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= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.115 USER MOD Single : A 42 THR OG1 : rot 86:sc= 1.08 USER MOD Single : A 44 CYS SG : rot 134:sc= -2.48! USER MOD Single : A 46 SER OG : rot 56:sc= 1.22 USER MOD Single : A 47 THR OG1 : rot -53:sc= 1.17 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 57 CYS SG : rot -60:sc= -0.314 USER MOD Single : A 58 GLN : amide:sc= -0.884 K(o=-0.88,f=-0.00048) USER MOD Single : A 63 ASN : amide:sc=-0.00222 K(o=-0.0022,f=-0.91) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0241 K(o=-0.024,f=-0.6) USER MOD Single : A 78 CYS SG : rot 77:sc= 0.608 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 82 CYS SG : rot 73:sc= 0.382 USER MOD Single : A 87 ASN : amide:sc= -0.0303 K(o=-0.03,f=-1.6) USER MOD Single : A 88 LYS NZ :NH3+ -151:sc= -0.975 (180deg=-2.79) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= -0.0212 (180deg=-0.221) USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= -0.0438 (180deg=-0.272) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 98 LYS NZ :NH3+ 160:sc= -0.132 (180deg=-0.567) USER MOD Single : A 99 MET CE :methyl -107:sc= 0 (180deg=-1.59) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -7.151 -5.580 8.168 1.00 0.00 N ATOM 143 CA GLN A 34 -6.868 -6.998 8.365 1.00 0.00 C ATOM 144 C GLN A 34 -5.783 -7.479 7.403 1.00 0.00 C ATOM 145 O GLN A 34 -5.368 -8.638 7.447 1.00 0.00 O ATOM 146 CB GLN A 34 -8.144 -7.822 8.172 1.00 0.00 C ATOM 147 CG GLN A 34 -8.036 -9.248 8.688 1.00 0.00 C ATOM 148 CD GLN A 34 -9.347 -10.004 8.588 1.00 0.00 C ATOM 149 OE1 GLN A 34 -10.161 -9.981 9.510 1.00 0.00 O ATOM 150 NE2 GLN A 34 -9.557 -10.681 7.465 1.00 0.00 N ATOM 0 HA GLN A 34 -6.505 -7.134 9.384 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.969 -7.323 8.681 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.392 -7.847 7.111 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.271 -9.779 8.122 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.709 -9.231 9.728 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.855 -10.673 6.726 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -10.421 -11.209 7.342 1.00 0.00 H new ATOM 159 N TRP A 35 -5.326 -6.578 6.537 1.00 0.00 N ATOM 160 CA TRP A 35 -4.290 -6.908 5.563 1.00 0.00 C ATOM 161 C TRP A 35 -3.020 -7.402 6.251 1.00 0.00 C ATOM 162 O TRP A 35 -2.703 -6.986 7.365 1.00 0.00 O ATOM 163 CB TRP A 35 -3.971 -5.689 4.692 1.00 0.00 C ATOM 164 CG TRP A 35 -4.930 -5.492 3.555 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.176 -6.037 3.419 1.00 0.00 C ATOM 166 CD2 TRP A 35 -4.715 -4.691 2.388 1.00 0.00 C ATOM 167 NE1 TRP A 35 -6.746 -5.623 2.239 1.00 0.00 N ATOM 168 CE2 TRP A 35 -5.869 -4.797 1.589 1.00 0.00 C ATOM 169 CE3 TRP A 35 -3.660 -3.892 1.941 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -5.995 -4.136 0.372 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -3.785 -3.237 0.732 1.00 0.00 C ATOM 172 CH2 TRP A 35 -4.946 -3.362 -0.041 1.00 0.00 C ATOM 0 H TRP A 35 -5.657 -5.614 6.490 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.670 -7.711 4.931 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.974 -4.796 5.317 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.963 -5.794 4.291 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.644 -6.697 4.134 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.672 -5.888 1.902 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.762 -3.788 2.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.890 -4.231 -0.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.974 -2.618 0.377 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.014 -2.837 -0.982 1.00 0.00 H new ATOM 183 N SER A 36 -2.300 -8.294 5.576 1.00 0.00 N ATOM 184 CA SER A 36 -1.063 -8.849 6.113 1.00 0.00 C ATOM 185 C SER A 36 0.142 -8.360 5.316 1.00 0.00 C ATOM 186 O SER A 36 -0.005 -7.585 4.371 1.00 0.00 O ATOM 187 CB SER A 36 -1.119 -10.378 6.097 1.00 0.00 C ATOM 188 OG SER A 36 -1.307 -10.868 4.780 1.00 0.00 O ATOM 0 H SER A 36 -2.554 -8.648 4.654 1.00 0.00 H new ATOM 0 HA SER A 36 -0.955 -8.508 7.143 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.196 -10.783 6.511 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.932 -10.722 6.736 1.00 0.00 H new ATOM 0 HG SER A 36 -1.338 -11.847 4.797 1.00 0.00 H new ATOM 194 N VAL A 37 1.330 -8.814 5.701 1.00 0.00 N ATOM 195 CA VAL A 37 2.559 -8.418 5.021 1.00 0.00 C ATOM 196 C VAL A 37 2.503 -8.751 3.532 1.00 0.00 C ATOM 197 O VAL A 37 2.520 -7.857 2.686 1.00 0.00 O ATOM 198 CB VAL A 37 3.794 -9.105 5.642 1.00 0.00 C ATOM 199 CG1 VAL A 37 5.051 -8.777 4.849 1.00 0.00 C ATOM 200 CG2 VAL A 37 3.960 -8.696 7.096 1.00 0.00 C ATOM 0 H VAL A 37 1.468 -9.457 6.481 1.00 0.00 H new ATOM 0 HA VAL A 37 2.650 -7.339 5.145 1.00 0.00 H new ATOM 0 HB VAL A 37 3.637 -10.183 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.908 -9.272 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.935 -9.125 3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.211 -7.699 4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.836 -9.191 7.515 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.090 -7.615 7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.074 -8.988 7.660 1.00 0.00 H new ATOM 210 N ASP A 38 2.434 -10.042 3.222 1.00 0.00 N ATOM 211 CA ASP A 38 2.384 -10.499 1.836 1.00 0.00 C ATOM 212 C ASP A 38 1.192 -9.900 1.095 1.00 0.00 C ATOM 213 O ASP A 38 1.205 -9.791 -0.131 1.00 0.00 O ATOM 214 CB ASP A 38 2.315 -12.027 1.785 1.00 0.00 C ATOM 215 CG ASP A 38 3.527 -12.679 2.422 1.00 0.00 C ATOM 216 OD1 ASP A 38 3.518 -12.873 3.656 1.00 0.00 O ATOM 217 OD2 ASP A 38 4.485 -12.998 1.686 1.00 0.00 O ATOM 0 H ASP A 38 2.411 -10.792 3.913 1.00 0.00 H new ATOM 0 HA ASP A 38 3.295 -10.162 1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.413 -12.365 2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.234 -12.351 0.747 1.00 0.00 H new ATOM 222 N ASP A 39 0.163 -9.511 1.843 1.00 0.00 N ATOM 223 CA ASP A 39 -1.033 -8.927 1.247 1.00 0.00 C ATOM 224 C ASP A 39 -0.748 -7.523 0.717 1.00 0.00 C ATOM 225 O ASP A 39 -0.990 -7.233 -0.456 1.00 0.00 O ATOM 226 CB ASP A 39 -2.167 -8.879 2.271 1.00 0.00 C ATOM 227 CG ASP A 39 -3.494 -8.499 1.645 1.00 0.00 C ATOM 228 OD1 ASP A 39 -3.677 -7.309 1.318 1.00 0.00 O ATOM 229 OD2 ASP A 39 -4.349 -9.394 1.477 1.00 0.00 O ATOM 0 H ASP A 39 0.134 -9.590 2.860 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.336 -9.556 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.261 -9.853 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.918 -8.161 3.052 1.00 0.00 H new ATOM 234 N VAL A 40 -0.236 -6.658 1.588 1.00 0.00 N ATOM 235 CA VAL A 40 0.081 -5.284 1.211 1.00 0.00 C ATOM 236 C VAL A 40 1.124 -5.240 0.099 1.00 0.00 C ATOM 237 O VAL A 40 1.001 -4.465 -0.848 1.00 0.00 O ATOM 238 CB VAL A 40 0.607 -4.478 2.417 1.00 0.00 C ATOM 239 CG1 VAL A 40 0.880 -3.035 2.021 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.375 -4.545 3.576 1.00 0.00 C ATOM 0 H VAL A 40 -0.032 -6.885 