USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=15 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= -1.13 K(o=-1.1,f=-0.082) USER MOD Single : A 36 SER OG : rot 180:sc= -0.118 USER MOD Single : A 42 THR OG1 : rot 69:sc= 1.17 USER MOD Single : A 44 CYS SG : rot 106:sc= -0.339 USER MOD Single : A 46 SER OG : rot -24:sc= 0.333 USER MOD Single : A 47 THR OG1 : rot -50:sc= 1.2 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.922 USER MOD Single : A 58 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.017) USER MOD Single : A 63 ASN : amide:sc= 0.12 K(o=0.12,f=-0.61) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 78 CYS SG : rot 78:sc= 0.512 USER MOD Single : A 79 GLN : amide:sc= -0.0294 X(o=-0.029,f=0) USER MOD Single : A 82 CYS SG : rot -162:sc= 0.52 USER MOD Single : A 87 ASN : amide:sc= -0.027 K(o=-0.027,f=-0.93) USER MOD Single : A 88 LYS NZ :NH3+ 159:sc= -0.118 (180deg=-0.556) USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= -0.0727 (180deg=-0.377) USER MOD Single : A 93 LYS NZ :NH3+ 161:sc= -0.0598 (180deg=-0.377) USER MOD Single : A 97 ASN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= -0.0488 (180deg=-0.298) USER MOD Single : A 99 MET CE :methyl -153:sc= -0.212 (180deg=-0.827) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -6.945 -5.840 8.243 1.00 0.00 N ATOM 143 CA GLN A 34 -6.685 -7.262 8.441 1.00 0.00 C ATOM 144 C GLN A 34 -5.663 -7.777 7.430 1.00 0.00 C ATOM 145 O GLN A 34 -5.433 -8.983 7.327 1.00 0.00 O ATOM 146 CB GLN A 34 -7.986 -8.059 8.321 1.00 0.00 C ATOM 147 CG GLN A 34 -9.068 -7.611 9.293 1.00 0.00 C ATOM 148 CD GLN A 34 -8.635 -7.714 10.745 1.00 0.00 C ATOM 149 OE1 GLN A 34 -9.070 -6.931 11.588 1.00 0.00 O ATOM 150 NE2 GLN A 34 -7.780 -8.685 11.045 1.00 0.00 N ATOM 0 HA GLN A 34 -6.275 -7.395 9.442 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.364 -7.969 7.303 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.772 -9.114 8.490 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.343 -6.579 9.073 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.960 -8.218 9.141 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.444 -9.313 10.314 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.459 -8.803 12.006 1.00 0.00 H new ATOM 159 N TRP A 35 -5.051 -6.857 6.690 1.00 0.00 N ATOM 160 CA TRP A 35 -4.052 -7.219 5.689 1.00 0.00 C ATOM 161 C TRP A 35 -2.719 -7.572 6.342 1.00 0.00 C ATOM 162 O TRP A 35 -2.301 -6.934 7.308 1.00 0.00 O ATOM 163 CB TRP A 35 -3.854 -6.072 4.695 1.00 0.00 C ATOM 164 CG TRP A 35 -4.927 -5.981 3.649 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.129 -6.633 3.640 1.00 0.00 C ATOM 166 CD2 TRP A 35 -4.893 -5.189 2.457 1.00 0.00 C ATOM 167 NE1 TRP A 35 -6.840 -6.293 2.516 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.104 -5.409 1.774 1.00 0.00 C ATOM 169 CE3 TRP A 35 -3.956 -4.314 1.901 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.401 -4.786 0.564 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.250 -3.697 0.701 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.464 -3.935 0.044 1.00 0.00 C ATOM 0 H TRP A 35 -5.229 -5.855 6.764 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.417 -8.097 5.157 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.815 -5.131 5.244 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.889 -6.194 4.202 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.469 -7.315 4.405 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.767 -6.643 2.273 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.018 -4.124 2.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.336 -4.968 0.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.532 -3.020 0.262 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.665 -3.436 -0.893 1.00 0.00 H new ATOM 183 N SER A 36 -2.060 -8.594 5.804 1.00 0.00 N ATOM 184 CA SER A 36 -0.770 -9.035 6.323 1.00 0.00 C ATOM 185 C SER A 36 0.363 -8.553 5.422 1.00 0.00 C ATOM 186 O SER A 36 0.128 -7.842 4.445 1.00 0.00 O ATOM 187 CB SER A 36 -0.740 -10.562 6.436 1.00 0.00 C ATOM 188 OG SER A 36 0.454 -11.006 7.057 1.00 0.00 O ATOM 0 H SER A 36 -2.399 -9.133 5.007 1.00 0.00 H new ATOM 0 HA SER A 36 -0.631 -8.604 7.315 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.601 -10.904 7.011 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.823 -11.005 5.443 1.00 0.00 H new ATOM 0 HG SER A 36 0.447 -11.984 7.118 1.00 0.00 H new ATOM 194 N VAL A 37 1.590 -8.943 5.756 1.00 0.00 N ATOM 195 CA VAL A 37 2.757 -8.549 4.974 1.00 0.00 C ATOM 196 C VAL A 37 2.603 -8.950 3.509 1.00 0.00 C ATOM 197 O VAL A 37 2.955 -8.188 2.609 1.00 0.00 O ATOM 198 CB VAL A 37 4.047 -9.178 5.541 1.00 0.00 C ATOM 199 CG1 VAL A 37 5.249 -8.812 4.683 1.00 0.00 C ATOM 200 CG2 VAL A 37 4.263 -8.744 6.982 1.00 0.00 C ATOM 0 H VAL A 37 1.801 -9.531 6.562 1.00 0.00 H new ATOM 0 HA VAL A 37 2.832 -7.464 5.039 1.00 0.00 H new ATOM 0 HB VAL A 37 3.935 -10.262 5.522 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.147 -9.266 5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.097 -9.179 3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.366 -7.728 4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.177 -9.197 7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.350 -7.658 7.026 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.417 -9.065 7.589 1.00 0.00 H new ATOM 210 N ASP A 38 2.074 -10.147 3.277 1.00 0.00 N ATOM 211 CA ASP A 38 1.878 -10.647 1.920 1.00 0.00 C ATOM 212 C ASP A 38 0.812 -9.842 1.183 1.00 0.00 C ATOM 213 O ASP A 38 0.933 -9.585 -0.014 1.00 0.00 O ATOM 214 CB ASP A 38 1.483 -12.126 1.950 1.00 0.00 C ATOM 215 CG ASP A 38 2.567 -13.004 2.544 1.00 0.00 C ATOM 216 OD1 ASP A 38 2.638 -13.100 3.787 1.00 0.00 O ATOM 217 OD2 ASP A 38 3.342 -13.599 1.766 1.00 0.00 O ATOM 0 H ASP A 38 1.773 -10.789 4.010 1.00 0.00 H new ATOM 0 HA ASP A 38 2.821 -10.537 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.567 -12.243 2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.263 -12.461 0.936 1.00 0.00 H new ATOM 222 N ASP A 39 -0.231 -9.446 1.906 1.00 0.00 N ATOM 223 CA ASP A 39 -1.324 -8.677 1.319 1.00 0.00 C ATOM 224 C ASP A 39 -0.870 -7.271 0.934 1.00 0.00 C ATOM 225 O ASP A 39 -1.337 -6.709 -0.057 1.00 0.00 O ATOM 226 CB ASP A 39 -2.498 -8.596 2.295 1.00 0.00 C ATOM 227 CG ASP A 39 -3.087 -9.960 2.600 1.00 0.00 C ATOM 228 OD1 ASP A 39 -3.989 -10.397 1.856 1.00 0.00 O ATOM 229 OD2 ASP A 39 -2.645 -10.591 3.584 1.00 0.00 O ATOM 0 H ASP A 39 -0.343 -9.645 2.900 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.644 -9.191 0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.165 -8.131 3.223 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.272 -7.954 1.876 1.00 0.00 H new ATOM 234 N VAL A 40 0.043 -6.707 1.719 1.00 0.00 N ATOM 235 CA VAL A 40 0.550 -5.365 1.457 1.00 0.00 C ATOM 236 C VAL A 40 1.513 -5.356 0.273 1.00 0.00 C ATOM 237 O VAL A 40 1.403 -4.517 -0.620 1.00 0.00 O ATOM 238 CB VAL A 40 1.260 -4.780 2.695 1.00 0.00 C ATOM 239 CG1 VAL A 40 1.866 -3.421 2.380 1.00 0.00 C ATOM 240 CG2 VAL A 40 0.291 -4.680 3.864 1.00 0.00 C ATOM 0 H VAL A 40 0.446 -7.158 2.540 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.313 -4.744 1.217 1.00 0.00 H new ATOM 0 HB VAL A 40 2.071 -5.453 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.361 -3.029 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.594 -3.525 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.078 -2.734 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.807 -4.265 4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.541 -4.031 3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.088 -5.672 4.108 1.00 0.00 H new ATOM 250 N ILE A 41 2.454 -6.295 0.272 1.00 0.00 N ATOM 251 CA ILE A 41 3.439 -6.390 -0.801 1.00 0.00 C ATOM 252 C ILE A 41 2.772 -6.673 -2.144 1.00 0.00 C ATOM 253 O ILE A 41 3.037 -5.992 -3.135 1.00 0.00 O ATOM 254 CB ILE A 41 4.477 -7.495 -0.515 1.00 0.00 C ATOM 255 CG1 ILE A 41 5.218 -7.202 0.792 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.460 -7.617 -1.672 1.00 0.00 C ATOM 257 CD1 ILE A 41 6.068 -8.357 1.277 1.00 0.00 C ATOM 0 H ILE A 41 2.556 -7.001 1.001 1.00 0.00 H new ATOM 0 HA ILE A 41 3.945 -5.426 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 41 3.953 -8.445 -0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.853 -6.328 