USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 537 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 36 SER OG : rot 72:sc= 0.0149 USER MOD Set 1.2: A 39 GLN : amide:sc= 0.00589 K(o=0.021,f=-2.6!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.0337 X(o=-0.034,f=-0.4) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0.0845 X(o=0.085,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -3:sc= 0.413 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -74:sc= 0.396 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 88:sc= 0.476 USER MOD Single : A 56 GLN : amide:sc= -3.74 K(o=-3.7,f=-5!) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.0119 F(o=-0.56,f=-0.012) USER MOD Single : A 66 MET CE :methyl -159:sc= -0.864 (180deg=-1.57!) USER MOD Single : A 86 MET CE :methyl 157:sc= -0.08 (180deg=-0.755) USER MOD Single : A 87 HIS :FLIP no HE2:sc= -0.335 F(o=-1.6,f=-0.34) USER MOD Single : A 89 MET CE :methyl 145:sc= -2.44 (180deg=-7.52!) USER MOD Single : A 90 GLN : amide:sc= -1.41 K(o=-1.4,f=-2.6!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 85:sc= 0.0126 USER MOD ----------------------------------------------------------------- ATOM 126 N VAL A 9 -5.730 13.954 -0.038 1.00 0.00 N ATOM 127 CA VAL A 9 -5.236 12.614 0.240 1.00 0.00 C ATOM 128 C VAL A 9 -5.042 12.398 1.733 1.00 0.00 C ATOM 129 O VAL A 9 -4.701 13.323 2.470 1.00 0.00 O ATOM 130 CB VAL A 9 -3.901 12.355 -0.483 1.00 0.00 C ATOM 131 CG1 VAL A 9 -2.864 13.389 -0.072 1.00 0.00 C ATOM 132 CG2 VAL A 9 -3.398 10.945 -0.200 1.00 0.00 C ATOM 0 HA VAL A 9 -5.986 11.914 -0.128 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.069 12.445 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.927 13.191 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.220 14.385 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.701 13.332 1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.454 10.784 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.247 10.821 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.133 10.220 -0.549 1.00 0.00 H new ATOM 142 N GLY A 10 -5.268 11.167 2.173 1.00 0.00 N ATOM 143 CA GLY A 10 -5.093 10.836 3.570 1.00 0.00 C ATOM 144 C GLY A 10 -3.639 10.586 3.908 1.00 0.00 C ATOM 145 O GLY A 10 -3.171 10.935 4.993 1.00 0.00 O ATOM 0 H GLY A 10 -5.570 10.391 1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.476 11.649 4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.680 9.950 3.810 1.00 0.00 H new ATOM 149 N TRP A 11 -2.918 10.001 2.957 1.00 0.00 N ATOM 150 CA TRP A 11 -1.503 9.706 3.131 1.00 0.00 C ATOM 151 C TRP A 11 -0.649 10.929 2.797 1.00 0.00 C ATOM 152 O TRP A 11 -0.956 11.681 1.872 1.00 0.00 O ATOM 153 CB TRP A 11 -1.109 8.510 2.251 1.00 0.00 C ATOM 154 CG TRP A 11 0.369 8.320 2.096 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.142 7.372 2.702 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.250 9.095 1.275 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.452 7.512 2.311 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.544 8.563 1.435 1.00 0.00 C ATOM 159 CE3 TRP A 11 1.071 10.188 0.424 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.651 9.089 0.773 1.00 0.00 C ATOM 161 CZ3 TRP A 11 2.171 10.708 -0.233 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.446 10.158 -0.054 1.00 0.00 C ATOM 0 H TRP A 11 -3.295 9.721 2.052 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.323 9.449 4.175 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.537 7.603 2.678 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.553 8.638 1.264 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.777 6.622 3.388 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.229 6.929 2.622 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.091 10.619 0.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.636 8.667 0.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.045 11.552 -0.895 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.285 10.587 -0.581 1.00 0.00 H new ATOM 173 N ASP A 12 0.423 11.119 3.562 1.00 0.00 N ATOM 174 CA ASP A 12 1.326 12.246 3.350 1.00 0.00 C ATOM 175 C ASP A 12 2.771 11.848 3.648 1.00 0.00 C ATOM 176 O ASP A 12 3.021 10.962 4.465 1.00 0.00 O ATOM 177 CB ASP A 12 0.919 13.425 4.236 1.00 0.00 C ATOM 178 CG ASP A 12 -0.549 13.777 4.094 1.00 0.00 C ATOM 179 OD1 ASP A 12 -0.976 14.098 2.965 1.00 0.00 O ATOM 180 OD2 ASP A 12 -1.271 13.735 5.112 1.00 0.00 O ATOM 0 H ASP A 12 0.687 10.507 4.334 1.00 0.00 H new ATOM 0 HA ASP A 12 1.257 12.544 2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.133 13.184 5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.524 14.294 3.980 1.00 0.00 H new ATOM 185 N PRO A 13 3.746 12.502 2.991 1.00 0.00 N ATOM 186 CA PRO A 13 5.168 12.208 3.193 1.00 0.00 C ATOM 187 C PRO A 13 5.629 12.532 4.610 1.00 0.00 C ATOM 188 O PRO A 13 6.402 13.466 4.823 1.00 0.00 O ATOM 189 CB PRO A 13 5.883 13.114 2.180 1.00 0.00 C ATOM 190 CG PRO A 13 4.826 13.547 1.221 1.00 0.00 C ATOM 191 CD PRO A 13 3.545 13.570 2.001 1.00 0.00 C ATOM 0 HA PRO A 13 5.381 11.148 3.054 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.340 13.971 2.674 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.682 12.577 1.668 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.051 14.532 0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.758 12.859 0.379 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.379 14.536 2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.681 13.375 1.366 1.00 0.00 H new ATOM 199 N GLN A 14 5.151 11.754 5.576 1.00 0.00 N ATOM 200 CA GLN A 14 5.515 11.962 6.972 1.00 0.00 C ATOM 201 C GLN A 14 5.456 10.653 7.752 1.00 0.00 C ATOM 202 O GLN A 14 6.473 9.985 7.940 1.00 0.00 O ATOM 203 CB GLN A 14 4.585 12.994 7.613 1.00 0.00 C ATOM 204 CG GLN A 14 5.238 14.349 7.831 1.00 0.00 C ATOM 205 CD GLN A 14 4.251 15.496 7.721 1.00 0.00 C ATOM 206 OE1 GLN A 14 3.735 15.984 8.725 1.00 0.00 O ATOM 207 NE2 GLN A 14 3.986 15.932 6.495 1.00 0.00 N ATOM 0 H GLN A 14 4.512 10.975 5.418 1.00 0.00 H new ATOM 0 HA GLN A 14 6.539 12.335 7.003 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.706 13.121 6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.235 12.610 8.571 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.705 14.369 8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.033 14.487 7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.438 15.497 5.690 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.331 16.702 6.358 1.00 0.00 H new ATOM 216 N ASN A 15 4.259 10.290 8.203 1.00 0.00 N ATOM 217 CA ASN A 15 4.069 9.060 8.961 1.00 0.00 C ATOM 218 C ASN A 15 3.893 7.867 8.028 1.00 0.00 C ATOM 219 O ASN A 15 4.528 6.827 8.206 1.00 0.00 O ATOM 220 CB ASN A 15 2.853 9.186 9.882 1.00 0.00 C ATOM 221 CG ASN A 15 3.200 9.819 11.215 1.00 0.00 C ATOM 222 OD1 ASN A 15 4.181 9.444 11.856 1.00 0.00 O ATOM 223 ND2 ASN A 15 2.392 10.784 11.641 1.00 0.00 N ATOM 0 H ASN A 15 3.407 10.831 8.056 1.00 0.00 H new ATOM 0 HA ASN A 15 4.960 8.896 9.567 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.087 9.783 9.388 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.426 8.198 10.052 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.574 11.245 12.532 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.590 11.063 11.077 1.00 0.00 H new ATOM 230 N GLY A 16 3.029 8.027 7.031 1.00 0.00 N ATOM 231 CA GLY A 16 2.784 6.955 6.084 1.00 0.00 C ATOM 232 C GLY A 16 1.519 6.182 6.397 1.00 0.00 C ATOM 233 O GLY A 16 0.434 6.543 5.942 1.00 0.00 O ATOM 0 H GLY A 16 2.494 8.879 6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.712 7.372 5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.633 6.272 6.086 1.00 0.00 H new ATOM 237 N PHE A 17 1.659 5.115 7.178 1.00 0.00 N ATOM 238 CA PHE A 17 0.518 4.288 7.553 1.00 0.00 C ATOM 239 C PHE A 17 0.164 4.482 9.023 1.00 0.00 C ATOM 240 O PHE A 17 0.825 5.236 9.737 1.00 0.00 O ATOM 241 CB PHE A 17 0.823 2.813 7.286 1.00 0.00 C ATOM 242 CG PHE A 17 0.609 2.401 5.858 1.00 0.00 C ATOM 243 CD1 PHE A 17 -0.597 2.650 5.224 1.00 0.00 C ATOM 244 CD2 PHE A 17 1.611 1.754 5.153 1.00 0.00 C ATOM 245 CE1 PHE A 17 -0.799 2.265 3.912 1.00 0.00 C ATOM 246 CE2 PHE A 17 1.417 1.367 3.841 1.00 0.00 C ATOM 247 CZ PHE A 17 0.211 1.625 3.220 1.00 0.00 C ATOM 0 H PHE A 17 2.551 4.803 7.563 