USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=10 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 Single : A 14 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.4!) USER MOD Single : A 15 ASN : amide:sc= -2.14 K(o=-2.1,f=-4.8!) USER MOD Single : A 20 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.25) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 35:sc= 1.16 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.152 USER MOD Single : A 39 GLN : amide:sc= 0.252 K(o=0.25,f=-3.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00442 USER MOD Single : A 46 SER OG : rot 106:sc= 0.213 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 79:sc= 0.996 USER MOD Single : A 56 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.68) USER MOD Single : A 64 GLN : amide:sc= -0.0585 X(o=-0.058,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 149:sc= -3.47! (180deg=-5.91!) USER MOD Single : A 87 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=0) USER MOD Single : A 89 MET CE :methyl -108:sc= -0.348 (180deg=-2.22) USER MOD Single : A 90 GLN : amide:sc= -0.382 K(o=-0.38,f=-3.2!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N VAL A 9 -5.548 13.820 0.147 1.00 0.00 N ATOM 127 CA VAL A 9 -5.130 12.451 0.428 1.00 0.00 C ATOM 128 C VAL A 9 -4.998 12.206 1.926 1.00 0.00 C ATOM 129 O VAL A 9 -4.744 13.127 2.702 1.00 0.00 O ATOM 130 CB VAL A 9 -3.786 12.114 -0.249 1.00 0.00 C ATOM 131 CG1 VAL A 9 -3.380 10.679 0.064 1.00 0.00 C ATOM 132 CG2 VAL A 9 -3.871 12.338 -1.751 1.00 0.00 C ATOM 0 HA VAL A 9 -5.907 11.804 0.021 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.021 12.781 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.430 10.456 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.275 10.558 1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.145 9.996 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.913 12.095 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.647 11.698 -2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.114 13.382 -1.950 1.00 0.00 H new ATOM 142 N GLY A 10 -5.141 10.944 2.314 1.00 0.00 N ATOM 143 CA GLY A 10 -4.998 10.572 3.704 1.00 0.00 C ATOM 144 C GLY A 10 -3.549 10.328 4.076 1.00 0.00 C ATOM 145 O GLY A 10 -3.066 10.834 5.089 1.00 0.00 O ATOM 0 H GLY A 10 -5.355 10.170 1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.407 11.361 4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.580 9.672 3.901 1.00 0.00 H new ATOM 149 N TRP A 11 -2.848 9.568 3.237 1.00 0.00 N ATOM 150 CA TRP A 11 -1.440 9.270 3.465 1.00 0.00 C ATOM 151 C TRP A 11 -0.588 10.519 3.249 1.00 0.00 C ATOM 152 O TRP A 11 -0.709 11.201 2.232 1.00 0.00 O ATOM 153 CB TRP A 11 -0.982 8.119 2.549 1.00 0.00 C ATOM 154 CG TRP A 11 0.505 8.033 2.349 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.371 7.198 2.995 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.299 8.815 1.448 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.653 7.411 2.549 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.635 8.398 1.600 1.00 0.00 C ATOM 159 CE3 TRP A 11 1.009 9.826 0.527 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.678 8.957 0.865 1.00 0.00 C ATOM 161 CZ3 TRP A 11 2.044 10.380 -0.202 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.364 9.945 -0.029 1.00 0.00 C ATOM 0 H TRP A 11 -3.235 9.148 2.392 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.311 8.951 4.499 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.334 7.176 2.968 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.460 8.234 1.576 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.089 6.476 3.747 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.483 6.915 2.872 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.006 10.168 0.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.697 8.623 0.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.832 11.161 -0.917 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.151 10.399 -0.613 1.00 0.00 H new ATOM 173 N ASP A 12 0.276 10.801 4.214 1.00 0.00 N ATOM 174 CA ASP A 12 1.157 11.960 4.139 1.00 0.00 C ATOM 175 C ASP A 12 2.620 11.526 4.100 1.00 0.00 C ATOM 176 O ASP A 12 3.015 10.597 4.803 1.00 0.00 O ATOM 177 CB ASP A 12 0.919 12.883 5.335 1.00 0.00 C ATOM 178 CG ASP A 12 1.195 12.198 6.658 1.00 0.00 C ATOM 179 OD1 ASP A 12 1.044 10.960 6.729 1.00 0.00 O ATOM 180 OD2 ASP A 12 1.563 12.899 7.625 1.00 0.00 O ATOM 0 H ASP A 12 0.386 10.242 5.060 1.00 0.00 H new ATOM 0 HA ASP A 12 0.931 12.501 3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.557 13.762 5.244 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.113 13.235 5.319 1.00 0.00 H new ATOM 185 N PRO A 13 3.452 12.195 3.278 1.00 0.00 N ATOM 186 CA PRO A 13 4.879 11.869 3.162 1.00 0.00 C ATOM 187 C PRO A 13 5.636 12.106 4.466 1.00 0.00 C ATOM 188 O PRO A 13 6.476 13.002 4.554 1.00 0.00 O ATOM 189 CB PRO A 13 5.391 12.821 2.073 1.00 0.00 C ATOM 190 CG PRO A 13 4.172 13.321 1.375 1.00 0.00 C ATOM 191 CD PRO A 13 3.073 13.314 2.399 1.00 0.00 C ATOM 0 HA PRO A 13 5.029 10.816 2.926 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.960 13.643 2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.055 12.304 1.381 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.332 14.325 0.982 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.919 12.684 0.528 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.022 14.257 2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.096 13.156 1.942 1.00 0.00 H new ATOM 199 N GLN A 14 5.338 11.295 5.477 1.00 0.00 N ATOM 200 CA GLN A 14 5.991 11.420 6.775 1.00 0.00 C ATOM 201 C GLN A 14 6.058 10.072 7.484 1.00 0.00 C ATOM 202 O GLN A 14 7.118 9.452 7.559 1.00 0.00 O ATOM 203 CB GLN A 14 5.245 12.433 7.647 1.00 0.00 C ATOM 204 CG GLN A 14 5.869 13.819 7.637 1.00 0.00 C ATOM 205 CD GLN A 14 5.306 14.703 6.542 1.00 0.00 C ATOM 206 OE1 GLN A 14 6.037 15.179 5.674 1.00 0.00 O ATOM 207 NE2 GLN A 14 3.998 14.928 6.578 1.00 0.00 N ATOM 0 H GLN A 14 4.649 10.545 5.422 1.00 0.00 H new ATOM 0 HA GLN A 14 7.009 11.772 6.610 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.213 12.506 7.303 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.214 12.065 8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.704 14.295 8.604 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.947 13.727 7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.429 14.513 7.316 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.562 15.516 5.868 1.00 0.00 H new ATOM 216 N ASN A 15 4.919 9.624 8.004 1.00 0.00 N ATOM 217 CA ASN A 15 4.853 8.350 8.710 1.00 0.00 C ATOM 218 C ASN A 15 4.356 7.241 7.788 1.00 0.00 C ATOM 219 O ASN A 15 4.869 6.122 7.814 1.00 0.00 O ATOM 220 CB ASN A 15 3.936 8.465 9.928 1.00 0.00 C ATOM 221 CG ASN A 15 2.484 8.672 9.543 1.00 0.00 C ATOM 222 OD1 ASN A 15 1.810 7.743 9.098 1.00 0.00 O ATOM 223 ND2 ASN A 15 1.994 9.894 9.715 1.00 0.00 N ATOM 0 H ASN A 15 4.031 10.124 7.950 1.00 0.00 H new ATOM 0 HA ASN A 15 5.859 8.096 9.044 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.023 7.561 10.531 1.00 0.00 H new ATOM 0 HB3 ASN A 15 4.266 9.297 10.550 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.023 10.092 9.475 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.589 10.634 10.087 1.00 0.00 H new ATOM 230 N GLY A 16 3.354 7.557 6.973 1.00 0.00 N ATOM 231 CA GLY A 16 2.805 6.574 6.058 1.00 0.00 C ATOM 232 C GLY A 16 1.350 6.263 6.346 1.00 0.00 C ATOM 233 O GLY A 16 0.452 6.931 5.833 1.00 0.00 O ATOM 0 H GLY A 16 2.913 8.476 6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.899 6.941 5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.389 5.656 6.122 1.00 0.00 H new ATOM 237 N PHE A 17 1.115 5.246 7.170 1.00 0.00 N ATOM 238 CA PHE A 17 -0.241 4.852 7.527 1.00 0.00 C ATOM 239 C PHE A 17 -0.566 5.248 8.964 1.00 0.00 C ATOM 240 O PHE A 17 0.262 5.834 9.661 1.00 0.00 O ATOM 241 CB PHE A 17 -0.422 3.340 7.365 1.00 0.00 C ATOM 242 CG PHE A 17 -0.085 2.823 5.995 1.00 0.00 C ATOM 243 CD1 PHE A 17 1.233 2.600 5.630 1.00 0.00 C ATOM 244 CD2 PHE A 17 -1.088 2.532 5.085 1.00 0.00 C ATOM 245 CE1 PHE A 17 1.545 2.111 4.375 1.00 0.00 C ATOM 246 CE2 PHE A 17 -0.783 2.045 3.829 1.00 0.00 C ATOM 247 CZ PHE A 17 0.535 1.831 3.475 1.00 0.00 C ATOM 0 H PHE A 17 1.846 4.681 7.602 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.923 