USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 542 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 34 GLN : amide:sc=-0.00394 K(o=-0.0039,f=-0.87) USER MOD Single : A 36 SER OG : rot -60:sc= 1.23 USER MOD Single : A 42 THR OG1 : rot 75:sc= 0.918 USER MOD Single : A 44 CYS SG : rot 107:sc= -0.981 USER MOD Single : A 46 SER OG : rot -30:sc= 0.197 USER MOD Single : A 47 THR OG1 : rot -49:sc= 1.21 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0614 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.86! USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 63 ASN : amide:sc= -0.743 X(o=-0.74,f=-0.64) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 78 CYS SG : rot 85:sc= 0.697 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 82 CYS SG : rot 71:sc= 0.322 USER MOD Single : A 87 ASN : amide:sc= -0.0125 K(o=-0.012,f=-1.7) USER MOD Single : A 88 LYS NZ :NH3+ -151:sc= -2.11! (180deg=-3.34!) USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= 0.0948 (180deg=-0.321) USER MOD Single : A 93 LYS NZ :NH3+ 160:sc= -0.194 (180deg=-0.671) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= -0.0346 (180deg=-0.335) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -6.850 -6.245 8.414 1.00 0.00 N ATOM 143 CA GLN A 34 -6.463 -7.588 8.832 1.00 0.00 C ATOM 144 C GLN A 34 -5.452 -8.198 7.866 1.00 0.00 C ATOM 145 O GLN A 34 -5.146 -9.388 7.942 1.00 0.00 O ATOM 146 CB GLN A 34 -7.697 -8.488 8.935 1.00 0.00 C ATOM 147 CG GLN A 34 -8.707 -8.015 9.967 1.00 0.00 C ATOM 148 CD GLN A 34 -9.855 -8.989 10.152 1.00 0.00 C ATOM 149 OE1 GLN A 34 -9.696 -10.197 9.973 1.00 0.00 O ATOM 150 NE2 GLN A 34 -11.022 -8.466 10.513 1.00 0.00 N ATOM 0 HA GLN A 34 -5.993 -7.511 9.812 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.182 -8.539 7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.379 -9.500 9.186 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.203 -7.868 10.922 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.103 -7.046 9.664 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.109 -7.459 10.650 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.831 -9.072 10.653 1.00 0.00 H new ATOM 159 N TRP A 35 -4.931 -7.375 6.960 1.00 0.00 N ATOM 160 CA TRP A 35 -3.949 -7.838 5.984 1.00 0.00 C ATOM 161 C TRP A 35 -2.604 -8.107 6.646 1.00 0.00 C ATOM 162 O TRP A 35 -2.250 -7.471 7.640 1.00 0.00 O ATOM 163 CB TRP A 35 -3.773 -6.805 4.866 1.00 0.00 C ATOM 164 CG TRP A 35 -4.758 -6.942 3.743 1.00 0.00 C ATOM 165 CD1 TRP A 35 -5.765 -7.861 3.630 1.00 0.00 C ATOM 166 CD2 TRP A 35 -4.824 -6.131 2.565 1.00 0.00 C ATOM 167 NE1 TRP A 35 -6.451 -7.667 2.456 1.00 0.00 N ATOM 168 CE2 TRP A 35 -5.894 -6.610 1.785 1.00 0.00 C ATOM 169 CE3 TRP A 35 -4.083 -5.042 2.095 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.239 -6.039 0.563 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.427 -4.477 0.882 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.495 -4.976 0.127 1.00 0.00 C ATOM 0 H TRP A 35 -5.172 -6.387 6.881 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.321 -8.769 5.557 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.862 -5.806 5.292 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.764 -6.891 4.462 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -5.988 -8.627 4.358 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.246 -8.220 2.136 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.257 -4.650 2.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.064 -6.421 -0.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.862 -3.635 0.510 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.737 -4.513 -0.818 1.00 0.00 H new ATOM 183 N SER A 36 -1.856 -9.054 6.089 1.00 0.00 N ATOM 184 CA SER A 36 -0.544 -9.403 6.617 1.00 0.00 C ATOM 185 C SER A 36 0.555 -8.777 5.767 1.00 0.00 C ATOM 186 O SER A 36 0.282 -7.971 4.880 1.00 0.00 O ATOM 187 CB SER A 36 -0.370 -10.923 6.663 1.00 0.00 C ATOM 188 OG SER A 36 -0.387 -11.478 5.360 1.00 0.00 O ATOM 0 H SER A 36 -2.138 -9.594 5.271 1.00 0.00 H new ATOM 0 HA SER A 36 -0.469 -9.012 7.632 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.571 -11.170 7.154 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.167 -11.365 7.260 1.00 0.00 H new ATOM 0 HG SER A 36 -1.243 -11.274 4.929 1.00 0.00 H new ATOM 194 N VAL A 37 1.798 -9.155 6.042 1.00 0.00 N ATOM 195 CA VAL A 37 2.939 -8.627 5.304 1.00 0.00 C ATOM 196 C VAL A 37 2.839 -8.953 3.815 1.00 0.00 C ATOM 197 O VAL A 37 2.929 -8.064 2.970 1.00 0.00 O ATOM 198 CB VAL A 37 4.266 -9.184 5.854 1.00 0.00 C ATOM 199 CG1 VAL A 37 5.447 -8.654 5.055 1.00 0.00 C ATOM 200 CG2 VAL A 37 4.418 -8.840 7.328 1.00 0.00 C ATOM 0 H VAL A 37 2.041 -9.826 6.771 1.00 0.00 H new ATOM 0 HA VAL A 37 2.924 -7.545 5.433 1.00 0.00 H new ATOM 0 HB VAL A 37 4.249 -10.269 5.753 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.373 -9.061 5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.345 -8.955 4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.470 -7.566 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.361 -9.241 7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.411 -7.757 7.452 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.592 -9.275 7.890 1.00 0.00 H new ATOM 210 N ASP A 38 2.646 -10.231 3.504 1.00 0.00 N ATOM 211 CA ASP A 38 2.544 -10.680 2.117 1.00 0.00 C ATOM 212 C ASP A 38 1.409 -9.978 1.373 1.00 0.00 C ATOM 213 O ASP A 38 1.558 -9.609 0.208 1.00 0.00 O ATOM 214 CB ASP A 38 2.335 -12.195 2.067 1.00 0.00 C ATOM 215 CG ASP A 38 2.090 -12.700 0.658 1.00 0.00 C ATOM 216 OD1 ASP A 38 3.078 -12.987 -0.050 1.00 0.00 O ATOM 217 OD2 ASP A 38 0.909 -12.806 0.263 1.00 0.00 O ATOM 0 H ASP A 38 2.557 -10.976 4.194 1.00 0.00 H new ATOM 0 HA ASP A 38 3.480 -10.422 1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.211 -12.694 2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.488 -12.463 2.698 1.00 0.00 H new ATOM 222 N ASP A 39 0.279 -9.796 2.048 1.00 0.00 N ATOM 223 CA ASP A 39 -0.882 -9.150 1.440 1.00 0.00 C ATOM 224 C ASP A 39 -0.571 -7.724 0.990 1.00 0.00 C ATOM 225 O ASP A 39 -0.845 -7.354 -0.151 1.00 0.00 O ATOM 226 CB ASP A 39 -2.058 -9.144 2.418 1.00 0.00 C ATOM 227 CG ASP A 39 -2.669 -10.520 2.595 1.00 0.00 C ATOM 228 OD1 ASP A 39 -2.166 -11.289 3.440 1.00 0.00 O ATOM 229 OD2 ASP A 39 -3.650 -10.829 1.887 1.00 0.00 O ATOM 0 H ASP A 39 0.141 -10.086 3.016 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.149 -9.727 0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.721 -8.772 3.385 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.822 -8.454 2.060 1.00 0.00 H new ATOM 234 N VAL A 40 -0.004 -6.926 1.890 1.00 0.00 N ATOM 235 CA VAL A 40 0.330 -5.538 1.582 1.00 0.00 C ATOM 236 C VAL A 40 1.311 -5.438 0.416 1.00 0.00 C ATOM 237 O VAL A 40 1.156 -4.591 -0.465 1.00 0.00 O ATOM 238 CB VAL A 40 0.932 -4.821 2.807 1.00 0.00 C ATOM 239 CG1 VAL A 40 1.258 -3.372 2.476 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.018 -4.902 3.991 1.00 0.00 C ATOM 0 H VAL A 40 0.234 -7.216 2.838 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.604 -5.051 1.301 1.00 0.00 H new ATOM 0 HB VAL A 40 1.861 -5.324 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.682 -2.885 3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.979 -3.339 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.347 -2.853 2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.423 -4.391 4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.964 -4.426 3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.195 -5.947 4.244 1.00 0.00 H new ATOM 250 N ILE A 41 2.317 -6.306 0.416 1.00 0.00 N ATOM 251 CA ILE A 41 3.330 -6.306 -0.636 1.00 0.00 C ATOM 252 C ILE A 41 2.730 -6.633 -2.001 1.00 0.00 C ATOM 253 O ILE A 41 2.965 -5.922 -2.977 1.00 0.00 O ATOM 254 CB ILE A 41 4.454 -7.314 -0.329 1.00 0.00 C ATOM 255 CG1 ILE A 41 5.073 -7.020 1.039 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.517 -7.268 -1.419 1.00 0.00 C ATOM 257 CD1 ILE A 41 6.015 -8.101 1.522 1.00 0.00 C ATOM 0 H ILE A 41 2.454 -7.019 1.132 1.00 0.00 H new ATOM 0 HA ILE A 41 3.744 -5.298 -0.665 1.00 0.00 H new ATOM 0 HB ILE A 41 4.027 -8.317 -0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.613 -6.075 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.275 -6.892 1.770 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.305 -7.985 -1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.065 -7.520 -2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.942 -6.266 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.416 -7.825 2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.475 -9.044 1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.834 -8.214 0.812 1.00 0.00 H new ATOM 269 N THR A 42 1.962 -7.716 -2.065 1.00 0.00 N ATOM 270 CA THR A 42 1.343 -8.140 -3.315 1.00 0.00 C ATOM 271 C THR A 42 0.478 -7.035 -3.917 1.00 0.00 C ATOM 272 O THR A 42 0.687 -6.629 -5.059 1.00 0.00 O ATOM 273 CB THR A 42 0.478 -9.401 -3.121 1.00 0.00 C ATOM 274 OG1 THR A 42 1.251 -10.435 -2.497 1.00 0.00 O ATOM 275 CG2 THR A 42 -0.058 -9.900 -4.456 1.00 0.00 C ATOM 0 H THR A 42 1.754 -8.315 -1.266 1.00 0.00 H new ATOM 0 HA THR A 42 2.160 -8.368 -3.999 1.00 0.00 H new ATOM 0 HB THR A 42 -0.365 -9.141 -2.481 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.369 -10.227 -1.547 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.665 -10.790 -4.294 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.668 -9.123 -4.916 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.776 -10.144 -5.114 1.00 0.00 H new ATOM 283 N TRP A 43 -0.495 -6.558 -3.144 1.00 0.00 N ATOM 284 CA TRP A 43 -1.389 -5.502 -3.611 1.00 0.00 C ATOM 285 C TRP A 43 -0.602 -4.276 -4.059 1.00 0.00 C ATOM 286 O TRP A 43 -0.922 -3.660 -5.077 1.00 0.00 O ATOM 287 CB TRP A 43 -2.378 -5.108 -2.512 1.00 0.00 C ATOM 288 CG TRP A 43 -3.248 -3.949 -2.896 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.316 -3.971 -3.745 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.116 -2.593 -2.452 1.00 0.00 C ATOM 291 NE1 TRP A 43 -4.855 -2.713 -3.858 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.137 -1.850 -3.073 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.234 -1.935 -1.588 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.301 -0.484 -2.858 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.398 -0.578 -1.376 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.424 0.134 -2.009 1.00 0.00 C ATOM 0 H TRP A 43 -0.684 -6.884 -2.196 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.943 -5.891 -4.466 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.008 -5.965 -2.273 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.826 -4.856 -1.607 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.684 -4.850 -4.254 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.659 -2.462 -4.433 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.440 -2.477 -1.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.092 0.068 -3.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.723 -0.059 -0.711 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.525 1.193 -1.823 1.00 0.00 H new ATOM 307 N CYS A 44 0.423 -3.923 -3.292 1.00 0.00 N ATOM 308 CA CYS A 44 1.257 -2.770 -3.612 1.00 0.00 C ATOM 309 C CYS A 44 1.826 -2.889 -5.021 1.00 0.00 C ATOM 310 O CYS A 44 1.433 -2.154 -5.924 1.00 0.00 O ATOM 311 CB CYS A 44 2.395 -2.644 -2.597 1.00 0.00 C ATOM 312 SG CYS A 44 3.596 -1.349 -2.989 1.00 0.00 S ATOM 0 H CYS A 44 0.697 -4.419 -2.444 1.00 0.00 H new ATOM 0 HA CYS A 44 0.636 -1.875 -3.565 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.970 -2.444 -1.614 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.916 -3.599 -2.531 1.00 0.00 H new ATOM 0 HG CYS A 44 3.440 -0.350 -2.172 1.00 0.00 H new ATOM 318 N ILE A 45 2.749 -3.829 -5.195 1.00 0.00 N ATOM 319 CA ILE A 45 3.389 -4.067 -6.485 1.00 0.00 C ATOM 320 C ILE A 45 2.360 -4.291 -7.593 1.00 0.00 C ATOM 321 O ILE A 45 2.620 -4.002 -8.762 1.00 0.00 O ATOM 322 CB ILE A 45 4.313 -5.298 -6.408 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.374 -5.103 -5.325 1.00 0.00 C ATOM 324 CG2 ILE A 45 4.965 -5.563 -7.754 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.097 -6.379 -4.950 1.00 0.00 C ATOM 0 H ILE A 45 3.074 -4.445 -4.450 1.00 0.00 H new ATOM 0 HA ILE A 45 3.972 -3.177 -6.723 1.00 0.00 H new ATOM 0 HB ILE A 45 3.708 -6.166 -6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.103 -4.370 -5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.901 -4.688 -4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.613 -6.436 -7.679 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.194 -5.747 -8.502 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.556 -4.696 -8.049 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.835 -6.165 -4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.378 -7.107 -4.574 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.599 -6.784 -5.828 1.00 0.00 H new ATOM 337 N SER A 46 1.192 -4.801 -7.218 1.00 0.00 N ATOM 338 CA SER A 46 0.131 -5.081 -8.180 1.00 0.00 C ATOM 339 C SER A 46 -0.328 -3.819 -8.909 1.00 0.00 C ATOM 340 O SER A 46 -1.036 -3.903 -9.913 1.00 0.00 O ATOM 341 CB SER A 46 -1.060 -5.734 -7.478 1.00 0.00 C ATOM 342 OG SER A 46 -2.092 -6.041 -8.400 1.00 0.00 O ATOM 0 H SER A 46 0.955 -5.030 -6.253 1.00 0.00 H new ATOM 0 HA SER A 46 0.539 -5.766 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.735 -6.645 -6.975 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.444 -5.065 -6.708 1.00 0.00 H new ATOM 0 HG SER A 46 -2.073 -5.397 -9.138 1.00 0.00 H new ATOM 348 N THR A 47 0.076 -2.652 -8.411 1.00 0.00 N ATOM 349 CA THR A 47 -0.319 -1.392 -9.034 1.00 0.00 C ATOM 350 C THR A 47 0.564 -0.229 -8.588 1.00 0.00 C ATOM 351 O THR A 47 0.178 0.933 -8.722 1.00 0.00 O ATOM 352 CB THR A 47 -1.788 -1.050 -8.709 1.00 0.00 C ATOM 353 OG1 THR A 47 -2.178 0.153 -9.385 1.00 0.00 O ATOM 354 CG2 THR A 47 -1.988 -0.881 -7.208 1.00 0.00 C ATOM 0 H THR A 47 0.670 -2.553 -7.588 1.00 0.00 H new ATOM 0 HA THR A 47 -0.200 -1.531 -10.108 1.00 0.00 H new ATOM 0 HB THR A 47 -2.411 -1.876 -9.053 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.506 0.849 -9.228 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.032 -0.640 -7.005 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.724 -1.808 -6.699 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.352 -0.074 -6.845 1.00 0.00 H new ATOM 362 N LEU A 48 1.754 -0.530 -8.076 1.00 0.00 N ATOM 363 CA LEU A 48 2.651 0.523 -7.614 1.00 0.00 C ATOM 364 C LEU A 48 3.499 1.067 -8.759 1.00 0.00 C ATOM 365 O LEU A 48 3.288 2.191 -9.217 1.00 0.00 O ATOM 366 CB LEU A 48 3.565 -0.014 -6.506 1.00 0.00 C ATOM 367 CG LEU A 48 3.972 0.997 -5.428 1.00 0.00 C ATOM 368 CD1 LEU A 48 4.797 2.127 -6.024 1.00 0.00 C ATOM 369 CD2 LEU A 48 2.741 1.545 -4.718 1.00 0.00 C ATOM 0 H LEU A 48 2.115 -1.478 -7.972 1.00 0.00 H new ATOM 0 HA LEU A 48 2.041 1.336 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.063 -0.851 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.470 -0.409 -6.967 1.00 0.00 H new ATOM 0 HG LEU A 48 4.591 0.480 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.073 2.830 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.700 1.718 -6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.211 2.644 -6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.049 2.261 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.094 2.041 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.198 0.726 -4.247 1.00 0.00 H new ATOM 381 N GLU A 49 4.455 0.268 -9.222 1.00 0.00 N ATOM 382 CA GLU A 49 5.324 0.684 -10.315 1.00 0.00 C ATOM 383 C GLU A 49 5.687 -0.483 -11.229 1.00 0.00 C ATOM 384 O GLU A 49 5.346 -0.489 -12.413 1.00 0.00 O ATOM 385 CB GLU A 49 6.594 1.335 -9.766 1.00 0.00 C ATOM 386 CG GLU A 49 6.395 2.777 -9.327 1.00 0.00 C ATOM 387 CD GLU A 49 5.981 3.684 -10.470 1.00 0.00 C ATOM 388 OE1 GLU A 49 6.873 4.170 -11.195 1.00 0.00 O ATOM 389 OE2 GLU A 49 4.763 3.909 -10.639 1.00 0.00 O ATOM 0 H GLU A 49 4.646 -0.666 -8.859 1.00 0.00 H new ATOM 0 HA GLU A 49 4.773 1.412 -10.910 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.954 0.752 -8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.370 1.300 -10.530 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.635 2.813 -8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.321 3.150 -8.889 1.00 0.00 H new ATOM 396 N VAL A 50 6.379 -1.469 -10.665 1.00 0.00 N ATOM 397 CA VAL A 50 6.825 -2.631 -11.426 1.00 0.00 C ATOM 398 C VAL A 50 6.106 -3.907 -10.995 1.00 0.00 C ATOM 399 O VAL A 50 5.064 -3.859 -10.343 1.00 0.00 O ATOM 400 CB VAL A 50 8.346 -2.834 -11.266 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.103 -1.622 -11.787 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.701 -3.104 -9.811 1.00 0.00 C ATOM 0 H VAL A 50 6.644 -1.486 -9.680 1.00 0.00 H new ATOM 0 HA VAL A 50 6.584 -2.434 -12.471 1.00 0.00 H new ATOM 0 HB VAL A 50 8.641 -3.702 -11.855 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.174 -1.783 -11.666 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.875 -1.477 -12.843 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.803 -0.737 -11.226 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.778 -3.244 -9.719 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.392 -2.257 -9.198 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.188 -4.004 -9.472 1.00 0.00 H new ATOM 412 N GLU A 51 6.678 -5.048 -11.375 1.00 0.00 N ATOM 413 CA GLU A 51 6.116 -6.349 -11.034 1.00 0.00 C ATOM 414 C GLU A 51 6.843 -6.942 -9.833 1.00 0.00 C ATOM 415 O GLU A 51 7.748 -6.317 -9.283 1.00 0.00 O ATOM 416 CB GLU A 51 6.223 -7.297 -12.229 1.00 0.00 C ATOM 417 CG GLU A 51 7.627 -7.382 -12.807 1.00 0.00 C ATOM 418 CD GLU A 51 7.741 -8.411 -13.915 1.00 0.00 C ATOM 419 OE1 GLU A 51 7.903 -9.609 -13.600 1.00 0.00 O ATOM 420 OE2 GLU A 51 7.667 -8.019 -15.099 1.00 0.00 O ATOM 0 H GLU A 51 7.537 -5.095 -11.923 1.00 0.00 H new ATOM 0 HA GLU A 51 5.065 -6.218 -10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.903 -8.293 -11.923 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.536 -6.967 -13.008 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.917 -6.405 -13.193 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.329 -7.631 -12.011 1.00 0.00 H new ATOM 427 N GLU A 52 6.443 -8.144 -9.421 1.00 0.00 N ATOM 428 CA GLU A 52 7.074 -8.792 -8.277 1.00 0.00 C ATOM 429 C GLU A 52 8.441 -9.351 -8.653 1.00 0.00 C ATOM 430 O GLU A 52 8.615 -10.561 -8.803 1.00 0.00 O ATOM 431 CB GLU A 52 6.182 -9.911 -7.737 1.00 0.00 C ATOM 432 CG GLU A 52 4.842 -9.422 -7.212 1.00 0.00 C ATOM 433 CD GLU A 52 3.977 -10.550 -6.687 1.00 0.00 C ATOM 434 OE1 GLU A 52 4.113 -10.897 -5.494 1.00 0.00 O ATOM 435 OE2 GLU A 52 3.164 -11.088 -7.467 1.00 0.00 O ATOM 0 H GLU A 52 5.694 -8.682 -9.857 1.00 0.00 H new ATOM 0 HA GLU A 52 7.210 -8.041 -7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.008 -10.640 -8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.709 -10.430 -6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.010 -8.697 -6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.311 -8.902 -8.009 1.00 0.00 H new ATOM 442 N THR A 53 9.405 -8.452 -8.810 1.00 0.00 N ATOM 443 CA THR A 53 10.769 -8.826 -9.153 1.00 0.00 C ATOM 444 C THR A 53 11.755 -7.925 -8.424 1.00 0.00 C ATOM 445 O THR A 53 12.764 -8.382 -7.888 1.00 0.00 O ATOM 446 CB THR A 53 11.022 -8.734 -10.671 1.00 0.00 C ATOM 447 OG1 THR A 53 10.866 -7.382 -11.114 1.00 0.00 O ATOM 448 CG2 THR A 53 10.064 -9.636 -11.433 1.00 0.00 C ATOM 0 H THR A 53 9.263 -7.448 -8.703 1.00 0.00 H new ATOM 0 HA THR A 53 10.912 -9.862 -8.845 1.00 0.00 H new ATOM 0 HB THR A 53 12.042 -9.064 -10.868 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.030 -7.333 -12.079 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.261 -9.555 -12.502 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.206 -10.669 -11.115 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.037 -9.332 -11.229 1.00 0.00 H new ATOM 456 N ASP A 54 11.441 -6.633 -8.416 1.00 0.00 N ATOM 457 CA ASP A 54 12.270 -5.633 -7.758 1.00 0.00 C ATOM 458 C ASP A 54 12.362 -5.918 -6.257 1.00 0.00 C ATOM 459 O ASP A 54 11.404 -6.409 -5.659 1.00 0.00 O ATOM 460 CB ASP A 54 11.678 -4.241 -8.006 1.00 0.00 C ATOM 461 CG ASP A 54 12.462 -3.134 -7.328 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.459 -2.667 -7.918 1.00 0.00 O ATOM 463 OD2 ASP A 54 12.082 -2.736 -6.208 1.00 0.00 O ATOM 0 H ASP A 54 10.607 -6.252 -8.864 1.00 0.00 H new ATOM 0 HA ASP A 54 13.278 -5.673 -8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.646 -4.052 -9.079 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.649 -4.221 -7.648 1.00 0.00 H new ATOM 468 N PRO A 55 13.519 -5.623 -5.624 1.00 0.00 N ATOM 469 CA PRO A 55 13.719 -5.859 -4.186 1.00 0.00 C ATOM 470 C PRO A 55 12.696 -5.136 -3.308 1.00 0.00 C ATOM 471 O PRO A 55 12.740 -5.244 -2.082 1.00 0.00 O ATOM 472 CB PRO A 55 15.124 -5.308 -3.921 1.00 0.00 C ATOM 473 CG PRO A 55 15.801 -5.333 -5.246 1.00 0.00 C ATOM 474 CD PRO A 55 14.725 -5.057 -6.257 1.00 0.00 C ATOM 0 HA PRO A 55 13.600 -6.914 -3.941 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.082 -4.296 -3.518 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.657 -5.919 -3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.589 -4.581 -5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.270 -6.300 -5.428 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.616 -3.990 -6.449 1.00 0.00 H new ATOM 0 HD3 PRO A 55 14.939 -5.533 -7.214 1.00 0.00 H new ATOM 482 N LEU A 56 11.786 -4.395 -3.936 1.00 0.00 N ATOM 483 CA LEU A 56 10.752 -3.662 -3.209 1.00 0.00 C ATOM 484 C LEU A 56 10.076 -4.561 -2.177 1.00 0.00 C ATOM 485 O LEU A 56 9.796 -4.136 -1.057 1.00 0.00 O ATOM 486 CB LEU A 56 9.708 -3.115 -4.186 1.00 0.00 C ATOM 487 CG LEU A 56 8.647 -2.203 -3.567 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.215 -0.815 -3.307 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.426 -2.121 -4.468 1.00 0.00 C ATOM 0 H LEU A 56 11.744 -4.286 -4.949 1.00 0.00 H new ATOM 0 HA LEU A 56 11.225 -2.830 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.224 -2.563 -4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.206 -3.956 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 56 8.343 -2.630 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.444 -0.183 -2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.058 -0.890 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.550 -0.377 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.681 -1.468 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.716 -1.719 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.004 -3.117 -4.600 1.00 0.00 H new ATOM 501 N CYS A 57 9.823 -5.807 -2.564 1.00 0.00 N ATOM 502 CA CYS A 57 9.180 -6.773 -1.681 1.00 0.00 C ATOM 503 C CYS A 57 10.036 -7.043 -0.447 1.00 0.00 C ATOM 504 O CYS A 57 9.538 -7.043 0.678 1.00 0.00 O ATOM 505 CB CYS A 57 8.920 -8.081 -2.430 1.00 0.00 C ATOM 506 SG CYS A 57 8.364 -9.439 -1.375 1.00 0.00 S ATOM 0 H CYS A 57 10.055 -6.172 -3.488 1.00 0.00 H new ATOM 0 HA CYS A 57 8.230 -6.351 -1.354 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.169 -7.903 -3.200 1.00 0.00 H new ATOM 0 HB3 CYS A 57 9.835 -8.383 -2.940 1.00 0.00 H new ATOM 0 HG CYS A 57 8.169 -10.500 -2.100 1.00 0.00 H new ATOM 512 N GLN A 58 11.326 -7.277 -0.668 1.00 0.00 N ATOM 513 CA GLN A 58 12.254 -7.554 0.424 1.00 0.00 C ATOM 514 C GLN A 58 12.308 -6.388 1.405 1.00 0.00 C ATOM 515 O GLN A 58 12.503 -6.582 2.606 1.00 0.00 O ATOM 516 CB GLN A 58 13.652 -7.838 -0.127 1.00 0.00 C ATOM 517 CG GLN A 58 13.713 -9.062 -1.027 1.00 0.00 C ATOM 518 CD GLN A 58 15.109 -9.330 -1.556 1.00 0.00 C ATOM 519 OE1 GLN A 58 16.104 -9.010 -0.906 1.00 0.00 O ATOM 520 NE2 GLN A 58 15.188 -9.922 -2.743 1.00 0.00 N ATOM 0 H GLN A 58 11.753 -7.280 -1.594 1.00 0.00 H new ATOM 0 HA GLN A 58 11.895 -8.434 0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.997 -6.968 -0.686 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.341 -7.975 0.706 1.00 0.00 H new ATOM 0 HG2 GLN A 58 13.365 -9.934 -0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 58 13.031 -8.925 -1.866 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.337 -10.170 -3.247 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.100 -10.129 -3.150 1.00 0.00 H new ATOM 529 N ARG A 59 12.133 -5.177 0.887 1.00 0.00 N ATOM 530 CA ARG A 59 12.164 -3.978 1.716 1.00 0.00 C ATOM 531 C ARG A 59 10.945 -3.925 2.634 1.00 0.00 C ATOM 532 O ARG A 59 11.075 -3.777 3.849 1.00 0.00 O ATOM 533 CB ARG A 59 12.210 -2.728 0.835 1.00 0.00 C ATOM 534 CG ARG A 59 12.518 -1.449 1.597 1.00 0.00 C ATOM 535 CD ARG A 59 14.009 -1.291 1.859 1.00 0.00 C ATOM 536 NE ARG A 59 14.496 -2.218 2.878 1.00 0.00 N ATOM 537 CZ ARG A 59 15.472 -1.925 3.733 1.00 0.00 C ATOM 538 NH1 ARG A 59 16.055 -0.734 3.699 1.00 0.00 N ATOM 539 NH2 ARG A 59 15.865 -2.824 4.625 1.00 