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.335 4.595 6.947 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.857 2.609 7.562 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.194 2.199 7.930 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.389 3.151 5.761 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.556 1.550 5.635 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.744 2.464 3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.207 0.864 3.303 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.057 1.327 2.194 1.00 0.00 H new ATOM 257 N ASP A 18 -0.879 3.791 9.470 1.00 0.00 N ATOM 258 CA ASP A 18 -1.320 3.881 10.856 1.00 0.00 C ATOM 259 C ASP A 18 -2.527 2.983 11.104 1.00 0.00 C ATOM 260 O ASP A 18 -3.637 3.468 11.326 1.00 0.00 O ATOM 261 CB ASP A 18 -1.668 5.329 11.211 1.00 0.00 C ATOM 262 CG ASP A 18 -1.570 5.599 12.700 1.00 0.00 C ATOM 263 OD1 ASP A 18 -1.031 4.737 13.426 1.00 0.00 O ATOM 264 OD2 ASP A 18 -2.031 6.673 13.140 1.00 0.00 O ATOM 0 H ASP A 18 -1.435 3.162 8.891 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.502 3.544 11.492 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.997 6.002 10.678 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.679 5.551 10.870 1.00 0.00 H new ATOM 269 N VAL A 19 -2.301 1.671 11.077 1.00 0.00 N ATOM 270 CA VAL A 19 -3.369 0.698 11.299 1.00 0.00 C ATOM 271 C VAL A 19 -4.261 1.105 12.470 1.00 0.00 C ATOM 272 O VAL A 19 -5.450 0.789 12.499 1.00 0.00 O ATOM 273 CB VAL A 19 -2.796 -0.707 11.568 1.00 0.00 C ATOM 274 CG1 VAL A 19 -1.897 -1.146 10.422 1.00 0.00 C ATOM 275 CG2 VAL A 19 -2.039 -0.736 12.888 1.00 0.00 C ATOM 0 H VAL A 19 -1.385 1.256 10.903 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.967 0.674 10.388 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.628 -1.408 11.638 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.502 -2.140 10.630 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.473 -1.171 9.497 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.071 -0.442 10.317 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.643 -1.737 13.058 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.217 -0.022 12.852 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.715 -0.470 13.701 1.00 0.00 H new ATOM 285 N ASN A 20 -3.677 1.816 13.429 1.00 0.00 N ATOM 286 CA ASN A 20 -4.415 2.275 14.599 1.00 0.00 C ATOM 287 C ASN A 20 -5.504 3.265 14.199 1.00 0.00 C ATOM 288 O ASN A 20 -6.666 3.111 14.578 1.00 0.00 O ATOM 289 CB ASN A 20 -3.462 2.925 15.604 1.00 0.00 C ATOM 290 CG ASN A 20 -3.548 2.287 16.977 1.00 0.00 C ATOM 291 OD1 ASN A 20 -2.762 1.402 17.314 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.508 2.735 17.777 1.00 0.00 N ATOM 0 H ASN A 20 -2.694 2.087 13.418 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.888 1.410 15.064 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.440 2.848 15.234 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.692 3.987 15.685 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.616 2.344 18.713 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.138 3.471 17.456 1.00 0.00 H new ATOM 299 N ASN A 21 -5.122 4.279 13.430 1.00 0.00 N ATOM 300 CA ASN A 21 -6.069 5.286 12.963 1.00 0.00 C ATOM 301 C ASN A 21 -6.405 5.076 11.490 1.00 0.00 C ATOM 302 O ASN A 21 -6.839 6.001 10.803 1.00 0.00 O ATOM 303 CB ASN A 21 -5.495 6.689 13.174 1.00 0.00 C ATOM 304 CG ASN A 21 -6.562 7.700 13.549 1.00 0.00 C ATOM 305 OD1 ASN A 21 -6.830 7.928 14.729 1.00 0.00 O ATOM 306 ND2 ASN A 21 -7.176 8.314 12.544 1.00 0.00 N ATOM 0 H ASN A 21 -4.163 4.426 13.116 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.987 5.185 13.543 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.739 6.655 13.958 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.994 7.015 12.262 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.901 9.005 12.735 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.922 8.094 11.581 1.00 0.00 H new ATOM 313 N LEU A 22 -6.197 3.854 11.008 1.00 0.00 N ATOM 314 CA LEU A 22 -6.475 3.515 9.618 1.00 0.00 C ATOM 315 C LEU A 22 -7.757 2.686 9.520 1.00 0.00 C ATOM 316 O LEU A 22 -7.972 1.761 10.303 1.00 0.00 O ATOM 317 CB LEU A 22 -5.265 2.774 9.021 1.00 0.00 C ATOM 318 CG LEU A 22 -5.574 1.693 7.981 1.00 0.00 C ATOM 319 CD1 LEU A 22 -6.087 2.321 6.694 1.00 0.00 C ATOM 320 CD2 LEU A 22 -4.341 0.843 7.710 1.00 0.00 C ATOM 0 H LEU A 22 -5.835 3.079 11.564 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.635 4.425 9.040 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.605 3.511 8.562 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.709 2.313 9.838 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.354 1.045 8.380 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.301 1.538 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.998 2.883 6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.330 2.993 6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.580 0.081 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.538 1.476 7.333 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.020 0.362 8.634 1.00 0.00 H new ATOM 332 N ASP A 23 -8.613 3.040 8.566 1.00 0.00 N ATOM 333 CA ASP A 23 -9.881 2.344 8.373 1.00 0.00 C ATOM 334 C ASP A 23 -9.665 0.843 8.211 1.00 0.00 C ATOM 335 O ASP A 23 -8.657 0.408 7.653 1.00 0.00 O ATOM 336 CB ASP A 23 -10.608 2.900 7.146 1.00 0.00 C ATOM 337 CG ASP A 23 -12.036 3.308 7.454 1.00 0.00 C ATOM 338 OD1 ASP A 23 -12.225 4.286 8.207 1.00 0.00 O ATOM 339 OD2 ASP A 23 -12.965 2.649 6.941 1.00 0.00 O ATOM 0 H ASP A 23 -8.451 3.807 7.913 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.493 2.509 9.260 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.062 3.762 6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.610 2.148 6.357 1.00 0.00 H new ATOM 344 N PRO A 24 -10.616 0.025 8.696 1.00 0.00 N ATOM 345 CA PRO A 24 -10.527 -1.436 8.597 1.00 0.00 C ATOM 346 C PRO A 24 -10.683 -1.922 7.161 1.00 0.00 C ATOM 347 O PRO A 24 -10.049 -2.895 6.752 1.00 0.00 O ATOM 348 CB PRO A 24 -11.690 -1.926 9.460 1.00 0.00 C ATOM 349 CG PRO A 24 -12.670 -0.804 9.442 1.00 0.00 C ATOM 350 CD PRO A 24 -11.853 0.457 9.375 1.00 0.00 C ATOM 0 HA PRO A 24 -9.557 -1.810 8.923 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.126 -2.840 9.056 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.363 -2.151 10.475 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -13.338 -0.883 8.584 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.295 -0.817 10.335 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.366 1.240 8.816 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.648 0.857 10.368 1.00 0.00 H new ATOM 358 N ASP A 25 -11.525 -1.232 6.397 1.00 0.00 N ATOM 359 CA ASP A 25 -11.754 -1.587 5.001 1.00 0.00 C ATOM 360 C ASP A 25 -10.430 -1.737 4.261 1.00 0.00 C ATOM 361 O ASP A 25 -10.200 -2.732 3.574 1.00 0.00 O ATOM 362 CB ASP A 25 -12.617 -0.525 4.316 1.00 0.00 C ATOM 363 CG ASP A 25 -14.096 -0.849 4.381 1.00 0.00 C ATOM 364 OD1 ASP A 25 -14.488 -1.930 3.893 1.00 0.00 O ATOM 365 OD2 ASP A 25 -14.862 -0.023 4.920 1.00 0.00 O ATOM 0 H ASP A 25 -12.059 -0.425 6.721 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.279 -2.542 4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.439 0.442 4.787 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.314 -0.433 3.273 1.00 0.00 H new ATOM 370 N LEU A 26 -9.556 -0.746 4.416 1.00 0.00 N ATOM 371 CA LEU A 26 -8.247 -0.779 3.781 1.00 0.00 C ATOM 372 C LEU A 26 -7.330 -1.760 4.506 1.00 0.00 C ATOM 373 O LEU A 26 -6.442 -2.361 3.901 1.00 0.00 O ATOM 374 CB LEU A 26 -7.622 0.619 3.775 1.00 0.00 C ATOM 375 CG LEU A 26 -7.233 1.146 2.392 1.00 0.00 C ATOM 376 CD1 LEU A 26 -6.215 0.223 1.738 1.00 0.00 C ATOM 377 CD2 LEU A 26 -8.466 1.291 1.512 1.00 0.00 C ATOM 0 H LEU A 26 -9.733 0.088 4.976 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.371 -1.111 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.325 1.317 4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.733 0.606 4.406 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.778 2.129 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.949 0.612 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.322 0.168 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.644 -0.773 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.172 