0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.491 -6.947 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.185 -8.401 -1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.919 -7.868 -2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.981 -6.669 -1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.564 -8.079 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.435 -9.227 1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.818 -8.598 0.524 1.00 0.00 H new ATOM 269 N THR A 42 1.908 -7.683 -2.170 1.00 0.00 N ATOM 270 CA THR A 42 1.213 -8.066 -3.395 1.00 0.00 C ATOM 271 C THR A 42 0.389 -6.912 -3.959 1.00 0.00 C ATOM 272 O THR A 42 0.581 -6.509 -5.106 1.00 0.00 O ATOM 273 CB THR A 42 0.291 -9.278 -3.168 1.00 0.00 C ATOM 274 OG1 THR A 42 1.035 -10.361 -2.598 1.00 0.00 O ATOM 275 CG2 THR A 42 -0.341 -9.728 -4.477 1.00 0.00 C ATOM 0 H THR A 42 1.672 -8.251 -1.357 1.00 0.00 H new ATOM 0 HA THR A 42 1.986 -8.336 -4.115 1.00 0.00 H new ATOM 0 HB THR A 42 -0.501 -8.980 -2.481 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.294 -10.133 -1.681 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.988 -10.585 -4.293 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.930 -8.912 -4.896 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.442 -10.009 -5.181 1.00 0.00 H new ATOM 283 N TRP A 43 -0.531 -6.386 -3.151 1.00 0.00 N ATOM 284 CA TRP A 43 -1.385 -5.282 -3.585 1.00 0.00 C ATOM 285 C TRP A 43 -0.553 -4.098 -4.064 1.00 0.00 C ATOM 286 O TRP A 43 -0.856 -3.491 -5.091 1.00 0.00 O ATOM 287 CB TRP A 43 -2.313 -4.838 -2.451 1.00 0.00 C ATOM 288 CG TRP A 43 -3.149 -3.645 -2.811 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.309 -3.644 -3.532 1.00 0.00 C ATOM 290 CD2 TRP A 43 -2.882 -2.278 -2.476 1.00 0.00 C ATOM 291 NE1 TRP A 43 -4.779 -2.360 -3.666 1.00 0.00 N ATOM 292 CE2 TRP A 43 -3.922 -1.504 -3.026 1.00 0.00 C ATOM 293 CE3 TRP A 43 -1.868 -1.632 -1.763 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -3.974 -0.120 -2.889 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -1.921 -0.258 -1.626 1.00 0.00 C ATOM 296 CH2 TRP A 43 -2.968 0.485 -2.186 1.00 0.00 C ATOM 0 H TRP A 43 -0.703 -6.705 -2.197 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.989 -5.641 -4.419 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.968 -5.666 -2.180 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.715 -4.603 -1.570 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.787 -4.524 -3.937 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.628 -2.088 -4.162 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.057 -2.197 -1.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.779 0.455 -3.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.142 0.251 -1.078 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.982 1.558 -2.060 1.00 0.00 H new ATOM 307 N CYS A 44 0.491 -3.771 -3.311 1.00 0.00 N ATOM 308 CA CYS A 44 1.366 -2.657 -3.660 1.00 0.00 C ATOM 309 C CYS A 44 1.913 -2.821 -5.074 1.00 0.00 C ATOM 310 O CYS A 44 1.528 -2.091 -5.985 1.00 0.00 O ATOM 311 CB CYS A 44 2.520 -2.558 -2.661 1.00 0.00 C ATOM 312 SG CYS A 44 3.702 -1.240 -3.027 1.00 0.00 S ATOM 0 H CYS A 44 0.752 -4.261 -2.455 1.00 0.00 H new ATOM 0 HA CYS A 44 0.781 -1.738 -3.620 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.110 -2.397 -1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.050 -3.510 -2.638 1.00 0.00 H new ATOM 0 HG CYS A 44 3.534 -0.261 -2.189 1.00 0.00 H new ATOM 318 N ILE A 45 2.801 -3.793 -5.244 1.00 0.00 N ATOM 319 CA ILE A 45 3.418 -4.071 -6.538 1.00 0.00 C ATOM 320 C ILE A 45 2.372 -4.259 -7.636 1.00 0.00 C ATOM 321 O ILE A 45 2.630 -3.977 -8.806 1.00 0.00 O ATOM 322 CB ILE A 45 4.287 -5.341 -6.462 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.314 -5.213 -5.338 1.00 0.00 C ATOM 324 CG2 ILE A 45 4.979 -5.596 -7.792 1.00 0.00 C ATOM 325 CD1 ILE A 45 5.993 -6.518 -4.991 1.00 0.00 C ATOM 0 H ILE A 45 3.114 -4.409 -4.493 1.00 0.00 H new ATOM 0 HA ILE A 45 4.037 -3.208 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 45 3.640 -6.191 -6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.071 -4.485 -5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.821 -4.821 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.588 -6.497 -7.718 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.230 -5.727 -8.573 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.616 -4.747 -8.039 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.709 -6.353 -4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.245 -7.243 -4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.515 -6.901 -5.868 1.00 0.00 H new ATOM 337 N SER A 46 1.192 -4.731 -7.250 1.00 0.00 N ATOM 338 CA SER A 46 0.112 -4.974 -8.201 1.00 0.00 C ATOM 339 C SER A 46 -0.306 -3.699 -8.930 1.00 0.00 C ATOM 340 O SER A 46 -1.031 -3.759 -9.924 1.00 0.00 O ATOM 341 CB SER A 46 -1.098 -5.578 -7.488 1.00 0.00 C ATOM 342 OG SER A 46 -2.149 -5.840 -8.401 1.00 0.00 O ATOM 0 H SER A 46 0.958 -4.954 -6.283 1.00 0.00 H new ATOM 0 HA SER A 46 0.489 -5.677 -8.944 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.806 -6.502 -6.989 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.446 -4.894 -6.714 1.00 0.00 H new ATOM 0 HG SER A 46 -2.053 -5.260 -9.185 1.00 0.00 H new ATOM 348 N THR A 47 0.149 -2.547 -8.443 1.00 0.00 N ATOM 349 CA THR A 47 -0.207 -1.277 -9.065 1.00 0.00 C ATOM 350 C THR A 47 0.721 -0.142 -8.631 1.00 0.00 C ATOM 351 O THR A 47 0.401 1.031 -8.822 1.00 0.00 O ATOM 352 CB THR A 47 -1.662 -0.891 -8.725 1.00 0.00 C ATOM 353 OG1 THR A 47 -1.996 0.364 -9.331 1.00 0.00 O ATOM 354 CG2 THR A 47 -1.861 -0.805 -7.218 1.00 0.00 C ATOM 0 H THR A 47 0.758 -2.468 -7.629 1.00 0.00 H new ATOM 0 HA THR A 47 -0.101 -1.417 -10.141 1.00 0.00 H new ATOM 0 HB THR A 47 -2.320 -1.666 -9.119 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.304 1.025 -9.118 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.894 -0.532 -7.002 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.640 -1.772 -6.766 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.192 -0.050 -6.805 1.00 0.00 H new ATOM 362 N LEU A 48 1.875 -0.482 -8.064 1.00 0.00 N ATOM 363 CA LEU A 48 2.812 0.543 -7.612 1.00 0.00 C ATOM 364 C LEU A 48 3.693 1.031 -8.759 1.00 0.00 C ATOM 365 O LEU A 48 3.548 2.162 -9.222 1.00 0.00 O ATOM 366 CB LEU A 48 3.690 0.000 -6.475 1.00 0.00 C ATOM 367 CG LEU A 48 4.210 1.041 -5.476 1.00 0.00 C ATOM 368 CD1 LEU A 48 5.180 2.003 -6.143 1.00 0.00 C ATOM 369 CD2 LEU A 48 3.053 1.801 -4.843 1.00 0.00 C ATOM 0 H LEU A 48 2.181 -1.442 -7.908 1.00 0.00 H new ATOM 0 HA LEU A 48 2.230 1.388 -7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.118 -0.748 -5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.546 -0.512 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 48 4.748 0.512 -4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.533 2.730 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.029 1.447 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.675 2.523 -6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.442 2.535 -4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.484 2.311 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.403 1.102 -4.317 1.00 0.00 H new ATOM 381 N GLU A 49 4.604 0.176 -9.214 1.00 0.00 N ATOM 382 CA GLU A 49 5.502 0.537 -10.306 1.00 0.00 C ATOM 383 C GLU A 49 5.781 -0.642 -11.233 1.00 0.00 C ATOM 384 O GLU A 49 5.368 -0.646 -12.393 1.00 0.00 O ATOM 385 CB GLU A 49 6.818 1.086 -9.751 1.00 0.00 C ATOM 386 CG GLU A 49 6.718 2.525 -9.271 1.00 0.00 C ATOM 387 CD GLU A 49 6.509 3.504 -10.410 1.00 0.00 C ATOM 388 OE1 GLU A 49 5.347 3.690 -10.828 1.00 0.00 O ATOM 389 OE2 GLU A 49 7.509 4.085 -10.883 1.00 0.00 O ATOM 0 H GLU A 49 4.740 -0.766 -8.846 1.00 0.00 H new ATOM 0 HA GLU A 49 5.003 1.308 -10.893 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.145 0.457 -8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.585 1.021 -10.523 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.892 2.612 -8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.628 2.789 -8.732 1.00 0.00 H new ATOM 396 N VAL A 50 6.485 -1.642 -10.709 1.00 0.00 N ATOM 397 CA VAL A 50 6.856 -2.817 -11.491 1.00 0.00 C ATOM 398 C VAL A 50 6.063 -4.053 -11.078 1.00 0.00 C ATOM 399 O VAL A 50 5.025 -3.952 -10.423 1.00 0.00 O ATOM 