0.00 N ATOM 0 H ARG A 59 11.968 -5.000 -0.104 1.00 0.00 H new ATOM 0 HA ARG A 59 13.062 -4.011 2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.964 -2.869 0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.251 -2.616 0.329 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.156 -0.592 1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.981 -1.453 2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.558 -1.454 0.931 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.213 -0.268 2.175 1.00 0.00 H new ATOM 0 HE ARG A 59 14.064 -3.140 2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.755 -0.039 3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.803 -0.513 4.356 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.419 -3.741 4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.613 -2.599 5.280 1.00 0.00 H new ATOM 553 N LEU A 60 9.762 -4.045 2.037 1.00 0.00 N ATOM 554 CA LEU A 60 8.512 -4.016 2.791 1.00 0.00 C ATOM 555 C LEU A 60 8.479 -5.119 3.844 1.00 0.00 C ATOM 556 O LEU A 60 8.141 -4.874 5.003 1.00 0.00 O ATOM 557 CB LEU A 60 7.319 -4.174 1.844 1.00 0.00 C ATOM 558 CG LEU A 60 6.825 -2.883 1.179 1.00 0.00 C ATOM 559 CD1 LEU A 60 7.952 -2.187 0.432 1.00 0.00 C ATOM 560 CD2 LEU A 60 5.675 -3.189 0.232 1.00 0.00 C ATOM 0 H LEU A 60 9.643 -4.164 1.031 1.00 0.00 H new ATOM 0 HA LEU A 60 8.449 -3.053 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.590 -4.883 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.492 -4.614 2.401 1.00 0.00 H new ATOM 0 HG LEU A 60 6.472 -2.211 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.574 -1.275 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.751 -1.936 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.341 -2.850 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.332 -2.265 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.013 -3.881 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.854 -3.640 0.790 1.00 0.00 H new ATOM 572 N ARG A 61 8.828 -6.334 3.432 1.00 0.00 N ATOM 573 CA ARG A 61 8.832 -7.478 4.339 1.00 0.00 C ATOM 574 C ARG A 61 9.758 -7.240 5.526 1.00 0.00 C ATOM 575 O ARG A 61 9.467 -7.668 6.643 1.00 0.00 O ATOM 576 CB ARG A 61 9.253 -8.745 3.594 1.00 0.00 C ATOM 577 CG ARG A 61 9.145 -10.006 4.435 1.00 0.00 C ATOM 578 CD ARG A 61 9.579 -11.236 3.655 1.00 0.00 C ATOM 579 NE ARG A 61 10.977 -11.156 3.242 1.00 0.00 N ATOM 580 CZ ARG A 61 11.841 -12.159 3.364 1.00 0.00 C ATOM 581 NH1 ARG A 61 11.458 -13.309 3.906 1.00 0.00 N ATOM 582 NH2 ARG A 61 13.092 -12.011 2.950 1.00 0.00 N ATOM 0 H ARG A 61 9.112 -6.552 2.477 1.00 0.00 H new ATOM 0 HA ARG A 61 7.818 -7.606 4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.633 -8.857 2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.282 -8.632 3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.763 -9.903 5.327 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.116 -10.132 4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.432 -12.125 4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.947 -11.349 2.774 1.00 0.00 H new ATOM 0 HE ARG A 61 11.310 -10.281 2.837 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.498 -13.425 4.230 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.124 -14.076 3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.392 -11.127 2.538 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.755 -12.781 3.044 1.00 0.00 H new ATOM 596 N GLU A 62 10.875 -6.561 5.280 1.00 0.00 N ATOM 597 CA GLU A 62 11.837 -6.269 6.337 1.00 0.00 C ATOM 598 C GLU A 62 11.164 -5.527 7.485 1.00 0.00 C ATOM 599 O GLU A 62 11.445 -5.786 8.656 1.00 0.00 O ATOM 600 CB GLU A 62 13.001 -5.442 5.790 1.00 0.00 C ATOM 601 CG GLU A 62 14.069 -5.131 6.826 1.00 0.00 C ATOM 602 CD GLU A 62 14.727 -6.381 7.376 1.00 0.00 C ATOM 603 OE1 GLU A 62 14.215 -6.935 8.371 1.00 0.00 O ATOM 604 OE2 GLU A 62 15.758 -6.807 6.811 1.00 0.00 O ATOM 0 H GLU A 62 11.135 -6.204 4.361 1.00 0.00 H new ATOM 0 HA GLU A 62 12.226 -7.215 6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.458 -5.980 4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.613 -4.506 5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.829 -4.491 6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.622 -4.569 7.646 1.00 0.00 H new ATOM 611 N ASN A 63 10.276 -4.601 7.139 1.00 0.00 N ATOM 612 CA ASN A 63 9.556 -3.826 8.139 1.00 0.00 C ATOM 613 C ASN A 63 8.106 -4.285 8.225 1.00 0.00 C ATOM 614 O ASN A 63 7.242 -3.786 7.504 1.00 0.00 O ATOM 615 CB ASN A 63 9.614 -2.334 7.807 1.00 0.00 C ATOM 616 CG ASN A 63 11.037 -1.825 7.678 1.00 0.00 C ATOM 617 OD1 ASN A 63 11.958 -2.360 8.296 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.224 -0.786 6.873 1.00 0.00 N ATOM 0 H ASN A 63 10.039 -4.370 6.174 1.00 0.00 H new ATOM 0 HA ASN A 63 10.034 -3.988 9.105 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.080 -2.151 6.875 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.099 -1.771 8.585 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.160 -0.400 6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.432 -0.374 6.380 1.00 0.00 H new ATOM 625 N ASP A 64 7.852 -5.253 9.100 1.00 0.00 N ATOM 626 CA ASP A 64 6.505 -5.783 9.286 1.00 0.00 C ATOM 627 C ASP A 64 5.523 -4.667 9.627 1.00 0.00 C ATOM 628 O ASP A 64 5.527 -4.141 10.741 1.00 0.00 O ATOM 629 CB ASP A 64 6.500 -6.840 10.391 1.00 0.00 C ATOM 630 CG ASP A 64 7.393 -8.020 10.063 1.00 0.00 C ATOM 631 OD1 ASP A 64 8.606 -7.945 10.354 1.00 0.00 O ATOM 632 OD2 ASP A 64 6.882 -9.018 9.515 1.00 0.00 O ATOM 0 H ASP A 64 8.561 -5.687 9.691 1.00 0.00 H new ATOM 0 HA ASP A 64 6.190 -6.244 8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.830 -6.387 11.326 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.481 -7.192 10.550 1.00 0.00 H new ATOM 637 N ILE A 65 4.683 -4.312 8.660 1.00 0.00 N ATOM 638 CA ILE A 65 3.694 -3.258 8.851 1.00 0.00 C ATOM 639 C ILE A 65 2.312 -3.714 8.391 1.00 0.00 C ATOM 640 O ILE A 65 2.168 -4.313 7.326 1.00 0.00 O ATOM 641 CB ILE A 65 4.083 -1.977 8.083 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.415 -1.424 8.600 1.00 0.00 C ATOM 643 CG2 ILE A 65 2.985 -0.928 8.194 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.376 -0.972 10.046 1.00 0.00 C ATOM 0 H ILE A 65 4.668 -4.740 7.734 1.00 0.00 H new ATOM 0 HA ILE A 65 3.665 -3.038 9.918 1.00 0.00 H new ATOM 0 HB ILE A 65 4.203 -2.232 7.030 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.182 -2.191 8.490 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.714 -0.583 7.975 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.280 -0.033 7.646 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.060 -1.323 7.773 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.828 -0.675 9.243 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.357 -0.594 10.336 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.634 -0.182 10.160 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.109 -1.815 10.684 1.00 0.00 H new ATOM 656 N VAL A 66 1.301 -3.425 9.203 1.00 0.00 N ATOM 657 CA VAL A 66 -0.070 -3.798 8.881 1.00 0.00 C ATOM 658 C VAL A 66 -0.765 -2.679 8.109 1.00 0.00 C ATOM 659 O VAL A 66 -0.305 -1.536 8.109 1.00 0.00 O ATOM 660 CB VAL A 66 -0.873 -4.124 10.158 1.00 0.00 C ATOM 661 CG1 VAL A 66 -1.028 -2.888 11.029 1.00 0.00 C ATOM 662 CG2 VAL A 66 -2.233 -4.717 9.813 1.00 0.00 C ATOM 0 H VAL A 66 1.406 -2.933 10.090 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.030 -4.691 8.258 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.315 -4.871 10.723 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.597 -3.142 11.923 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.043 -2.521 11.318 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.555 -2.114 10.471 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.777 -4.937 10.731 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.801 -4.003 9.217 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.095 -5.636 9.244 1.00 0.00 H new ATOM 672 N GLY A 67 -1.867 -3.014 7.450 1.00 0.00 N ATOM 673 CA GLY A 67 -2.603 -2.028 6.677 1.00 0.00 C ATOM 674 C GLY A 67 -3.159 -0.905 7.533 1.00 0.00 C ATOM 675 O GLY A 67 -3.501 0.161 7.022 1.00 0.00 O ATOM 0 H GLY A 67 -2.266 -3.953 7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.947 -1.607 5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.423 -2.521 6.155 1.00 0.00 H new ATOM 679 N ASP A 68 -3.253 -1.145 8.837 1.00 0.00 N ATOM 680 CA ASP A 68 -3.778 -0.148 9.764 1.00 0.00 C ATOM 681 C ASP A 68 -2.737 0.931 10.056 1.00 0.00 C ATOM 682 O ASP A 68 -3.031 1.929 10.713 1.00 0.00 O ATOM 683 CB ASP A 68 -4.215 -0.821 11.067 1.00 0.00 C ATOM 684 CG ASP A 68 -4.865 0.149 12.035 1.00 0.00 C ATOM 685 OD1 ASP A 68 -6.091 0.363 11.926 1.00 0.00 O ATOM 686 OD2 ASP A 68 -4.149 0.692 12.903 1.00 0.00 O ATOM 0 H ASP A 68 -2.972 -2.022 9.276 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.641 0.328 9.299 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.915 -1.625 10.839 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.348 -1.278 11.544 1.00 0.00 H new ATOM 691 N LEU A 69 -1.520 0.725 9.561 1.00 0.00 N ATOM 692 CA LEU A 69 -0.436 1.679 9.775 1.00 0.00 C ATOM 693 C LEU A 69 -0.060 2.392 8.480 1.00 0.00 C ATOM 694 O LEU A 69 0.708 3.354 8.495 1.00 0.00 O ATOM 695 CB LEU A 69 0.791 0.967 10.348 1.00 0.00 C ATOM 696 CG LEU A 69 0.564 0.232 11.671 1.00 0.00 C ATOM 697 CD1 LEU A 69 1.795 -0.580 12.045 1.00 0.00 C ATOM 698 CD2 LEU A 69 0.217 1.217 12.777 1.00 0.00 C ATOM 0 H LEU A 69 -1.260 -0.093 9.010 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.787 2.426 10.487 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.151 0.250 9.611 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.583 1.702 10.491 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.276 -0.452 11.546 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.617 -1.097 12.988 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.999 -1.312 11.263 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.651 0.086 12.152 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.059 0.676 13.710 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.035 1.926 12.903 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.693 1.756 12.512 1.00 0.00 H new ATOM 710 N LEU A 70 -0.601 1.916 7.360 1.00 0.00 N ATOM 711 CA LEU A 70 -0.313 2.515 6.059 1.00 0.00 C ATOM 712 C LEU A 70 -0.614 4.020 6.054 1.00 0.00 C ATOM 713 O LEU A 70 0.243 4.818 5.673 1.00 0.00 O ATOM 714 CB LEU A 70 -1.103 1.811 4.949 1.00 0.00 C ATOM 715 CG LEU A 70 -0.645 0.388 4.621 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.555 -0.236 3.575 1.00 0.00 C ATOM 717 CD2 LEU A 70 0.799 0.389 4.139 1.00 0.00 C ATOM 0 H LEU A 70 -1.239 1.121 7.327 1.00 0.00 H new ATOM 0 HA LEU A 70 0.752 2.384 5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.154 1.779 5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.040 2.413 4.043 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.703 -0.210 5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.215 -1.248 3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.576 -0.272 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.528 0.363 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.107 -0.631 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.883 1.003 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.443 0.796 4.919 1.00 0.00 H new ATOM 729 N PRO A 71 -1.829 4.437 6.473 1.00 0.00 N ATOM 730 CA PRO A 71 -2.201 5.853 6.502 1.00 0.00 C ATOM 731 C PRO A 71 -1.684 6.567 7.748 1.00 0.00 C ATOM 732 O PRO A 71 -1.762 7.791 7.852 1.00 0.00 O ATOM 733 CB PRO A 71 -3.725 5.800 6.514 1.00 0.00 C ATOM 734 CG PRO A 71 -4.044 4.549 7.260 1.00 0.00 C ATOM 735 CD PRO A 71 -2.937 3.575 6.945 1.00 0.00 C ATOM 0 HA PRO A 71 -1.778 6.409 5.665 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.150 6.675 7.005 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.130 5.774 5.502 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.101 4.739 8.332 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.011 4.150 6.955 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.649 2.999 7.825 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.240 2.859 6.181 1.00 0.00 H new ATOM 743 N GLU A 72 -1.158 5.792 8.691 1.00 0.00 N ATOM 744 CA GLU A 72 -0.632 6.348 9.933 1.00 0.00 C ATOM 745 C GLU A 72 0.837 6.732 9.788 1.00 0.00 C ATOM 746 O GLU A 72 1.480 7.136 10.756 1.00 0.00 O ATOM 747 CB GLU A 72 -0.793 5.341 11.074 1.00 0.00 C ATOM 748 CG GLU A 72 -2.233 4.920 11.317 1.00 0.00 C ATOM 749 CD GLU A 72 -3.116 6.076 11.747 1.00 0.00 C ATOM 750 OE1 GLU A 72 -3.213 6.328 12.966 1.00 0.00 O ATOM 751 OE2 GLU A 72 -3.711 6.729 10.863 1.00 0.00 O ATOM 0 H GLU A 72 -1.085 4.777 8.619 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.201 7.249 10.163 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.197 4.456 10.852 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.391 5.775 11.990 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.637 4.479 10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.256 4.145 12.084 1.00 0.00 H new ATOM 758 N LEU A 73 1.363 6.606 8.573 1.00 0.00 N ATOM 759 CA LEU A 73 2.758 6.939 8.308 1.00 0.00 C ATOM 760 C LEU A 73 2.873 7.949 7.172 1.00 0.00 C ATOM 761 O LEU A 73 2.130 7.886 6.193 1.00 0.00 O ATOM 762 CB LEU A 73 3.548 5.674 7.966 1.00 0.00 C ATOM 763 CG LEU A 73 3.540 4.591 9.049 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.183 3.315 8.529 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.259 5.079 10.299 1.00 0.00 C ATOM 0 H LEU A 73 0.845 6.276 7.758 1.00 0.00 H new ATOM 0 HA LEU A 73 3.176 7.388 9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.145 5.250 7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.581 5.954 7.761 1.00 0.00 H new ATOM 0 HG LEU A 73 2.504 4.374 9.311 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.169 2.556 9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.628 2.954 7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.214 3.519 8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.243 4.296 11.057 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.292 5.324 10.052 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.758 5.967 10.684 1.00 0.00 H new ATOM 777 N CYS A 74 3.813 8.881 7.311 1.00 0.00 N ATOM 778 CA CYS A 74 4.032 9.908 6.299 1.00 0.00 C ATOM 779 C CYS A 74 5.029 9.431 5.246 1.00 0.00 C ATOM 780 O CYS A 74 5.360 8.246 5.185 1.00 0.00 O ATOM 781 CB CYS A 74 4.535 11.197 6.952 1.00 0.00 C ATOM 782 SG CYS A 74 3.386 11.913 8.152 1.00 0.00 S ATOM 0 H CYS A 74 4.435 8.945 8.116 1.00 0.00 H new ATOM 0 HA CYS A 74 3.081 10.107 5.806 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.483 10.994 7.449 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.735 11.932 6.173 1.00 0.00 H new ATOM 0 HG CYS A 74 3.900 12.998 8.651 1.00 0.00 H new ATOM 788 N LEU A 75 5.507 10.359 4.422 1.00 0.00 N ATOM 789 CA LEU A 75 6.468 10.032 3.372 1.00 0.00 C ATOM 790 C LEU A 75 7.781 9.527 3.965 1.00 0.00 C ATOM 791 O LEU A 75 8.644 9.026 3.244 1.00 0.00 O ATOM 792 CB LEU A 75 6.731 11.254 2.489 1.00 0.00 C ATOM 793 CG LEU A 75 5.555 11.691 1.611 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.902 12.962 0.853 1.00 0.00 C ATOM 795 CD2 LEU A 75 5.170 10.582 0.642 1.00 0.00 C ATOM 0 H LEU A 75 5.245 11.344 4.461 1.00 0.00 H new ATOM 0 HA LEU A 75 6.038 9.237 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.016 12.089 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.584 11.040 1.845 1.00 0.00 H new ATOM 0 HG LEU A 75 4.701 11.895 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.056 13.259 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.130 13.758 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.770 12.782 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.333 10.911 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.020 10.347 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.881 9.693 1.203 1.00 0.00 H new ATOM 807 N GLN A 76 7.927 9.663 5.279 1.00 0.00 N ATOM 808 CA GLN A 76 9.133 9.215 5.963 1.00 0.00 C ATOM 809 C GLN A 76 9.279 7.699 5.864 1.00 0.00 C ATOM 810 O GLN A 76 10.202 7.194 5.225 1.00 0.00 O ATOM 811 CB GLN A 76 9.102 9.642 7.433 1.00 0.00 C ATOM 812 CG GLN A 76 10.331 9.212 8.218 1.00 0.00 C ATOM 813 CD GLN A 76 10.278 9.642 9.667 1.00 0.00 C ATOM 814 OE1 GLN A 76 9.696 10.674 10.002 1.00 0.00 O ATOM 815 NE2 GLN A 76 10.884 8.846 10.537 1.00 0.00 N ATOM 0 H GLN A 76 7.225 10.080 5.891 1.00 0.00 H new ATOM 0 HA GLN A 76 9.991 9.679 5.477 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.009 10.727 7.486 