1.667 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.948 0.320 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.163 1.990 1.974 1.00 0.00 H new ATOM 389 N ARG A 27 -7.560 -1.922 5.807 1.00 0.00 N ATOM 390 CA ARG A 27 -6.770 -2.842 6.616 1.00 0.00 C ATOM 391 C ARG A 27 -6.859 -4.257 6.054 1.00 0.00 C ATOM 392 O ARG A 27 -5.847 -4.944 5.913 1.00 0.00 O ATOM 393 CB ARG A 27 -7.256 -2.825 8.067 1.00 0.00 C ATOM 394 CG ARG A 27 -6.151 -3.065 9.083 1.00 0.00 C ATOM 395 CD ARG A 27 -6.617 -2.754 10.496 1.00 0.00 C ATOM 396 NE ARG A 27 -7.450 -3.819 11.047 1.00 0.00 N ATOM 397 CZ ARG A 27 -7.807 -3.887 12.325 1.00 0.00 C ATOM 398 NH1 ARG A 27 -7.403 -2.956 13.179 1.00 0.00 N ATOM 399 NH2 ARG A 27 -8.567 -4.886 12.751 1.00 0.00 N ATOM 0 H ARG A 27 -8.288 -1.427 6.322 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.730 -2.518 6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.724 -1.863 8.273 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.025 -3.587 8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.823 -4.103 9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.289 -2.445 8.838 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.749 -2.604 11.139 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.178 -1.820 10.495 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.776 -4.551 10.416 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.817 -2.186 12.855 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.678 -3.010 14.160 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.879 -5.604 12.097 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.840 -4.936 13.732 1.00 0.00 H new ATOM 413 N SER A 28 -8.076 -4.682 5.731 1.00 0.00 N ATOM 414 CA SER A 28 -8.295 -6.006 5.165 1.00 0.00 C ATOM 415 C SER A 28 -7.738 -6.080 3.748 1.00 0.00 C ATOM 416 O SER A 28 -7.365 -7.152 3.269 1.00 0.00 O ATOM 417 CB SER A 28 -9.789 -6.343 5.157 1.00 0.00 C ATOM 418 OG SER A 28 -10.322 -6.330 6.469 1.00 0.00 O ATOM 0 H SER A 28 -8.924 -4.129 5.852 1.00 0.00 H new ATOM 0 HA SER A 28 -7.773 -6.734 5.786 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.324 -5.624 4.537 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.941 -7.325 4.709 1.00 0.00 H new ATOM 0 HG SER A 28 -11.277 -6.546 6.436 1.00 0.00 H new ATOM 424 N LEU A 29 -7.680 -4.929 3.082 1.00 0.00 N ATOM 425 CA LEU A 29 -7.149 -4.853 1.728 1.00 0.00 C ATOM 426 C LEU A 29 -5.640 -5.079 1.727 1.00 0.00 C ATOM 427 O LEU A 29 -5.062 -5.477 0.715 1.00 0.00 O ATOM 428 CB LEU A 29 -7.480 -3.490 1.108 1.00 0.00 C ATOM 429 CG LEU A 29 -7.370 -3.412 -0.419 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.935 -4.668 -1.069 1.00 0.00 C ATOM 431 CD2 LEU A 29 -8.087 -2.176 -0.940 1.00 0.00 C ATOM 0 H LEU A 29 -7.995 -4.036 3.461 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.614 -5.637 1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.495 -3.217 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.815 -2.743 1.541 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.314 -3.339 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.846 -4.589 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.379 -5.539 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.985 -4.777 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.000 -2.135 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.140 -2.222 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.636 -1.284 -0.506 1.00 0.00 H new ATOM 443 N PHE A 30 -5.009 -4.832 2.873 1.00 0.00 N ATOM 444 CA PHE A 30 -3.569 -5.013 3.009 1.00 0.00 C ATOM 445 C PHE A 30 -3.236 -6.432 3.457 1.00 0.00 C ATOM 446 O PHE A 30 -2.590 -7.188 2.730 1.00 0.00 O ATOM 447 CB PHE A 30 -3.007 -4.008 4.016 1.00 0.00 C ATOM 448 CG PHE A 30 -2.678 -2.673 3.414 1.00 0.00 C ATOM 449 CD1 PHE A 30 -1.934 -2.590 2.249 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.106 -1.502 4.017 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.627 -1.363 1.693 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.800 -0.272 3.467 1.00 0.00 C ATOM 453 CZ PHE A 30 -2.059 -0.203 2.303 1.00 0.00 C ATOM 0 H PHE A 30 -5.474 -4.506 3.720 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.112 -4.843 2.034 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.731 -3.867 4.818 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.107 -4.425 4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.590 -3.495 1.770 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.685 -1.551 4.927 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.049 -1.312 0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.140 0.634 3.946 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.818 0.757 1.871 1.00 0.00 H new ATOM 463 N SER A 31 -3.679 -6.789 4.660 1.00 0.00 N ATOM 464 CA SER A 31 -3.424 -8.118 5.209 1.00 0.00 C ATOM 465 C SER A 31 -3.759 -9.205 4.194 1.00 0.00 C ATOM 466 O SER A 31 -3.094 -10.239 4.135 1.00 0.00 O ATOM 467 CB SER A 31 -4.241 -8.328 6.486 1.00 0.00 C ATOM 468 OG SER A 31 -3.943 -7.336 7.453 1.00 0.00 O ATOM 0 H SER A 31 -4.216 -6.176 5.273 1.00 0.00 H new ATOM 0 HA SER A 31 -2.362 -8.186 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.305 -8.301 6.249 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.031 -9.315 6.897 1.00 0.00 H new ATOM 0 HG SER A 31 -4.480 -7.492 8.258 1.00 0.00 H new ATOM 474 N ARG A 32 -4.792 -8.964 3.395 1.00 0.00 N ATOM 475 CA ARG A 32 -5.213 -9.921 2.379 1.00 0.00 C ATOM 476 C ARG A 32 -4.166 -10.042 1.279 1.00 0.00 C ATOM 477 O ARG A 32 -4.038 -11.086 0.641 1.00 0.00 O ATOM 478 CB ARG A 32 -6.554 -9.498 1.777 1.00 0.00 C ATOM 479 CG ARG A 32 -7.755 -9.913 2.610 1.00 0.00 C ATOM 480 CD ARG A 32 -9.061 -9.586 1.907 1.00 0.00 C ATOM 481 NE ARG A 32 -9.448 -10.627 0.960 1.00 0.00 N ATOM 482 CZ ARG A 32 -9.880 -11.831 1.324 1.00 0.00 C ATOM 483 NH1 ARG A 32 -9.977 -12.140 2.610 1.00 0.00 N ATOM 484 NH2 ARG A 32 -10.213 -12.724 0.404 1.00 0.00 N ATOM 0 H ARG A 32 -5.354 -8.113 3.431 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.326 -10.894 2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.563 -8.415 1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.647 -9.930 0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.707 -10.983 2.811 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.723 -9.406 3.574 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.850 -9.459 2.648 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.962 -8.636 1.381 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.384 -10.420 -0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.720 -11.454 3.320 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.308 -13.063 2.889 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.138 -12.489 -0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.544 -13.647 0.685 1.00 0.00 H new ATOM 498 N ALA A 33 -3.417 -8.965 1.061 1.00 0.00 N ATOM 499 CA ALA A 33 -2.379 -8.951 0.037 1.00 0.00 C ATOM 500 C ALA A 33 -1.114 -9.649 0.528 1.00 0.00 C ATOM 501 O ALA A 33 -0.304 -10.117 -0.270 1.00 0.00 O ATOM 502 CB ALA A 33 -2.070 -7.522 -0.382 1.00 0.00 C ATOM 0 H ALA A 33 -3.510 -8.092 1.580 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.750 -9.498 -0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.293 -7.527 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.971 -7.057 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.724 -6.956 0.483 1.00 0.00 H new ATOM 508 N GLY A 34 -0.953 -9.718 1.847 1.00 0.00 N ATOM 509 CA GLY A 34 0.216 -10.364 2.417 1.00 0.00 C ATOM 510 C GLY A 34 1.174 -9.374 3.049 1.00 0.00 C ATOM 511 O GLY A 34 2.390 -9.564 3.007 1.00 0.00 O ATOM 0 H GLY A 34 -1.610 -9.339 2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.102 -11.087 3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.736 -10.921 1.638 1.00 0.00 H new ATOM 515 N ILE A 35 0.627 -8.317 3.639 1.00 0.00 N ATOM 516 CA ILE A 35 1.440 -7.293 4.285 1.00 0.00 C ATOM 517 C ILE A 35 1.155 -7.230 5.782 1.00 0.00 C ATOM 518 O ILE A 35 0.012 -7.380 6.212 1.00 0.00 O ATOM 519 CB ILE A 35 1.193 -5.906 3.663 1.00 0.00 C ATOM 520 CG1 ILE A 35 1.479 -5.941 2.159 1.00 0.00 C ATOM 521 CG2 ILE A 35 2.053 -4.852 4.344 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.859 -4.790 1.401 1.00 0.00 C ATOM 0 H ILE A 35 -0.378 -8.147 3.683 1.00 0.00 H new ATOM 