400 CB VAL A 50 8.361 -3.117 -11.344 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.192 -1.985 -11.926 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.716 -3.351 -9.883 1.00 0.00 C ATOM 0 H VAL A 50 6.811 -1.661 -9.743 1.00 0.00 H new ATOM 0 HA VAL A 50 6.623 -2.587 -12.531 1.00 0.00 H new ATOM 0 HB VAL A 50 8.588 -4.026 -11.902 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.251 -2.216 -11.813 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.957 -1.868 -12.984 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.964 -1.058 -11.399 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.782 -3.561 -9.797 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.474 -2.461 -9.303 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.147 -4.199 -9.502 1.00 0.00 H new ATOM 412 N GLU A 51 6.569 -5.220 -11.474 1.00 0.00 N ATOM 413 CA GLU A 51 5.933 -6.493 -11.156 1.00 0.00 C ATOM 414 C GLU A 51 6.618 -7.142 -9.959 1.00 0.00 C ATOM 415 O GLU A 51 7.522 -6.556 -9.364 1.00 0.00 O ATOM 416 CB GLU A 51 5.997 -7.429 -12.363 1.00 0.00 C ATOM 417 CG GLU A 51 7.409 -7.640 -12.884 1.00 0.00 C ATOM 418 CD GLU A 51 7.480 -8.705 -13.962 1.00 0.00 C ATOM 419 OE1 GLU A 51 7.507 -9.903 -13.611 1.00 0.00 O ATOM 420 OE2 GLU A 51 7.508 -8.341 -15.156 1.00 0.00 O ATOM 0 H GLU A 51 7.426 -5.308 -12.021 1.00 0.00 H new ATOM 0 HA GLU A 51 4.889 -6.307 -10.906 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.570 -8.394 -12.089 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.379 -7.022 -13.163 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.790 -6.699 -13.282 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.059 -7.922 -12.056 1.00 0.00 H new ATOM 427 N GLU A 52 6.189 -8.352 -9.605 1.00 0.00 N ATOM 428 CA GLU A 52 6.776 -9.054 -8.468 1.00 0.00 C ATOM 429 C GLU A 52 8.143 -9.632 -8.828 1.00 0.00 C ATOM 430 O GLU A 52 8.291 -10.838 -9.030 1.00 0.00 O ATOM 431 CB GLU A 52 5.841 -10.170 -7.993 1.00 0.00 C ATOM 432 CG GLU A 52 6.307 -10.856 -6.718 1.00 0.00 C ATOM 433 CD GLU A 52 5.357 -11.947 -6.263 1.00 0.00 C ATOM 434 OE1 GLU A 52 4.387 -11.628 -5.544 1.00 0.00 O ATOM 435 OE2 GLU A 52 5.583 -13.120 -6.625 1.00 0.00 O ATOM 0 H GLU A 52 5.446 -8.861 -10.083 1.00 0.00 H new ATOM 0 HA GLU A 52 6.911 -8.335 -7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.847 -9.754 -7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.748 -10.915 -8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.296 -11.285 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.408 -10.114 -5.926 1.00 0.00 H new ATOM 442 N THR A 53 9.135 -8.753 -8.919 1.00 0.00 N ATOM 443 CA THR A 53 10.501 -9.152 -9.239 1.00 0.00 C ATOM 444 C THR A 53 11.493 -8.307 -8.450 1.00 0.00 C ATOM 445 O THR A 53 12.440 -8.820 -7.853 1.00 0.00 O ATOM 446 CB THR A 53 10.794 -9.002 -10.744 1.00 0.00 C ATOM 447 OG1 THR A 53 10.637 -7.635 -11.141 1.00 0.00 O ATOM 448 CG2 THR A 53 9.867 -9.883 -11.566 1.00 0.00 C ATOM 0 H THR A 53 9.017 -7.750 -8.774 1.00 0.00 H new ATOM 0 HA THR A 53 10.609 -10.202 -8.967 1.00 0.00 H new ATOM 0 HB THR A 53 11.822 -9.316 -10.924 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.827 -7.549 -12.099 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.093 -9.760 -12.625 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.010 -10.926 -11.283 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.832 -9.596 -11.380 1.00 0.00 H new ATOM 456 N ASP A 54 11.251 -7.000 -8.462 1.00 0.00 N ATOM 457 CA ASP A 54 12.093 -6.037 -7.766 1.00 0.00 C ATOM 458 C ASP A 54 12.157 -6.341 -6.265 1.00 0.00 C ATOM 459 O ASP A 54 11.184 -6.819 -5.684 1.00 0.00 O ATOM 460 CB ASP A 54 11.539 -4.628 -8.004 1.00 0.00 C ATOM 461 CG ASP A 54 12.323 -3.551 -7.279 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.310 -3.048 -7.854 1.00 0.00 O ATOM 463 OD2 ASP A 54 11.948 -3.210 -6.139 1.00 0.00 O ATOM 0 H ASP A 54 10.464 -6.579 -8.956 1.00 0.00 H new ATOM 0 HA ASP A 54 13.108 -6.105 -8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.546 -4.417 -9.073 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.499 -4.593 -7.679 1.00 0.00 H new ATOM 468 N PRO A 55 13.313 -6.070 -5.618 1.00 0.00 N ATOM 469 CA PRO A 55 13.502 -6.315 -4.177 1.00 0.00 C ATOM 470 C PRO A 55 12.482 -5.587 -3.299 1.00 0.00 C ATOM 471 O PRO A 55 12.527 -5.695 -2.074 1.00 0.00 O ATOM 472 CB PRO A 55 14.910 -5.779 -3.898 1.00 0.00 C ATOM 473 CG PRO A 55 15.598 -5.812 -5.216 1.00 0.00 C ATOM 474 CD PRO A 55 14.537 -5.525 -6.239 1.00 0.00 C ATOM 0 HA PRO A 55 13.370 -7.371 -3.941 1.00 0.00 H new ATOM 0 HB2 PRO A 55 14.875 -4.767 -3.495 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.430 -6.396 -3.165 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.395 -5.069 -5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.058 -6.784 -5.392 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.447 -4.457 -6.437 1.00 0.00 H new ATOM 0 HD3 PRO A 55 14.755 -6.008 -7.191 1.00 0.00 H new ATOM 482 N LEU A 56 11.575 -4.839 -3.926 1.00 0.00 N ATOM 483 CA LEU A 56 10.550 -4.100 -3.193 1.00 0.00 C ATOM 484 C LEU A 56 9.841 -5.002 -2.185 1.00 0.00 C ATOM 485 O LEU A 56 9.310 -4.531 -1.181 1.00 0.00 O ATOM 486 CB LEU A 56 9.527 -3.503 -4.165 1.00 0.00 C ATOM 487 CG LEU A 56 8.539 -2.510 -3.545 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.233 -1.198 -3.214 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.367 -2.271 -4.483 1.00 0.00 C ATOM 0 H LEU A 56 11.530 -4.729 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 56 11.041 -3.293 -2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.064 -3.001 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.962 -4.318 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 56 8.158 -2.939 -2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.514 -0.507 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.040 -1.382 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.644 -0.764 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.675 -1.563 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.733 -1.865 -5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.852 -3.213 -4.669 1.00 0.00 H new ATOM 501 N CYS A 57 9.839 -6.303 -2.461 1.00 0.00 N ATOM 502 CA CYS A 57 9.201 -7.275 -1.580 1.00 0.00 C ATOM 503 C CYS A 57 9.999 -7.435 -0.292 1.00 0.00 C ATOM 504 O CYS A 57 9.443 -7.408 0.807 1.00 0.00 O ATOM 505 CB CYS A 57 9.085 -8.631 -2.280 1.00 0.00 C ATOM 506 SG CYS A 57 8.340 -8.555 -3.926 1.00 0.00 S ATOM 0 H CYS A 57 10.273 -6.709 -3.290 1.00 0.00 H new ATOM 0 HA CYS A 57 8.203 -6.909 -1.337 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.079 -9.070 -2.363 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.492 -9.300 -1.656 1.00 0.00 H new ATOM 0 HG CYS A 57 8.289 -9.750 -4.435 1.00 0.00 H new ATOM 512 N GLN A 58 11.309 -7.605 -0.440 1.00 0.00 N ATOM 513 CA GLN A 58 12.200 -7.778 0.701 1.00 0.00 C ATOM 514 C GLN A 58 12.152 -6.569 1.630 1.00 0.00 C ATOM 515 O GLN A 58 12.031 -6.716 2.847 1.00 0.00 O ATOM 516 CB GLN A 58 13.634 -8.011 0.218 1.00 0.00 C ATOM 517 CG GLN A 58 14.640 -8.172 1.346 1.00 0.00 C ATOM 518 CD GLN A 58 16.043 -8.457 0.845 1.00 0.00 C ATOM 519 OE1 GLN A 58 17.028 -8.071 1.473 1.00 0.00 O ATOM 520 NE2 GLN A 58 16.143 -9.141 -0.291 1.00 0.00 N ATOM 0 H GLN A 58 11.779 -7.627 -1.345 1.00 0.00 H new ATOM 0 HA GLN A 58 11.862 -8.649 1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.657 -8.903 -0.407 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.937 -7.173 -0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.652 -7.264 1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.320 -8.984 1.999 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.301 -9.443 -0.781 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.062 -9.364 -0.673 1.00 0.00 H new ATOM 529 N ARG A 59 12.247 -5.376 1.053 1.00 0.00 N ATOM 530 CA ARG A 59 12.223 -4.143 1.833 1.00 0.00 C ATOM 531 C ARG A 59 10.939 -4.035 2.651 1.00 0.00 C ATOM 532 O ARG A 59 10.982 -3.808 3.861 1.00 0.00 O ATOM 533 CB ARG A 59 12.358 -2.927 0.914 1.00 0.00 C ATOM 534 CG ARG A 59 12.862 -1.681 1.623 1.00 0.00 C ATOM 535 CD ARG A 59 14.296 -1.854 2.100 1.00 0.00 C ATOM 536 NE ARG A 59 14.802 -0.653 2.759 1.00 0.00 N ATOM 537 CZ ARG A 59 16.070 -0.491 3.128 1.00 0.00 C ATOM 538 NH1 ARG A 59 16.960 -1.447 2.901 1.00 0.00 N ATOM 539 NH2 