2.561 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.846 -4.836 0.854 1.00 0.00 H new ATOM 0 HB VAL A 40 1.547 -4.923 2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.250 -2.484 2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.628 -3.010 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.042 -2.575 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.014 -3.970 4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.334 -4.129 3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.511 -5.583 3.878 1.00 0.00 H new ATOM 250 N ILE A 41 2.148 -6.079 0.223 1.00 0.00 N ATOM 251 CA ILE A 41 3.223 -6.135 -0.762 1.00 0.00 C ATOM 252 C ILE A 41 2.701 -6.491 -2.152 1.00 0.00 C ATOM 253 O ILE A 41 2.899 -5.741 -3.109 1.00 0.00 O ATOM 254 CB ILE A 41 4.300 -7.161 -0.354 1.00 0.00 C ATOM 255 CG1 ILE A 41 4.922 -6.768 0.989 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.370 -7.267 -1.431 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.862 -7.813 1.554 1.00 0.00 C ATOM 0 H ILE A 41 2.256 -6.732 0.999 1.00 0.00 H new ATOM 0 HA ILE A 41 3.664 -5.139 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 41 3.829 -8.138 -0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.466 -5.831 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.124 -6.583 1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.122 -7.995 -1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.913 -7.587 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.843 -6.295 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.264 -7.465 2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.319 -8.745 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.681 -7.982 0.855 1.00 0.00 H new ATOM 269 N THR A 42 2.038 -7.638 -2.255 1.00 0.00 N ATOM 270 CA THR A 42 1.498 -8.103 -3.529 1.00 0.00 C ATOM 271 C THR A 42 0.603 -7.053 -4.181 1.00 0.00 C ATOM 272 O THR A 42 0.901 -6.567 -5.271 1.00 0.00 O ATOM 273 CB THR A 42 0.701 -9.410 -3.358 1.00 0.00 C ATOM 274 OG1 THR A 42 1.545 -10.429 -2.807 1.00 0.00 O ATOM 275 CG2 THR A 42 0.138 -9.880 -4.690 1.00 0.00 C ATOM 0 H THR A 42 1.861 -8.265 -1.470 1.00 0.00 H new ATOM 0 HA THR A 42 2.354 -8.287 -4.178 1.00 0.00 H new ATOM 0 HB THR A 42 -0.129 -9.217 -2.678 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.550 -10.356 -1.830 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.421 -10.804 -4.543 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.525 -9.116 -5.095 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.956 -10.057 -5.388 1.00 0.00 H new ATOM 283 N TRP A 43 -0.493 -6.708 -3.510 1.00 0.00 N ATOM 284 CA TRP A 43 -1.438 -5.724 -4.033 1.00 0.00 C ATOM 285 C TRP A 43 -0.731 -4.443 -4.468 1.00 0.00 C ATOM 286 O TRP A 43 -1.052 -3.872 -5.511 1.00 0.00 O ATOM 287 CB TRP A 43 -2.506 -5.400 -2.984 1.00 0.00 C ATOM 288 CG TRP A 43 -3.462 -4.332 -3.422 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.586 -4.497 -4.179 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.376 -2.933 -3.131 1.00 0.00 C ATOM 291 NE1 TRP A 43 -5.204 -3.286 -4.377 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.481 -2.311 -3.742 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.472 -2.146 -2.412 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.704 -0.939 -3.656 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.696 -0.785 -2.326 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.804 -0.193 -2.946 1.00 0.00 C ATOM 0 H TRP A 43 -0.749 -7.096 -2.602 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.916 -6.161 -4.910 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.066 -6.306 -2.753 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.017 -5.084 -2.063 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.938 -5.442 -4.566 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.061 -3.137 -4.910 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.614 -2.593 -1.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.557 -0.480 -4.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.005 -0.167 -1.771 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.950 0.874 -2.862 1.00 0.00 H new ATOM 307 N CYS A 44 0.230 -3.995 -3.665 1.00 0.00 N ATOM 308 CA CYS A 44 0.976 -2.778 -3.972 1.00 0.00 C ATOM 309 C CYS A 44 1.654 -2.878 -5.334 1.00 0.00 C ATOM 310 O CYS A 44 1.291 -2.169 -6.269 1.00 0.00 O ATOM 311 CB CYS A 44 2.020 -2.510 -2.889 1.00 0.00 C ATOM 312 SG CYS A 44 2.903 -0.944 -3.086 1.00 0.00 S ATOM 0 H CYS A 44 0.510 -4.455 -2.799 1.00 0.00 H new ATOM 0 HA CYS A 44 0.269 -1.949 -4.002 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.529 -2.518 -1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.744 -3.325 -2.887 1.00 0.00 H new ATOM 0 HG CYS A 44 2.955 -0.328 -1.942 1.00 0.00 H new ATOM 318 N ILE A 45 2.635 -3.768 -5.435 1.00 0.00 N ATOM 319 CA ILE A 45 3.378 -3.971 -6.676 1.00 0.00 C ATOM 320 C ILE A 45 2.447 -4.269 -7.850 1.00 0.00 C ATOM 321 O ILE A 45 2.750 -3.932 -8.995 1.00 0.00 O ATOM 322 CB ILE A 45 4.374 -5.136 -6.531 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.285 -4.912 -5.322 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.196 -5.293 -7.800 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.159 -6.103 -4.991 1.00 0.00 C ATOM 0 H ILE A 45 2.937 -4.366 -4.666 1.00 0.00 H new ATOM 0 HA ILE A 45 3.915 -3.044 -6.876 1.00 0.00 H new ATOM 0 HB ILE A 45 3.811 -6.056 -6.371 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.921 -4.047 -5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.670 -4.671 -4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.895 -6.121 -7.681 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.532 -5.497 -8.640 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.751 -4.374 -7.990 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.777 -5.871 -4.124 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.530 -6.965 -4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.800 -6.332 -5.842 1.00 0.00 H new ATOM 337 N SER A 46 1.315 -4.898 -7.557 1.00 0.00 N ATOM 338 CA SER A 46 0.346 -5.260 -8.589 1.00 0.00 C ATOM 339 C SER A 46 -0.183 -4.035 -9.333 1.00 0.00 C ATOM 340 O SER A 46 -0.821 -4.171 -10.378 1.00 0.00 O ATOM 341 CB SER A 46 -0.819 -6.035 -7.970 1.00 0.00 C ATOM 342 OG SER A 46 -0.383 -7.273 -7.437 1.00 0.00 O ATOM 0 H SER A 46 1.044 -5.169 -6.612 1.00 0.00 H new ATOM 0 HA SER A 46 0.862 -5.890 -9.313 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.279 -5.438 -7.182 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.585 -6.210 -8.725 1.00 0.00 H new ATOM 0 HG SER A 46 0.341 -7.116 -6.795 1.00 0.00 H new ATOM 348 N THR A 47 0.079 -2.843 -8.803 1.00 0.00 N ATOM 349 CA THR A 47 -0.394 -1.617 -9.440 1.00 0.00 C ATOM 350 C THR A 47 0.336 -0.378 -8.925 1.00 0.00 C ATOM 351 O THR A 47 -0.152 0.742 -9.077 1.00 0.00 O ATOM 352 CB THR A 47 -1.908 -1.437 -9.215 1.00 0.00 C ATOM 353 OG1 THR A 47 -2.354 -0.200 -9.784 1.00 0.00 O ATOM 354 CG2 THR A 47 -2.242 -1.471 -7.731 1.00 0.00 C ATOM 0 H THR A 47 0.610 -2.700 -7.944 1.00 0.00 H new ATOM 0 HA