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.214 9.222 7.906 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.428 8.127 8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.221 9.633 7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.354 8.001 10.213 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.880 9.079 11.530 1.00 0.00 H new ATOM 824 N ASP A 77 8.358 6.982 6.502 1.00 0.00 N ATOM 825 CA ASP A 77 8.378 5.523 6.487 1.00 0.00 C ATOM 826 C ASP A 77 8.186 4.993 5.070 1.00 0.00 C ATOM 827 O ASP A 77 8.738 3.956 4.706 1.00 0.00 O ATOM 828 CB ASP A 77 7.287 4.970 7.405 1.00 0.00 C ATOM 829 CG ASP A 77 7.493 5.372 8.852 1.00 0.00 C ATOM 830 OD1 ASP A 77 7.069 6.487 9.224 1.00 0.00 O ATOM 831 OD2 ASP A 77 8.077 4.573 9.614 1.00 0.00 O ATOM 0 H ASP A 77 7.589 7.388 7.035 1.00 0.00 H new ATOM 0 HA ASP A 77 9.351 5.191 6.850 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.315 5.327 7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.270 3.883 7.331 1.00 0.00 H new ATOM 836 N CYS A 78 7.397 5.713 4.278 1.00 0.00 N ATOM 837 CA CYS A 78 7.135 5.321 2.899 1.00 0.00 C ATOM 838 C CYS A 78 8.429 5.283 2.095 1.00 0.00 C ATOM 839 O CYS A 78 8.663 4.356 1.320 1.00 0.00 O ATOM 840 CB CYS A 78 6.142 6.289 2.252 1.00 0.00 C ATOM 841 SG CYS A 78 4.485 6.232 2.970 1.00 0.00 S ATOM 0 H CYS A 78 6.928 6.571 4.569 1.00 0.00 H new ATOM 0 HA CYS A 78 6.701 4.321 2.904 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.530 7.304 2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.073 6.065 1.187 1.00 0.00 H new ATOM 0 HG CYS A 78 4.436 7.008 4.012 1.00 0.00 H new ATOM 847 N GLN A 79 9.268 6.298 2.284 1.00 0.00 N ATOM 848 CA GLN A 79 10.541 6.372 1.581 1.00 0.00 C ATOM 849 C GLN A 79 11.448 5.226 2.010 1.00 0.00 C ATOM 850 O GLN A 79 12.165 4.647 1.194 1.00 0.00 O ATOM 851 CB GLN A 79 11.222 7.715 1.848 1.00 0.00 C ATOM 852 CG GLN A 79 12.446 7.957 0.980 1.00 0.00 C ATOM 853 CD GLN A 79 13.047 9.333 1.189 1.00 0.00 C ATOM 854 OE1 GLN A 79 12.971 9.898 2.281 1.00 0.00 O ATOM 855 NE2 GLN A 79 13.647 9.882 0.139 1.00 0.00 N ATOM 0 H GLN A 79 9.088 7.078 2.917 1.00 0.00 H new ATOM 0 HA GLN A 79 10.351 6.287 0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.503 8.517 1.681 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.515 7.763 2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.198 7.199 1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.172 7.840 -0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.687 9.378 -0.747 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.068 10.808 0.219 1.00 0.00 H new ATOM 864 N ASP A 80 11.408 4.904 3.300 1.00 0.00 N ATOM 865 CA ASP A 80 12.211 3.815 3.843 1.00 0.00 C ATOM 866 C ASP A 80 11.777 2.491 3.230 1.00 0.00 C ATOM 867 O ASP A 80 12.592 1.596 3.002 1.00 0.00 O ATOM 868 CB ASP A 80 12.061 3.755 5.364 1.00 0.00 C ATOM 869 CG ASP A 80 12.949 2.700 5.991 1.00 0.00 C ATOM 870 OD1 ASP A 80 14.102 3.028 6.342 1.00 0.00 O ATOM 871 OD2 ASP A 80 12.494 1.546 6.130 1.00 0.00 O ATOM 0 H ASP A 80 10.827 5.383 3.988 1.00 0.00 H new ATOM 0 HA ASP A 80 13.257 3.997 3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.303 4.729 5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.021 3.547 5.616 1.00 0.00 H new ATOM 876 N LEU A 81 10.480 2.383 2.966 1.00 0.00 N ATOM 877 CA LEU A 81 9.906 1.182 2.376 1.00 0.00 C ATOM 878 C LEU A 81 10.293 1.058 0.907 1.00 0.00 C ATOM 879 O LEU A 81 10.116 0.006 0.295 1.00 0.00 O ATOM 880 CB LEU A 81 8.382 1.208 2.528 1.00 0.00 C ATOM 881 CG LEU A 81 7.822 0.393 3.700 1.00 0.00 C ATOM 882 CD1 LEU A 81 8.670 0.576 4.951 1.00 0.00 C ATOM 883 CD2 LEU A 81 6.384 0.796 3.978 1.00 0.00 C ATOM 0 H LEU A 81 9.801 3.121 3.154 1.00 0.00 H new ATOM 0 HA LEU A 81 10.302 0.313 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.063 2.244 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.936 0.838 1.605 1.00 0.00 H new ATOM 0 HG LEU A 81 7.850 -0.661 3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.249 -0.014 5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.689 0.244 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.680 1.629 5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.997 0.211 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.345 1.856 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.777 0.611 3.092 1.00 0.00 H new ATOM 895 N CYS A 82 10.821 2.141 0.347 1.00 0.00 N ATOM 896 CA CYS A 82 11.243 2.153 -1.048 1.00 0.00 C ATOM 897 C CYS A 82 12.752 1.969 -1.154 1.00 0.00 C ATOM 898 O CYS A 82 13.469 2.072 -0.157 1.00 0.00 O ATOM 899 CB CYS A 82 10.827 3.463 -1.719 1.00 0.00 C ATOM 900 SG CYS A 82 9.044 3.761 -1.712 1.00 0.00 S ATOM 0 H CYS A 82 10.967 3.023 0.839 1.00 0.00 H new ATOM 0 HA CYS A 82 10.754 1.324 -1.560 1.00 0.00 H new ATOM 0 HB2 CYS A 82 11.325 4.291 -1.215 1.00 0.00 H new ATOM 0 HB3 CYS A 82 11.180 3.459 -2.750 1.00 0.00 H new ATOM 0 HG CYS A 82 8.655 4.035 -0.502 1.00 0.00 H new ATOM 906 N ASP A 83 13.230 1.693 -2.364 1.00 0.00 N ATOM 907 CA ASP A 83 14.656 1.497 -2.596 1.00 0.00 C ATOM 908 C ASP A 83 15.434 2.772 -2.287 1.00 0.00 C ATOM 909 O ASP A 83 16.655 2.744 -2.126 1.00 0.00 O ATOM 910 CB ASP A 83 14.905 1.072 -4.043 1.00 0.00 C ATOM 911 CG ASP A 83 14.519 2.151 -5.036 1.00 0.00 C ATOM 912 OD1 ASP A 83 13.321 2.244 -5.375 1.00 0.00 O ATOM 913 OD2 ASP A 83 15.415 2.904 -5.473 1.00 0.00 O ATOM 0 H ASP A 83 12.650 1.600 -3.198 1.00 0.00 H new ATOM 0 HA ASP A 83 15.004 0.708 -1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.959 0.825 -4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.337 0.166 -4.256 1.00 0.00 H new ATOM 918 N GLY A 84 14.717 3.888 -2.206 1.00 0.00 N ATOM 919 CA GLY A 84 15.350 5.162 -1.919 1.00 0.00 C ATOM 920 C GLY A 84 14.872 6.265 -2.843 1.00 0.00 C ATOM 921 O GLY A 84 15.349 7.398 -2.768 1.00 0.00 O ATOM 0 H GLY A 84 13.706 3.933 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.144 5.442 -0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.431 5.057 -2.012 1.00 0.00 H new ATOM 925 N ASP A 85 13.928 5.932 -3.717 1.00 0.00 N ATOM 926 CA ASP A 85 13.382 6.890 -4.662 1.00 0.00 C ATOM 927 C ASP A 85 12.203 7.649 -4.059 1.00 0.00 C ATOM 928 O ASP A 85 11.172 7.059 -3.738 1.00 0.00 O ATOM 929 CB ASP A 85 12.942 6.166 -5.932 1.00 0.00 C ATOM 930 CG ASP A 85 14.015 6.165 -7.002 1.00 0.00 C ATOM 931 OD1 ASP A 85 14.050 7.118 -7.809 1.00 0.00 O ATOM 932 OD2 ASP A 85 14.820 5.212 -7.036 1.00 0.00 O ATOM 0 H ASP A 85 13.525 4.998 -3.788 1.00 0.00 H new ATOM 0 HA ASP A 85 14.160 7.614 -4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.677 5.137 -5.687 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.043 6.641 -6.324 1.00 0.00 H new ATOM 937 N LEU A 86 12.366 8.960 -3.906 1.00 0.00 N ATOM 938 CA LEU A 86 11.315 9.803 -3.348 1.00 0.00 C ATOM 939 C LEU A 86 10.038 9.688 -4.172 1.00 0.00 C ATOM 940 O LEU A 86 8.948 9.515 -3.626 1.00 0.00 O ATOM 941 CB LEU A 86 11.776 11.263 -3.304 1.00 0.00 C ATOM 942 CG LEU A 86 10.736 12.262 -2.788 1.00 0.00 C ATOM 943 CD1 LEU A 86 10.469 12.042 -1.307 1.00 0.00 C ATOM 944 CD2 LEU A 86 11.197 13.688 -3.044 1.00 0.00 C ATOM 0 H LEU A 86 13.217 9.461 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 86 11.107 9.463 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.663 11.328 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.077 11.562 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 86 9.804 12.099 -3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.728 12.762 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.094 11.031 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.394 12.176 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.447 14.385 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.142 13.863 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.333 13.840 -4.115 1.00 0.00 H new ATOM 956 N ASN A 87 10.186 9.787 -5.489 1.00 0.00 N ATOM 957 CA ASN A 87 9.055 9.695 -6.405 1.00 0.00 C ATOM 958 C ASN A 87 8.267 8.414 -6.162 1.00 0.00 C ATOM 959 O ASN A 87 7.037 8.425 -6.114 1.00 0.00 O ATOM 960 CB ASN A 87 9.549 9.728 -7.849 1.00 0.00 C ATOM 961 CG ASN A 87 8.436 10.008 -8.840 1.00 0.00 C ATOM 962 OD1 ASN A 87 7.460 10.688 -8.520 1.00 0.00 O ATOM 963 ND2 ASN A 87 8.576 9.485 -10.052 1.00 0.00 N ATOM 0 H ASN A 87 11.085 9.932 -5.948 1.00 0.00 