ARG A 59 16.447 0.631 3.726 1.00 0.00 N ATOM 0 H ARG A 59 12.341 -5.236 0.047 1.00 0.00 H new ATOM 0 HA ARG A 59 13.068 -4.166 2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.039 -3.172 0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.388 -2.712 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.802 -0.827 0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.218 -1.460 2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.349 -2.696 2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.934 -2.097 1.250 1.00 0.00 H new ATOM 0 HE ARG A 59 14.146 0.105 2.947 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.674 -2.312 2.442 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.931 -1.318 3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.765 1.369 3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.419 0.756 4.009 1.00 0.00 H new ATOM 553 N LEU A 60 9.800 -4.199 1.986 1.00 0.00 N ATOM 554 CA LEU A 60 8.505 -4.122 2.654 1.00 0.00 C ATOM 555 C LEU A 60 8.396 -5.174 3.753 1.00 0.00 C ATOM 556 O LEU A 60 7.737 -4.958 4.770 1.00 0.00 O ATOM 557 CB LEU A 60 7.371 -4.309 1.643 1.00 0.00 C ATOM 558 CG LEU A 60 7.247 -3.207 0.589 1.00 0.00 C ATOM 559 CD1 LEU A 60 6.231 -3.598 -0.473 1.00 0.00 C ATOM 560 CD2 LEU A 60 6.856 -1.889 1.239 1.00 0.00 C ATOM 0 H LEU A 60 9.747 -4.386 0.985 1.00 0.00 H new ATOM 0 HA LEU A 60 8.419 -3.135 3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.514 -5.262 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.429 -4.377 2.187 1.00 0.00 H new ATOM 0 HG LEU A 60 8.217 -3.080 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.156 -2.803 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.550 -4.519 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.258 -3.753 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.772 -1.117 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.898 -2.003 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.617 -1.601 1.964 1.00 0.00 H new ATOM 572 N ARG A 61 9.049 -6.313 3.541 1.00 0.00 N ATOM 573 CA ARG A 61 9.023 -7.403 4.511 1.00 0.00 C ATOM 574 C ARG A 61 9.845 -7.059 5.750 1.00 0.00 C ATOM 575 O ARG A 61 9.513 -7.479 6.859 1.00 0.00 O ATOM 576 CB ARG A 61 9.547 -8.692 3.869 1.00 0.00 C ATOM 577 CG ARG A 61 9.313 -9.937 4.711 1.00 0.00 C ATOM 578 CD ARG A 61 10.472 -10.206 5.656 1.00 0.00 C ATOM 579 NE ARG A 61 10.273 -11.429 6.431 1.00 0.00 N ATOM 580 CZ ARG A 61 11.267 -12.151 6.936 1.00 0.00 C ATOM 581 NH1 ARG A 61 12.527 -11.777 6.752 1.00 0.00 N ATOM 582 NH2 ARG A 61 11.003 -13.251 7.628 1.00 0.00 N ATOM 0 H ARG A 61 9.603 -6.505 2.706 1.00 0.00 H new ATOM 0 HA ARG A 61 7.990 -7.554 4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.067 -8.825 2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.616 -8.586 3.684 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.395 -9.819 5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.171 -10.797 4.056 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.396 -10.286 5.083 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.590 -9.361 6.335 1.00 0.00 H new ATOM 0 HE ARG A 61 9.317 -11.746 6.593 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.736 -10.932 6.221 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.287 -12.335 7.142 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.036 -13.543 7.773 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.767 -13.805 8.016 1.00 0.00 H new ATOM 596 N GLU A 62 10.917 -6.293 5.558 1.00 0.00 N ATOM 597 CA GLU A 62 11.785 -5.898 6.665 1.00 0.00 C ATOM 598 C GLU A 62 10.982 -5.263 7.794 1.00 0.00 C ATOM 599 O GLU A 62 10.934 -5.791 8.906 1.00 0.00 O ATOM 600 CB GLU A 62 12.857 -4.919 6.181 1.00 0.00 C ATOM 601 CG GLU A 62 13.880 -5.544 5.247 1.00 0.00 C ATOM 602 CD GLU A 62 14.651 -6.675 5.899 1.00 0.00 C ATOM 603 OE1 GLU A 62 14.189 -7.833 5.818 1.00 0.00 O ATOM 604 OE2 GLU A 62 15.717 -6.404 6.492 1.00 0.00 O ATOM 0 H GLU A 62 11.205 -5.934 4.648 1.00 0.00 H new ATOM 0 HA GLU A 62 12.267 -6.798 7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.372 -4.087 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.374 -4.504 7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.373 -5.920 4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.579 -4.777 4.915 1.00 0.00 H new ATOM 611 N ASN A 63 10.353 -4.130 7.504 1.00 0.00 N ATOM 612 CA ASN A 63 9.553 -3.430 8.499 1.00 0.00 C ATOM 613 C ASN A 63 8.122 -3.952 8.502 1.00 0.00 C ATOM 614 O ASN A 63 7.265 -3.444 7.779 1.00 0.00 O ATOM 615 CB ASN A 63 9.558 -1.922 8.231 1.00 0.00 C ATOM 616 CG ASN A 63 10.960 -1.350 8.165 1.00 0.00 C ATOM 617 OD1 ASN A 63 11.889 -1.882 8.774 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.121 -0.255 7.428 1.00 0.00 N ATOM 0 H ASN A 63 10.382 -3.678 6.590 1.00 0.00 H new ATOM 0 HA ASN A 63 9.995 -3.614 9.478 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.042 -1.721 7.292 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.998 -1.415 9.017 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.042 0.177 7.351 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.324 0.153 6.940 1.00 0.00 H new ATOM 625 N ASP A 64 7.875 -4.980 9.309 1.00 0.00 N ATOM 626 CA ASP A 64 6.546 -5.569 9.411 1.00 0.00 C ATOM 627 C ASP A 64 5.517 -4.512 9.799 1.00 0.00 C ATOM 628 O ASP A 64 5.315 -4.230 10.980 1.00 0.00 O ATOM 629 CB ASP A 64 6.543 -6.707 10.435 1.00 0.00 C ATOM 630 CG ASP A 64 7.451 -7.851 10.030 1.00 0.00 C ATOM 631 OD1 ASP A 64 8.659 -7.790 10.344 1.00 0.00 O ATOM 632 OD2 ASP A 64 6.956 -8.807 9.398 1.00 0.00 O ATOM 0 H ASP A 64 8.578 -5.421 9.901 1.00 0.00 H new ATOM 0 HA ASP A 64 6.277 -5.974 8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.860 -6.321 11.404 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.526 -7.080 10.557 1.00 0.00 H new ATOM 637 N ILE A 65 4.876 -3.927 8.793 1.00 0.00 N ATOM 638 CA ILE A 65 3.870 -2.899 9.018 1.00 0.00 C ATOM 639 C ILE A 65 2.533 -3.303 8.404 1.00 0.00 C ATOM 640 O ILE A 65 2.392 -3.364 7.183 1.00 0.00 O ATOM 641 CB ILE A 65 4.312 -1.544 8.426 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.598 -1.053 9.103 1.00 0.00 C ATOM 643 CG2 ILE A 65 3.206 -0.508 8.564 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.460 -0.829 10.594 1.00 0.00 C ATOM 0 H ILE A 65 5.037 -4.149 7.811 1.00 0.00 H new ATOM 0 HA ILE A 65 3.754 -2.792 10.097 1.00 0.00 H new ATOM 0 HB ILE A 65 4.515 -1.686 7.365 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.390 -1.781 8.927 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.911 -0.121 8.633 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.540 0.439 8.140 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.318 -0.851 8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.967 -0.369 9.618 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.411 -0.483 10.999 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.692 -0.079 10.780 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.178 -1.764 11.078 1.00 0.00 H new ATOM 656 N VAL A 66 1.558 -3.581 9.264 1.00 0.00 N ATOM 657 CA VAL A 66 0.230 -3.979 8.813 1.00 0.00 C ATOM 658 C VAL A 66 -0.418 -2.886 7.975 1.00 0.00 C ATOM 659 O VAL A 66 0.093 -1.768 7.891 1.00 0.00 O ATOM 660 CB VAL A 66 -0.693 -4.301 10.002 1.00 0.00 C ATOM 661 CG1 VAL A 66 -0.147 -5.470 10.805 1.00 0.00 C ATOM 662 CG2 VAL A 66 -0.867 -3.076 10.886 1.00 0.00 C ATOM 0 H VAL A 66 1.663 -3.538 10.278 1.00 0.00 H new ATOM 0 HA VAL A 66 0.361 -4.874 8.205 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.670 -4.585 9.612 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.815 -5.681 11.641 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.077 -6.350 10.165 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.843 -5.219 11.186 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.522 -3.321 11.722 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.105 -2.761 11.267 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.308 -2.267 10.304 1.00 0.00 H new ATOM 672 N GLY A 67 -1.548 -3.214 7.358 1.00 0.00 N ATOM 673 CA GLY A 67 -2.250 -2.246 6.541 1.00 0.00 C ATOM 674 C GLY A 67 -2.940 -1.187 7.378 1.00 0.00 C ATOM 675 O GLY A 67 -3.367 -0.154 6.860 1.00 0.00 O ATOM 0 H GLY A 67 -1.989 -4.132 7.410 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.545 -1.768 5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.989 -2.759 5.926 1.00 0.00 H new ATOM 679 N ASP A 68 -3.043 -1.445 8.679 1.00 0.00 N ATOM 680 CA ASP A 68 -3.687 -0.512 9.599 1.00 0.00 C ATOM 681 C ASP A 68 -2.763 0.659 9.925 1.00 0.00 C ATOM 682 O ASP A 68 -3.184 1.647 10.527 1.00 0.00 O ATOM 683 CB ASP A 68 -4.087 -1.237 10.886 1.00 0.00 C ATOM 684 CG ASP A 68 -4.869 -0.349 11.833 1.00 0.00 C ATOM 685 OD1 ASP A 68 -6.109 -0.281 11.696 1.00 0.00 O ATOM 686 OD2 ASP A 68 -4.242 0.277 12.713 1.00 0.00 O ATOM 0 H ASP A 68 -2.688 -2.293 9.120 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.581 -0.118 9.116 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.687 -2.112 10.635 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.190 -1.599 11.389 1.00 0.00 H new ATOM 691 N LEU A 69 -1.502 0.538 9.523 1.00 0.00 N ATOM 692 CA LEU A 69 -0.512 1.579 9.782 1.00 0.00 C ATOM 693 C LEU A 69 -0.170 2.352 8.510 1.00 0.00 C ATOM 694 O LEU A 69 0.528 3.365 8.561 1.00 0.00 O ATOM 695 CB LEU A 69 0.758 0.957 10.365 1.00 0.00 C ATOM 696 CG LEU A 69 0.751 0.718 11.879 1.00 0.00 C ATOM 697 CD1 LEU A 69 -0.539 0.050 12.330 1.00 0.00 C ATOM 698 CD2 LEU A 69 1.952 -0.124 12.280 1.00 0.00 C ATOM 0 H LEU A 69 -1.141 -0.270 9.017 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.941 2.279 10.499 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.934 0.004 9.867 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.601 1.604 10.123 1.00 0.00 H new ATOM 0 HG LEU A 69 0.813 1.687 12.374 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.511 -0.105 13.409 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.386 0.687 12.077 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.646 -0.912 11.828 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.938 -0.288 13.357 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.911 -1.084 11.766 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.869 0.396 12.004 1.00 0.00 H new ATOM 710 N LEU A 70 -0.662 1.871 7.373 1.00 0.00 N ATOM 711 CA LEU A 70 -0.400 2.520 6.091 1.00 0.00 C ATOM 712 C LEU A 70 -0.857 3.985 6.091 1.00 0.00 C ATOM 713 O LEU A 70 -0.089 4.870 5.714 1.00 0.00 O ATOM 714 CB LEU A 70 -1.078 1.753 4.950 1.00 0.00 C ATOM 715 CG LEU A 70 -0.547 0.338 4.712 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.357 -0.359 3.630 1.00 0.00 C ATOM 717 CD2 LEU A 70 0.925 0.375 4.330 1.00 0.00 C ATOM 0 H LEU A 70 -1.244 1.035 7.312 1.00 0.00 H new ATOM 0 HA LEU A 70 0.679 2.508 5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.146 1.693 5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.964 2.326 4.030 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.648 -0.226 5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.966 -1.364 3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.401 -0.420 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.286 0.207 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.284 -0.641 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.049 0.957 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.498 0.836 5.134 1.00 0.00 H new ATOM 729 N PRO A 71 -2.111 4.270 6.511 1.00 0.00 N ATOM 730 CA PRO A 71 -2.631 5.639 6.542 1.00 0.00 C ATOM 731 C PRO A 71 -2.167 6.414 7.772 1.00 0.00 C ATOM 732 O PRO A 71 -2.420 7.614 7.892 1.00 0.00 O ATOM 733 CB PRO A 71 -4.141 5.428 6.586 1.00 0.00 C ATOM 734 CG PRO A 71 -4.314 4.146 7.325 1.00 0.00 C ATOM 735 CD PRO A 71 -3.119 3.294 6.982 1.00 0.00 C ATOM 0 HA PRO A 71 -2.286 6.229 5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.643 6.251 7.095 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.563 5.369 5.583 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.371 4.321 8.399 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.240 3.651 7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.762 2.738 7.849 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.358 2.562 6.210 1.00 0.00 H new ATOM 743 N GLU A 72 -1.486 5.724 8.681 1.00 0.00 N ATOM 744 CA GLU A 72 -0.992 6.349 9.904 1.00 0.00 C ATOM 745 C GLU A 72 0.448 6.827 9.736 1.00 0.00 C ATOM 746 O GLU A 72 0.866 7.797 10.370 1.00 0.00 O ATOM 747 CB GLU A 72 -1.087 5.367 11.074 1.00 0.00 C ATOM 748 CG GLU A 72 -0.594 5.938 12.393 1.00 0.00 C ATOM 749 CD GLU A 72 -0.844 5.006 13.562 1.00 0.00 C ATOM 750 OE1 GLU A 72 0.001 4.120 13.807 1.00 0.00 O ATOM 751 OE2 GLU A 72 -1.887 5.162 14.232 1.00 0.00 O ATOM 0 H GLU A 72 -1.263 4.732 8.595 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.615 7.218 10.115 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.124 5.053 11.190 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.508 4.475 10.836 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.474 6.144 12.319 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.090 6.891 12.580 1.00 0.00 H new ATOM 758 N LEU A 73 1.201 6.146 8.878 1.00 0.00 N ATOM 759 CA LEU A 73 2.595 6.503 8.636 1.00 0.00 C ATOM 760 C LEU A 73 2.711 7.541 7.523 1.00 0.00 C ATOM 761 O LEU A 73 1.933 7.533 6.568 1.00 0.00 O ATOM 762 CB LEU A 73 3.409 5.258 8.277 1.00 0.00 C ATOM 763 CG LEU A 73 3.486 4.194 9.377 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.224 2.963 8.875 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.167 4.755 10.617 1.00 0.00 C ATOM 0 H LEU A 73 0.870 5.345 8.339 1.00 0.00 H new ATOM 0 HA LEU A 73 2.994 6.937 9.553 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.977 4.805 7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.422 5.567 8.020 1.00 0.00 H new ATOM 0 HG LEU A 73 2.471 3.902 9.645 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.270 2.217 9.669 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.696 2.547 8.017 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.236 3.241 8.579 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.212 3.985 11.387 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.178 5.075 10.364 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.599 5.608 10.990 1.00 0.00 H new ATOM 777 N CYS A 74 3.687 8.435 7.655 1.00 0.00 N ATOM 778 CA CYS A 74 3.910 9.483 6.665 1.00 0.00 C ATOM 779 C CYS A 74 4.840 8.998 5.556 1.00 0.00 C ATOM 780 O CYS A 74 5.140 7.808 5.461 1.00 0.00 O ATOM 781 CB CYS A 74 4.497 10.727 7.336 1.00 0.00 C ATOM 782 SG CYS A 74 3.449 11.431 8.631 1.00 0.00 S ATOM 0 H CYS A 74 4.337 8.454 8.440 1.00 0.00 H new ATOM 0 HA CYS A 74 2.949 9.738 6.218 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.466 10.472 7.766 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.676 11.487 6.575 1.00 0.00 H new ATOM 0 HG CYS A 74 4.031 12.476 9.140 1.00 0.00 H new ATOM 788 N LEU A 75 5.294 9.928 4.720 1.00 0.00 N ATOM 789 CA LEU A 75 6.186 9.594 3.613 1.00 0.00 C ATOM 790 C LEU A 75 7.546 9.128 4.119 1.00 0.00 C ATOM 791 O LEU A 75 8.314 8.513 3.378 1.00 0.00 O ATOM 792 CB LEU A 75 6.365 10.800 2.690 1.00 0.00 C ATOM 793 CG LEU A 75 5.127 11.191 1.883 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.358 12.510 1.164 1.00 0.00 C ATOM 795 CD2 LEU A 75 4.774 10.097 0.887 1.00 0.00 C ATOM 0 H LEU A 75 5.059 10.918 4.788 1.00 0.00 H new ATOM 0 HA LEU A 75 5.729 8.777 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.672 11.655 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.179 10.589 1.997 1.00 0.00 H new ATOM 0 HG LEU A 75 4.290 11.314 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.467 12.774 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.566 13.291 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.206 12.411 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.890 10.392 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.609 9.944 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.569 9.170 1.422 1.00 0.00 H new ATOM 807 N GLN A 76 7.843 9.428 5.378 1.00 0.00 N ATOM 808 CA GLN A 76 9.113 9.035 5.977 1.00 0.00 C ATOM 809 C GLN A 76 9.279 7.519 5.948 1.00 0.00 C ATOM 810 O GLN A 76 10.282 7.004 5.454 1.00 0.00 O ATOM 811 CB GLN A 76 9.205 9.551 7.413 1.00 0.00 C ATOM 812 CG GLN A 76 9.241 11.067 7.511 1.00 0.00 C ATOM 813 CD GLN A 76 9.272 11.563 8.943 1.00 0.00 C ATOM 814 OE1 GLN A 76 9.786 10.889 9.835 1.00 0.00 O ATOM 815 NE2 GLN A 76 8.722 12.751 9.169 1.00 0.00 N ATOM 0 H GLN A 76 7.222 9.942 6.003 1.00 0.00 H new ATOM 0 HA GLN A 76 9.919 9.479 5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.352 9.178 7.980 