5.372 6.855 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.203 2.830 8.098 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.456 3.082 7.594 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.025 2.810 6.333 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.121 2.688 5.361 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.576 1.948 4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.574 1.832 3.125 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.776 1.445 2.495 1.00 0.00 H new ATOM 257 N ASP A 18 -1.776 4.911 9.400 1.00 0.00 N ATOM 258 CA ASP A 18 -2.214 5.211 10.758 1.00 0.00 C ATOM 259 C ASP A 18 -2.964 4.024 11.355 1.00 0.00 C ATOM 260 O ASP A 18 -4.170 4.092 11.589 1.00 0.00 O ATOM 261 CB ASP A 18 -3.109 6.453 10.768 1.00 0.00 C ATOM 262 CG ASP A 18 -3.085 7.171 12.103 1.00 0.00 C ATOM 263 OD1 ASP A 18 -3.083 6.486 13.147 1.00 0.00 O ATOM 264 OD2 ASP A 18 -3.069 8.420 12.105 1.00 0.00 O ATOM 0 H ASP A 18 -2.472 4.429 8.831 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.331 5.407 11.366 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.785 7.138 9.984 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.133 6.162 10.533 1.00 0.00 H new ATOM 269 N VAL A 19 -2.239 2.932 11.591 1.00 0.00 N ATOM 270 CA VAL A 19 -2.831 1.719 12.145 1.00 0.00 C ATOM 271 C VAL A 19 -3.734 2.029 13.336 1.00 0.00 C ATOM 272 O VAL A 19 -4.724 1.338 13.572 1.00 0.00 O ATOM 273 CB VAL A 19 -1.747 0.718 12.586 1.00 0.00 C ATOM 274 CG1 VAL A 19 -0.925 0.261 11.391 1.00 0.00 C ATOM 275 CG2 VAL A 19 -0.855 1.329 13.656 1.00 0.00 C ATOM 0 H VAL A 19 -1.238 2.864 11.406 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.430 1.274 11.350 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.239 -0.155 13.015 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.164 -0.446 11.722 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.578 -0.222 10.664 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.443 1.123 10.930 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.096 0.606 13.954 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.370 2.221 13.260 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.459 1.599 14.523 1.00 0.00 H new ATOM 285 N ASN A 20 -3.385 3.071 14.084 1.00 0.00 N ATOM 286 CA ASN A 20 -4.165 3.469 15.249 1.00 0.00 C ATOM 287 C ASN A 20 -5.614 3.749 14.864 1.00 0.00 C ATOM 288 O ASN A 20 -6.523 3.614 15.684 1.00 0.00 O ATOM 289 CB ASN A 20 -3.548 4.709 15.901 1.00 0.00 C ATOM 290 CG ASN A 20 -2.038 4.619 15.998 1.00 0.00 C ATOM 291 OD1 ASN A 20 -1.494 3.627 16.483 1.00 0.00 O ATOM 292 ND2 ASN A 20 -1.351 5.657 15.533 1.00 0.00 N ATOM 0 H ASN A 20 -2.568 3.654 13.904 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.152 2.646 15.964 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.820 5.593 15.325 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.967 4.838 16.899 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.332 5.652 15.570 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.843 6.459 15.139 1.00 0.00 H new ATOM 299 N ASN A 21 -5.823 4.136 13.610 1.00 0.00 N ATOM 300 CA ASN A 21 -7.161 4.432 13.113 1.00 0.00 C ATOM 301 C ASN A 21 -7.310 3.994 11.659 1.00 0.00 C ATOM 302 O ASN A 21 -8.034 4.617 10.883 1.00 0.00 O ATOM 303 CB ASN A 21 -7.455 5.929 13.238 1.00 0.00 C ATOM 304 CG ASN A 21 -8.039 6.292 14.589 1.00 0.00 C ATOM 305 OD1 ASN A 21 -9.193 5.982 14.883 1.00 0.00 O ATOM 306 ND2 ASN A 21 -7.243 6.956 15.418 1.00 0.00 N ATOM 0 H ASN A 21 -5.082 4.252 12.919 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.877 3.876 13.718 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.535 6.492 13.080 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.150 6.227 12.453 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.582 7.230 16.340 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.293 7.192 15.133 1.00 0.00 H new ATOM 313 N LEU A 22 -6.617 2.919 11.298 1.00 0.00 N ATOM 314 CA LEU A 22 -6.664 2.398 9.937 1.00 0.00 C ATOM 315 C LEU A 22 -8.079 1.968 9.564 1.00 0.00 C ATOM 316 O LEU A 22 -8.770 1.323 10.351 1.00 0.00 O ATOM 317 CB LEU A 22 -5.705 1.214 9.794 1.00 0.00 C ATOM 318 CG LEU A 22 -4.602 1.396 8.750 1.00 0.00 C ATOM 319 CD1 LEU A 22 -3.634 0.224 8.789 1.00 0.00 C ATOM 320 CD2 LEU A 22 -5.203 1.548 7.361 1.00 0.00 C ATOM 0 H LEU A 22 -6.015 2.391 11.930 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.358 3.194 9.258 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.240 1.024 10.761 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.284 0.326 9.538 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.050 2.306 8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.856 0.370 8.040 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.179 0.161 9.777 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.172 -0.700 8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.404 1.677 6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.780 0.657 7.115 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.857 2.420 7.341 1.00 0.00 H new ATOM 332 N ASP A 23 -8.499 2.321 8.353 1.00 0.00 N ATOM 333 CA ASP A 23 -9.826 1.960 7.873 1.00 0.00 C ATOM 334 C ASP A 23 -10.039 0.451 7.955 1.00 0.00 C ATOM 335 O ASP A 23 -9.094 -0.325 7.807 1.00 0.00 O ATOM 336 CB ASP A 23 -10.016 2.436 6.431 1.00 0.00 C ATOM 337 CG ASP A 23 -10.890 3.671 6.340 1.00 0.00 C ATOM 338 OD1 ASP A 23 -11.105 4.325 7.383 1.00 0.00 O ATOM 339 OD2 ASP A 23 -11.358 3.987 5.226 1.00 0.00 O ATOM 0 H ASP A 23 -7.940 2.856 7.688 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.563 2.450 8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.042 2.650 5.991 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.462 1.634 5.843 1.00 0.00 H new ATOM 344 N PRO A 24 -11.284 0.013 8.201 1.00 0.00 N ATOM 345 CA PRO A 24 -11.616 -1.412 8.308 1.00 0.00 C ATOM 346 C PRO A 24 -11.556 -2.127 6.963 1.00 0.00 C ATOM 347 O PRO A 24 -11.115 -3.273 6.877 1.00 0.00 O ATOM 348 CB PRO A 24 -13.044 -1.403 8.844 1.00 0.00 C ATOM 349 CG PRO A 24 -13.612 -0.109 8.375 1.00 0.00 C ATOM 350 CD PRO A 24 -12.470 0.871 8.390 1.00 0.00 C ATOM 0 HA PRO A 24 -10.910 -1.947 8.944 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.616 -2.249 8.463 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.060 -1.472 9.932 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.030 -0.206 7.373 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -14.420 0.222 9.027 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.563 1.610 7.594 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.423 1.420 9.330 1.00 0.00 H new ATOM 358 N ASP A 25 -12.004 -1.444 5.915 1.00 0.00 N ATOM 359 CA ASP A 25 -12.006 -2.017 4.575 1.00 0.00 C ATOM 360 C ASP A 25 -10.586 -2.174 4.043 1.00 0.00 C ATOM 361 O ASP A 25 -10.267 -3.161 3.381 1.00 0.00 O ATOM 362 CB ASP A 25 -12.824 -1.137 3.627 1.00 0.00 C ATOM 363 CG ASP A 25 -14.296 -1.114 3.987 1.00 0.00 C ATOM 364 OD1 ASP A 25 -14.645 -1.587 5.090 1.00 0.00 O ATOM 365 OD2 ASP A 25 -15.100 -0.621 3.169 1.00 0.00 O ATOM 0 H ASP A 25 -12.370 -0.493 5.968 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.461 -3.006 4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.431 -0.120 3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.708 -1.501 2.606 1.00 0.00 H new ATOM 370 N LEU A 26 -9.737 -1.195 4.338 1.00 0.00 N ATOM 371 CA LEU A 26 -8.352 -1.226 3.885 1.00 0.00 C ATOM 372 C LEU A 26 -7.529 -2.211 4.707 1.00 0.00 C ATOM 373 O LEU A 26 -6.706 -2.950 4.165 1.00 0.00 O ATOM 374 CB LEU A 26 -7.734 0.172 3.971 1.00 0.00 C ATOM 375 CG LEU A 26 -6.633 0.456 2.949 1.00 0.00 C ATOM 376 CD1 LEU A 26 -5.484 -0.529 3.113 1.00 0.00 C ATOM 377 CD2 LEU A 26 -7.191 0.400 1.535 1.00 0.00 C ATOM 0 H LEU A 26 -9.984 -0.372 4.888 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.344 -1.556 2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.525 0.911 3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.325 0.311 4.972 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.249 1.461 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.710 -0.311 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.067 -0.438 4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.851 -1.544 2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.393 0.605 