0 HA ILE A 35 2.483 -7.569 4.130 1.00 0.00 H new ATOM 0 HB ILE A 35 0.146 -5.641 3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.558 -5.930 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.106 -6.879 1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.864 -3.879 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.807 -4.811 5.405 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.106 -5.109 4.225 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.102 -4.879 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.223 -4.812 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.250 -3.848 1.786 1.00 0.00 H new ATOM 534 N SER A 36 2.202 -7.006 6.569 1.00 0.00 N ATOM 535 CA SER A 36 2.065 -6.925 8.018 1.00 0.00 C ATOM 536 C SER A 36 2.290 -5.498 8.508 1.00 0.00 C ATOM 537 O SER A 36 2.570 -4.595 7.719 1.00 0.00 O ATOM 538 CB SER A 36 3.055 -7.872 8.698 1.00 0.00 C ATOM 539 OG SER A 36 4.000 -8.374 7.769 1.00 0.00 O ATOM 0 H SER A 36 3.154 -6.877 6.227 1.00 0.00 H new ATOM 0 HA SER A 36 1.049 -7.223 8.279 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.573 -7.347 9.501 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.515 -8.701 9.156 1.00 0.00 H new ATOM 0 HG SER A 36 4.627 -7.662 7.523 1.00 0.00 H new ATOM 545 N GLU A 37 2.164 -5.301 9.817 1.00 0.00 N ATOM 546 CA GLU A 37 2.354 -3.985 10.415 1.00 0.00 C ATOM 547 C GLU A 37 3.768 -3.474 10.165 1.00 0.00 C ATOM 548 O GLU A 37 3.977 -2.284 9.928 1.00 0.00 O ATOM 549 CB GLU A 37 2.078 -4.044 11.918 1.00 0.00 C ATOM 550 CG GLU A 37 0.683 -3.578 12.302 1.00 0.00 C ATOM 551 CD GLU A 37 0.024 -4.488 13.319 1.00 0.00 C ATOM 552 OE1 GLU A 37 0.254 -4.289 14.531 1.00 0.00 O ATOM 553 OE2 GLU A 37 -0.722 -5.399 12.904 1.00 0.00 O ATOM 0 H GLU A 37 1.931 -6.037 10.484 1.00 0.00 H new ATOM 0 HA GLU A 37 1.651 -3.294 9.949 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.217 -5.068 12.264 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.813 -3.429 12.438 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.740 -2.568 12.707 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.062 -3.528 11.408 1.00 0.00 H new ATOM 560 N ALA A 38 4.737 -4.382 10.222 1.00 0.00 N ATOM 561 CA ALA A 38 6.134 -4.025 10.004 1.00 0.00 C ATOM 562 C ALA A 38 6.313 -3.294 8.677 1.00 0.00 C ATOM 563 O ALA A 38 6.938 -2.235 8.620 1.00 0.00 O ATOM 564 CB ALA A 38 7.009 -5.268 10.047 1.00 0.00 C ATOM 0 H ALA A 38 4.580 -5.371 10.417 1.00 0.00 H new ATOM 0 HA ALA A 38 6.441 -3.351 10.804 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.049 -4.987 9.883 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.912 -5.748 11.021 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.694 -5.962 9.268 1.00 0.00 H new ATOM 570 N GLN A 39 5.763 -3.868 7.613 1.00 0.00 N ATOM 571 CA GLN A 39 5.863 -3.273 6.286 1.00 0.00 C ATOM 572 C GLN A 39 5.120 -1.943 6.228 1.00 0.00 C ATOM 573 O GLN A 39 5.459 -1.066 5.433 1.00 0.00 O ATOM 574 CB GLN A 39 5.300 -4.230 5.233 1.00 0.00 C ATOM 575 CG GLN A 39 6.351 -5.136 4.612 1.00 0.00 C ATOM 576 CD GLN A 39 6.434 -6.486 5.298 1.00 0.00 C ATOM 577 OE1 GLN A 39 6.457 -6.570 6.526 1.00 0.00 O ATOM 578 NE2 GLN A 39 6.479 -7.550 4.506 1.00 0.00 N ATOM 0 H GLN A 39 5.243 -4.745 7.644 1.00 0.00 H new ATOM 0 HA GLN A 39 6.917 -3.089 6.076 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.526 -4.846 5.690 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.821 -3.649 4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.122 -5.282 3.556 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.324 -4.646 4.662 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.457 -7.433 3.493 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.535 -8.485 4.910 1.00 0.00 H new ATOM 587 N LEU A 40 4.107 -1.799 7.074 1.00 0.00 N ATOM 588 CA LEU A 40 3.314 -0.577 7.116 1.00 0.00 C ATOM 589 C LEU A 40 4.002 0.495 7.955 1.00 0.00 C ATOM 590 O LEU A 40 4.054 1.662 7.567 1.00 0.00 O ATOM 591 CB LEU A 40 1.922 -0.867 7.679 1.00 0.00 C ATOM 592 CG LEU A 40 1.131 -1.941 6.931 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.033 -2.434 7.779 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.633 -1.406 5.598 1.00 0.00 C ATOM 0 H LEU A 40 3.815 -2.514 7.740 1.00 0.00 H new ATOM 0 HA LEU A 40 3.217 -0.204 6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.025 -1.172 8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.345 0.058 7.673 1.00 0.00 H new ATOM 0 HG LEU A 40 1.794 -2.784 6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.585 -3.198 7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.348 -2.858 8.708 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.697 -1.600 8.006 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.072 -2.184 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.014 -0.546 5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.483 -1.104 4.987 1.00 0.00 H new ATOM 606 N THR A 41 4.525 0.092 9.108 1.00 0.00 N ATOM 607 CA THR A 41 5.205 1.020 10.005 1.00 0.00 C ATOM 608 C THR A 41 6.461 1.589 9.356 1.00 0.00 C ATOM 609 O THR A 41 6.912 2.680 9.704 1.00 0.00 O ATOM 610 CB THR A 41 5.567 0.320 11.317 1.00 0.00 C ATOM 611 OG1 THR A 41 6.355 -0.831 11.069 1.00 0.00 O ATOM 612 CG2 THR A 41 4.358 -0.113 12.117 1.00 0.00 C ATOM 0 H THR A 41 4.491 -0.871 9.444 1.00 0.00 H new ATOM 0 HA THR A 41 4.524 1.845 10.215 1.00 0.00 H new ATOM 0 HB THR A 41 6.119 1.059 11.897 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.454 -0.957 10.102 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.685 -0.602 13.035 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.755 0.760 12.366 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.762 -0.809 11.527 1.00 0.00 H new ATOM 620 N ASP A 42 7.022 0.844 8.409 1.00 0.00 N ATOM 621 CA ASP A 42 8.228 1.277 7.713 1.00 0.00 C ATOM 622 C ASP A 42 7.909 2.366 6.693 1.00 0.00 C ATOM 623 O ASP A 42 7.144 2.145 5.754 1.00 0.00 O ATOM 624 CB ASP A 42 8.891 0.088 7.015 1.00 0.00 C ATOM 625 CG ASP A 42 10.402 0.210 6.977 1.00 0.00 C ATOM 626 OD1 ASP A 42 10.966 0.897 7.854 1.00 0.00 O ATOM 627 OD2 ASP A 42 11.022 -0.381 6.068 1.00 0.00 O ATOM 0 H ASP A 42 6.661 -0.061 8.106 1.00 0.00 H new ATOM 0 HA ASP A 42 8.916 1.688 8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.616 -0.832 7.531 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.510 0.009 5.997 1.00 0.00 H new ATOM 632 N ALA A 43 8.501 3.541 6.884 1.00 0.00 N ATOM 633 CA ALA A 43 8.280 4.664 5.980 1.00 0.00 C ATOM 634 C ALA A 43 8.792 4.350 4.579 1.00 0.00 C ATOM 635 O ALA A 43 8.167 4.714 3.583 1.00 0.00 O ATOM 636 CB ALA A 43 8.954 5.915 6.521 1.00 0.00 C ATOM 0 H ALA A 43 9.137 3.740 7.656 1.00 0.00 H new ATOM 0 HA ALA A 43 7.206 4.841 5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.782 6.746 5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.539 6.158 7.499 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.026 5.739 6.615 1.00 0.00 H new ATOM 642 N GLU A 44 9.931 3.671 4.509 1.00 0.00 N ATOM 643 CA GLU A 44 10.529 3.310 3.229 1.00 0.00 C ATOM 644 C GLU A 44 9.553 2.504 2.379 1.00 0.00 C ATOM 645 O GLU A 44 9.465 2.698 1.166 1.00 0.00 O ATOM 646 CB GLU A 44 11.810 2.506 3.451 1.00 0.00 C ATOM 647 CG GLU A 44 13.074 3.264 3.083 1.00 0.00 C ATOM 648 CD GLU A 44 14.144 3.168 4.152 1.00 0.00 C ATOM 649 OE1 GLU A 44 14.444 2.039 4.593 1.00 0.00 O ATOM 650 OE2 GLU A 44 14.681 4.223 4.551 1.00 0.00 O ATOM 0 H GLU A 44 10.459 3.359 5.324 1.00 0.00 H new ATOM 0 HA GLU A 44 10.771 4.231 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.866 2.209 4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.761 1.590 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.467 2.873 2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.828 4.312 2.914 1.00 0.00 H new ATOM 657 N THR A 45 8.827 1.596 3.021 1.00 0.00 N ATOM 658 CA THR A 45 7.862 0.758 2.321 1.00 0.00 C ATOM 659 C THR A 45 6.511 1.457 2.207 1.00 0.00 C ATOM 660 O THR A 45 5.773 1.248 1.246 1.00 0.00 O ATOM 661 CB THR A 45 7.700 -0.580 3.048 1.00 0.00 C ATOM 662 OG1 THR A 45 8.954 -1.225 3.192 1.00 0.00 O ATOM 663 CG2 THR A 45 6.767 -1.540 2.341 1.00 0.00 C ATOM 0 H THR A 45 8.888 1.422 4.024 1.00 0.00 H new ATOM 0 HA THR A 45 8.238 0.576 1.314 1.00 0.00 H new ATOM 0 HB THR A 45 7.268 -0.331 4.017 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.832 -2.077 3.660 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.699 -2.467 2.911 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.777 -1.091 2.258 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.152 -1.754 1.344 1.00 0.00 H new ATOM 671 N SER A 46 6.196 2.295 3.190 1.00 0.00 N ATOM 672 CA SER A 46 4.928 3.018 3.200 1.00 0.00 C ATOM 673 C SER A 46 4.675 3.709 1.865 1.00 0.00 C ATOM 674 O SER A 46 3.682 3.434 1.192 1.00 0.00 O ATOM 675 CB SER A 46 4.919 4.050 4.329 1.00 0.00 C ATOM 676 OG SER A 46 5.575 5.243 3.932 1.00 0.00 O ATOM 0 H SER A 46 6.800 2.490 3.989 1.00 0.00 H new ATOM 0 HA SER A 46 4.130 2.294 3.365 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.891 4.274 4.614 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.411 3.636 5.209 1.00 0.00 H new ATOM 0 HG SER A 46 6.543 5.092 3.909 1.00 0.00 H new ATOM 682 N LYS A 47 5.582 4.603 1.482 1.00 0.00 N ATOM 683 CA LYS A 47 5.453 5.334 0.226 1.00 0.00 C ATOM 684 C LYS A 47 5.546 4.389 -0.966 1.00 0.00 C ATOM 685 O LYS A 47 4.947 4.632 -2.013 1.00 0.00 O ATOM 686 CB LYS A 47 6.529 6.411 0.126 1.00 0.00 C ATOM 687 CG LYS A 47 7.915 5.841 -0.078 1.00 0.00 C ATOM 688 CD LYS A 47 8.997 6.831 0.321 1.00 0.00 C ATOM 689 CE LYS A 47 8.872 8.133 -0.454 1.00 0.00 C ATOM 690 NZ LYS A 47 10.160 8.879 -0.496 1.00 0.00 N ATOM 0 H LYS A 47 6.414 4.838 2.023 1.00 0.00 H new ATOM 0 HA LYS A 47 4.473 5.810 0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.291 7.079 -0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.519 7.013 1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.023 4.929 0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.044 5.564 -1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.930 7.034 1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.978 6.392 0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.542 7.920 -1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.106 8.757 0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.033 9.760 -1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.462 9.105 0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.885 8.294 -0.957 1.00 0.00 H new ATOM 704 N LEU A 48 6.302 3.311 -0.799 1.00 0.00 N ATOM 705 CA LEU A 48 6.464 2.324 -1.857 1.00 0.00 C ATOM 706 C LEU A 48 5.140 1.627 -2.144 1.00 0.00 C ATOM 707 O LEU A 48 4.847 1.271 -3.284 1.00 0.00 O ATOM 708 CB LEU A 48 7.525 1.294 -1.461 1.00 0.00 C ATOM 709 CG LEU A 48 7.703 0.132 -2.441 1.00 0.00 C ATOM 710 CD1 LEU A 48 6.602 -0.900 -2.251 1.00 0.00 C ATOM 711 CD2 LEU A 48 7.725 0.638 -3.875 1.00 0.00 C ATOM 0 H LEU A 48 6.812 3.099 0.059 1.00 0.00 H new ATOM 0 HA LEU A 48 6.790 2.837 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.481 1.805 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.267 0.887 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 48 8.660 -0.347 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.745 -1.719 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.638 -1.288 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.632 -0.434 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.852 -0.204 -4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.786 1.145 -4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.553 1.336 -4.002 1.00 0.00 H new ATOM 723 N ILE A 49 4.345 1.437 -1.096 1.00 0.00 N ATOM 724 CA ILE A 49 3.051 0.784 -1.229 1.00 0.00 C ATOM 725 C ILE A 49 1.952 1.788 -1.554 1.00 0.00 C ATOM 726 O ILE A 49 0.891 1.414 -2.054 1.00 0.00 O ATOM 727 CB ILE A 49 2.664 0.028 0.056 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.765 -0.958 0.450 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.340 -0.697 -0.135 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.606 -1.514 1.848 1.00 0.00 C ATOM 0 H ILE A 49 4.576 1.727 -0.146 1.00 0.00 H new ATOM 0 HA ILE A 49 3.147 0.073 -2.050 1.00 0.00 H new ATOM 0 HB ILE A 49 2.548 0.752 0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.774 -1.783 -0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.732 -0.460 0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.080 -1.227 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.560 0.027 -0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.431 -1.411 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.421 -2.206 2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.627 -0.697 2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.655 -2.041 1.924 1.00 0.00 H new ATOM 742 N TYR A 50 2.194 3.063 -1.253 1.00 0.00 N ATOM 743 CA TYR A 50 1.188 4.090 -1.491 1.00 0.00 C ATOM 744 C TYR A 50 0.801 4.139 -2.968 1.00 0.00 C ATOM 745 O TYR A 50 -0.286 4.597 -3.317 1.00 0.00 O ATOM 746 CB TYR A 50 1.652 5.467 -0.941 1.00 0.00 C ATOM 747 CG TYR A 50 1.727 6.598 -1.956 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.684 6.589 -2.961 1.00 0.00 C ATOM 749 CD2 TYR A 50 0.836 7.667 -1.906 1.00 0.00 C ATOM 750 CE1 TYR A 50 2.757 7.612 -3.888 1.00 0.00 C ATOM 751 CE2 TYR A 50 0.904 8.693 -2.830 1.00 0.00 C ATOM 752 CZ TYR A 50 1.866 8.661 -3.817 1.00 0.00 C ATOM 753 OH TYR A 50 1.935 9.681 -4.738 1.00 0.00 O ATOM 0 H TYR A 50 3.066 3.404 -0.849 1.00 0.00 H new ATOM 0 HA TYR A 50 0.285 3.828 -0.939 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.972 5.765 -0.143 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.637 5.343 -0.491 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.384 5.769 -3.020 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.081 7.695 -1.134 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.508 7.589 -4.664 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.207 9.516 -2.779 1.00 0.00 H new ATOM 0 HH TYR A 50 1.389 9.454 -5.519 1.00 0.00 H new ATOM 763 N ASP A 51 1.668 3.615 -3.825 1.00 0.00 N ATOM 764 CA ASP A 51 1.370 3.551 -5.246 1.00 0.00 C ATOM 765 C ASP A 51 0.087 2.753 -5.492 1.00 0.00 C ATOM 766 O ASP A 51 -0.524 2.860 -6.556 1.00 0.00 O ATOM 767 CB ASP A 51 2.535 2.915 -6.006 1.00 0.00 C ATOM 768 CG ASP A 51 2.829 1.503 -5.539 1.00 0.00 C ATOM 769 OD1 ASP A 51 2.214 1.067 -4.544 1.00 0.00 O ATOM 770 OD2 ASP A 51 3.675 0.834 -6.168 1.00 0.00 O ATOM 0 H ASP A 51 2.576 3.231 -3.562 1.00 0.00 H new ATOM 0 HA ASP A 51 1.224 4.568 -5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.306 2.902 -7.072 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.426 3.529 -5.879 1.00 0.00 H new ATOM 775 N PHE A 52 -0.326 1.964 -4.496 1.00 0.00 N ATOM 776 CA PHE A 52 -1.522 1.138 -4.621 1.00 0.00 C ATOM 777 C PHE A 52 -2.790 1.904 -4.239 1.00 0.00 C ATOM 778 O PHE A 52 -3.688 2.069 -5.066 1.00 0.00 O ATOM 779 CB PHE A 52 -1.392 -0.113 -3.752 1.00 0.00 C ATOM 780 CG PHE A 52 -2.575 -1.031 -3.848 1.00 0.00 C ATOM 781 CD1 PHE A 52 -2.862 -1.693 -5.032 1.00 0.00 C ATOM 782 CD2 PHE A 52 -3.407 -1.228 -2.757 1.00 0.00 C ATOM 783 CE1 PHE A 52 -3.953 -2.536 -5.124 1.00 0.00 C ATOM 784 CE2 PHE A 52 -4.498 -2.069 -2.843 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.773 -2.724 -4.029 1.00 0.00 C ATOM 0 H PHE A 52 0.151 1.882 -3.598 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.610 0.850 -5.669 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.494 -0.658 -4.044 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.258 0.188 -2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.225 -1.548 -5.892 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.199 -0.717 -1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.164 -3.047 -6.052 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.136 -2.215 -1.984 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.627 -3.381 -4.099 1.00 0.00 H new ATOM 795 N ILE A 53 -2.880 2.357 -2.985 1.00 0.00 N ATOM 796 CA ILE A 53 -4.063 3.099 -2.543 1.00 0.00 C ATOM 797 C ILE A 53 -4.192 4.420 -3.302 1.00 0.00 C ATOM 798 O ILE A 53 -5.267 5.021 -3.337 1.00 0.00 O ATOM 799 CB ILE A 53 -4.148 3.315 -1.003 1.00 0.00 C ATOM 800 CG1 ILE A 53 -3.720 2.050 -0.255 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.571 3.688 -0.620 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.621 2.250 1.239 1.00 0.00 C ATOM 0 H ILE A 53 -2.163 2.226 -2.271 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.916 2.466 -2.786 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.472 4.123 -0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.434 1.253 -0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.754 