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.101 9.143 7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.119 11.440 6.983 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.367 11.480 7.007 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.307 13.276 8.399 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.715 13.138 10.113 1.00 0.00 H new ATOM 824 N ASP A 77 8.286 6.811 6.477 1.00 0.00 N ATOM 825 CA ASP A 77 8.320 5.353 6.507 1.00 0.00 C ATOM 826 C ASP A 77 8.194 4.783 5.099 1.00 0.00 C ATOM 827 O ASP A 77 8.625 3.661 4.832 1.00 0.00 O ATOM 828 CB ASP A 77 7.199 4.811 7.395 1.00 0.00 C ATOM 829 CG ASP A 77 7.349 5.237 8.842 1.00 0.00 C ATOM 830 OD1 ASP A 77 6.918 6.360 9.179 1.00 0.00 O ATOM 831 OD2 ASP A 77 7.897 4.447 9.640 1.00 0.00 O ATOM 0 H ASP A 77 7.449 7.223 6.890 1.00 0.00 H new ATOM 0 HA ASP A 77 9.279 5.043 6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.238 5.158 7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.189 3.722 7.339 1.00 0.00 H new ATOM 836 N CYS A 78 7.602 5.563 4.199 1.00 0.00 N ATOM 837 CA CYS A 78 7.420 5.139 2.816 1.00 0.00 C ATOM 838 C CYS A 78 8.722 5.273 2.032 1.00 0.00 C ATOM 839 O CYS A 78 8.965 4.528 1.083 1.00 0.00 O ATOM 840 CB CYS A 78 6.320 5.965 2.146 1.00 0.00 C ATOM 841 SG CYS A 78 4.707 5.836 2.953 1.00 0.00 S ATOM 0 H CYS A 78 7.240 6.494 4.404 1.00 0.00 H new ATOM 0 HA CYS A 78 7.124 4.090 2.820 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.624 7.012 2.131 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.222 5.646 1.108 1.00 0.00 H new ATOM 0 HG CYS A 78 4.693 6.584 4.016 1.00 0.00 H new ATOM 847 N GLN A 79 9.555 6.229 2.435 1.00 0.00 N ATOM 848 CA GLN A 79 10.832 6.452 1.769 1.00 0.00 C ATOM 849 C GLN A 79 11.830 5.374 2.169 1.00 0.00 C ATOM 850 O GLN A 79 12.637 4.925 1.354 1.00 0.00 O ATOM 851 CB GLN A 79 11.384 7.837 2.106 1.00 0.00 C ATOM 852 CG GLN A 79 12.532 8.265 1.205 1.00 0.00 C ATOM 853 CD GLN A 79 13.046 9.655 1.532 1.00 0.00 C ATOM 854 OE1 GLN A 79 13.941 9.820 2.360 1.00 0.00 O ATOM 855 NE2 GLN A 79 12.481 10.662 0.877 1.00 0.00 N ATOM 0 H GLN A 79 9.369 6.858 3.216 1.00 0.00 H new ATOM 0 HA GLN A 79 10.671 6.400 0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.580 8.569 2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.723 7.843 3.142 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.348 7.549 1.299 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.203 8.239 0.166 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.742 10.478 0.199 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.786 11.619 1.052 1.00 0.00 H new ATOM 864 N ASP A 80 11.771 4.961 3.433 1.00 0.00 N ATOM 865 CA ASP A 80 12.655 3.919 3.937 1.00 0.00 C ATOM 866 C ASP A 80 12.304 2.588 3.287 1.00 0.00 C ATOM 867 O ASP A 80 13.076 1.632 3.337 1.00 0.00 O ATOM 868 CB ASP A 80 12.531 3.806 5.457 1.00 0.00 C ATOM 869 CG ASP A 80 13.471 2.767 6.039 1.00 0.00 C ATOM 870 OD1 ASP A 80 13.067 1.588 6.135 1.00 0.00 O ATOM 871 OD2 ASP A 80 14.609 3.132 6.399 1.00 0.00 O ATOM 0 H ASP A 80 11.120 5.333 4.125 1.00 0.00 H new ATOM 0 HA ASP A 80 13.684 4.180 3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.741 4.775 5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.504 3.549 5.717 1.00 0.00 H new ATOM 876 N LEU A 81 11.125 2.544 2.677 1.00 0.00 N ATOM 877 CA LEU A 81 10.641 1.346 2.009 1.00 0.00 C ATOM 878 C LEU A 81 11.068 1.326 0.544 1.00 0.00 C ATOM 879 O LEU A 81 10.971 0.299 -0.128 1.00 0.00 O ATOM 880 CB LEU A 81 9.115 1.276 2.124 1.00 0.00 C ATOM 881 CG LEU A 81 8.579 0.421 3.280 1.00 0.00 C ATOM 882 CD1 LEU A 81 9.410 0.617 4.542 1.00 0.00 C ATOM 883 CD2 LEU A 81 7.122 0.756 3.554 1.00 0.00 C ATOM 0 H LEU A 81 10.482 3.335 2.633 1.00 0.00 H new ATOM 0 HA LEU A 81 11.079 0.474 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.729 2.289 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.715 0.884 1.189 1.00 0.00 H new ATOM 0 HG LEU A 81 8.653 -0.626 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.006 -0.002 5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.443 0.328 4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.377 1.665 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.756 0.142 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.035 1.809 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.529 0.558 2.661 1.00 0.00 H new ATOM 895 N CYS A 82 11.538 2.470 0.058 1.00 0.00 N ATOM 896 CA CYS A 82 11.989 2.591 -1.324 1.00 0.00 C ATOM 897 C CYS A 82 13.512 2.565 -1.399 1.00 0.00 C ATOM 898 O CYS A 82 14.196 2.791 -0.399 1.00 0.00 O ATOM 899 CB CYS A 82 11.457 3.886 -1.945 1.00 0.00 C ATOM 900 SG CYS A 82 12.021 4.180 -3.637 1.00 0.00 S ATOM 0 H CYS A 82 11.617 3.329 0.602 1.00 0.00 H new ATOM 0 HA CYS A 82 11.599 1.742 -1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 82 10.367 3.859 -1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 82 11.760 4.727 -1.321 1.00 0.00 H new ATOM 0 HG CYS A 82 11.857 5.434 -3.937 1.00 0.00 H new ATOM 906 N ASP A 83 14.039 2.287 -2.587 1.00 0.00 N ATOM 907 CA ASP A 83 15.481 2.234 -2.792 1.00 0.00 C ATOM 908 C ASP A 83 16.120 3.597 -2.541 1.00 0.00 C ATOM 909 O ASP A 83 17.324 3.695 -2.303 1.00 0.00 O ATOM 910 CB ASP A 83 15.796 1.764 -4.214 1.00 0.00 C ATOM 911 CG ASP A 83 17.281 1.551 -4.437 1.00 0.00 C ATOM 912 OD1 ASP A 83 17.978 2.531 -4.773 1.00 0.00 O ATOM 913 OD2 ASP A 83 17.746 0.403 -4.275 1.00 0.00 O ATOM 0 H ASP A 83 13.488 2.095 -3.423 1.00 0.00 H new ATOM 0 HA ASP A 83 15.898 1.523 -2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.264 0.833 -4.412 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.426 2.500 -4.927 1.00 0.00 H new ATOM 918 N GLY A 84 15.305 4.647 -2.592 1.00 0.00 N ATOM 919 CA GLY A 84 15.808 5.990 -2.370 1.00 0.00 C ATOM 920 C GLY A 84 15.162 7.014 -3.282 1.00 0.00 C ATOM 921 O GLY A 84 15.562 8.178 -3.302 1.00 0.00 O ATOM 0 H GLY A 84 14.305 4.591 -2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.633 6.272 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.887 6.000 -2.526 1.00 0.00 H new ATOM 925 N ASP A 85 14.159 6.579 -4.039 1.00 0.00 N ATOM 926 CA ASP A 85 13.453 7.465 -4.957 1.00 0.00 C ATOM 927 C ASP A 85 12.218 8.060 -4.288 1.00 0.00 C ATOM 928 O ASP A 85 11.306 7.337 -3.890 1.00 0.00 O ATOM 929 CB ASP A 85 13.052 6.706 -6.223 1.00 0.00 C ATOM 930 CG ASP A 85 12.401 7.606 -7.255 1.00 0.00 C ATOM 931 OD1 ASP A 85 13.137 8.311 -7.977 1.00 0.00 O ATOM 932 OD2 ASP A 85 11.156 7.607 -7.339 1.00 0.00 O ATOM 0 H ASP A 85 13.817 5.618 -4.034 1.00 0.00 H new ATOM 0 HA ASP A 85 14.123 8.279 -5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.935 6.239 -6.658 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.364 5.903 -5.959 1.00 0.00 H new ATOM 937 N LEU A 86 12.197 9.384 -4.167 1.00 0.00 N ATOM 938 CA LEU A 86 11.077 10.079 -3.541 1.00 0.00 C ATOM 939 C LEU A 86 9.789 9.873 -4.332 1.00 0.00 C ATOM 940 O LEU A 86 8.743 9.569 -3.759 1.00 0.00 O ATOM 941 CB LEU A 86 11.382 11.574 -3.417 1.00 0.00 C ATOM 942 CG LEU A 86 10.264 12.417 -2.796 1.00 0.00 C ATOM 943 CD1 LEU A 86 10.028 12.013 -1.349 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.600 13.898 -2.889 1.00 0.00 C ATOM 0 H LEU A 86 12.943 9.997 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 86 10.936 9.659 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.284 11.696 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.604 11.967 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 86 9.346 12.235 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.230 12.624 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.742 10.962 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.943 12.163 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.795 14.482 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.530 14.094 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.716 14.180 -3.936 1.00 0.00 H new ATOM 956 N ASN A 87 9.871 10.040 -5.649 1.00 0.00 N ATOM 957 CA ASN A 87 8.710 9.880 -6.522 1.00 0.00 C ATOM 958 C ASN A 87 8.018 8.540 -6.283 1.00 0.00 C ATOM 959 O ASN A 87 6.803 8.421 -6.444 1.00 0.00 O ATOM 960 CB ASN A 87 9.130 9.995 -7.989 1.00 0.00 C ATOM 961 CG ASN A 87 7.968 9.798 -8.943 1.00 0.00 C ATOM 962 OD1 ASN A 87 6.823 10.112 -8.620 1.00 0.00 O ATOM 963 ND2 ASN A 87 8.260 9.275 -10.129 1.00 0.00 N ATOM 0 H ASN