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.603 -0.591 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.977 1.147 1.424 1.00 0.00 H new ATOM 389 N ARG A 27 -7.756 -2.222 6.018 1.00 0.00 N ATOM 390 CA ARG A 27 -7.035 -3.128 6.906 1.00 0.00 C ATOM 391 C ARG A 27 -7.109 -4.560 6.389 1.00 0.00 C ATOM 392 O ARG A 27 -6.198 -5.360 6.607 1.00 0.00 O ATOM 393 CB ARG A 27 -7.610 -3.057 8.322 1.00 0.00 C ATOM 394 CG ARG A 27 -6.583 -2.673 9.376 1.00 0.00 C ATOM 395 CD ARG A 27 -6.984 -3.173 10.753 1.00 0.00 C ATOM 396 NE ARG A 27 -6.467 -4.511 11.024 1.00 0.00 N ATOM 397 CZ ARG A 27 -6.728 -5.188 12.137 1.00 0.00 C ATOM 398 NH1 ARG A 27 -7.496 -4.654 13.077 1.00 0.00 N ATOM 399 NH2 ARG A 27 -6.223 -6.402 12.313 1.00 0.00 N ATOM 0 H ARG A 27 -8.430 -1.617 6.487 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.990 -2.818 6.931 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.424 -2.333 8.339 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.039 -4.025 8.580 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.611 -3.087 9.106 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.472 -1.589 9.400 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.615 -2.482 11.511 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.071 -3.182 10.832 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.873 -4.950 10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.888 -3.721 12.946 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.695 -5.176 13.931 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.633 -6.818 11.593 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.425 -6.919 13.169 1.00 0.00 H new ATOM 413 N SER A 28 -8.202 -4.875 5.701 1.00 0.00 N ATOM 414 CA SER A 28 -8.394 -6.204 5.139 1.00 0.00 C ATOM 415 C SER A 28 -7.703 -6.319 3.786 1.00 0.00 C ATOM 416 O SER A 28 -7.170 -7.371 3.435 1.00 0.00 O ATOM 417 CB SER A 28 -9.887 -6.508 4.992 1.00 0.00 C ATOM 418 OG SER A 28 -10.604 -5.354 4.586 1.00 0.00 O ATOM 0 H SER A 28 -8.968 -4.226 5.520 1.00 0.00 H new ATOM 0 HA SER A 28 -7.950 -6.931 5.819 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.029 -7.304 4.261 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.283 -6.871 5.940 1.00 0.00 H new ATOM 0 HG SER A 28 -10.046 -4.816 3.986 1.00 0.00 H new ATOM 424 N LEU A 29 -7.708 -5.223 3.033 1.00 0.00 N ATOM 425 CA LEU A 29 -7.068 -5.195 1.725 1.00 0.00 C ATOM 426 C LEU A 29 -5.619 -5.663 1.827 1.00 0.00 C ATOM 427 O LEU A 29 -5.054 -6.185 0.867 1.00 0.00 O ATOM 428 CB LEU A 29 -7.123 -3.782 1.136 1.00 0.00 C ATOM 429 CG LEU A 29 -7.089 -3.718 -0.393 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.214 -2.278 -0.868 1.00 0.00 C ATOM 431 CD2 LEU A 29 -5.813 -4.350 -0.924 1.00 0.00 C ATOM 0 H LEU A 29 -8.148 -4.344 3.307 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.608 -5.874 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.033 -3.294 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.283 -3.208 1.528 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.937 -4.282 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.188 -2.251 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.157 -1.860 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.386 -1.691 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.806 -4.296 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.950 -3.815 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.767 -5.394 -0.613 1.00 0.00 H new ATOM 443 N PHE A 30 -5.029 -5.485 3.006 1.00 0.00 N ATOM 444 CA PHE A 30 -3.649 -5.895 3.241 1.00 0.00 C ATOM 445 C PHE A 30 -3.577 -7.370 3.616 1.00 0.00 C ATOM 446 O PHE A 30 -2.864 -8.148 2.980 1.00 0.00 O ATOM 447 CB PHE A 30 -3.029 -5.049 4.355 1.00 0.00 C ATOM 448 CG PHE A 30 -2.655 -3.662 3.920 1.00 0.00 C ATOM 449 CD1 PHE A 30 -1.830 -3.464 2.824 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.124 -2.557 4.610 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.482 -2.189 2.423 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.780 -1.279 4.214 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.957 -1.094 3.119 1.00 0.00 C ATOM 0 H PHE A 30 -5.486 -5.060 3.813 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.089 -5.743 2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.733 -4.983 5.184 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.140 -5.555 4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.455 -4.317 2.277 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.766 -2.696 5.467 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.839 -2.048 1.566 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.154 -0.425 4.760 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.686 -0.096 2.808 1.00 0.00 H new ATOM 463 N SER A 31 -4.324 -7.750 4.647 1.00 0.00 N ATOM 464 CA SER A 31 -4.348 -9.133 5.108 1.00 0.00 C ATOM 465 C SER A 31 -4.585 -10.094 3.948 1.00 0.00 C ATOM 466 O SER A 31 -4.199 -11.262 4.007 1.00 0.00 O ATOM 467 CB SER A 31 -5.437 -9.319 6.167 1.00 0.00 C ATOM 468 OG SER A 31 -5.191 -10.469 6.958 1.00 0.00 O ATOM 0 H SER A 31 -4.922 -7.118 5.180 1.00 0.00 H new ATOM 0 HA SER A 31 -3.376 -9.358 5.548 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.481 -8.437 6.806 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.409 -9.409 5.681 1.00 0.00 H new ATOM 0 HG SER A 31 -5.901 -10.564 7.627 1.00 0.00 H new ATOM 474 N ARG A 32 -5.220 -9.597 2.891 1.00 0.00 N ATOM 475 CA ARG A 32 -5.508 -10.414 1.718 1.00 0.00 C ATOM 476 C ARG A 32 -4.339 -10.395 0.738 1.00 0.00 C ATOM 477 O ARG A 32 -4.108 -11.365 0.016 1.00 0.00 O ATOM 478 CB ARG A 32 -6.778 -9.914 1.027 1.00 0.00 C ATOM 479 CG ARG A 32 -8.034 -10.087 1.866 1.00 0.00 C ATOM 480 CD ARG A 32 -9.271 -9.609 1.123 1.00 0.00 C ATOM 481 NE ARG A 32 -10.050 -10.722 0.589 1.00 0.00 N ATOM 482 CZ ARG A 32 -11.256 -10.583 0.047 1.00 0.00 C ATOM 483 NH1 ARG A 32 -11.817 -9.384 -0.030 1.00 0.00 N ATOM 484 NH2 ARG A 32 -11.903 -11.644 -0.417 1.00 0.00 N ATOM 0 H ARG A 32 -5.545 -8.632 2.823 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.661 -11.441 2.049 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.657 -8.859 0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.904 -10.448 0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.152 -11.137 2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.930 -9.530 2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.894 -9.020 1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.973 -8.951 0.307 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.647 -11.658 0.634 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.323 -8.566 0.327 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.742 -9.280 -0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.475 -12.568 -0.358 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.828 -11.536 -0.833 1.00 0.00 H new ATOM 498 N ALA A 33 -3.604 -9.287 0.717 1.00 0.00 N ATOM 499 CA ALA A 33 -2.459 -9.148 -0.177 1.00 0.00 C ATOM 500 C ALA A 33 -1.194 -9.721 0.458 1.00 0.00 C ATOM 501 O ALA A 33 -0.256 -10.102 -0.243 1.00 0.00 O ATOM 502 CB ALA A 33 -2.250 -7.688 -0.548 1.00 0.00 C ATOM 0 H ALA A 33 -3.780 -8.474 1.307 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.669 -9.714 -1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.392 -7.601 -1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.140 -7.309 -1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.068 -7.106 0.355 1.00 0.00 H new ATOM 508 N GLY A 34 -1.180 -9.790 1.785 1.00 0.00 N ATOM 509 CA GLY A 34 -0.029 -10.329 2.486 1.00 0.00 C ATOM 510 C GLY A 34 0.878 -9.249 3.043 1.00 0.00 C ATOM 511 O GLY A 34 2.096 -9.302 2.871 1.00 0.00 O ATOM 0 H GLY A 34 -1.944 -9.483 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.371 -10.966 3.302 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.542 -10.961 1.806 1.00 0.00 H new ATOM 515 N ILE A 35 0.288 -8.268 3.720 1.00 0.00 N ATOM 516 CA ILE A 35 1.056 -7.181 4.316 1.00 0.00 C ATOM 517 C ILE A 35 0.709 -7.014 5.792 1.00 0.00 C ATOM 518 O ILE A 35 -0.418 -7.286 6.208 1.00 0.00 O ATOM 519 CB ILE A 35 0.812 -5.846 3.588 1.00 0.00 C ATOM 520 CG1 ILE A 35 1.091 -5.998 2.092 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.684 -4.751 4.187 1.00 0.00 C ATOM 522 CD1 ILE A 35 1.051 -4.688 1.335 1.00 0.00 C ATOM 0 H ILE A 35 -0.719 -8.204 3.869 1.00 0.00 