 GLU A 88 -8.008 -8.938 -1.325 1.00 0.00 O ATOM 0 H GLU A 88 -9.513 -5.883 -4.941 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.949 -4.557 -2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.229 -6.426 -1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.723 -6.995 -3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.305 -7.068 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.865 -6.611 -2.154 1.00 0.00 H new ATOM 1354 N LEU A 89 -7.706 -4.148 -2.777 1.00 0.00 N ATOM 1355 CA LEU A 89 -6.649 -3.391 -2.118 1.00 0.00 C ATOM 1356 C LEU A 89 -6.550 -1.982 -2.695 1.00 0.00 C ATOM 1357 O LEU A 89 -6.218 -1.031 -1.986 1.00 0.00 O ATOM 1358 CB LEU A 89 -5.306 -4.113 -2.268 1.00 0.00 C ATOM 1359 CG LEU A 89 -4.903 -4.982 -1.076 1.00 0.00 C ATOM 1360 CD1 LEU A 89 -3.901 -6.043 -1.505 1.00 0.00 C ATOM 1361 CD2 LEU A 89 -4.326 -4.122 0.039 1.00 0.00 C ATOM 0 H LEU A 89 -7.405 -4.659 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.896 -3.314 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.345 -4.740 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.527 -3.369 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.794 -5.483 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.625 -6.652 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.348 -6.677 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.011 -5.561 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.045 -4.757 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.446 -3.594 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.074 -3.399 0.365 1.00 0.00 H new ATOM 1373 N VAL A 90 -6.840 -1.855 -3.985 1.00 0.00 N ATOM 1374 CA VAL A 90 -6.784 -0.562 -4.657 1.00 0.00 C ATOM 1375 C VAL A 90 -7.858 0.381 -4.127 1.00 0.00 C ATOM 1376 O VAL A 90 -7.677 1.598 -4.111 1.00 0.00 O ATOM 1377 CB VAL A 90 -6.955 -0.714 -6.181 1.00 0.00 C ATOM 1378 CG1 VAL A 90 -6.750 0.622 -6.880 1.00 0.00 C ATOM 1379 CG2 VAL A 90 -5.995 -1.761 -6.726 1.00 0.00 C ATOM 0 H VAL A 90 -7.116 -2.631 -4.586 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.801 -0.140 -4.449 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.973 -1.049 -6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.875 0.493 -7.955 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.483 1.341 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.745 0.990 -6.673 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.131 -1.854 -7.803 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.969 -1.459 -6.514 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.196 -2.721 -6.251 1.00 0.00 H new ATOM 1389 N ASP A 91 -8.977 -0.189 -3.692 1.00 0.00 N ATOM 1390 CA ASP A 91 -10.082 0.603 -3.161 1.00 0.00 C ATOM 1391 C ASP A 91 -9.716 1.217 -1.812 1.00 0.00 C ATOM 1392 O ASP A 91 -10.233 2.270 -1.438 1.00 0.00 O ATOM 1393 CB ASP A 91 -11.334 -0.264 -3.019 1.00 0.00 C ATOM 1394 CG ASP A 91 -12.575 0.416 -3.563 1.00 0.00 C ATOM 1395 OD1 ASP A 91 -12.557 1.658 -3.703 1.00 0.00 O ATOM 1396 OD2 ASP A 91 -13.563 -0.291 -3.850 1.00 0.00 O ATOM 0 H ASP A 91 -9.143 -1.195 -3.696 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.286 1.412 -3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.181 -1.207 -3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.487 -0.506 -1.967 1.00 0.00 H new ATOM 1401 N TYR A 92 -8.824 0.553 -1.084 1.00 0.00 N ATOM 1402 CA TYR A 92 -8.393 1.036 0.223 1.00 0.00 C ATOM 1403 C TYR A 92 -7.178 1.949 0.097 1.00 0.00 C ATOM 1404 O TYR A 92 -7.124 3.015 0.709 1.00 0.00 O ATOM 1405 CB TYR A 92 -8.065 -0.144 1.141 1.00 0.00 C ATOM 1406 CG TYR A 92 -7.646 0.270 2.534 1.00 0.00 C ATOM 1407 CD1 TYR A 92 -8.484 1.039 3.333 1.00 0.00 C ATOM 1408 CD2 TYR A 92 -6.412 -0.107 3.050 1.00 0.00 C ATOM 1409 CE1 TYR A 92 -8.105 1.420 4.605 1.00 0.00 C ATOM 1410 CE2 TYR A 92 -6.026 0.270 4.322 1.00 0.00 C ATOM 1411 CZ TYR A 92 -6.875 1.033 5.096 1.00 0.00 C ATOM 1412 OH TYR A 92 -6.494 1.411 6.363 1.00 0.00 O ATOM 0 H TYR A 92 -8.386 -0.320 -1.377 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.211 1.612 0.656 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.938 -0.792 1.211 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.266 -0.733 0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.448 1.344 