A 87 10.732 10.287 -6.137 1.00 0.00 H new ATOM 0 HA ASN A 87 8.003 10.676 -6.287 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.574 10.975 -8.160 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.900 9.254 -8.202 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.520 9.119 -10.814 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.224 9.029 -10.355 1.00 0.00 H new ATOM 970 N LYS A 88 8.798 7.536 -5.895 1.00 0.00 N ATOM 971 CA LYS A 88 8.269 6.210 -5.634 1.00 0.00 C ATOM 972 C LYS A 88 7.414 6.206 -4.370 1.00 0.00 C ATOM 973 O LYS A 88 6.279 5.725 -4.377 1.00 0.00 O ATOM 974 CB LYS A 88 9.423 5.225 -5.487 1.00 0.00 C ATOM 975 CG LYS A 88 9.496 4.187 -6.596 1.00 0.00 C ATOM 976 CD LYS A 88 9.299 2.779 -6.057 1.00 0.00 C ATOM 977 CE LYS A 88 9.615 1.729 -7.111 1.00 0.00 C ATOM 978 NZ LYS A 88 11.025 1.816 -7.577 1.00 0.00 N ATOM 0 H LYS A 88 9.805 7.621 -5.755 1.00 0.00 H new ATOM 0 HA LYS A 88 7.638 5.912 -6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.360 5.781 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.330 4.713 -4.529 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.734 4.400 -7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.462 4.254 -7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.940 2.628 -5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.270 2.658 -5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.429 0.736 -6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.944 1.854 -7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.307 0.909 -8.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.110 2.572 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.645 2.028 -6.769 1.00 0.00 H new ATOM 992 N ALA A 89 7.967 6.747 -3.288 1.00 0.00 N ATOM 993 CA ALA A 89 7.259 6.806 -2.015 1.00 0.00 C ATOM 994 C ALA A 89 6.001 7.660 -2.120 1.00 0.00 C ATOM 995 O ALA A 89 5.038 7.455 -1.381 1.00 0.00 O ATOM 996 CB ALA A 89 8.173 7.342 -0.922 1.00 0.00 C ATOM 0 H ALA A 89 8.904 7.151 -3.268 1.00 0.00 H new ATOM 0 HA ALA A 89 6.956 5.792 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.629 7.380 0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.037 6.686 -0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.508 8.345 -1.187 1.00 0.00 H new ATOM 1002 N ILE A 90 6.011 8.622 -3.040 1.00 0.00 N ATOM 1003 CA ILE A 90 4.862 9.497 -3.236 1.00 0.00 C ATOM 1004 C ILE A 90 3.682 8.717 -3.805 1.00 0.00 C ATOM 1005 O ILE A 90 2.599 8.704 -3.222 1.00 0.00 O ATOM 1006 CB ILE A 90 5.196 10.677 -4.172 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.302 11.542 -3.563 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.951 11.513 -4.437 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.804 12.628 -4.490 1.00 0.00 C ATOM 0 H ILE A 90 6.799 8.813 -3.658 1.00 0.00 H new ATOM 0 HA ILE A 90 4.595 9.898 -2.258 1.00 0.00 H new ATOM 0 HB ILE A 90 5.552 10.278 -5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.929 12.001 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.138 10.902 -3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.203 12.342 -5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.189 10.892 -4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.569 11.905 -3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.586 13.200 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.208 12.175 -5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.980 13.292 -4.752 1.00 0.00 H new ATOM 1021 N LYS A 91 3.898 8.067 -4.946 1.00 0.00 N ATOM 1022 CA LYS A 91 2.850 7.277 -5.585 1.00 0.00 C ATOM 1023 C LYS A 91 2.336 6.204 -4.633 1.00 0.00 C ATOM 1024 O LYS A 91 1.185 5.778 -4.719 1.00 0.00 O ATOM 1025 CB LYS A 91 3.372 6.633 -6.871 1.00 0.00 C ATOM 1026 CG LYS A 91 3.671 7.633 -7.979 1.00 0.00 C ATOM 1027 CD LYS A 91 2.401 8.292 -8.499 1.00 0.00 C ATOM 1028 CE LYS A 91 1.500 7.293 -9.210 1.00 0.00 C ATOM 1029 NZ LYS A 91 2.177 6.666 -10.378 1.00 0.00 N ATOM 0 H LYS A 91 4.787 8.072 -5.446 1.00 0.00 H new ATOM 0 HA LYS A 91 2.026 7.944 -5.839 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.280 6.074 -6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.636 5.914 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.351 8.398 -7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.180 7.127 -8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.859 8.744 -7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.663 9.098 -9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.194 6.517 -8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.593 7.796 -9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.468 6.210 -10.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.681 7.396 -10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.856 5.953 -10.044 1.00 0.00 H new ATOM 1043 N PHE A 92 3.205 5.773 -3.725 1.00 0.00 N ATOM 1044 CA PHE A 92 2.853 4.758 -2.741 1.00 0.00 C ATOM 1045 C PHE A 92 1.756 5.276 -1.814 1.00 0.00 C ATOM 1046 O PHE A 92 0.650 4.730 -1.772 1.00 0.00 O ATOM 1047 CB PHE A 92 4.100 4.370 -1.937 1.00 0.00 C ATOM 1048 CG PHE A 92 3.879 3.274 -0.933 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.328 2.059 -1.315 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.237 3.454 0.393 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.137 1.048 -0.392 1.00 0.00 C ATOM 1052 CE2 PHE A 92 4.046 2.447 1.321 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.496 1.242 0.927 1.00 0.00 C ATOM 0 H PHE A 92 4.164 6.114 -3.651 1.00 0.00 H new ATOM 0 HA PHE A 92 2.474 3.875 -3.255 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.881 4.058 -2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.470 5.253 -1.416 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.045 1.902 -2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.671 4.392 0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.707 0.107 -0.702 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.326 2.602 2.352 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.347 0.453 1.650 1.00 0.00 H new ATOM 1063 N LYS A 93 2.066 6.344 -1.083 1.00 0.00 N ATOM 1064 CA LYS A 93 1.113 6.945 -0.157 1.00 0.00 C ATOM 1065 C LYS A 93 -0.147 7.397 -0.888 1.00 0.00 C ATOM 1066 O LYS A 93 -1.225 7.469 -0.297 1.00 0.00 O ATOM 1067 CB LYS A 93 1.752 8.135 0.561 1.00 0.00 C ATOM 1068 CG LYS A 93 0.889 8.710 1.673 1.00 0.00 C ATOM 1069 CD LYS A 93 1.502 9.970 2.266 1.00 0.00 C ATOM 1070 CE LYS A 93 1.404 11.145 1.306 1.00 0.00 C ATOM 1071 NZ LYS A 93 -0.009 11.525 1.034 1.00 0.00 N ATOM 0 H LYS A 93 2.972 6.811 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 93 0.834 6.190 0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.710 7.825 0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.961 8.919 -0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.103 8.937 1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.761 7.964 2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.995 10.218 3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.548 9.786 2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.936 12.000 1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.898 10.890 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.041 12.493 0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.418 10.867 0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.557 11.481 1.917 1.00 0.00 H new ATOM 1085 N ILE A 94 -0.005 7.705 -2.174 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.134 8.152 -2.982 1.00 0.00 C ATOM 1087 C ILE A 94 -2.180 7.053 -3.137 1.00 0.00 C ATOM 1088 O ILE A 94 -3.294 7.173 -2.628 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.685 8.612 -4.383 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.020 9.989 -4.301 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -1.875 8.641 -5.335 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.580 10.453 -5.611 1.00 0.00 C ATOM 0 H ILE A 94 0.880 7.653 -2.678 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.574 8.997 -2.453 1.00 0.00 H new ATOM 0 HB ILE A 94 0.046 7.902 -4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.758 10.720 -3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.763 9.960 -3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.544 8.968 -6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.306 7.643 -5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.627 