THR A 47 -0.185 -1.719 -10.505 1.00 0.00 H new ATOM 0 HB THR A 47 -2.422 -2.262 -9.707 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.799 0.534 -9.446 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.316 -1.342 -7.597 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.936 -2.429 -7.311 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.713 -0.666 -7.221 1.00 0.00 H new ATOM 362 N LEU A 48 1.514 -0.565 -8.333 1.00 0.00 N ATOM 363 CA LEU A 48 2.270 0.566 -7.806 1.00 0.00 C ATOM 364 C LEU A 48 3.161 1.193 -8.874 1.00 0.00 C ATOM 365 O LEU A 48 2.888 2.295 -9.351 1.00 0.00 O ATOM 366 CB LEU A 48 3.134 0.124 -6.628 1.00 0.00 C ATOM 367 CG LEU A 48 3.961 1.236 -5.985 1.00 0.00 C ATOM 368 CD1 LEU A 48 3.102 2.070 -5.048 1.00 0.00 C ATOM 369 CD2 LEU A 48 5.146 0.651 -5.244 1.00 0.00 C ATOM 0 H LEU A 48 1.959 -1.474 -8.208 1.00 0.00 H new ATOM 0 HA LEU A 48 1.548 1.313 -7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.489 -0.315 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.809 -0.662 -6.966 1.00 0.00 H new ATOM 0 HG LEU A 48 4.335 1.888 -6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.710 2.856 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.283 2.520 -5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.697 1.433 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.725 1.456 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.791 -0.023 -4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.775 0.099 -5.942 1.00 0.00 H new ATOM 381 N GLU A 49 4.224 0.488 -9.250 1.00 0.00 N ATOM 382 CA GLU A 49 5.148 0.988 -10.261 1.00 0.00 C ATOM 383 C GLU A 49 5.683 -0.135 -11.145 1.00 0.00 C ATOM 384 O GLU A 49 5.395 -0.193 -12.340 1.00 0.00 O ATOM 385 CB GLU A 49 6.314 1.724 -9.598 1.00 0.00 C ATOM 386 CG GLU A 49 7.351 2.239 -10.584 1.00 0.00 C ATOM 387 CD GLU A 49 6.769 3.215 -11.589 1.00 0.00 C ATOM 388 OE1 GLU A 49 6.311 2.763 -12.659 1.00 0.00 O ATOM 389 OE2 GLU A 49 6.771 4.431 -11.305 1.00 0.00 O ATOM 0 H GLU A 49 4.466 -0.428 -8.871 1.00 0.00 H new ATOM 0 HA GLU A 49 4.593 1.680 -10.895 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.923 2.564 -9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.800 1.053 -8.890 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.157 2.726 -10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.791 1.395 -11.116 1.00 0.00 H new ATOM 396 N VAL A 50 6.463 -1.026 -10.538 1.00 0.00 N ATOM 397 CA VAL A 50 7.076 -2.134 -11.262 1.00 0.00 C ATOM 398 C VAL A 50 6.411 -3.468 -10.934 1.00 0.00 C ATOM 399 O VAL A 50 5.319 -3.511 -10.367 1.00 0.00 O ATOM 400 CB VAL A 50 8.581 -2.232 -10.938 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.295 -0.945 -11.322 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.792 -2.545 -9.465 1.00 0.00 C ATOM 0 H VAL A 50 6.685 -1.001 -9.543 1.00 0.00 H new ATOM 0 HA VAL A 50 6.938 -1.929 -12.324 1.00 0.00 H new ATOM 0 HB VAL A 50 9.006 -3.047 -11.524 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.356 -1.033 -11.086 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.175 -0.767 -12.391 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.867 -0.111 -10.765 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.860 -2.610 -9.256 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.351 -1.754 -8.858 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.316 -3.496 -9.223 1.00 0.00 H new ATOM 412 N GLU A 51 7.087 -4.555 -11.302 1.00 0.00 N ATOM 413 CA GLU A 51 6.585 -5.903 -11.054 1.00 0.00 C ATOM 414 C GLU A 51 7.247 -6.496 -9.815 1.00 0.00 C ATOM 415 O GLU A 51 8.037 -5.827 -9.149 1.00 0.00 O ATOM 416 CB GLU A 51 6.858 -6.795 -12.264 1.00 0.00 C ATOM 417 CG GLU A 51 8.313 -6.779 -12.706 1.00 0.00 C ATOM 418 CD GLU A 51 8.602 -7.793 -13.796 1.00 0.00 C ATOM 419 OE1 GLU A 51 8.774 -8.985 -13.467 1.00 0.00 O ATOM 420 OE2 GLU A 51 8.656 -7.395 -14.979 1.00 0.00 O ATOM 0 H GLU A 51 7.990 -4.526 -11.776 1.00 0.00 H new ATOM 0 HA GLU A 51 5.509 -5.848 -10.886 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.569 -7.818 -12.025 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.230 -6.472 -13.094 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.569 -5.782 -13.065 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.952 -6.982 -11.847 1.00 0.00 H new ATOM 427 N GLU A 52 6.921 -7.749 -9.504 1.00 0.00 N ATOM 428 CA GLU A 52 7.497 -8.405 -8.336 1.00 0.00 C ATOM 429 C GLU A 52 8.933 -8.838 -8.611 1.00 0.00 C ATOM 430 O GLU A 52 9.214 -10.022 -8.805 1.00 0.00 O ATOM 431 CB GLU A 52 6.653 -9.616 -7.932 1.00 0.00 C ATOM 432 CG GLU A 52 5.219 -9.266 -7.568 1.00 0.00 C ATOM 433 CD GLU A 52 4.401 -10.485 -7.194 1.00 0.00 C ATOM 434 OE1 GLU A 52 4.386 -10.846 -5.999 1.00 0.00 O ATOM 435 OE2 GLU A 52 3.773 -11.079 -8.096 1.00 0.00 O ATOM 0 H GLU A 52 6.269 -8.323 -10.038 1.00 0.00 H new ATOM 0 HA GLU A 52 7.502 -7.689 -7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.646 -10.333 -8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.124 -10.109 -7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.220 -8.564 -6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.747 -8.760 -8.410 1.00 0.00 H new ATOM 442 N THR A 53 9.832 -7.862 -8.635 1.00 0.00 N ATOM 443 CA THR A 53 11.247 -8.115 -8.872 1.00 0.00 C ATOM 444 C THR A 53 12.098 -7.191 -8.010 1.00 0.00 C ATOM 445 O THR A 53 13.050 -7.623 -7.358 1.00 0.00 O ATOM 446 CB THR A 53 11.621 -7.914 -10.352 1.00 0.00 C ATOM 447 OG1 THR A 53 11.362 -6.561 -10.745 1.00 0.00 O ATOM 448 CG2 THR A 53 10.835 -8.863 -11.242 1.00 0.00 C ATOM 0 H THR A 53 9.602 -6.879 -8.492 1.00 0.00 H new ATOM 0 HA THR A 53 11.441 -9.154 -8.606 1.00 0.00 H new ATOM 0 HB THR A 53 12.684 -8.128 -10.466 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.604 -6.442 -11.687 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.116 -8.702 -12.283 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.056 -9.893 -10.961 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.768 -8.675 -11.121 1.00 0.00 H new ATOM 456 N ASP A 54 11.738 -5.912 -8.023 1.00 0.00 N ATOM 457 CA ASP A 54 12.442 -4.894 -7.254 1.00 0.00 C ATOM 458 C ASP A 54 12.454 -5.251 -5.764 1.00 0.00 C ATOM 459 O ASP A 54 11.487 -5.814 -5.251 1.00 0.00 O ATOM 460 CB ASP A 54 11.767 -3.535 -7.473 1.00 0.00 C ATOM 461 CG ASP A 54 12.420 -2.414 -6.687 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.399 -1.827 -7.193 1.00 0.00 O ATOM 463 OD2 ASP A 54 11.953 -2.123 -5.567 1.00 0.00 O ATOM 0 H ASP A 54 10.952 -5.553 -8.565 1.00 0.00 H new ATOM 0 HA ASP A 54 13.476 -4.843 -7.595 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.793 -3.290 -8.535 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.717 -3.607 -7.188 1.00 0.00 H new ATOM 468 N PRO A 55 13.555 -4.934 -5.048 1.00 0.00 N ATOM 469 CA PRO A 55 13.685 -5.228 -3.611 1.00 0.00 C ATOM 470 C PRO A 55 12.584 -4.589 -2.762 1.00 0.00 C ATOM 471 O PRO A 55 12.566 -4.750 -1.542 1.00 0.00 O ATOM 472 CB PRO A 55 15.051 -4.639 -3.234 1.00 0.00 C ATOM 473 CG PRO A 55 15.396 -3.705 -4.343 1.00 0.00 C ATOM 474 CD PRO