1.719 -0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.630 3.839 0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.856 4.607 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.249 2.885 -0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.314 1.317 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.886 3.025 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.592 2.552 1.631 1.00 0.00 H new ATOM 814 N GLU A 54 -3.101 4.858 -3.931 1.00 0.00 N ATOM 815 CA GLU A 54 -3.109 6.094 -4.706 1.00 0.00 C ATOM 816 C GLU A 54 -3.651 5.851 -6.112 1.00 0.00 C ATOM 817 O GLU A 54 -4.243 6.740 -6.723 1.00 0.00 O ATOM 818 CB GLU A 54 -1.696 6.679 -4.794 1.00 0.00 C ATOM 819 CG GLU A 54 -1.631 7.998 -5.546 1.00 0.00 C ATOM 820 CD GLU A 54 -0.803 7.906 -6.813 1.00 0.00 C ATOM 821 OE1 GLU A 54 -1.142 7.077 -7.684 1.00 0.00 O ATOM 822 OE2 GLU A 54 0.183 8.661 -6.934 1.00 0.00 O ATOM 0 H GLU A 54 -2.203 4.374 -3.918 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.761 6.804 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.309 6.825 -3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.043 5.958 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.642 8.318 -5.799 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.208 8.763 -4.895 1.00 0.00 H new ATOM 829 N ASP A 55 -3.436 4.642 -6.621 1.00 0.00 N ATOM 830 CA ASP A 55 -3.884 4.283 -7.961 1.00 0.00 C ATOM 831 C ASP A 55 -5.371 3.945 -7.978 1.00 0.00 C ATOM 832 O ASP A 55 -6.095 4.334 -8.894 1.00 0.00 O ATOM 833 CB ASP A 55 -3.080 3.092 -8.485 1.00 0.00 C ATOM 834 CG ASP A 55 -3.443 2.734 -9.913 1.00 0.00 C ATOM 835 OD1 ASP A 55 -3.868 3.639 -10.661 1.00 0.00 O ATOM 836 OD2 ASP A 55 -3.306 1.548 -10.280 1.00 0.00 O ATOM 0 H ASP A 55 -2.953 3.893 -6.124 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.721 5.145 -8.608 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.016 3.323 -8.430 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.253 2.229 -7.842 1.00 0.00 H new ATOM 841 N GLN A 56 -5.824 3.220 -6.959 1.00 0.00 N ATOM 842 CA GLN A 56 -7.224 2.826 -6.870 1.00 0.00 C ATOM 843 C GLN A 56 -8.140 4.043 -6.943 1.00 0.00 C ATOM 844 O GLN A 56 -9.315 3.927 -7.290 1.00 0.00 O ATOM 845 CB GLN A 56 -7.479 2.065 -5.567 1.00 0.00 C ATOM 846 CG GLN A 56 -7.274 0.563 -5.688 1.00 0.00 C ATOM 847 CD GLN A 56 -5.813 0.165 -5.630 1.00 0.00 C ATOM 848 OE1 GLN A 56 -5.204 0.143 -4.560 1.00 0.00 O ATOM 849 NE2 GLN A 56 -5.240 -0.152 -6.786 1.00 0.00 N ATOM 0 H GLN A 56 -5.243 2.895 -6.186 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.445 2.175 -7.716 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.815 2.453 -4.794 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -8.500 2.258 -5.237 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.815 0.061 -4.886 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.704 0.216 -6.628 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.782 -0.120 -7.649 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.258 -0.427 -6.810 1.00 0.00 H new ATOM 858 N GLY A 57 -7.593 5.211 -6.623 1.00 0.00 N ATOM 859 CA GLY A 57 -8.377 6.430 -6.656 1.00 0.00 C ATOM 860 C GLY A 57 -8.544 7.043 -5.281 1.00 0.00 C ATOM 861 O GLY A 57 -8.806 8.238 -5.153 1.00 0.00 O ATOM 0 H GLY A 57 -6.620 5.334 -6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.896 7.151 -7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.359 6.217 -7.078 1.00 0.00 H new ATOM 865 N GLY A 58 -8.384 6.220 -4.249 1.00 0.00 N ATOM 866 CA GLY A 58 -8.515 6.704 -2.888 1.00 0.00 C ATOM 867 C GLY A 58 -8.913 5.609 -1.918 1.00 0.00 C ATOM 868 O GLY A 58 -9.789 4.799 -2.209 1.00 0.00 O ATOM 0 H GLY A 58 -8.166 5.227 -4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.569 7.141 -2.569 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.260 7.499 -2.859 1.00 0.00 H new ATOM 872 N LEU A 59 -8.263 5.592 -0.762 1.00 0.00 N ATOM 873 CA LEU A 59 -8.532 4.595 0.268 1.00 0.00 C ATOM 874 C LEU A 59 -10.014 4.574 0.637 1.00 0.00 C ATOM 875 O LEU A 59 -10.669 3.535 0.555 1.00 0.00 O ATOM 876 CB LEU A 59 -7.678 4.936 1.490 1.00 0.00 C ATOM 877 CG LEU A 59 -8.225 4.514 2.856 1.00 0.00 C ATOM 878 CD1 LEU A 59 -7.086 4.246 3.825 1.00 0.00 C ATOM 879 CD2 LEU A 59 -9.148 5.594 3.399 1.00 0.00 C ATOM 0 H LEU A 59 -7.538 6.265 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.279 3.602 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.699 4.475 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.523 6.015 1.505 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.795 3.592 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.493 3.947 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.456 3.447 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.491 5.151 3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.534 5.288 4.371 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.594 6.526 3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.979 5.743 2.709 1.00 0.00 H new ATOM 891 N GLU A 60 -10.542 5.732 1.016 1.00 0.00 N ATOM 892 CA GLU A 60 -11.956 5.849 1.340 1.00 0.00 C ATOM 893 C GLU A 60 -12.761 5.719 0.060 1.00 0.00 C ATOM 894 O GLU A 60 -13.869 5.181 0.049 1.00 0.00 O ATOM 895 CB GLU A 60 -12.247 7.188 2.022 1.00 0.00 C ATOM 896 CG GLU A 60 -11.883 8.395 1.174 1.00 0.00 C ATOM 897 CD GLU A 60 -11.051 9.411 1.933 1.00 0.00 C ATOM 898 OE1 GLU A 60 -11.116 9.418 3.180 1.00 0.00 O ATOM 899 OE2 GLU A 60 -10.336 10.199 1.280 1.00 0.00 O ATOM 0 H GLU A 60 -10.013 6.600 1.106 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.237 5.057 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.307 7.236 2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.696 7.235 2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.331 8.063 0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.796 8.872 0.817 1.00 0.00 H new ATOM 906 N ALA A 61 -12.153 6.175 -1.026 1.00 0.00 N ATOM 907 CA ALA A 61 -12.739 6.081 -2.346 1.00 0.00 C ATOM 908 C ALA A 61 -12.857 4.619 -2.784 1.00 0.00 C ATOM 909 O ALA A 61 -13.645 4.287 -3.670 1.00 0.00 O ATOM 910 CB ALA A 61 -11.882 6.879 -3.315 1.00 0.00 C ATOM 0 H ALA A 61 -11.236 6.621 -1.011 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.748 6.494 -2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.311 6.818 -4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.848 7.921 -2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.871 6.471 -3.328 1.00 0.00 H new ATOM 916 N VAL A 62 -12.074 3.746 -2.142 1.00 0.00 N ATOM 917 CA VAL A 62 -12.088 2.318 -2.446 1.00 0.00 C ATOM 918 C VAL A 62 -13.232 1.620 -1.710 1.00 0.00 C ATOM 919 O VAL A 62 -13.805 0.652 -2.208 1.00 0.00 O ATOM 920 CB VAL A 62 -10.744 1.655 -2.055 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.803 0.138 -2.195 1.00 0.00 C ATOM 922 CG2 VAL A 62 -9.609 2.225 -2.893 1.00 0.00 C ATOM 0 H VAL A 62 -11.420 4.009 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 62 -12.235 2.211 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.556 1.881 -1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.842 -0.291 -1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.583 -0.257 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.027 -0.124 -3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.671 1.749 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.805 2.035 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.537 3.300 -2.725 1.00 0.00 H new ATOM 932 N ARG A 63 -13.556 2.120 -0.521 1.00 0.00 N ATOM 933 CA ARG A 63 -14.624 1.544 0.290 1.00 0.00 C ATOM 934 C ARG A 63 -15.880 1.309 -0.542 1.00 0.00 C ATOM 935 O ARG A 63 -16.671 0.412 -0.250 1.00 0.00 O ATOM 936 CB ARG A 63 -14.943 2.460 1.473 1.00 0.00 C ATOM 937 CG ARG A 63 -14.351 1.982 2.788 1.00 0.00 C ATOM 938 CD ARG A 63 -13.513 3.064 3.451 1.00 0.00 C ATOM 939 NE ARG A 63 -14.270 4.295 3.656 1.00 0.00 N ATOM 940 CZ ARG A 63 -13.862 5.288 4.439 1.00 0.00 C ATOM 941 NH1 ARG A 63 -12.708 5.193 5.087 1.00 0.00 N ATOM 942 NH2 ARG A 63 -14.605 6.377 4.576 1.00 0.00 N ATOM 0 H ARG A 63 -13.093 2.924 -0.097 1.00 0.00 H new ATOM 0 HA ARG A 63 -14.279 0.581 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.569 3.461 1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.025 2.540 1.579 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.154 1.680 3.460 