H new ATOM 0 HA ILE A 35 2.108 -7.447 4.217 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.233 -5.563 3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.071 -6.456 1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.358 -6.680 1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.501 -3.813 3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.442 -4.630 5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.734 -5.025 4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.258 -4.871 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.064 -4.238 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.803 -4.011 1.740 1.00 0.00 H new ATOM 534 N SER A 36 1.682 -6.570 6.580 1.00 0.00 N ATOM 535 CA SER A 36 1.477 -6.379 8.012 1.00 0.00 C ATOM 536 C SER A 36 1.841 -4.960 8.438 1.00 0.00 C ATOM 537 O SER A 36 2.043 -4.080 7.600 1.00 0.00 O ATOM 538 CB SER A 36 2.307 -7.390 8.805 1.00 0.00 C ATOM 539 OG SER A 36 1.746 -7.617 10.087 1.00 0.00 O ATOM 0 H SER A 36 2.619 -6.336 6.253 1.00 0.00 H new ATOM 0 HA SER A 36 0.419 -6.538 8.223 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.361 -8.330 8.257 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.328 -7.023 8.911 1.00 0.00 H new ATOM 0 HG SER A 36 2.294 -8.268 10.573 1.00 0.00 H new ATOM 545 N GLU A 37 1.921 -4.747 9.748 1.00 0.00 N ATOM 546 CA GLU A 37 2.255 -3.437 10.295 1.00 0.00 C ATOM 547 C GLU A 37 3.681 -3.035 9.930 1.00 0.00 C ATOM 548 O GLU A 37 3.934 -1.898 9.534 1.00 0.00 O ATOM 549 CB GLU A 37 2.094 -3.446 11.817 1.00 0.00 C ATOM 550 CG GLU A 37 1.171 -2.357 12.340 1.00 0.00 C ATOM 551 CD GLU A 37 0.446 -2.767 13.607 1.00 0.00 C ATOM 552 OE1 GLU A 37 1.022 -3.544 14.397 1.00 0.00 O ATOM 553 OE2 GLU A 37 -0.700 -2.312 13.810 1.00 0.00 O ATOM 0 H GLU A 37 1.759 -5.467 10.452 1.00 0.00 H new ATOM 0 HA GLU A 37 1.571 -2.707 9.862 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.708 -4.417 12.127 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.075 -3.331 12.278 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.752 -1.455 12.534 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.439 -2.106 11.572 1.00 0.00 H new ATOM 560 N ALA A 38 4.609 -3.976 10.072 1.00 0.00 N ATOM 561 CA ALA A 38 6.012 -3.721 9.768 1.00 0.00 C ATOM 562 C ALA A 38 6.175 -3.053 8.407 1.00 0.00 C ATOM 563 O ALA A 38 7.105 -2.275 8.195 1.00 0.00 O ATOM 564 CB ALA A 38 6.805 -5.018 9.819 1.00 0.00 C ATOM 0 H ALA A 38 4.414 -4.923 10.396 1.00 0.00 H new ATOM 0 HA ALA A 38 6.400 -3.037 10.523 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.851 -4.814 9.590 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.729 -5.452 10.816 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.403 -5.719 9.087 1.00 0.00 H new ATOM 570 N GLN A 39 5.268 -3.362 7.487 1.00 0.00 N ATOM 571 CA GLN A 39 5.319 -2.796 6.143 1.00 0.00 C ATOM 572 C GLN A 39 4.738 -1.385 6.118 1.00 0.00 C ATOM 573 O GLN A 39 5.267 -0.498 5.448 1.00 0.00 O ATOM 574 CB GLN A 39 4.555 -3.689 5.163 1.00 0.00 C ATOM 575 CG GLN A 39 5.399 -4.806 4.572 1.00 0.00 C ATOM 576 CD GLN A 39 5.066 -6.163 5.159 1.00 0.00 C ATOM 577 OE1 GLN A 39 4.687 -6.272 6.326 1.00 0.00 O ATOM 578 NE2 GLN A 39 5.206 -7.208 4.351 1.00 0.00 N ATOM 0 H GLN A 39 4.489 -4.001 7.647 1.00 0.00 H new ATOM 0 HA GLN A 39 6.365 -2.742 5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.697 -4.125 5.675 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.164 -3.073 4.353 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.251 -4.835 3.492 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.453 -4.589 4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.523 -7.072 3.391 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.997 -8.147 4.690 1.00 0.00 H new ATOM 587 N LEU A 40 3.644 -1.188 6.845 1.00 0.00 N ATOM 588 CA LEU A 40 2.981 0.110 6.894 1.00 0.00 C ATOM 589 C LEU A 40 3.792 1.115 7.706 1.00 0.00 C ATOM 590 O LEU A 40 3.925 2.276 7.318 1.00 0.00 O ATOM 591 CB LEU A 40 1.582 -0.038 7.496 1.00 0.00 C ATOM 592 CG LEU A 40 0.741 -1.170 6.903 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.495 -1.416 7.753 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.351 -0.849 5.468 1.00 0.00 C ATOM 0 H LEU A 40 3.197 -1.911 7.409 1.00 0.00 H new ATOM 0 HA LEU A 40 2.899 0.485 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.680 -0.202 8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.045 0.901 7.364 1.00 0.00 H new ATOM 0 HG LEU A 40 1.341 -2.080 6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.082 -2.224 7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.193 -1.691 8.763 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.098 -0.509 7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.247 -1.665 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.231 0.072 5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.251 -0.724 4.866 1.00 0.00 H new ATOM 606 N THR A 41 4.329 0.665 8.835 1.00 0.00 N ATOM 607 CA THR A 41 5.119 1.532 9.704 1.00 0.00 C ATOM 608 C THR A 41 6.352 2.062 8.977 1.00 0.00 C ATOM 609 O THR A 41 6.783 3.192 9.209 1.00 0.00 O ATOM 610 CB THR A 41 5.544 0.776 10.964 1.00 0.00 C ATOM 611 OG1 THR A 41 6.592 -0.131 10.675 1.00 0.00 O ATOM 612 CG2 THR A 41 4.417 -0.009 11.600 1.00 0.00 C ATOM 0 H THR A 41 4.232 -0.294 9.170 1.00 0.00 H new ATOM 0 HA THR A 41 4.496 2.380 9.988 1.00 0.00 H new ATOM 0 HB THR A 41 5.870 1.544 11.666 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.851 -0.604 11.494 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.786 -0.521 12.488 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.613 0.671 11.881 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.039 -0.743 10.889 1.00 0.00 H new ATOM 620 N ASP A 42 6.914 1.241 8.096 1.00 0.00 N ATOM 621 CA ASP A 42 8.100 1.629 7.339 1.00 0.00 C ATOM 622 C ASP A 42 7.789 2.777 6.384 1.00 0.00 C ATOM 623 O ASP A 42 6.871 2.688 5.569 1.00 0.00 O ATOM 624 CB ASP A 42 8.642 0.432 6.555 1.00 0.00 C ATOM 625 CG ASP A 42 9.409 -0.537 7.432 1.00 0.00 C ATOM 626 OD1 ASP A 42 10.086 -0.075 8.375 1.00 0.00 O ATOM 627 OD2 ASP A 42 9.334 -1.757 7.177 1.00 0.00 O ATOM 0 H ASP A 42 6.568 0.304 7.888 1.00 0.00 H new ATOM 0 HA ASP A 42 8.857 1.967 8.047 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.813 -0.092 6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.294 0.789 5.757 1.00 0.00 H new ATOM 632 N ALA A 43 8.564 3.853 6.488 1.00 0.00 N ATOM 633 CA ALA A 43 8.374 5.018 5.632 1.00 0.00 C ATOM 634 C ALA A 43 8.844 4.734 4.209 1.00 0.00 C ATOM 635 O ALA A 43 8.302 5.275 3.245 1.00 0.00 O ATOM 636 CB ALA A 43 9.110 6.221 6.203 1.00 0.00 C ATOM 0 H ALA A 43 9.329 3.941 7.157 1.00 0.00 H new ATOM 0 HA ALA A 43 7.308 5.243 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.958 7.083 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.725 6.445 7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.175 5.999 6.268 1.00 0.00 H new ATOM 642 N GLU A 44 9.858 3.883 4.085 1.00 0.00 N ATOM 643 CA GLU A 44 10.399 3.524 2.780 1.00 0.00 C ATOM 644 C GLU A 44 9.449 2.593 2.036 1.00 0.00 C ATOM 645 O GLU A 44 9.121 2.823 0.871 1.00 0.00 O ATOM 646 CB GLU A 44 11.766 2.858 2.937 1.00 0.00 C ATOM 647 CG GLU A 44 12.493 2.642 1.620 1.00 0.00 C ATOM 648 CD GLU A 44 13.416 3.791 1.267 1.00 0.00 C ATOM 649 OE1 GLU A 44 12.951 4.951 1.279 1.00 0.00 O ATOM 650 OE2 GLU A 44 14.603 3.532 0.979 1.00 0.00 O ATOM 0 H GLU A 44 10.321 3.430 4.873 1.00 0.00 H new ATOM 0 HA GLU A 44 10.514 4.438 2.198 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.387 3.472 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.637 1.896 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.072 1.720 1.676 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.761 2.511 0.823 1.00 0.00 H new ATOM 657 N THR A 45 9.008 1.540 2.717 1.00 0.00 N ATOM 658 CA THR A 45 8.087 0.578 2.125 1.00 0.00 C ATOM 659 C THR A 45 6.709 1.199 1.927 1.00 0.00 C ATOM 660 O THR A 45 5.967 0.814 1.023 1.00 0.00 O ATOM 661 CB THR A 45 7.976 -0.665 3.009 1.00 0.00 C ATOM 662 OG1 THR A 45 9.239 -1.009 3.550 1.00 0.00 O ATOM 663 CG2 THR A 45 7.441 -1.875 2.277 1.00 0.00 C ATOM 0 H THR A 45 9.274 1.332 3.679 1.00 0.00 H new ATOM 0 HA THR A 45 8.480 0.288 1.151 1.00 0.00 H new ATOM 0 HB THR A 45 7.270 -0.399 3.796 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.147 -1.805 4.114 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.388 -2.721 2.962 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.445 -1.657 1.892 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.104 -2.121 1.448 1.00 0.00 H new ATOM 671 N SER A 46 6.371 2.163 2.777 1.00 0.00 N ATOM 672 CA SER A 46 5.086 2.843 2.683 1.00 0.00 C ATOM 673 C SER A 46 4.938 3.515 1.324 1.00 0.00 C ATOM 674 O SER A 46 4.017 3.209 0.569 1.00 0.00 O ATOM 675 CB SER A 46 4.943 3.875 3.803 1.00 0.00 C ATOM 676 OG SER A 46 4.085 4.936 3.418 1.00 0.00 O ATOM 0 H SER A 46 6.968 2.490 3.537 1.00 0.00 H new ATOM 0 HA SER A 46 4.295 2.101 2.792 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.549 3.392 4.697 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.924 4.273 4.061 1.00 0.00 H new ATOM 0 HG SER A 46 3.222 4.841 3.873 1.00 0.00 H new ATOM 682 N LYS A 47 5.858 4.424 1.011 1.00 0.00 N ATOM 683 CA LYS A 47 5.837 5.109 -0.275 1.00 0.00 C ATOM 684 C LYS A 47 5.814 4.090 -1.407 1.00 0.00 C ATOM 685 O LYS A 47 5.226 4.326 -2.463 1.00 0.00 O ATOM 686 CB LYS A 47 7.056 6.021 -0.414 1.00 0.00 C ATOM 687 CG LYS A 47 6.737 7.369 -1.040 1.00 0.00 C ATOM 688 CD LYS A 47 8.002 8.131 -1.401 1.00 0.00 C ATOM 689 CE LYS A 47 8.618 7.607 -2.687 1.00 0.00 C ATOM 690 NZ LYS A 47 9.997 7.091 -2.473 1.00 0.00 N ATOM 0 H LYS A 47 6.622 4.701 1.627 1.00 0.00 H new ATOM 0 HA LYS A 47 4.937 5.722 -0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.494 6.181 0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.809 5.517 -1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.132 7.221 -1.935 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.140 7.961 -0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.771 9.190 -1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.724 8.046 -0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.992 6.812 -3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.640 8.404 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.381 6.743 -3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.602 7.856 -2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.973 6.313 -1.783 1.00 0.00 H new ATOM 704 N LEU A 48 6.448 2.947 -1.166 1.00 0.00 N ATOM 705 CA LEU A 48 6.482 1.867 -2.139 1.00 0.00 C ATOM 706 C LEU A 48 5.101 1.237 -2.273 1.00 0.00 C ATOM 707 O LEU A 48 4.700 0.802 -3.353 1.00 0.00 O ATOM 708 CB LEU A 48 7.505 0.811 -1.708 1.00 0.00 C ATOM 709 CG LEU A 48 7.518 -0.473 -2.539 1.00 0.00 C ATOM 710 CD1 LEU A 48 6.369 -1.385 -2.135 1.00 0.00 C ATOM 711 CD2 LEU A 48 7.449 -0.147 -4.023 1.00 0.00 C ATOM 0 H LEU A 48 6.947 2.747 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 48 6.776 2.271 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.499 1.257 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.313 0.548 -0.668 1.00 0.00 H new ATOM 0 HG LEU A 48 8.453 -0.998 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.396 -2.293 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.465 -1.646 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.422 -0.870 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.459 -1.072 -4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.531 0.401 -4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.308 0.464 -4.302 1.00 0.00 H new ATOM 723 N ILE A 49 4.378 1.199 -1.159 1.00 0.00 N ATOM 724 CA ILE A 49 3.033 0.639 -1.122 1.00 0.00 C ATOM 725 C ILE A 49 1.989 1.697 -1.453 1.00 0.00 C ATOM 726 O ILE A 49 0.863 1.367 -1.827 1.00 0.00 O ATOM 727 CB ILE A 49 2.724 0.029 0.263 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.722 -1.084 0.584 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.299 -0.506 0.312 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.839 -1.383 2.062 1.00 0.00 C ATOM 0 H ILE A 49 4.706 1.554 -0.261 1.00 0.00 H new ATOM 0 HA ILE A 49 2.990 -0.148 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 49 2.819 0.814 1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.422 -1.992 0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.703 -0.804 0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.104 -0.931 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.598 0.307 0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.174 -1.278 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.564 -2.182 2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.169 -0.488 2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.868 -1.695 2.448 1.00 0.00 H new ATOM 742 N TYR A 50 2.351 2.969 -1.305 1.00 0.00 N ATOM 743 CA TYR A 50 1.404 4.040 -1.572 1.00 0.00 C ATOM 744 C TYR A 50 1.074 4.110 -3.063 1.00 0.00 C ATOM 745 O TYR A 50 0.015 4.604 -3.447 1.00 0.00 O ATOM 746 CB TYR A 50 1.903 5.396 -0.997 1.00 0.00 C ATOM 747 CG TYR A 50 1.982 6.547 -1.987 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.937 6.554 -2.996 1.00 0.00 C ATOM 749 CD2 TYR A 50 1.098 7.622 -1.911 1.00 0.00 C ATOM 750 CE1 TYR A 50 3.012 7.597 -3.901 1.00 0.00 C ATOM 751 CE2 TYR A 50 1.169 8.667 -2.813 1.00 0.00 C ATOM 752 CZ TYR A 50 2.126 8.650 -3.804 1.00 0.00 C ATOM 753 OH TYR A 50 2.198 9.688 -4.704 1.00 0.00 O ATOM 0 H TYR A 50 3.277 3.277 -1.007 1.00 0.00 H new ATOM 0 HA TYR A 50 0.472 3.817 -1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.242 5.688 -0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.893 5.244 -0.566 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.632 5.731 -3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.346 7.639 -1.136 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.760 7.587 -4.680 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.477 9.493 -2.741 1.00 0.00 H new ATOM 0 HH TYR A 50 1.769 9.423 -5.544 1.00 0.00 H new ATOM 763 N ASP A 51 1.959 3.573 -3.893 1.00 0.00 N ATOM 764 CA ASP A 51 1.701 3.512 -5.322 1.00 0.00 C ATOM 765 C ASP A 51 0.439 2.692 -5.592 1.00 0.00 C ATOM 766 O ASP A 51 -0.160 2.790 -6.663 1.00 0.00 O ATOM 767 CB ASP A 51 2.895 2.895 -6.053 1.00 0.00 C ATOM 768 CG ASP A 51 3.114 3.505 -7.423 1.00 0.00 C ATOM 769 OD1 ASP A 51 2.447 4.512 -7.738 1.00 0.00 O ATOM 770 OD2 ASP A 51 3.953 2.974 -8.182 1.00 0.00 O ATOM 0 H ASP A 51 2.853 3.177 -3.603 1.00 0.00 H new ATOM 0 HA ASP A 51 1.551 4.526 -5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.794 3.029 -5.451 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.738 1.821 -6.158 1.00 0.00 H new ATOM 775 N PHE A 52 0.030 1.895 -4.600 1.00 0.00 N ATOM 776 CA PHE A 52 -1.149 1.052 -4.728 1.00 0.00 C ATOM 777 C PHE A 52 -2.421 1.800 -4.317 1.00 0.00 C ATOM 778 O PHE A 52 -3.332 1.969 -5.128 1.00 0.00 O ATOM 779 CB PHE A 52 -0.975 -0.216 -3.885 1.00 0.00 C ATOM 780 CG PHE A 52 -2.209 -1.070 -3.827 1.00 0.00 C ATOM 781 CD1 PHE A 52 -2.577 -1.846 -4.915 1.00 0.00 C ATOM 782 CD2 PHE A 52 -3.005 -1.092 -2.693 1.00 0.00 C ATOM 783 CE1 PHE A 52 -3.712 -2.632 -4.871 1.00 0.00 C ATOM 784 CE2 PHE A 52 -4.142 -1.877 -2.643 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.496 -2.648 -3.734 1.00 0.00 C ATOM 0 H PHE A 52 0.504 1.820 -3.700 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.257 0.774 -5.776 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.154 -0.805 -4.294 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.690 0.067 -2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.969 -1.836 -5.808 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.734 -0.489 -1.839 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.986 -3.234 -5.725 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.753 -1.888 -1.752 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.384 -3.262 -3.698 1.00 0.00 H new ATOM 795 N ILE A 53 -2.488 2.246 -3.061 1.00 0.00 N ATOM 796 CA ILE A 53 -3.661 2.987 -2.585 1.00 0.00 C ATOM 797 C ILE A 53 -3.782 4.332 -3.300 1.00 0.00 C ATOM 798 O ILE A 53 -4.846 4.950 -3.297 1.00 0.00 O ATOM 799 CB ILE A 53 -3.715 3.173 -1.040 1.00 0.00 C ATOM 800 CG1 ILE A 53 -2.932 2.063 -0.332 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.169 3.174 -0.583 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.074 2.094 1.173 1.00 0.00 C ATOM 0 H ILE A 53 -1.757 2.111 -2.363 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.521 2.367 -2.836 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.254 4.126 -0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.272 1.096 -0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.877 2.150 -0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.210 3.304 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.702 3.992 -1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.636 2.227 -0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.494 1.281 1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.707 3.047 1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.124 1.976 1.442 1.00 0.00 H new ATOM 814 N GLU A 54 -2.690 4.779 -3.920 1.00 0.00 N ATOM 815 CA GLU A 54 -2.689 6.050 -4.634 1.00 0.00 C ATOM 816 C GLU A 54 -3.305 5.897 -6.021 1.00 0.00 C ATOM 817 O GLU A 54 -3.822 6.858 -6.591 1.00 0.00 O ATOM 818 CB GLU A 54 -1.260 6.587 -4.758 1.00 0.00 C ATOM 819 CG GLU A 54 -1.176 7.935 -5.455 1.00 0.00 C ATOM 820 CD GLU A 54 -0.302 7.897 -6.693 1.00 0.00 C ATOM 821 OE1 GLU A 54 -0.834 7.617 -7.787 1.00 0.00 O ATOM 822 OE2 GLU A 54 0.916 8.148 -6.568 1.00 0.00 O ATOM 0 H GLU A 54 -1.800 4.281 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.291 6.758 -4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.826 6.674 -3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.656 5.865 -5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.179 8.260 -5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.782 8.676 -4.759 1.00 0.00 H new ATOM 829 N ASP A 55 -3.248 4.683 -6.557 1.00 0.00 N ATOM 830 CA ASP A 55 -3.796 4.405 -7.879 1.00 0.00 C ATOM 831 C ASP A 55 -5.310 4.221 -7.818 1.00 0.00 C ATOM 832 O ASP A 55 -6.042 4.744 -8.658 1.00 0.00 O ATOM 833 CB ASP A 55 -3.146 3.152 -8.469 1.00 0.00 C ATOM 834 CG ASP A 55 -2.131 3.481 -9.546 1.00 0.00 C ATOM 835 OD1 ASP A 55 -1.650 4.633 -9.578 1.00 0.00 O ATOM 836 OD2 ASP A 55 -1.817 2.586 -10.359 1.00 0.00 O ATOM 0 H ASP A 55 -2.828 3.876 -6.096 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.578 5.260 -8.519 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.658 2.590 -7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.919 2.507 -8.887 1.00 0.00 H new ATOM 841 N GLN A 56 -5.771 3.474 -6.821 1.00 0.00 N ATOM 842 CA GLN A 56 -7.196 3.217 -6.653 1.00 0.00 C ATOM 843 C GLN A 56 -7.974 4.520 -6.511 1.00 0.00 C ATOM 844 O GLN A 56 -9.170 4.575 -6.797 1.00 0.00 O ATOM 845 CB GLN A 56 -7.433 2.333 -5.428 1.00 0.00 C ATOM 846 CG GLN A 56 -7.472 0.848 -5.749 1.00 0.00 C ATOM 847 CD GLN A 56 -6.091 0.267 -5.981 1.00 0.00 C ATOM 848 OE1 GLN A 56 -5.784 -0.218 -7.071 1.00 0.00 O ATOM 849 NE2 GLN A 56 -5.250 0.312 -4.954 1.00 0.00 N ATOM 0 H GLN A 56 -5.178 3.036 -6.116 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.553 2.699 -7.543 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.645 2.518 -4.698 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -8.374 2.620 -4.960 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.954 0.315 -4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.084 0.688 -6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.547 0.723 -4.069 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.307 -0.065 -5.050 1.00 0.00 H new ATOM 858 N GLY A 57 -7.290 5.569 -6.067 1.00 0.00 N ATOM 859 CA GLY A 57 -7.935 6.857 -5.893 1.00 0.00 C ATOM 860 C GLY A 57 -7.978 7.292 -4.442 1.00 0.00 C ATOM 861 O GLY A 57 -8.030 8.486 -4.147 1.00 0.00 O ATOM 0 H GLY A 57 -6.299 5.550 -5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.404 7.608 -6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.951 6.807 -6.284 1.00 0.00 H new ATOM 865 N GLY A 58 -7.959 6.321 -3.534 1.00 0.00 N ATOM 866 CA GLY A 58 -7.993 6.631 -2.116 1.00 0.00 C ATOM 867 C GLY A 58 -8.529 5.491 -1.280 1.00 0.00 C ATOM 868 O GLY A 58 -8.704 4.378 -1.776 1.00 0.00 O ATOM 0 H GLY A 58 -7.921 5.326 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.987 6.881 -1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.611 7.514 -1.957 1.00 0.00 H new ATOM 872 N LEU A 59 -8.772 5.762 -0.003 1.00 0.00 N ATOM 873 CA LEU A 59 -9.278 4.750 0.904 1.00 0.00 C ATOM 874 C LEU A 59 -10.789 4.645 0.790 1.00 0.00 C ATOM 875 O LEU A 59 -11.328 3.579 0.495 1.00 0.00 O ATOM 876 CB LEU A 59 -8.881 5.107 2.326 1.00 0.00 C ATOM 877 CG LEU A 59 -7.783 4.227 2.904 1.00 0.00 C ATOM 878 CD1 LEU A 59 -6.559 4.318 2.021 1.00 0.00 C ATOM 879 CD2 LEU A 59 -7.457 4.639 4.326 1.00 0.00 C ATOM 0 H LEU A 59 -8.625 6.677 0.424 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.848 3.784 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.550 6.145 2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.761 5.039 2.966 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.127 3.193 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.768 3.689 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.809 3.979 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.216 5.352 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.669 3.996 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.119 5.675 4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.348 4.542 4.946 1.00 0.00 H new ATOM 891 N GLU A 60 -11.464 5.777 0.958 1.00 0.00 N ATOM 892 CA GLU A 60 -12.901 5.830 0.744 1.00 0.00 C ATOM 893 C GLU A 60 -13.171 5.546 -0.725 1.00 0.00 C ATOM 894 O GLU A 60 -14.190 4.962 -1.091 1.00 0.00 O ATOM 895 CB GLU A 60 -13.459 7.201 1.136 1.00 0.00 C ATOM 896 CG GLU A 60 -12.909 8.346 0.300 1.00 0.00 C ATOM 897 CD GLU A 60 -13.998 9.125 -0.411 1.00 0.00 C ATOM 898 OE1 GLU A 60 -14.679 9.933 0.253 1.00 0.00 O ATOM 899 OE2 GLU A 60 -14.167 8.928 -1.633 1.00 0.00 O ATOM 0 H GLU A 60 -11.042 6.662 1.239 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.396 5.085 1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.545 7.182 1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.234 7.388 2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.345 9.022 0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.211 7.950 -0.437 1.00 0.00 H new ATOM 906 N ALA A 61 -12.200 5.925 -1.555 1.00 0.00 N ATOM 907 CA ALA A 61 -12.246 5.669 -2.978 1.00 0.00 C ATOM 908 C ALA A 61 -12.265 4.165 -3.233 1.00 0.00 C ATOM 909 O ALA A 61 -12.869 3.691 -4.196 1.00 0.00 O ATOM 910 CB ALA A 61 -11.039 6.322 -3.638 1.00 0.00 C ATOM 0 H ALA A 61 -11.361 6.419 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.154 6.094 -3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.065 6.134 -4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.062 7.397 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.124 5.903 -3.219 1.00 0.00 H new ATOM 916 N VAL A 62 -11.608 3.422 -2.344 1.00 0.00 N ATOM 917 CA VAL A 62 -11.566 1.966 -2.428 1.00 0.00 C ATOM 918 C VAL A 62 -12.817 1.361 -1.791 1.00 0.00 C ATOM 919 O VAL A 62 -13.431 0.450 -2.345 1.00 0.00 O ATOM 920 CB VAL A 62 -10.299 1.403 -1.738 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.354 -0.117 -1.613 1.00 0.00 C ATOM 922 CG2 VAL A 62 -9.052 1.829 -2.499 1.00 0.00 C ATOM 0 H VAL A 62 -11.095 3.809 -1.552 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.533 1.692 -3.483 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.258 1.815 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.448 -0.475 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.223 -0.402 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.430 -0.561 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.168 1.427 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.101 1.449 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.992 2.917 -2.520 1.00 0.00 H new ATOM 932 N ARG A 63 -13.185 1.877 -0.621 1.00 0.00 N ATOM 933 CA ARG A 63 -14.359 1.390 0.095 1.00 0.00 C ATOM 934 C ARG A 63 -15.575 1.352 -0.821 1.00 0.00 C ATOM 935 O ARG A 63 -16.347 0.393 -0.806 1.00 0.00 O ATOM 936 CB ARG A 63 -14.646 2.278 1.307 1.00 0.00 C ATOM 937 CG ARG A 63 -13.512 2.310 2.318 1.00 0.00 C ATOM 938 CD ARG A 63 -14.036 2.421 3.741 1.00 0.00 C ATOM 939 NE ARG A 63 -13.760 3.731 4.324 1.00 0.00 N ATOM 940 CZ ARG A 63 -14.365 4.195 5.412 1.00 0.00 C ATOM 941 NH1 ARG A 63 -15.276 3.458 6.033 1.00 0.00 N ATOM 942 NH2 ARG A 63 -14.059 5.398 5.881 1.00 0.00 N ATOM 0 H ARG A 63 -12.687 2.632 -0.149 1.00 0.00 H new ATOM 0 HA ARG A 63 -14.152 0.376 0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.845 3.293 0.964 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -15.552 1.925 1.800 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.911 1.406 