A 55 14.767 -4.282 -5.575 1.00 0.00 C ATOM 0 HA PRO A 55 13.597 -6.298 -3.424 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.004 -4.115 -2.279 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.802 -5.422 -3.131 1.00 0.00 H new ATOM 0 HG2 PRO A 55 15.016 -2.703 -4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.476 -3.619 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.526 -3.510 -6.306 1.00 0.00 H new ATOM 0 HD3 PRO A 55 15.427 -4.994 -6.070 1.00 0.00 H new ATOM 482 N LEU A 56 11.675 -3.861 -3.408 1.00 0.00 N ATOM 483 CA LEU A 56 10.571 -3.209 -2.708 1.00 0.00 C ATOM 484 C LEU A 56 9.857 -4.191 -1.780 1.00 0.00 C ATOM 485 O LEU A 56 9.480 -3.843 -0.661 1.00 0.00 O ATOM 486 CB LEU A 56 9.575 -2.634 -3.721 1.00 0.00 C ATOM 487 CG LEU A 56 8.312 -2.007 -3.123 1.00 0.00 C ATOM 488 CD1 LEU A 56 8.569 -0.567 -2.701 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.167 -2.074 -4.120 1.00 0.00 C ATOM 0 H LEU A 56 11.682 -3.708 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 56 10.981 -2.400 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.086 -1.879 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.276 -3.431 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 56 8.035 -2.575 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.658 -0.143 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.361 -0.543 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.873 0.018 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.276 -1.625 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.440 -1.530 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.963 -3.115 -4.370 1.00 0.00 H new ATOM 501 N CYS A 57 9.683 -5.421 -2.255 1.00 0.00 N ATOM 502 CA CYS A 57 9.010 -6.458 -1.479 1.00 0.00 C ATOM 503 C CYS A 57 9.884 -6.945 -0.326 1.00 0.00 C ATOM 504 O CYS A 57 9.392 -7.176 0.779 1.00 0.00 O ATOM 505 CB CYS A 57 8.640 -7.636 -2.383 1.00 0.00 C ATOM 506 SG CYS A 57 10.051 -8.400 -3.215 1.00 0.00 S ATOM 0 H CYS A 57 10.000 -5.724 -3.176 1.00 0.00 H new ATOM 0 HA CYS A 57 8.103 -6.024 -1.058 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.131 -8.392 -1.786 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.930 -7.293 -3.136 1.00 0.00 H new ATOM 0 HG CYS A 57 10.643 -7.518 -3.964 1.00 0.00 H new ATOM 512 N GLN A 58 11.177 -7.103 -0.589 1.00 0.00 N ATOM 513 CA GLN A 58 12.115 -7.569 0.428 1.00 0.00 C ATOM 514 C GLN A 58 12.112 -6.648 1.645 1.00 0.00 C ATOM 515 O GLN A 58 12.048 -7.111 2.784 1.00 0.00 O ATOM 516 CB GLN A 58 13.526 -7.661 -0.154 1.00 0.00 C ATOM 517 CG GLN A 58 14.559 -8.179 0.836 1.00 0.00 C ATOM 518 CD GLN A 58 15.958 -8.232 0.251 1.00 0.00 C ATOM 519 OE1 GLN A 58 16.947 -8.060 0.964 1.00 0.00 O ATOM 520 NE2 GLN A 58 16.051 -8.474 -1.052 1.00 0.00 N ATOM 0 H GLN A 58 11.600 -6.915 -1.498 1.00 0.00 H new ATOM 0 HA GLN A 58 11.795 -8.560 0.750 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.509 -8.316 -1.025 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.832 -6.675 -0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.563 -7.539 1.718 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.270 -9.177 1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.206 -8.611 -1.607 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.967 -8.523 -1.497 1.00 0.00 H new ATOM 529 N ARG A 59 12.185 -5.344 1.397 1.00 0.00 N ATOM 530 CA ARG A 59 12.196 -4.361 2.475 1.00 0.00 C ATOM 531 C ARG A 59 10.897 -4.414 3.274 1.00 0.00 C ATOM 532 O ARG A 59 10.915 -4.569 4.495 1.00 0.00 O ATOM 533 CB ARG A 59 12.405 -2.955 1.907 1.00 0.00 C ATOM 534 CG ARG A 59 12.780 -1.922 2.960 1.00 0.00 C ATOM 535 CD ARG A 59 14.157 -2.200 3.546 1.00 0.00 C ATOM 536 NE ARG A 59 14.479 -1.293 4.645 1.00 0.00 N ATOM 537 CZ ARG A 59 15.721 -1.016 5.032 1.00 0.00 C ATOM 538 NH1 ARG A 59 16.754 -1.563 4.405 1.00 0.00 N ATOM 539 NH2 ARG A 59 15.931 -0.188 6.046 1.00 0.00 N ATOM 0 H ARG A 59 12.237 -4.944 0.460 1.00 0.00 H new ATOM 0 HA ARG A 59 13.021 -4.601 3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.188 -2.991 1.150 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.492 -2.635 1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.766 -0.927 2.516 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.036 -1.926 3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.198 -3.229 3.902 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.910 -2.103 2.764 1.00 0.00 H new ATOM 0 HE ARG A 59 13.709 -0.847 5.143 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.597 -2.199 3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.705 -1.348 4.705 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.140 0.237 6.530 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.884 0.024 6.342 1.00 0.00 H new ATOM 553 N LEU A 60 9.774 -4.280 2.574 1.00 0.00 N ATOM 554 CA LEU A 60 8.458 -4.317 3.207 1.00 0.00 C ATOM 555 C LEU A 60 8.288 -5.574 4.060 1.00 0.00 C ATOM 556 O LEU A 60 7.672 -5.533 5.125 1.00 0.00 O ATOM 557 CB LEU A 60 7.360 -4.260 2.142 1.00 0.00 C ATOM 558 CG LEU A 60 7.297 -2.956 1.342 1.00 0.00 C ATOM 559 CD1 LEU A 60 6.329 -3.092 0.177 1.00 0.00 C ATOM 560 CD2 LEU A 60 6.888 -1.799 2.242 1.00 0.00 C ATOM 0 H LEU A 60 9.749 -4.144 1.563 1.00 0.00 H new ATOM 0 HA LEU A 60 8.375 -3.448 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.506 -5.087 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.397 -4.417 2.627 1.00 0.00 H new ATOM 0 HG LEU A 60 8.290 -2.748 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.297 -2.156 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.662 -3.895 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.333 -3.323 0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.848 -0.880 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.906 -2.000 2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.617 -1.687 3.045 1.00 0.00 H new ATOM 572 N ARG A 61 8.840 -6.687 3.585 1.00 0.00 N ATOM 573 CA ARG A 61 8.744 -7.954 4.302 1.00 0.00 C ATOM 574 C ARG A 61 9.425 -7.871 5.664 1.00 0.00 C ATOM 575 O ARG A 61 8.845 -8.260 6.678 1.00 0.00 O ATOM 576 CB ARG A 61 9.367 -9.081 3.475 1.00 0.00 C ATOM 577 CG ARG A 61 9.221 -10.453 4.113 1.00 0.00 C ATOM 578 CD ARG A 61 9.788 -11.546 3.221 1.00 0.00 C ATOM 579 NE ARG A 61 11.199 -11.325 2.918 1.00 0.00 N ATOM 580 CZ ARG A 61 11.887 -12.051 2.041 1.00 0.00 C ATOM 581 NH1 ARG A 61 11.297 -13.044 1.390 1.00 0.00 N ATOM 582 NH2 ARG A 61 13.166 -11.782 1.816 1.00 0.00 N ATOM 0 H ARG A 61 9.358 -6.737 2.708 1.00 0.00 H new ATOM 0 HA ARG A 61 7.687 -8.168 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.903 -9.096 2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.426 -8.869 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.734 -10.464 5.075 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.168 -10.653 4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.669 -12.512 3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.219 -11.588 2.292 1.00 0.00 H new ATOM 0 HE ARG A 61 11.684 -10.572 3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.313 -13.253 1.561 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.827 -13.599 0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.622 -11.018 2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.694 -12.339 1.144 1.00 0.00 H new ATOM 596 N GLU A 62 10.658 -7.369 5.682 1.00 0.00 N ATOM 597 CA GLU A 62 11.409 -7.237 6.927 1.00 0.00 C ATOM 598 C GLU A 62 10.591 -6.483 7.967 1.00 0.00 C ATOM 599 O GLU A 62 10.414 -6.953 9.092 1.00 0.00 O ATOM 600 CB GLU A 62 12.735 -6.514 6.680 1.00 0.00 C ATOM 601 CG GLU A 62 13.662 -7.248 5.726 1.00 0.00 C ATOM 602 CD GLU A 62 14.968 -6.514 5.503 1.00 0.00 C ATOM 603 OE1 GLU A 62 15.027 -5.672 4.581 1.00 0.00 O ATOM 604 OE2 GLU A 62 15.933 -6.779 6.249 1.00 0.00 O ATOM 0 H GLU A 62 11.156 -7.048 4.852 1.00 0.00 H new ATOM 0 HA GLU A 62 11.620 -8.237 7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.528 -5.521 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.245 -6.374 7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.871 -8.242 6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.158 -7.385 4.769 1.00 0.00 H new ATOM 611 N ASN A 63 10.096 -5.313 7.584 1.00 0.00 N ATOM 612 CA ASN A 63 9.283 -4.500 8.478 1.00 0.00 C ATOM 613 C ASN A 63 7.802 -4.742 8.213 1.00 0.00 C ATOM 614 O ASN A 63 7.197 -4.080 7.374 1.00 0.00 O ATOM 615 CB ASN A 63 9.617 -3.017 8.308 1.00 0.00 C ATOM 616 CG ASN A 63 11.034 -2.691 8.742 1.00 0.00 C ATOM 617 OD1 ASN A 63 11.590 -3.343 9.626 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.625 -1.676 8.122 1.00 0.00 N ATOM 0 H ASN A 63 10.243 -4.906 6.660 1.00 0.00 H new ATOM 0 HA ASN A 63 9.506 -4.789 9.505 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.486 -2.735 7.263 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.915 -2.420 8.890 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.577 -1.410 8.373 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.127 -1.163 7.395 1.00 0.00 H new ATOM 625 N ASP A 64 7.236 -5.713 8.924 1.00 0.00 N ATOM 626 CA ASP A 64 5.824 -6.063 8.779 1.00 0.00 C ATOM 627 C ASP A 64 4.935 -4.821 8.735 1.00 0.00 C ATOM 628 O ASP A 64 4.783 -4.118 9.735 1.00 0.00 O ATOM 629 CB ASP A 64 5.389 -6.971 9.931 1.00 0.00 C ATOM 630 CG ASP A 64 6.242 -8.220 10.036 1.00 0.00 C ATOM 631 OD1 ASP A 64 7.362 -8.130 10.581 1.00 0.00 O ATOM 632 OD2 ASP A 64 5.792 -9.289 9.571 1.00 0.00 O ATOM 0 H ASP A 64 7.737 -6.276 9.612 1.00 0.00 H new ATOM 0 HA ASP A 64 5.709 -6.591 7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.444 -6.417 10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.347 -7.257 9.791 1.00 0.00 H new ATOM 637 N ILE A 65 4.352 -4.558 7.567 1.00 0.00 N ATOM 638 CA ILE A 65 3.471 -3.408 7.390 1.00 0.00 C ATOM 639 C ILE A 65 2.014 -3.850 7.284 1.00 0.00 C ATOM 640 O ILE A 65 1.707 -4.870 6.668 1.00 0.00 O ATOM 641 CB ILE A 65 3.836 -2.593 6.128 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.246 -2.006 6.248 1.00 0.00 C ATOM 643 CG2 ILE A 65 2.819 -1.486 5.889 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.430 -1.091 7.440 1.00 0.00 C ATOM 0 H ILE A 65 4.475 -5.127 6.729 1.00 0.00 H new ATOM 0 HA ILE A 65 3.603 -2.776 8.268 1.00 0.00 H new ATOM 0 HB ILE A 65 3.817 -3.269 5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.965 -2.823 6.315 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.477 -1.452 5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.095 -0.925 4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.830 -1.924 5.751 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.802 -0.815 6.748 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.453 -0.716 7.456 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.737 -0.253 7.366 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.232 -1.645 8.358 1.00 0.00 H new ATOM 656 N VAL A 66 1.123 -3.070 7.888 1.00 0.00 N ATOM 657 CA VAL A 66 -0.301 -3.370 7.860 1.00 0.00 C ATOM 658 C VAL A 66 -1.094 -2.156 7.383 1.00 0.00 C ATOM 659 O VAL A 66 -0.594 -1.032 7.407 1.00 0.00 O ATOM 660 CB VAL A 66 -0.808 -3.804 9.251 1.00 0.00 C ATOM 661 CG1 VAL A 66 -0.656 -2.670 10.252 1.00 0.00 C ATOM 662 CG2 VAL A 66 -2.252 -4.278 9.183 1.00 0.00 C ATOM 0 H VAL A 66 1.365 -2.224 8.404 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.450 -4.195 7.163 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.198 -4.642 9.588 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.019 -2.995 11.227 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.395 -2.392 10.330 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.235 -1.809 9.918 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.584 -4.578 10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.884 -3.468 8.818 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.324 -5.128 8.505 1.00 0.00 H new ATOM 672 N GLY A 67 -2.325 -2.391 6.947 1.00 0.00 N ATOM 673 CA GLY A 67 -3.165 -1.307 6.470 1.00 0.00 C ATOM 674 C GLY A 67 -3.382 -0.233 7.519 1.00 0.00 C ATOM 675 O GLY A 67 -3.510 0.945 7.191 1.00 0.00 O ATOM 0 H GLY A 67 -2.758 -3.314 6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.709 -0.860 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.130 -1.709 6.161 1.00 0.00 H new ATOM 679 N ASP A 68 -3.429 -0.644 8.782 1.00 0.00 N ATOM 680 CA ASP A 68 -3.634 0.289 9.886 1.00 0.00 C ATOM 681 C ASP A 68 -2.349 1.050 10.209 1.00 0.00 C ATOM 682 O ASP A 68 -2.363 2.015 10.972 1.00 0.00 O ATOM 683 CB ASP A 68 -4.122 -0.461 11.127 1.00 0.00 C ATOM 684 CG ASP A 68 -4.471 0.470 12.270 1.00 0.00 C ATOM 685 OD1 ASP A 68 -5.631 0.929 12.330 1.00 0.00 O ATOM 686 OD2 ASP A 68 -3.583 0.743 13.106 1.00 0.00 O ATOM 0 H ASP A 68 -3.328 -1.618 9.067 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.392 1.011 9.581 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.998 -1.055 10.867 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.350 -1.157 11.453 1.00 0.00 H new ATOM 691 N LEU A 69 -1.241 0.608 9.621 1.00 0.00 N ATOM 692 CA LEU A 69 0.055 1.241 9.849 1.00 0.00 C ATOM 693 C LEU A 69 0.422 2.168 8.692 1.00 0.00 C ATOM 694 O LEU A 69 1.361 2.959 8.789 1.00 0.00 O ATOM 695 CB LEU A 69 1.134 0.169 10.023 1.00 0.00 C ATOM 696 CG LEU A 69 2.533 0.687 10.354 1.00 0.00 C ATOM 697 CD1 LEU A 69 2.546 1.368 11.715 1.00 0.00 C ATOM 698 CD2 LEU A 69 3.543 -0.450 10.316 1.00 0.00 C ATOM 0 H LEU A 69 -1.214 -0.187 8.982 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.010 1.839 10.758 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.821 -0.511 10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.191 -0.416 9.105 1.00 0.00 H new ATOM 0 HG LEU A 69 2.813 1.424 9.601 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.551 1.729 11.931 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.852 2.208 11.708 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.244 0.655 12.482 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.534 -0.064 10.554 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.264 -1.209 11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.555 -0.893 9.320 1.00 0.00 H new ATOM 710 N LEU A 70 -0.330 2.069 7.600 1.00 0.00 N ATOM 711 CA LEU A 70 -0.081 2.891 6.419 1.00 0.00 C ATOM 712 C LEU A 70 -0.362 4.375 6.683 1.00 0.00 C ATOM 713 O LEU A 70 0.478 5.223 6.385 1.00 0.00 O ATOM 714 CB LEU A 70 -0.920 2.397 5.236 1.00 0.00 C ATOM 715 CG LEU A 70 -0.625 0.967 4.779 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.596 0.546 3.687 1.00 0.00 C ATOM 717 CD2 LEU A 70 0.811 0.848 4.290 1.00 0.00 C ATOM 0 H LEU A 70 -1.118 1.427 7.508 1.00 0.00 H new ATOM 0 HA LEU A 70 0.977 2.794 6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.974 2.465 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.762 3.070 4.393 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.754 0.300 5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.372 -0.474 3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.616 0.592 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.498 1.217 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.002 -0.176 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.967 1.526 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.494 1.108 5.099 1.00 0.00 H new ATOM 729 N PRO A 71 -1.544 4.719 7.243 1.00 0.00 N ATOM 730 CA PRO A 71 -1.899 6.115 7.518 1.00 0.00 C ATOM 731 C PRO A 71 -1.223 6.659 8.773 1.00 0.00 C ATOM 732 O PRO A 71 -1.246 7.863 9.029 1.00 0.00 O ATOM 733 CB PRO A 71 -3.412 6.052 7.713 1.00 0.00 C ATOM 734 CG PRO A 71 -3.658 4.694 8.270 1.00 0.00 C ATOM 735 CD PRO A 71 -2.621 3.792 7.653 1.00 0.00 C ATOM 0 HA PRO A 71 -1.578 6.783 6.718 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.757 6.829 8.395 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.940 6.197 6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.573 4.698 9.357 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.664 4.351 8.030 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.260 3.051 8.366 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.023 3.245 6.801 1.00 0.00 H new ATOM 743 N GLU A 72 -0.619 5.765 9.552 1.00 0.00 N ATOM 744 CA GLU A 72 0.060 6.159 10.782 1.00 0.00 C ATOM 745 C GLU A 72 1.460 6.693 10.494 1.00 0.00 C ATOM 746 O GLU A 72 2.205 7.028 11.416 1.00 0.00 O ATOM 747 CB GLU A 72 0.143 4.974 11.746 1.00 0.00 C ATOM 748 CG GLU A 72 -1.211 4.508 12.253 1.00 0.00 C ATOM 749 CD GLU A 72 -1.959 5.593 13.005 1.00 0.00 C ATOM 750 OE1 GLU A 72 -2.687 6.371 12.354 1.00 0.00 O ATOM 751 OE2 GLU A 72 -1.815 5.663 14.243 1.00 0.00 O ATOM 0 H GLU A 72 -0.586 4.765 9.353 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.522 6.957 11.243 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.640 4.143 11.245 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.765 5.251 12.597 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.815 4.174 11.409 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.073 3.647 12.907 1.00 0.00 H new ATOM 758 N LEU A 73 1.813 6.772 9.215 1.00 0.00 N ATOM 759 CA LEU A 73 3.125 7.270 8.816 1.00 0.00 C ATOM 760 C LEU A 73 3.031 8.120 7.552 1.00 0.00 C ATOM 761 O LEU A 73 2.082 7.999 6.778 1.00 0.00 O ATOM 762 CB LEU A 73 4.097 6.104 8.603 1.00 0.00 C ATOM 763 CG LEU A 73 3.568 4.949 7.749 1.00 0.00 C ATOM 764 CD1 LEU A 73 3.656 5.285 6.269 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.336 3.673 8.054 1.00 0.00 C ATOM 0 H LEU A 73 1.211 6.498 8.439 1.00 0.00 H new ATOM 0 HA LEU A 73 3.504 7.901 9.620 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.004 6.491 8.138 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.383 5.710 9.578 1.00 0.00 H new ATOM 0 HG LEU A 73 2.518 4.792 7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.274 4.449 5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.061 6.175 6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.695 5.472 6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.949 2.860 7.440 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.393 3.823 7.834 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.217 3.420 9.108 1.00 0.00 H new ATOM 777 N CYS A 74 4.024 8.984 7.355 1.00 0.00 N ATOM 778 CA CYS A 74 4.061 9.857 6.187 1.00 0.00 C ATOM 779 C CYS A 74 4.938 9.258 5.093 1.00 0.00 C ATOM 780 O CYS A 74 5.319 8.089 5.162 1.00 0.00 O ATOM 781 CB CYS A 74 4.586 11.240 6.578 1.00 0.00 C ATOM 782 SG CYS A 74 3.606 12.070 7.850 1.00 0.00 S ATOM 0 H CYS A 74 4.814 9.097 7.990 1.00 0.00 H new ATOM 0 HA CYS A 74 3.046 9.956 5.802 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.612 11.140 6.933 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.616 11.870 5.689 1.00 0.00 H new ATOM 0 HG CYS A 74 4.130 13.230 8.114 1.00 0.00 H new ATOM 788 N LEU A 75 5.255 10.064 4.084 1.00 0.00 N ATOM 789 CA LEU A 75 6.091 9.609 2.977 1.00 0.00 C ATOM 790 C LEU A 75 7.515 9.333 3.448 1.00 0.00 C ATOM 791 O LEU A 75 8.337 8.809 2.697 1.00 0.00 O ATOM 792 CB LEU A 75 6.103 10.642 1.847 1.00 0.00 C ATOM 793 CG LEU A 75 4.772 10.821 1.113 1.00 0.00 C ATOM 794 CD1 LEU A 75 3.821 11.686 1.928 1.00 0.00 C ATOM 795 CD2 LEU A 75 5.000 11.427 -0.263 1.00 0.00 C ATOM 0 H LEU A 75 4.947 11.033 4.010 1.00 0.00 H new ATOM 0 HA LEU A 75 5.665 8.680 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.404 11.605 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.864 10.354 1.121 1.00 0.00 H new ATOM 0 HG LEU A 75 4.316 9.839 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.881 11.801 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.631 11.211 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.269 12.667 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.043 11.547 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.479 12.400 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.641 10.769 -0.849 1.00 0.00 H new ATOM 807 N GLN A 76 7.801 9.699 4.694 1.00 0.00 N ATOM 808 CA GLN A 76 9.124 9.488 5.270 1.00 0.00 C ATOM 809 C GLN A 76 9.459 7.999 5.332 1.00 0.00 C ATOM 810 O GLN A 76 10.398 7.535 4.683 1.00 0.00 O ATOM 811 CB GLN A 76 9.191 10.097 6.673 1.00 0.00 C ATOM 812 CG GLN A 76 10.546 9.937 7.347 1.00 0.00 C ATOM 813 CD GLN A 76 11.659 10.641 6.597 1.00 0.00 C ATOM 814 OE1 GLN A 76 11.437 11.663 5.948 1.00 0.00 O ATOM 815 NE2 GLN A 76 12.867 10.095 6.683 1.00 0.00 N ATOM 0 H GLN A 76 7.133 10.143 5.324 1.00 0.00 H new ATOM 0 HA GLN A 76 9.857 9.980 4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.950 11.158 6.610 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.428 9.633 7.297 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.491 10.331 8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.783 8.876 7.429 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.005 9.247 7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.656 10.524 6.200 1.00 0.00 H new ATOM 824 N ASP A 77 8.681 7.256 6.115 1.00 0.00 N ATOM 825 CA ASP A 77 8.891 5.820 6.264 1.00 0.00 C ATOM 826 C ASP A 77 8.681 5.098 4.938 1.00 0.00 C ATOM 827 O ASP A 77 9.222 4.015 4.716 1.00 0.00 O ATOM 828 CB ASP A 77 7.944 5.253 7.324 1.00 0.00 C ATOM 829 CG ASP A 77 8.156 5.884 8.686 1.00 0.00 C ATOM 830 OD1 ASP A 77 7.511 6.916 8.969 1.00 0.00 O ATOM 831 OD2 ASP A 