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.734 1.101 2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.146 2.701 4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.639 3.274 2.834 1.00 0.00 H new ATOM 0 HE ARG A 63 -15.162 4.399 3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.133 4.357 4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.396 5.956 5.688 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.493 6.454 4.080 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.289 7.138 5.178 1.00 0.00 H new ATOM 956 N GLN A 64 -16.059 2.122 -1.577 1.00 0.00 N ATOM 957 CA GLN A 64 -17.217 1.997 -2.455 1.00 0.00 C ATOM 958 C GLN A 64 -16.989 0.912 -3.504 1.00 0.00 C ATOM 959 O GLN A 64 -17.932 0.259 -3.951 1.00 0.00 O ATOM 960 CB GLN A 64 -17.511 3.333 -3.138 1.00 0.00 C ATOM 961 CG GLN A 64 -18.188 4.343 -2.225 1.00 0.00 C ATOM 962 CD GLN A 64 -17.479 5.683 -2.208 1.00 0.00 C ATOM 963 OE1 GLN A 64 -16.182 5.663 -1.922 1.00 0.00 O flip ATOM 964 NE2 GLN A 64 -18.090 6.723 -2.449 1.00 0.00 N flip ATOM 0 H GLN A 64 -15.418 2.874 -1.829 1.00 0.00 H new ATOM 0 HA GLN A 64 -18.076 1.713 -1.847 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -16.577 3.757 -3.507 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -18.146 3.157 -4.006 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -19.219 4.486 -2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -18.225 3.943 -1.212 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -19.087 6.691 -2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -17.600 7.618 -2.434 1.00 0.00 H new ATOM 973 N GLU A 65 -15.730 0.726 -3.890 1.00 0.00 N ATOM 974 CA GLU A 65 -15.377 -0.281 -4.885 1.00 0.00 C ATOM 975 C GLU A 65 -15.440 -1.683 -4.286 1.00 0.00 C ATOM 976 O GLU A 65 -16.044 -2.588 -4.862 1.00 0.00 O ATOM 977 CB GLU A 65 -13.974 -0.013 -5.435 1.00 0.00 C ATOM 978 CG GLU A 65 -13.551 -0.986 -6.524 1.00 0.00 C ATOM 979 CD GLU A 65 -14.113 -0.620 -7.883 1.00 0.00 C ATOM 980 OE1 GLU A 65 -13.915 0.536 -8.316 1.00 0.00 O ATOM 981 OE2 GLU A 65 -14.751 -1.487 -8.515 1.00 0.00 O ATOM 0 H GLU A 65 -14.938 1.259 -3.529 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.099 -0.220 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.936 1.002 -5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.256 -0.063 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.463 -1.012 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.881 -1.990 -6.257 1.00 0.00 H new ATOM 988 N MET A 66 -14.814 -1.853 -3.126 1.00 0.00 N ATOM 989 CA MET A 66 -14.799 -3.143 -2.445 1.00 0.00 C ATOM 990 C MET A 66 -16.207 -3.718 -2.333 1.00 0.00 C ATOM 991 O MET A 66 -16.413 -4.920 -2.503 1.00 0.00 O ATOM 992 CB MET A 66 -14.184 -2.997 -1.051 1.00 0.00 C ATOM 993 CG MET A 66 -12.883 -3.761 -0.876 1.00 0.00 C ATOM 994 SD MET A 66 -12.738 -4.525 0.751 1.00 0.00 S ATOM 995 CE MET A 66 -11.097 -5.231 0.651 1.00 0.00 C ATOM 0 H MET A 66 -14.310 -1.113 -2.637 1.00 0.00 H new ATOM 0 HA MET A 66 -14.193 -3.830 -3.035 1.00 0.00 H new ATOM 0 HB2 MET A 66 -14.005 -1.941 -0.851 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.902 -3.344 -0.308 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.814 -4.533 -1.643 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.044 -3.082 -1.030 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.998 -6.027 1.389 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.937 -5.639 -0.347 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.355 -4.457 0.850 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.914 -7.004 -6.671 1.00 0.00 N ATOM 1182 CA LEU A 81 -8.552 -5.788 -5.936 1.00 0.00 C ATOM 1183 C LEU A 81 -7.279 -5.993 -5.122 1.00 0.00 C ATOM 1184 O LEU A 81 -6.337 -5.206 -5.218 1.00 0.00 O ATOM 1185 CB LEU A 81 -9.691 -5.336 -5.014 1.00 0.00 C ATOM 1186 CG LEU A 81 -9.574 -3.901 -4.500 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -9.338 -2.938 -5.653 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.821 -3.511 -3.721 1.00 0.00 C ATOM 0 HA LEU A 81 -8.371 -5.008 -6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.635 -5.438 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.735 -6.010 -4.159 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.718 -3.844 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.257 -1.922 -5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.415 -3.205 -6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.172 -2.996 -6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.720 -2.487 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.693 -3.584 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.944 -4.182 -2.871 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.258 -7.047 -4.312 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.103 -7.341 -3.474 1.00 0.00 C ATOM 1202 C VAL A 82 -4.984 -7.995 -4.280 1.00 0.00 C ATOM 1203 O VAL A 82 -3.817 -7.944 -3.891 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.486 -8.261 -2.300 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.362 -8.317 -1.277 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -7.781 -7.789 -1.660 1.00 0.00 C ATOM 0 H VAL A 82 -8.027 -7.710 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.747 -6.389 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.643 -9.269 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.651 -8.972 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.459 -8.704 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.170 -7.315 -0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.039 -8.449 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.654 -6.772 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.580 -7.807 -2.401 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.346 -8.604 -5.405 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.355 -9.251 -6.244 1.00 0.00 C ATOM 1218 C GLY A 83 -3.344 -8.272 -6.806 1.00 0.00 C ATOM 1219 O GLY A 83 -2.185 -8.622 -7.026 1.00 0.00 O ATOM 0 H GLY A 83 -6.304 -8.661 -5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.835 -10.013 -5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.857 -9.762 -7.066 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.785 -7.039 -7.037 1.00 0.00 N ATOM 1224 CA ALA A 84 -2.910 -6.003 -7.571 1.00 0.00 C ATOM 1225 C ALA A 84 -1.857 -5.596 -6.546 1.00 0.00 C ATOM 1226 O ALA A 84 -0.667 -5.534 -6.854 1.00 0.00 O ATOM 1227 CB ALA A 84 -3.726 -4.793 -8.001 1.00 0.00 C ATOM 0 H ALA A 84 -4.743 -6.734 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.396 -6.408 -8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.060 -4.027 -8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.438 -5.089 -8.771 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.266 -4.394 -7.142 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.304 -5.324 -5.324 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.401 -4.926 -4.251 1.00 0.00 C ATOM 1235 C LEU A 85 -0.231 -5.898 -4.137 1.00 0.00 C ATOM 1236 O LEU A 85 0.925 -5.485 -4.050 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.154 -4.856 -2.920 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.269 -4.713 -1.678 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -0.177 -3.679 -1.914 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.107 -4.335 -0.466 1.00 0.00 C ATOM 0 H LEU A 85 -3.286 -5.372 -5.053 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.007 -3.938 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.843 -4.012 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.758 -5.757 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.795 -5.675 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.441 -3.592 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.443 -3.990 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.632 -2.714 -2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.461 -4.238 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.610 -3.386 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.851 -5.110 -0.282 1.00 0.00 H new ATOM 1252 N MET A 86 -0.538 -7.191 -4.138 1.00 0.00 N ATOM 1253 CA MET A 86 0.490 -8.219 -4.035 1.00 0.00 C ATOM 1254 C MET A 86 1.585 -7.994 -5.072 1.00 0.00 C ATOM 1255 O MET A 86 2.766 -7.914 -4.736 1.00 0.00 O ATOM 1256 CB MET A 86 -0.128 -9.608 -4.219 1.00 0.00 C ATOM 