2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.856 3.154 2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -15.111 2.241 3.747 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.579 1.646 4.357 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.064 4.323 3.871 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.514 2.533 5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.739 3.816 6.868 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.359 5.968 5.406 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.524 5.753 6.716 1.00 0.00 H new ATOM 956 N GLN A 64 -15.739 2.400 -1.624 1.00 0.00 N ATOM 957 CA GLN A 64 -16.858 2.480 -2.555 1.00 0.00 C ATOM 958 C GLN A 64 -16.962 1.206 -3.387 1.00 0.00 C ATOM 959 O GLN A 64 -18.054 0.686 -3.615 1.00 0.00 O ATOM 960 CB GLN A 64 -16.693 3.690 -3.477 1.00 0.00 C ATOM 961 CG GLN A 64 -17.260 4.977 -2.902 1.00 0.00 C ATOM 962 CD GLN A 64 -16.693 6.213 -3.572 1.00 0.00 C ATOM 963 OE1 GLN A 64 -16.950 6.468 -4.749 1.00 0.00 O ATOM 964 NE2 GLN A 64 -15.914 6.988 -2.826 1.00 0.00 N ATOM 0 H GLN A 64 -15.112 3.204 -1.648 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.775 2.593 -1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.633 3.833 -3.689 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.183 3.481 -4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -18.344 4.973 -3.012 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -17.048 5.018 -1.834 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.727 6.739 -1.855 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.503 7.832 -3.224 1.00 0.00 H new ATOM 973 N GLU A 65 -15.814 0.712 -3.842 1.00 0.00 N ATOM 974 CA GLU A 65 -15.767 -0.501 -4.648 1.00 0.00 C ATOM 975 C GLU A 65 -15.740 -1.744 -3.765 1.00 0.00 C ATOM 976 O GLU A 65 -16.362 -2.758 -4.081 1.00 0.00 O ATOM 977 CB GLU A 65 -14.537 -0.482 -5.559 1.00 0.00 C ATOM 978 CG GLU A 65 -14.370 -1.749 -6.381 1.00 0.00 C ATOM 979 CD GLU A 65 -14.196 -1.466 -7.860 1.00 0.00 C ATOM 980 OE1 GLU A 65 -14.692 -0.420 -8.327 1.00 0.00 O ATOM 981 OE2 GLU A 65 -13.562 -2.291 -8.551 1.00 0.00 O ATOM 0 H GLU A 65 -14.903 1.135 -3.665 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.668 -0.535 -5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -14.607 0.372 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.646 -0.334 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.505 -2.303 -6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -15.241 -2.388 -6.237 1.00 0.00 H new ATOM 988 N MET A 66 -15.006 -1.662 -2.659 1.00 0.00 N ATOM 989 CA MET A 66 -14.890 -2.783 -1.732 1.00 0.00 C ATOM 990 C MET A 66 -16.251 -3.171 -1.160 1.00 0.00 C ATOM 991 O MET A 66 -16.434 -4.289 -0.679 1.00 0.00 O ATOM 992 CB MET A 66 -13.929 -2.434 -0.595 1.00 0.00 C ATOM 993 CG MET A 66 -12.601 -3.170 -0.672 1.00 0.00 C ATOM 994 SD MET A 66 -12.615 -4.730 0.231 1.00 0.00 S ATOM 995 CE MET A 66 -10.898 -5.217 0.092 1.00 0.00 C ATOM 0 H MET A 66 -14.483 -0.831 -2.383 1.00 0.00 H new ATOM 0 HA MET A 66 -14.497 -3.635 -2.286 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.741 -1.360 -0.606 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.407 -2.664 0.357 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.357 -3.362 -1.717 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.813 -2.531 -0.273 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.747 -6.168 0.603 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.634 -5.325 -0.960 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.266 -4.455 0.548 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.714 -6.204 -6.749 1.00 0.00 N ATOM 1182 CA LEU A 81 -7.733 -5.148 -6.533 1.00 0.00 C ATOM 1183 C LEU A 81 -6.634 -5.616 -5.588 1.00 0.00 C ATOM 1184 O LEU A 81 -5.503 -5.131 -5.644 1.00 0.00 O ATOM 1185 CB LEU A 81 -8.413 -3.899 -5.965 1.00 0.00 C ATOM 1186 CG LEU A 81 -9.459 -4.169 -4.883 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -9.266 -3.222 -3.709 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.863 -4.037 -5.455 1.00 0.00 C ATOM 0 HA LEU A 81 -7.282 -4.902 -7.494 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.647 -3.242 -5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.889 -3.359 -6.783 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.330 -5.190 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.019 -3.428 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.272 -3.366 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.368 -2.192 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.595 -4.232 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.005 -3.028 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.996 -4.756 -6.263 1.00 0.00 H new ATOM 1200 N VAL A 82 -6.972 -6.564 -4.719 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.011 -7.103 -3.764 1.00 0.00 C ATOM 1202 C VAL A 82 -4.807 -7.701 -4.482 1.00 0.00 C ATOM 1203 O VAL A 82 -3.662 -7.460 -4.101 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.649 -8.181 -2.869 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.640 -8.704 -1.859 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -7.883 -7.634 -2.167 1.00 0.00 C ATOM 0 H VAL A 82 -7.904 -6.974 -4.657 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.685 -6.272 -3.138 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.959 -9.013 -3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.110 -9.465 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.791 -9.140 -2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.295 -7.883 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.319 -8.411 -1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.602 -6.783 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.614 -7.316 -2.911 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.074 -8.483 -5.524 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.002 -9.100 -6.281 1.00 0.00 C ATOM 1218 C GLY A 83 -2.989 -8.089 -6.777 1.00 0.00 C ATOM 1219 O GLY A 83 -1.784 -8.340 -6.750 1.00 0.00 O ATOM 0 H GLY A 83 -6.014 -8.700 -5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.499 -9.838 -5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.423 -9.636 -7.132 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.480 -6.939 -7.230 1.00 0.00 N ATOM 1224 CA ALA A 84 -2.610 -5.881 -7.729 1.00 0.00 C ATOM 1225 C ALA A 84 -1.573 -5.493 -6.681 1.00 0.00 C ATOM 1226 O ALA A 84 -0.407 -5.261 -7.002 1.00 0.00 O ATOM 1227 CB ALA A 84 -3.434 -4.669 -8.136 1.00 0.00 C ATOM 0 H ALA A 84 -4.475 -6.717 -7.261 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.083 -6.256 -8.606 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.772 -3.887 -8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.135 -4.953 -8.921 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.986 -4.298 -7.273 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.004 -5.430 -5.426 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.113 -5.081 -4.326 1.00 0.00 C ATOM 1235 C LEU A 85 -0.067 -6.170 -4.114 1.00 0.00 C ATOM 1236 O LEU A 85 1.053 -5.893 -3.684 1.00 0.00 O ATOM 1237 CB LEU A 85 -1.922 -4.864 -3.041 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.105 -4.837 -1.745 1.00 0.00 C ATOM 1239 CD1 LEU A 85 0.162 -4.017 -1.926 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -1.942 -4.286 -0.601 1.00 0.00 C ATOM 0 H LEU A 85 -2.967 -5.616 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.597 -4.155 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.464 -3.922 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.668 -5.655 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.816 -5.859 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.727 -4.011 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.770 -4.457 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.102 -2.995 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.347 -4.274 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.262 -3.272 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.818 -4.917 -0.454 1.00 0.00 H new ATOM 1252 N MET A 86 -0.436 -7.408 -4.426 1.00 0.00 N ATOM 1253 CA MET A 86 0.473 -8.537 -4.278 1.00 0.00 C ATOM 1254 C MET A 86 1.657 -8.408 -5.230 1.00 0.00 C ATOM 1255 O MET A 86 2.806 -8.616 -4.841 1.00 0.00 O ATOM 1256 CB MET A 86 -0.266 -9.851 -4.542 1.00 0.00 C ATOM 