2.953 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -5.744 -0.704 2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.768 2.018 5.213 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.064 -0.032 4.708 1.00 0.00 H new ATOM 0 HH TYR A 92 -5.726 0.873 6.648 1.00 0.00 H new ATOM 1422 N LEU A 93 -6.203 1.522 -0.699 1.00 0.00 N ATOM 1423 CA LEU A 93 -4.987 2.301 -0.904 1.00 0.00 C ATOM 1424 C LEU A 93 -5.306 3.667 -1.504 1.00 0.00 C ATOM 1425 O LEU A 93 -4.607 4.646 -1.246 1.00 0.00 O ATOM 1426 CB LEU A 93 -4.020 1.545 -1.815 1.00 0.00 C ATOM 1427 CG LEU A 93 -3.460 0.248 -1.227 1.00 0.00 C ATOM 1428 CD1 LEU A 93 -2.495 -0.408 -2.203 1.00 0.00 C ATOM 1429 CD2 LEU A 93 -2.773 0.520 0.103 1.00 0.00 C ATOM 0 H LEU A 93 -6.231 0.641 -1.212 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.517 2.454 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.531 1.312 -2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.187 2.203 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.289 -0.438 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.107 -1.329 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.017 -0.638 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.669 0.272 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.381 -0.413 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.954 1.223 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.492 0.945 0.804 1.00 0.00 H new ATOM 1441 N ASN A 94 -6.365 3.725 -2.306 1.00 0.00 N ATOM 1442 CA ASN A 94 -6.773 4.973 -2.941 1.00 0.00 C ATOM 1443 C ASN A 94 -7.529 5.862 -1.959 1.00 0.00 C ATOM 1444 O ASN A 94 -7.382 7.085 -1.975 1.00 0.00 O ATOM 1445 CB ASN A 94 -7.647 4.686 -4.163 1.00 0.00 C ATOM 1446 CG ASN A 94 -6.833 4.535 -5.433 1.00 0.00 C ATOM 1447 OD1 ASN A 94 -5.650 4.874 -5.470 1.00 0.00 O ATOM 1448 ND2 ASN A 94 -7.464 4.024 -6.483 1.00 0.00 N ATOM 0 H ASN A 94 -6.955 2.924 -2.531 1.00 0.00 H new ATOM 0 HA ASN A 94 -5.874 5.499 -3.261 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.219 3.774 -3.991 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.366 5.495 -4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -6.967 3.899 -7.365 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.445 3.757 -6.408 1.00 0.00 H new ATOM 1455 N GLN A 95 -8.336 5.242 -1.104 1.00 0.00 N ATOM 1456 CA GLN A 95 -9.113 5.980 -0.115 1.00 0.00 C ATOM 1457 C GLN A 95 -8.198 6.762 0.822 1.00 0.00 C ATOM 1458 O GLN A 95 -8.563 7.829 1.314 1.00 0.00 O ATOM 1459 CB GLN A 95 -9.992 5.022 0.692 1.00 0.00 C ATOM 1460 CG GLN A 95 -11.376 5.574 0.992 1.00 0.00 C ATOM 1461 CD GLN A 95 -12.283 5.567 -0.222 1.00 0.00 C ATOM 1462 OE1 GLN A 95 -11.820 5.687 -1.357 1.00 0.00 O ATOM 1463 NE2 GLN A 95 -13.583 5.429 0.011 1.00 0.00 N ATOM 0 H GLN A 95 -8.469 4.231 -1.076 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.751 6.688 -0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.094 4.086 0.143 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -9.492 4.787 1.632 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.834 4.984 1.786 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.283 6.594 1.365 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.922 5.333 0.968 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.242 5.419 -0.767 1.00 0.00 H new ATOM 1472 N VAL A 96 -7.007 6.224 1.064 1.00 0.00 N ATOM 1473 CA VAL A 96 -6.040 6.871 1.941 1.00 0.00 C ATOM 1474 C VAL A 96 -5.099 7.774 1.149 1.00 0.00 C ATOM 1475 O VAL A 96 -3.885 7.568 1.134 1.00 0.00 O ATOM 1476 CB VAL A 96 -5.208 5.836 2.722 1.00 0.00 C ATOM 1477 CG1 VAL A 96 -4.348 6.522 3.771 1.00 0.00 C ATOM 1478 CG2 VAL A 96 -6.116 4.797 3.363 1.00 0.00 C ATOM 0 H VAL A 96 -6.689 5.341 0.664 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.608 7.475 2.649 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.546 5.326 2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.768 5.774 4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.671 7.224 3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.988 7.061 4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.512 4.074 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.804 5.289 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.684 4.282 2.588 1.00 0.00 H new