77 8.966 5.347 9.470 1.00 0.00 O ATOM 0 H ASP A 77 7.899 7.626 6.656 1.00 0.00 H new ATOM 0 HA ASP A 77 9.921 5.660 6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.913 5.413 7.009 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.091 4.176 7.399 1.00 0.00 H new ATOM 836 N CYS A 78 7.889 5.705 4.060 1.00 0.00 N ATOM 837 CA CYS A 78 7.608 5.125 2.753 1.00 0.00 C ATOM 838 C CYS A 78 8.856 5.134 1.879 1.00 0.00 C ATOM 839 O CYS A 78 9.215 4.119 1.281 1.00 0.00 O ATOM 840 CB CYS A 78 6.483 5.897 2.061 1.00 0.00 C ATOM 841 SG CYS A 78 4.941 5.962 3.003 1.00 0.00 S ATOM 0 H CYS A 78 7.430 6.600 4.231 1.00 0.00 H new ATOM 0 HA CYS A 78 7.293 4.092 2.900 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.821 6.915 1.868 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.285 5.438 1.092 1.00 0.00 H new ATOM 0 HG CYS A 78 5.051 6.839 3.956 1.00 0.00 H new ATOM 847 N GLN A 79 9.516 6.287 1.810 1.00 0.00 N ATOM 848 CA GLN A 79 10.728 6.425 1.011 1.00 0.00 C ATOM 849 C GLN A 79 11.818 5.500 1.537 1.00 0.00 C ATOM 850 O GLN A 79 12.624 4.973 0.770 1.00 0.00 O ATOM 851 CB GLN A 79 11.212 7.877 1.023 1.00 0.00 C ATOM 852 CG GLN A 79 12.346 8.150 0.048 1.00 0.00 C ATOM 853 CD GLN A 79 12.705 9.621 -0.035 1.00 0.00 C ATOM 854 OE1 GLN A 79 12.570 10.360 0.939 1.00 0.00 O ATOM 855 NE2 GLN A 79 13.162 10.053 -1.205 1.00 0.00 N ATOM 0 H GLN A 79 9.232 7.137 2.297 1.00 0.00 H new ATOM 0 HA GLN A 79 10.499 6.144 -0.017 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.374 8.532 0.785 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.541 8.133 2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.225 7.582 0.352 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.062 7.793 -0.942 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.258 9.404 -1.986 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.417 11.034 -1.322 1.00 0.00 H new ATOM 864 N ASP A 80 11.835 5.305 2.852 1.00 0.00 N ATOM 865 CA ASP A 80 12.816 4.430 3.483 1.00 0.00 C ATOM 866 C ASP A 80 12.541 2.978 3.111 1.00 0.00 C ATOM 867 O ASP A 80 13.463 2.180 2.941 1.00 0.00 O ATOM 868 CB ASP A 80 12.776 4.593 5.003 1.00 0.00 C ATOM 869 CG ASP A 80 13.789 3.709 5.705 1.00 0.00 C ATOM 870 OD1 ASP A 80 14.960 4.127 5.825 1.00 0.00 O ATOM 871 OD2 ASP A 80 13.410 2.600 6.136 1.00 0.00 O ATOM 0 H ASP A 80 11.180 5.741 3.501 1.00 0.00 H new ATOM 0 HA ASP A 80 13.808 4.708 3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.967 5.635 5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.776 4.354 5.365 1.00 0.00 H new ATOM 876 N LEU A 81 11.260 2.651 2.986 1.00 0.00 N ATOM 877 CA LEU A 81 10.837 1.302 2.630 1.00 0.00 C ATOM 878 C LEU A 81 11.169 0.998 1.173 1.00 0.00 C ATOM 879 O LEU A 81 11.117 -0.154 0.740 1.00 0.00 O ATOM 880 CB LEU A 81 9.333 1.146 2.882 1.00 0.00 C ATOM 881 CG LEU A 81 8.946 0.396 4.164 1.00 0.00 C ATOM 882 CD1 LEU A 81 9.884 0.744 5.313 1.00 0.00 C ATOM 883 CD2 LEU A 81 7.510 0.718 4.546 1.00 0.00 C ATOM 0 H LEU A 81 10.492 3.307 3.127 1.00 0.00 H new ATOM 0 HA LEU A 81 11.377 0.590 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.884 2.139 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.893 0.625 2.032 1.00 0.00 H new ATOM 0 HG LEU A 81 9.034 -0.673 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.583 0.197 6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.904 0.470 5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.836 1.815 5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.247 0.180 5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.410 1.790 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.842 0.415 3.740 1.00 0.00 H new ATOM 895 N CYS A 82 11.508 2.041 0.422 1.00 0.00 N ATOM 896 CA CYS A 82 11.856 1.890 -0.986 1.00 0.00 C ATOM 897 C CYS A 82 13.366 1.979 -1.181 1.00 0.00 C ATOM 898 O CYS A 82 14.120 2.080 -0.212 1.00 0.00 O ATOM 899 CB CYS A 82 11.154 2.964 -1.822 1.00 0.00 C ATOM 900 SG CYS A 82 9.349 2.913 -1.721 1.00 0.00 S ATOM 0 H CYS A 82 11.549 3.001 0.766 1.00 0.00 H new ATOM 0 HA CYS A 82 11.522 0.907 -1.318 1.00 0.00 H new ATOM 0 HB2 CYS A 82 11.498 3.946 -1.496 1.00 0.00 H new ATOM 0 HB3 CYS A 82 11.453 2.851 -2.864 1.00 0.00 H new ATOM 0 HG CYS A 82 8.966 3.359 -0.562 1.00 0.00 H new ATOM 906 N ASP A 83 13.804 1.937 -2.436 1.00 0.00 N ATOM 907 CA ASP A 83 15.227 2.013 -2.753 1.00 0.00 C ATOM 908 C ASP A 83 15.793 3.383 -2.393 1.00 0.00 C ATOM 909 O ASP A 83 17.007 3.557 -2.295 1.00 0.00 O ATOM 910 CB ASP A 83 15.458 1.727 -4.237 1.00 0.00 C ATOM 911 CG ASP A 83 15.016 0.332 -4.635 1.00 0.00 C ATOM 912 OD1 ASP A 83 13.838 0.167 -5.013 1.00 0.00 O ATOM 913 OD2 ASP A 83 15.851 -0.595 -4.569 1.00 0.00 O ATOM 0 H ASP A 83 13.195 1.851 -3.250 1.00 0.00 H new ATOM 0 HA ASP A 83 15.745 1.259 -2.161 1.00 0.00 H new ATOM 0 HB2 ASP A 83 14.916 2.461 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.517 1.849 -4.467 1.00 0.00 H new ATOM 918 N GLY A 84 14.902 4.352 -2.199 1.00 0.00 N ATOM 919 CA GLY A 84 15.328 5.696 -1.855 1.00 0.00 C ATOM 920 C GLY A 84 14.792 6.734 -2.819 1.00 0.00 C ATOM 921 O GLY A 84 15.077 7.925 -2.683 1.00 0.00 O ATOM 0 H GLY A 84 13.892 4.229 -2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.993 5.934 -0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.417 5.739 -1.847 1.00 0.00 H new ATOM 925 N ASP A 85 14.012 6.283 -3.797 1.00 0.00 N ATOM 926 CA ASP A 85 13.433 7.177 -4.793 1.00 0.00 C ATOM 927 C ASP A 85 12.170 7.843 -4.256 1.00 0.00 C ATOM 928 O ASP A 85 11.289 7.177 -3.710 1.00 0.00 O ATOM 929 CB ASP A 85 13.115 6.405 -6.075 1.00 0.00 C ATOM 930 CG ASP A 85 12.569 7.299 -7.170 1.00 0.00 C ATOM 931 OD1 ASP A 85 13.379 7.888 -7.917 1.00 0.00 O ATOM 932 OD2 ASP A 85 11.330 7.412 -7.280 1.00 0.00 O ATOM 0 H ASP A 85 13.766 5.301 -3.921 1.00 0.00 H new ATOM 0 HA ASP A 85 14.163 7.955 -5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.019 5.910 -6.431 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.389 5.622 -5.854 1.00 0.00 H new ATOM 937 N LEU A 86 12.088 9.159 -4.416 1.00 0.00 N ATOM 938 CA LEU A 86 10.935 9.919 -3.945 1.00 0.00 C ATOM 939 C LEU A 86 9.669 9.523 -4.700 1.00 0.00 C ATOM 940 O LEU A 86 8.651 9.198 -4.089 1.00 0.00 O ATOM 941 CB LEU A 86 11.188 11.420 -4.107 1.00 0.00 C ATOM 942 CG LEU A 86 10.075 12.328 -3.580 1.00 0.00 C ATOM 943 CD1 LEU A 86 9.976 12.229 -2.065 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.317 13.768 -4.007 1.00 0.00 C ATOM 0 H LEU A 86 12.807 9.723 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 86 10.791 9.690 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.116 11.673 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.340 11.635 -5.165 1.00 0.00 H new ATOM 0 HG LEU A 86 9.129 11.996 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.179 12.882 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.756 11.200 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.922 12.534 -1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.516 14.401 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.272 14.110 