1257 CG MET A 86 -1.366 -10.143 -3.535 1.00 0.00 C ATOM 1258 SD MET A 86 -2.177 -11.726 -3.830 1.00 0.00 S ATOM 1259 CE MET A 86 -3.895 -11.274 -3.594 1.00 0.00 C ATOM 0 H MET A 86 -1.359 -7.654 -4.783 1.00 0.00 H new ATOM 0 HA MET A 86 0.849 -8.538 -3.255 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.699 -9.820 -5.542 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.452 -10.671 -4.531 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.944 -10.137 -2.530 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.109 -9.346 -3.573 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.525 -11.896 -4.230 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.171 -11.425 -2.550 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.035 -10.226 -3.858 1.00 0.00 H new ATOM 1269 N HIS A 87 1.368 -8.059 -6.480 1.00 0.00 N ATOM 1270 CA HIS A 87 2.408 -7.897 -7.488 1.00 0.00 C ATOM 1271 C HIS A 87 3.367 -6.776 -7.104 1.00 0.00 C ATOM 1272 O HIS A 87 4.585 -6.929 -7.190 1.00 0.00 O ATOM 1273 CB HIS A 87 1.782 -7.602 -8.853 1.00 0.00 C ATOM 1274 CG HIS A 87 2.624 -8.055 -10.004 1.00 0.00 C ATOM 1275 ND1 HIS A 87 2.137 -8.185 -11.288 1.00 0.00 N ATOM 1276 CD2 HIS A 87 3.929 -8.410 -10.060 1.00 0.00 C ATOM 1277 CE1 HIS A 87 3.107 -8.600 -12.084 1.00 0.00 C ATOM 1278 NE2 HIS A 87 4.203 -8.744 -11.363 1.00 0.00 N ATOM 0 H HIS A 87 0.422 -7.883 -6.818 1.00 0.00 H new ATOM 0 HA HIS A 87 2.971 -8.829 -7.547 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.809 -8.089 -8.911 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.607 -6.530 -8.940 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.625 -8.427 -9.234 1.00 0.00 H new ATOM 0 HE1 HIS A 87 3.018 -8.789 -13.144 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.108 -9.054 -11.717 1.00 0.00 H new ATOM 1287 N VAL A 88 2.808 -5.647 -6.681 1.00 0.00 N ATOM 1288 CA VAL A 88 3.614 -4.499 -6.281 1.00 0.00 C ATOM 1289 C VAL A 88 4.494 -4.833 -5.080 1.00 0.00 C ATOM 1290 O VAL A 88 5.500 -4.167 -4.832 1.00 0.00 O ATOM 1291 CB VAL A 88 2.731 -3.287 -5.935 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.591 -2.092 -5.553 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.814 -2.944 -7.099 1.00 0.00 C ATOM 0 H VAL A 88 1.801 -5.502 -6.606 1.00 0.00 H new ATOM 0 HA VAL A 88 4.248 -4.247 -7.131 1.00 0.00 H new ATOM 0 HB VAL A 88 2.109 -3.546 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.950 -1.244 -5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.200 -2.345 -4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.240 -1.829 -6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.197 -2.085 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.414 -2.704 -7.977 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.172 -3.797 -7.320 1.00 0.00 H new ATOM 1303 N MET A 89 4.110 -5.865 -4.333 1.00 0.00 N ATOM 1304 CA MET A 89 4.870 -6.285 -3.162 1.00 0.00 C ATOM 1305 C MET A 89 6.030 -7.187 -3.565 1.00 0.00 C ATOM 1306 O MET A 89 7.037 -7.272 -2.863 1.00 0.00 O ATOM 1307 CB MET A 89 3.959 -7.017 -2.175 1.00 0.00 C ATOM 1308 CG MET A 89 3.569 -6.177 -0.969 1.00 0.00 C ATOM 1309 SD MET A 89 4.930 -5.953 0.191 1.00 0.00 S ATOM 1310 CE MET A 89 5.372 -4.248 -0.133 1.00 0.00 C ATOM 0 H MET A 89 3.278 -6.425 -4.519 1.00 0.00 H new ATOM 0 HA MET A 89 5.275 -5.394 -2.681 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.055 -7.334 -2.694 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.462 -7.921 -1.831 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.221 -5.201 -1.308 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.733 -6.652 -0.455 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.323 -4.213 -0.665 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.598 -3.781 -0.742 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.464 -3.710 0.811 1.00 0.00 H new ATOM 1320 N GLN A 90 5.881 -7.858 -4.703 1.00 0.00 N ATOM 1321 CA GLN A 90 6.917 -8.755 -5.199 1.00 0.00 C ATOM 1322 C GLN A 90 8.107 -7.968 -5.734 1.00 0.00 C ATOM 1323 O GLN A 90 9.250 -8.420 -5.653 1.00 0.00 O ATOM 1324 CB GLN A 90 6.353 -9.661 -6.296 1.00 0.00 C ATOM 1325 CG GLN A 90 5.219 -10.556 -5.823 1.00 0.00 C ATOM 1326 CD GLN A 90 5.490 -12.025 -6.077 1.00 0.00 C ATOM 1327 OE1 GLN A 90 6.511 -12.388 -6.662 1.00 0.00 O ATOM 1328 NE2 GLN A 90 4.575 -12.880 -5.637 1.00 0.00 N ATOM 0 H GLN A 90 5.054 -7.797 -5.297 1.00 0.00 H new ATOM 0 HA GLN A 90 7.258 -9.372 -4.368 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.997 -9.042 -7.119 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.156 -10.284 -6.690 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.058 -10.399 -4.756 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.298 -10.267 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.744 -12.535 -5.157 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.703 -13.882 -5.779 1.00 0.00 H new ATOM 1337 N LYS A 91 7.832 -6.788 -6.279 1.00 0.00 N ATOM 1338 CA LYS A 91 8.881 -5.934 -6.824 1.00 0.00 C ATOM 1339 C LYS A 91 9.833 -5.476 -5.724 1.00 0.00 C ATOM 1340 O LYS A 91 11.010 -5.218 -5.974 1.00 0.00 O ATOM 1341 CB LYS A 91 8.267 -4.718 -7.518 1.00 0.00 C ATOM 1342 CG LYS A 91 9.196 -4.058 -8.523 1.00 0.00 C ATOM 1343 CD LYS A 91 9.711 -5.055 -9.547 1.00 0.00 C ATOM 1344 CE LYS A 91 10.050 -4.376 -10.864 1.00 0.00 C ATOM 1345 NZ LYS A 91 11.412 -4.740 -11.342 1.00 0.00 N ATOM 0 H LYS A 91 6.891 -6.401 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 91 9.446 -6.514 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.353 -5.024 -8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.982 -3.985 -6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.668 -3.252 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.038 -3.606 -7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.597 -5.555 -9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.959 -5.825 -9.717 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.314 -4.657 -11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.985 -3.295 -10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.605 -4.257 -12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.117 -4.449 -10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.467 -5.769 -11.483 1.00 0.00 H new ATOM 1359 N ARG A 92 9.314 -5.378 -4.505 1.00 0.00 N ATOM 1360 CA ARG A 92 10.113 -4.949 -3.364 1.00 0.00 C ATOM 1361 C ARG A 92 11.392 -5.773 -3.252 1.00 0.00 C ATOM 1362 O ARG A 92 12.486 -5.224 -3.119 1.00 0.00 O ATOM 1363 CB ARG A 92 9.301 -5.070 -2.073 1.00 0.00 C ATOM 1364 CG ARG A 92 9.487 -3.896 -1.124 1.00 0.00 C ATOM 1365 CD ARG A 92 10.951 -3.689 -0.774 1.00 0.00 C ATOM 1366 NE ARG A 92 11.168 -2.437 -0.055 1.00 0.00 N ATOM 1367 CZ ARG A 92 12.366 -2.001 0.323 1.00 0.00 C ATOM 1368 NH1 ARG A 92 13.450 -2.714 0.050 1.00 0.00 N ATOM 1369 NH2 ARG A 92 12.480 -0.852 0.974 1.00 0.00 N ATOM 0 H ARG A 92 8.342 -5.590 -4.282 1.00 0.00 H new ATOM 0 HA ARG A 92 10.388 -3.905 -3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.244 -5.158 -2.325 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.584 -5.989 -1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.090 -2.990 -1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 92 8.915 -4.069 -0.213 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.300 -4.523 -0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.546 -3.691 -1.687 1.00 0.00 H new ATOM 0 HE ARG A 92 10.355 -1.864 0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.366 -3.599 -0.451 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.368 -2.378 0.341 1.00 0.00 H new ATOM 0 HH21 ARG A 92 11.648 -0.301 1.186 1.00 0.00 H new ATOM 0 HH22 ARG A 92 13.400 -0.519 1.263 1.00 0.00 H new ATOM 1383 N SER A 93 11.245 -7.093 -3.300 1.00 0.00 N ATOM 1384 CA SER A 93 12.388 -7.992 -3.203 1.00 0.00 C ATOM 1385 C SER A 93 13.314 -7.828 -4.403 1.00 0.00 C ATOM 1386 O SER A 93 14.525 -8.025 -4.297 1.00 0.00 O ATOM 1387 CB SER A 93 11.915 -9.443 -3.104 1.00 0.00 C ATOM 1388 OG SER A 93 12.903 -10.263 -2.503 1.00 0.00 O ATOM 0 H SER A 93 10.346 -7.563 -3.405 1.00 0.00 H new ATOM 0 HA SER A 93 12.944 -7.736 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 93 10.995 -9.490 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 93 11.681 -9.821 -4.099 1.00 0.00 H new ATOM 0 HG SER A 93 12.575 -11.185 -2.450 1.00 0.00 H new