H new ATOM 0 HA ASN A 87 8.399 10.547 -6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.319 10.493 -7.948 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.015 8.773 -8.092 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.859 9.640 -10.760 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.401 8.928 -10.275 1.00 0.00 H new ATOM 970 N LYS A 88 8.993 7.313 -6.013 1.00 0.00 N ATOM 971 CA LYS A 88 8.384 6.012 -5.771 1.00 0.00 C ATOM 972 C LYS A 88 7.473 6.057 -4.547 1.00 0.00 C ATOM 973 O LYS A 88 6.347 5.558 -4.579 1.00 0.00 O ATOM 974 CB LYS A 88 9.479 4.961 -5.577 1.00 0.00 C ATOM 975 CG LYS A 88 8.959 3.588 -5.178 1.00 0.00 C ATOM 976 CD LYS A 88 8.210 2.911 -6.319 1.00 0.00 C ATOM 977 CE LYS A 88 9.158 2.233 -7.298 1.00 0.00 C ATOM 978 NZ LYS A 88 10.037 3.210 -7.999 1.00 0.00 N ATOM 0 H LYS A 88 10.012 7.296 -6.056 1.00 0.00 H new ATOM 0 HA LYS A 88 7.776 5.745 -6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.046 4.868 -6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.172 5.311 -4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.794 2.959 -4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.298 3.686 -4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.519 2.172 -5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.610 3.651 -6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.775 1.511 -6.763 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.579 1.675 -8.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.288 2.840 -8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.535 4.114 -8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.903 3.359 -7.443 1.00 0.00 H new ATOM 992 N ALA A 89 7.969 6.661 -3.470 1.00 0.00 N ATOM 993 CA ALA A 89 7.204 6.771 -2.234 1.00 0.00 C ATOM 994 C ALA A 89 5.941 7.602 -2.437 1.00 0.00 C ATOM 995 O ALA A 89 4.927 7.375 -1.779 1.00 0.00 O ATOM 996 CB ALA A 89 8.061 7.370 -1.130 1.00 0.00 C ATOM 0 H ALA A 89 8.897 7.081 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 89 6.901 5.767 -1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.474 7.445 -0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.927 6.732 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.397 8.363 -1.428 1.00 0.00 H new ATOM 1002 N ILE A 90 6.010 8.568 -3.350 1.00 0.00 N ATOM 1003 CA ILE A 90 4.865 9.425 -3.636 1.00 0.00 C ATOM 1004 C ILE A 90 3.702 8.602 -4.180 1.00 0.00 C ATOM 1005 O ILE A 90 2.612 8.602 -3.610 1.00 0.00 O ATOM 1006 CB ILE A 90 5.225 10.539 -4.641 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.336 11.425 -4.070 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.995 11.371 -4.980 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.845 12.469 -5.040 1.00 0.00 C ATOM 0 H ILE A 90 6.843 8.775 -3.901 1.00 0.00 H new ATOM 0 HA ILE A 90 4.569 9.893 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 90 5.587 10.077 -5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.965 11.924 -3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.169 10.793 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.268 12.152 -5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.232 10.730 -5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.603 11.828 -4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.630 13.057 -4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.247 11.977 -5.926 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.025 13.126 -5.331 1.00 0.00 H new ATOM 1021 N LYS A 91 3.944 7.901 -5.286 1.00 0.00 N ATOM 1022 CA LYS A 91 2.919 7.064 -5.901 1.00 0.00 C ATOM 1023 C LYS A 91 2.354 6.080 -4.882 1.00 0.00 C ATOM 1024 O LYS A 91 1.178 5.720 -4.930 1.00 0.00 O ATOM 1025 CB LYS A 91 3.502 6.302 -7.094 1.00 0.00 C ATOM 1026 CG LYS A 91 3.967 7.203 -8.227 1.00 0.00 C ATOM 1027 CD LYS A 91 2.798 7.901 -8.905 1.00 0.00 C ATOM 1028 CE LYS A 91 1.937 6.919 -9.684 1.00 0.00 C ATOM 1029 NZ LYS A 91 2.714 6.219 -10.743 1.00 0.00 N ATOM 0 H LYS A 91 4.840 7.897 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 91 2.113 7.708 -6.252 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.343 5.699 -6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.750 5.612 -7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.660 7.949 -7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.514 6.612 -8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.189 8.404 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.174 8.671 -9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.514 6.185 -8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.101 7.450 -10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.060 5.802 -11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.338 6.899 -11.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.288 5.466 -10.312 1.00 0.00 H new ATOM 1043 N PHE A 92 3.210 5.649 -3.960 1.00 0.00 N ATOM 1044 CA PHE A 92 2.814 4.713 -2.914 1.00 0.00 C ATOM 1045 C PHE A 92 1.749 5.333 -2.009 1.00 0.00 C ATOM 1046 O PHE A 92 0.620 4.840 -1.928 1.00 0.00 O ATOM 1047 CB PHE A 92 4.048 4.310 -2.097 1.00 0.00 C ATOM 1048 CG PHE A 92 3.762 3.378 -0.952 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.330 2.080 -1.183 1.00 0.00 C ATOM 1050 CD2 PHE A 92 3.938 3.798 0.356 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.078 1.221 -0.130 1.00 0.00 C ATOM 1052 CE2 PHE A 92 3.689 2.943 1.414 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.258 1.653 1.171 1.00 0.00 C ATOM 0 H PHE A 92 4.188 5.936 -3.917 1.00 0.00 H new ATOM 0 HA PHE A 92 2.384 3.824 -3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.770 3.836 -2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.519 5.212 -1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.189 1.737 -2.197 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.274 4.806 0.552 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.741 0.213 -0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.831 3.283 2.429 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.062 0.984 1.996 1.00 0.00 H new ATOM 1063 N LYS A 93 2.115 6.423 -1.341 1.00 0.00 N ATOM 1064 CA LYS A 93 1.199 7.114 -0.443 1.00 0.00 C ATOM 1065 C LYS A 93 -0.040 7.597 -1.192 1.00 0.00 C ATOM 1066 O LYS A 93 -1.093 7.804 -0.591 1.00 0.00 O ATOM 1067 CB LYS A 93 1.896 8.301 0.222 1.00 0.00 C ATOM 1068 CG LYS A 93 1.075 8.943 1.329 1.00 0.00 C ATOM 1069 CD LYS A 93 1.732 10.208 1.856 1.00 0.00 C ATOM 1070 CE LYS A 93 1.621 11.352 0.861 1.00 0.00 C ATOM 1071 NZ LYS A 93 0.205 11.636 0.498 1.00 0.00 N ATOM 0 H LYS A 93 3.041 6.846 -1.406 1.00 0.00 H new ATOM 0 HA LYS A 93 0.887 6.407 0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.849 7.969 0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.120 9.052 -0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.080 9.180 0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.947 8.232 2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.264 10.497 2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.783 10.011 2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.074 12.248 1.286 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.184 11.106 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.133 12.597 0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.116 10.948 -0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.392 11.561 1.346 1.00 0.00 H new ATOM 1085 N ILE A 94 0.092 7.776 -2.502 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.022 8.234 -3.326 1.00 0.00 C ATOM 1087 C ILE A 94 -2.141 7.201 -3.365 1.00 0.00 C ATOM 1088 O ILE A 94 -3.233 7.438 -2.847 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.574 8.546 -4.769 1.00 0.00 C ATOM 1090 CG1 ILE A 94 0.125 9.908 -4.827 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -1.767 8.512 -5.718 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.734 10.223 -6.177 1.00 0.00 C ATOM 0 H ILE A 94 0.958 7.611 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.392 9.150 -2.866 1.00 0.00 H new ATOM 0 HB ILE A 94 0.135 7.781 -5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.594 10.687 -4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.908 9.937 -4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.432 8.734 -6.731 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.222 7.522 -5.695 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.501 