1257 CG MET A 86 -1.279 -9.888 -3.268 1.00 0.00 C ATOM 1258 SD MET A 86 -1.730 -11.634 -3.217 1.00 0.00 S ATOM 1259 CE MET A 86 -3.494 -11.518 -2.923 1.00 0.00 C ATOM 0 H MET A 86 -1.490 -7.551 -4.209 1.00 0.00 H new ATOM 0 HA MET A 86 0.935 -8.157 -3.042 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.482 -9.707 -5.245 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.645 -10.363 -4.075 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.005 -9.558 -2.266 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.146 -9.301 -3.571 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.980 -12.433 -3.262 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.677 -11.383 -1.857 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.899 -10.667 -3.471 1.00 0.00 H new ATOM 1269 N HIS A 87 1.183 -7.891 -6.335 1.00 0.00 N ATOM 1270 CA HIS A 87 2.129 -7.668 -7.421 1.00 0.00 C ATOM 1271 C HIS A 87 3.040 -6.484 -7.116 1.00 0.00 C ATOM 1272 O HIS A 87 4.153 -6.394 -7.634 1.00 0.00 O ATOM 1273 CB HIS A 87 1.381 -7.423 -8.733 1.00 0.00 C ATOM 1274 CG HIS A 87 2.277 -7.359 -9.930 1.00 0.00 C ATOM 1275 ND1 HIS A 87 3.608 -7.576 -10.053 1.00 0.00 N flip ATOM 1276 CD2 HIS A 87 1.824 -7.038 -11.193 1.00 0.00 C flip ATOM 1277 CE1 HIS A 87 3.930 -7.385 -11.373 1.00 0.00 C flip ATOM 1278 NE2 HIS A 87 2.838 -7.061 -12.041 1.00 0.00 N flip ATOM 0 H HIS A 87 0.209 -7.958 -6.631 1.00 0.00 H new ATOM 0 HA HIS A 87 2.745 -8.561 -7.521 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.650 -8.218 -8.879 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.825 -6.489 -8.656 1.00 0.00 H new ATOM 0 HD1 HIS A 87 4.251 -7.833 -9.304 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.801 -6.804 -11.449 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.918 -7.484 -11.798 1.00 0.00 H new ATOM 1287 N VAL A 88 2.560 -5.577 -6.271 1.00 0.00 N ATOM 1288 CA VAL A 88 3.330 -4.396 -5.899 1.00 0.00 C ATOM 1289 C VAL A 88 4.298 -4.704 -4.761 1.00 0.00 C ATOM 1290 O VAL A 88 5.329 -4.048 -4.617 1.00 0.00 O ATOM 1291 CB VAL A 88 2.410 -3.237 -5.474 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.225 -1.983 -5.202 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.354 -2.977 -6.536 1.00 0.00 C ATOM 0 H VAL A 88 1.642 -5.638 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 88 3.895 -4.098 -6.782 1.00 0.00 H new ATOM 0 HB VAL A 88 1.901 -3.519 -4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.559 -1.174 -4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.939 -2.180 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.762 -1.695 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.713 -2.155 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.840 -2.716 -7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.751 -3.874 -6.676 1.00 0.00 H new ATOM 1303 N MET A 89 3.948 -5.690 -3.941 1.00 0.00 N ATOM 1304 CA MET A 89 4.791 -6.087 -2.822 1.00 0.00 C ATOM 1305 C MET A 89 5.876 -7.049 -3.285 1.00 0.00 C ATOM 1306 O MET A 89 7.001 -7.021 -2.786 1.00 0.00 O ATOM 1307 CB MET A 89 3.950 -6.739 -1.724 1.00 0.00 C ATOM 1308 CG MET A 89 2.732 -5.923 -1.320 1.00 0.00 C ATOM 1309 SD MET A 89 3.117 -4.182 -1.047 1.00 0.00 S ATOM 1310 CE MET A 89 4.228 -4.294 0.353 1.00 0.00 C ATOM 0 H MET A 89 3.086 -6.228 -4.032 1.00 0.00 H new ATOM 0 HA MET A 89 5.265 -5.192 -2.418 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.622 -7.721 -2.065 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.576 -6.899 -0.846 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.972 -6.005 -2.097 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.304 -6.343 -0.410 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.994 -3.523 0.272 1.00 0.00 H new ATOM 0 HE2 MET A 89 3.666 -4.152 1.276 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.701 -5.276 0.364 1.00 0.00 H new ATOM 1320 N GLN A 90 5.529 -7.902 -4.242 1.00 0.00 N ATOM 1321 CA GLN A 90 6.473 -8.872 -4.775 1.00 0.00 C ATOM 1322 C GLN A 90 7.644 -8.170 -5.455 1.00 0.00 C ATOM 1323 O GLN A 90 8.772 -8.663 -5.442 1.00 0.00 O ATOM 1324 CB GLN A 90 5.779 -9.813 -5.753 1.00 0.00 C ATOM 1325 CG GLN A 90 5.419 -9.142 -7.056 1.00 0.00 C ATOM 1326 CD GLN A 90 4.811 -10.096 -8.065 1.00 0.00 C ATOM 1327 OE1 GLN A 90 3.668 -10.529 -7.917 1.00 0.00 O ATOM 1328 NE2 GLN A 90 5.575 -10.431 -9.099 1.00 0.00 N ATOM 0 H GLN A 90 4.601 -7.940 -4.663 1.00 0.00 H new ATOM 0 HA GLN A 90 6.861 -9.460 -3.943 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.430 -10.664 -5.955 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.874 -10.207 -5.291 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.716 -8.333 -6.859 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.313 -8.690 -7.485 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.517 -10.048 -9.182 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.220 -11.071 -9.810 1.00 0.00 H new ATOM 1337 N LYS A 91 7.366 -7.012 -6.044 1.00 0.00 N ATOM 1338 CA LYS A 91 8.392 -6.233 -6.724 1.00 0.00 C ATOM 1339 C LYS A 91 9.407 -5.688 -5.726 1.00 0.00 C ATOM 1340 O LYS A 91 10.616 -5.846 -5.905 1.00 0.00 O ATOM 1341 CB LYS A 91 7.752 -5.079 -7.500 1.00 0.00 C ATOM 1342 CG LYS A 91 6.940 -5.532 -8.703 1.00 0.00 C ATOM 1343 CD LYS A 91 7.838 -5.908 -9.871 1.00 0.00 C ATOM 1344 CE LYS A 91 7.451 -5.161 -11.136 1.00 0.00 C ATOM 1345 NZ LYS A 91 8.601 -5.016 -12.071 1.00 0.00 N ATOM 0 H LYS A 91 6.437 -6.592 -6.064 1.00 0.00 H new ATOM 0 HA LYS A 91 8.911 -6.889 -7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.106 -4.514 -6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.535 -4.399 -7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.324 -6.387 -8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.261 -4.735 -9.006 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.875 -5.686 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.775 -6.982 -10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.641 -5.691 -11.637 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.071 -4.174 -10.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.295 -4.501 -12.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.365 -4.488 -11.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.948 -5.958 -12.343 1.00 0.00 H new ATOM 1359 N ARG A 92 8.908 -5.048 -4.674 1.00 0.00 N ATOM 1360 CA ARG A 92 9.768 -4.483 -3.642 1.00 0.00 C ATOM 1361 C ARG A 92 10.521 -5.586 -2.901 1.00 0.00 C ATOM 1362 O ARG A 92 11.721 -5.471 -2.650 1.00 0.00 O ATOM 1363 CB ARG A 92 8.938 -3.654 -2.656 1.00 0.00 C ATOM 1364 CG ARG A 92 9.708 -3.216 -1.420 1.00 0.00 C ATOM 1365 CD ARG A 92 10.817 -2.238 -1.769 1.00 0.00 C ATOM 1366 NE ARG A 92 11.991 -2.418 -0.919 1.00 0.00 N ATOM 1367 CZ ARG A 92 12.066 -1.980 0.334 1.00 0.00 C ATOM 1368 NH1 ARG A 92 11.041 -1.338 0.876 1.00 0.00 N ATOM 1369 NH2 ARG A 92 13.167 -2.184 1.044 1.00 0.00 N ATOM 0 H ARG A 92 7.910 -4.908 -4.514 1.00 0.00 H new ATOM 0 HA ARG A 92 10.498 -3.832 -4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.559 -2.770 -3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.072 -4.238 -2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.024 -2.752 -0.710 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.135 -4.090 -0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.101 -2.369 -2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.447 -1.218 -1.665 1.00 0.00 H new ATOM 0 HE ARG A 92 12.797 -2.906 -1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.193 -1.179 0.332 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.100 -1.003 1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.957 -2.677 0.629 1.00 0.00 H new ATOM 0 HH22 ARG A 92 13.224 -1.848 2.005 1.00 0.00 H new ATOM 1383 N SER A 93 9.808 -6.653 -2.557 1.00 0.00 N ATOM 1384 CA SER A 93 10.407 -7.774 -1.845 1.00 0.00 C ATOM 1385 C SER A 93 11.640 -8.294 -2.579 1.00 0.00 C ATOM 1386 O SER A 93 12.612 -8.719 -1.955 1.00 0.00 O ATOM 1387 CB SER A 93 9.387 -8.903 -1.680 1.00 0.00 C ATOM 1388 OG SER A 93 8.532 -8.660 -0.577 1.00 0.00 O ATOM 0 H SER A 93 8.815 -6.764 -2.760 1.00 0.00 H new ATOM 0 HA SER A 93 10.715 -7.421 -0.861 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.794 -8.998 -2.590 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.908 -9.850 -1.539 1.00 0.00 H new ATOM 0 HG SER A 93 7.788 -8.089 -0.860 1.00 0.00 H new