9.334 -4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.033 11.435 -5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.342 9.743 -5.934 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.202 10.515 -6.368 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.819 5.992 -3.855 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.731 4.877 -4.086 1.00 0.00 C ATOM 1106 C LEU A 95 -3.367 4.421 -2.781 1.00 0.00 C ATOM 1107 O LEU A 95 -4.506 3.956 -2.762 1.00 0.00 O ATOM 1108 CB LEU A 95 -1.995 3.707 -4.743 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.378 4.010 -6.110 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -0.659 2.783 -6.650 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -2.445 4.475 -7.091 1.00 0.00 C ATOM 0 H LEU A 95 -0.901 5.882 -4.286 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.518 5.220 -4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.204 3.373 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.692 2.876 -4.853 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.652 4.814 -5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.225 3.014 -7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.133 2.492 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.369 1.962 -6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.985 4.685 -8.057 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.196 3.694 -7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.919 5.380 -6.711 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.621 4.555 -1.691 1.00 0.00 N ATOM 1124 CA ILE A 96 -3.117 4.161 -0.382 1.00 0.00 C ATOM 1125 C ILE A 96 -4.082 5.199 0.183 1.00 0.00 C ATOM 1126 O ILE A 96 -5.048 4.857 0.865 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.962 3.938 0.612 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.988 2.899 0.054 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.498 3.500 1.968 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.335 2.853 0.785 1.00 0.00 C ATOM 0 H ILE A 96 -1.673 4.933 -1.689 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.652 3.221 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.429 4.879 0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.454 1.915 0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.804 3.114 -0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.666 3.348 2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.160 4.270 2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.052 2.568 1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.974 2.094 0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.823 3.825 0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.163 2.607 1.833 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.814 6.468 -0.107 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.657 7.559 0.372 1.00 0.00 C ATOM 1144 C ASN A 97 -6.036 7.514 -0.278 1.00 0.00 C ATOM 1145 O ASN A 97 -7.050 7.746 0.379 1.00 0.00 O ATOM 1146 CB ASN A 97 -3.989 8.906 0.090 1.00 0.00 C ATOM 1147 CG ASN A 97 -4.831 10.079 0.556 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -4.706 10.536 1.691 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -5.697 10.570 -0.324 1.00 0.00 N ATOM 0 H ASN A 97 -3.019 6.767 -0.672 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.783 7.440 1.448 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.019 8.938 0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.802 8.999 -0.980 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.292 11.358 -0.069 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.767 10.159 -1.255 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.068 7.215 -1.574 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.326 7.138 -2.311 1.00 0.00 C ATOM 1158 C LYS A 98 -8.101 5.881 -1.931 1.00 0.00 C ATOM 1159 O LYS A 98 -9.305 5.934 -1.684 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.068 7.159 -3.820 1.00 0.00 C ATOM 1161 CG LYS A 98 -6.788 8.547 -4.378 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.483 9.117 -3.846 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.223 10.512 -4.390 1.00 0.00 C ATOM 1164 NZ LYS A 98 -6.299 11.467 -4.007 1.00 0.00 N ATOM 0 H LYS A 98 -5.238 7.022 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.925 8.009 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.221 6.511 -4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.934 6.740 -4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.747 8.500 -5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.609 9.215 -4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.516 9.150 -2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.659 8.459 -4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.266 10.875 -4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.145 10.469 -5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.973 12.441 -4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.146 11.285 -4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.531 11.343 -3.001 1.00 0.00 H new ATOM 1178 N MET A 99 -7.401 4.750 -1.889 1.00 0.00 N ATOM 1179 CA MET A 99 -8.023 3.480 -1.534 1.00 0.00 C ATOM 1180 C MET A 99 -8.642 3.561 -0.143 1.00 0.00 C ATOM 1181 O MET A 99 -9.718 3.015 0.103 1.00 0.00 O ATOM 1182 CB MET A 99 -6.989 2.350 -1.590 1.00 0.00 C ATOM 1183 CG MET A 99 -7.593 0.957 -1.497 1.00 0.00 C ATOM 1184 SD MET A 99 -8.002 0.480 0.193 1.00 0.00 S ATOM 1185 CE MET A 99 -6.370 0.405 0.929 1.00 0.00 C ATOM 0 H MET A 99 -6.404 4.688 -2.096 1.00 0.00 H new ATOM 0 HA MET A 99 -8.814 3.267 -2.253 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.427 2.430 -2.521 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.277 2.482 -0.775 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.494 0.916 -2.109 1.00 0.00 H new ATOM 0 HG3 MET A 99 -6.892 0.234 -1.913 1.00 0.00 H new ATOM 0 HE1 MET A 99 -6.378 -0.299 1.761 1.00 0.00 H new ATOM 0 HE2 MET A 99 -5.648 0.076 0.181 1.00 0.00 H new ATOM 0 HE3 MET A 99 -6.089 1.393 1.293 1.00 0.00 H new ATOM 1195 N ARG A 100 -7.955 4.252 0.762 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.433 4.417 2.129 1.00 0.00 C ATOM 1197 C ARG A 100 -9.540 5.464 2.191 1.00 0.00 C ATOM 1198 O ARG A 100 -10.424 5.397 3.045 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.273 4.817 3.047 1.00 0.00 C ATOM 1200 CG ARG A 100 -7.668 4.996 4.507 1.00 0.00 C ATOM 1201 CD ARG A 100 -8.052 6.436 4.815 1.00 0.00 C ATOM 1202 NE ARG A 100 -8.405 6.619 6.221 1.00 0.00 N ATOM 1203 CZ ARG A 100 -8.600 7.807 6.785 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -8.485 8.916 6.066 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -8.913 7.887 8.072 1.00 0.00 N ATOM 0 H ARG A 100 -7.063 4.708 0.571 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.842 3.466 2.469 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.495 4.057 2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.840 5.748 2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.505 4.338 4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.839 4.696 5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.222 7.095 4.561 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.895 6.729 4.188 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.508 5.788 6.803 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.246 8.859 5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.636 9.825 6.503 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.004 7.037 8.629 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.063 8.798 8.505 1.00 0.00 H new ATOM 1219 N ASP A 101 -9.485 6.430 1.280 1.00 0.00 N ATOM 1220 CA ASP A 101 -10.481 7.495 1.234 1.00 0.00 C ATOM 1221 C ASP A 101 -11.872 6.927 0.971 1.00 0.00 C ATOM 1222 O ASP A 101 -12.724 6.914 1.860 1.00 0.00 O ATOM 1223 CB ASP A 101 -10.121 8.518 0.155 1.00 0.00 C ATOM 1224 CG ASP A 101 -11.138 9.639 0.062 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -10.969 10.654 0.768 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -12.105 9.499 -0.716 1.00 0.00 O ATOM 0 H ASP A 101 -8.762 6.498 0.564 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.488 7.992 2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -9.139 8.939 0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.049 8.015 -0.809 1.00 0.00 H new