9.256 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.211 11.203 -6.141 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.478 9.466 -6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.048 10.227 -6.937 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.865 6.061 -3.996 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.850 4.993 -4.112 1.00 0.00 C ATOM 1106 C LEU A 95 -3.489 4.704 -2.763 1.00 0.00 C ATOM 1107 O LEU A 95 -4.683 4.414 -2.679 1.00 0.00 O ATOM 1108 CB LEU A 95 -2.198 3.721 -4.663 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.532 3.863 -6.034 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -0.880 2.553 -6.446 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -2.543 4.307 -7.082 1.00 0.00 C ATOM 0 H LEU A 95 -0.967 5.855 -4.434 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.626 5.321 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.449 3.378 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.958 2.942 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.759 4.628 -5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.411 2.671 -7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.124 2.276 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.637 1.771 -6.499 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.048 4.401 -8.048 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.341 3.568 -7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.965 5.270 -6.795 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.690 4.799 -1.708 1.00 0.00 N ATOM 1124 CA ILE A 96 -3.182 4.541 -0.364 1.00 0.00 C ATOM 1125 C ILE A 96 -4.034 5.698 0.153 1.00 0.00 C ATOM 1126 O ILE A 96 -5.007 5.485 0.879 1.00 0.00 O ATOM 1127 CB ILE A 96 -2.023 4.281 0.615 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -1.127 3.163 0.078 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.558 3.924 1.996 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.171 3.006 0.839 1.00 0.00 C ATOM 0 H ILE A 96 -1.703 5.052 -1.758 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.804 3.648 -0.423 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.430 5.191 0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.675 2.221 0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.902 3.361 -0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.724 3.744 2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.163 4.747 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.171 3.025 1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.753 2.195 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.741 3.934 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.045 2.776 1.882 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.668 6.919 -0.224 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.402 8.104 0.207 1.00 0.00 C ATOM 1144 C ASN A 97 -5.824 8.093 -0.346 1.00 0.00 C ATOM 1145 O ASN A 97 -6.791 8.252 0.399 1.00 0.00 O ATOM 1146 CB ASN A 97 -3.676 9.374 -0.242 1.00 0.00 C ATOM 1147 CG ASN A 97 -4.422 10.636 0.148 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -5.252 11.139 -0.609 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -4.127 11.156 1.334 1.00 0.00 N ATOM 0 H ASN A 97 -2.868 7.114 -0.826 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.454 8.092 1.296 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.679 9.394 0.198 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.546 9.352 -1.324 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.595 12.006 1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.432 10.706 1.930 1.00 0.00 H new ATOM 1156 N LYS A 98 -5.943 7.903 -1.655 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.248 7.874 -2.308 1.00 0.00 C ATOM 1158 C LYS A 98 -8.057 6.659 -1.865 1.00 0.00 C ATOM 1159 O LYS A 98 -9.285 6.706 -1.820 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.085 7.868 -3.831 1.00 0.00 C ATOM 1161 CG LYS A 98 -6.741 9.230 -4.420 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.370 9.711 -3.970 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.041 11.072 -4.560 1.00 0.00 C ATOM 1164 NZ LYS A 98 -6.046 12.101 -4.178 1.00 0.00 N ATOM 0 H LYS A 98 -5.153 7.767 -2.285 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.789 8.773 -2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.302 7.159 -4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.009 7.510 -4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.767 9.172 -5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.497 9.956 -4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.341 9.767 -2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.612 8.989 -4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.054 11.386 -4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.995 10.995 -5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.666 13.048 -4.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.917 11.956 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.258 12.019 -3.163 1.00 0.00 H new ATOM 1178 N MET A 99 -7.367 5.569 -1.542 1.00 0.00 N ATOM 1179 CA MET A 99 -8.035 4.348 -1.103 1.00 0.00 C ATOM 1180 C MET A 99 -8.837 4.598 0.173 1.00 0.00 C ATOM 1181 O MET A 99 -10.037 4.334 0.226 1.00 0.00 O ATOM 1182 CB MET A 99 -7.012 3.232 -0.871 1.00 0.00 C ATOM 1183 CG MET A 99 -7.616 1.835 -0.853 1.00 0.00 C ATOM 1184 SD MET A 99 -8.592 1.510 0.628 1.00 0.00 S ATOM 1185 CE MET A 99 -9.137 -0.167 0.315 1.00 0.00 C ATOM 0 H MET A 99 -6.350 5.506 -1.576 1.00 0.00 H new ATOM 0 HA MET A 99 -8.723 4.037 -1.889 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.254 3.279 -1.653 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.504 3.410 0.077 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.247 1.706 -1.733 1.00 0.00 H new ATOM 0 HG3 MET A 99 -6.816 1.098 -0.923 1.00 0.00 H new ATOM 0 HE1 MET A 99 -9.754 -0.510 1.146 1.00 0.00 H new ATOM 0 HE2 MET A 99 -9.720 -0.194 -0.605 1.00 0.00 H new ATOM 0 HE3 MET A 99 -8.269 -0.819 0.214 1.00 0.00 H new ATOM 1195 N ARG A 100 -8.163 5.115 1.196 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.804 5.400 2.475 1.00 0.00 C ATOM 1197 C ARG A 100 -9.633 6.682 2.413 1.00 0.00 C ATOM 1198 O ARG A 100 -10.860 6.642 2.508 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.747 5.510 3.579 1.00 0.00 C ATOM 1200 CG ARG A 100 -8.293 6.008 4.911 1.00 0.00 C ATOM 1201 CD ARG A 100 -9.325 5.054 5.490 1.00 0.00 C ATOM 1202 NE ARG A 100 -9.806 5.496 6.796 1.00 0.00 N ATOM 1203 CZ ARG A 100 -10.565 4.751 7.594 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -10.922 3.528 7.226 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -10.967 5.228 8.765 1.00 0.00 N ATOM 0 H ARG A 100 -7.170 5.346 1.163 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.480 4.576 2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.289 4.532 3.728 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.958 6.184 3.246 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.472 6.128 5.618 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.743 6.991 4.775 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.167 4.970 4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.888 4.060 5.582 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.545 6.429 7.114 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.614 3.155 6.328 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -11.504 2.960 7.841 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.694 6.167 9.054 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.549 4.655 9.376 1.00 0.00 H new ATOM 1219 N ASP A 101 -8.953 7.814 2.252 1.00 0.00 N ATOM 1220 CA ASP A 101 -9.621 9.114 2.191 1.00 0.00 C ATOM 1221 C ASP A 101 -10.712 9.138 1.122 1.00 0.00 C ATOM 1222 O ASP A 101 -11.844 9.536 1.395 1.00 0.00 O ATOM 1223 CB ASP A 101 -8.602 10.220 1.914 1.00 0.00 C ATOM 1224 CG ASP A 101 -7.535 10.307 2.988 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -6.535 9.565 2.892 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -7.699 11.117 3.924 1.00 0.00 O ATOM 0 H ASP A 101 -7.938 7.859 2.161 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.092 9.287 3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.128 10.040 0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.119 11.177 1.842 1.00 0.00 H new