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.336 13.826 -5.095 1.00 0.00 H new ATOM 956 N ASN A 87 9.741 9.550 -6.029 1.00 0.00 N ATOM 957 CA ASN A 87 8.599 9.198 -6.868 1.00 0.00 C ATOM 958 C ASN A 87 8.028 7.840 -6.475 1.00 0.00 C ATOM 959 O ASN A 87 6.838 7.580 -6.657 1.00 0.00 O ATOM 960 CB ASN A 87 9.003 9.190 -8.344 1.00 0.00 C ATOM 961 CG ASN A 87 9.510 10.541 -8.808 1.00 0.00 C ATOM 962 OD1 ASN A 87 9.095 11.582 -8.300 1.00 0.00 O ATOM 963 ND2 ASN A 87 10.414 10.531 -9.780 1.00 0.00 N ATOM 0 H ASN A 87 10.579 9.812 -6.548 1.00 0.00 H new ATOM 0 HA ASN A 87 7.826 9.951 -6.716 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.777 8.440 -8.503 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.147 8.897 -8.951 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.792 11.410 -10.134 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.731 9.645 -10.173 1.00 0.00 H new ATOM 970 N LYS A 88 8.882 6.981 -5.930 1.00 0.00 N ATOM 971 CA LYS A 88 8.466 5.657 -5.503 1.00 0.00 C ATOM 972 C LYS A 88 7.501 5.759 -4.328 1.00 0.00 C ATOM 973 O LYS A 88 6.403 5.198 -4.356 1.00 0.00 O ATOM 974 CB LYS A 88 9.693 4.843 -5.103 1.00 0.00 C ATOM 975 CG LYS A 88 9.926 3.611 -5.963 1.00 0.00 C ATOM 976 CD LYS A 88 8.852 2.560 -5.740 1.00 0.00 C ATOM 977 CE LYS A 88 9.114 1.313 -6.568 1.00 0.00 C ATOM 978 NZ LYS A 88 9.194 1.620 -8.022 1.00 0.00 N ATOM 0 H LYS A 88 9.870 7.182 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 88 7.955 5.160 -6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.574 5.483 -5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.587 4.533 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.941 3.898 -7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.904 3.187 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.814 2.295 -4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.877 2.973 -6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.046 0.850 -6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.320 0.587 -6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.885 0.791 -8.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.577 2.429 -8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.175 1.855 -8.274 1.00 0.00 H new ATOM 992 N ALA A 89 7.920 6.486 -3.297 1.00 0.00 N ATOM 993 CA ALA A 89 7.102 6.671 -2.108 1.00 0.00 C ATOM 994 C ALA A 89 5.816 7.423 -2.435 1.00 0.00 C ATOM 995 O ALA A 89 4.802 7.255 -1.760 1.00 0.00 O ATOM 996 CB ALA A 89 7.889 7.406 -1.034 1.00 0.00 C ATOM 0 H ALA A 89 8.824 6.957 -3.263 1.00 0.00 H new ATOM 0 HA ALA A 89 6.828 5.686 -1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.264 7.537 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.773 6.826 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.194 8.382 -1.411 1.00 0.00 H new ATOM 1002 N ILE A 90 5.865 8.255 -3.474 1.00 0.00 N ATOM 1003 CA ILE A 90 4.695 9.022 -3.887 1.00 0.00 C ATOM 1004 C ILE A 90 3.572 8.090 -4.331 1.00 0.00 C ATOM 1005 O ILE A 90 2.464 8.145 -3.797 1.00 0.00 O ATOM 1006 CB ILE A 90 5.029 10.005 -5.028 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.064 11.030 -4.555 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.765 10.704 -5.515 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.512 11.989 -5.639 1.00 0.00 C ATOM 0 H ILE A 90 6.698 8.414 -4.041 1.00 0.00 H new ATOM 0 HA ILE A 90 4.368 9.600 -3.022 1.00 0.00 H new ATOM 0 HB ILE A 90 5.452 9.444 -5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.644 11.602 -3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.935 10.501 -4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.018 11.394 -6.320 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.057 9.961 -5.883 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.315 11.257 -4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.245 12.685 -5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.963 11.428 -6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.652 12.545 -6.011 1.00 0.00 H new ATOM 1021 N LYS A 91 3.862 7.235 -5.311 1.00 0.00 N ATOM 1022 CA LYS A 91 2.874 6.283 -5.807 1.00 0.00 C ATOM 1023 C LYS A 91 2.350 5.421 -4.665 1.00 0.00 C ATOM 1024 O LYS A 91 1.187 5.021 -4.655 1.00 0.00 O ATOM 1025 CB LYS A 91 3.479 5.392 -6.896 1.00 0.00 C ATOM 1026 CG LYS A 91 3.429 6.000 -8.290 1.00 0.00 C ATOM 1027 CD LYS A 91 4.271 7.261 -8.386 1.00 0.00 C ATOM 1028 CE LYS A 91 4.266 7.829 -9.797 1.00 0.00 C ATOM 1029 NZ LYS A 91 2.886 8.109 -10.281 1.00 0.00 N ATOM 0 H LYS A 91 4.769 7.183 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 91 2.046 6.846 -6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.517 5.178 -6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.950 4.439 -6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.783 5.270 -9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.396 6.232 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.889 8.008 -7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.295 7.040 -8.085 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.852 8.748 -9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.751 7.125 -10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.932 8.676 -11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.398 7.212 -10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.362 8.635 -9.552 1.00 0.00 H new ATOM 1043 N PHE A 92 3.226 5.140 -3.706 1.00 0.00 N ATOM 1044 CA PHE A 92 2.867 4.334 -2.547 1.00 0.00 C ATOM 1045 C PHE A 92 1.764 5.014 -1.740 1.00 0.00 C ATOM 1046 O PHE A 92 0.668 4.474 -1.586 1.00 0.00 O ATOM 1047 CB PHE A 92 4.105 4.104 -1.676 1.00 0.00 C ATOM 1048 CG PHE A 92 3.910 3.101 -0.572 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.423 1.832 -0.843 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.223 3.429 0.738 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.251 0.909 0.172 1.00 0.00 C ATOM 1052 CE2 PHE A 92 4.054 2.511 1.757 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.567 1.249 1.474 1.00 0.00 C ATOM 0 H PHE A 92 4.194 5.461 -3.710 1.00 0.00 H new ATOM 0 HA PHE A 92 2.490 3.371 -2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.925 3.771 -2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.407 5.055 -1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.175 1.561 -1.859 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.604 4.414 0.965 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.870 -0.076 -0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.302 2.779 2.773 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.434 0.530 2.269 1.00 0.00 H new ATOM 1063 N LYS A 93 2.060 6.211 -1.243 1.00 0.00 N ATOM 1064 CA LYS A 93 1.103 6.976 -0.450 1.00 0.00 C ATOM 1065 C LYS A 93 -0.191 7.218 -1.227 1.00 0.00 C ATOM 1066 O LYS A 93 -1.257 7.392 -0.635 1.00 0.00 O ATOM 1067 CB LYS A 93 1.722 8.313 -0.031 1.00 0.00 C ATOM 1068 CG LYS A 93 0.785 9.207 0.767 1.00 0.00 C ATOM 1069 CD LYS A 93 0.405 8.576 2.098 1.00 0.00 C ATOM 1070 CE LYS A 93 -0.504 9.489 2.906 1.00 0.00 C ATOM 1071 NZ LYS A 93 -1.750 9.828 2.164 1.00 0.00 N ATOM 0 H LYS A 93 2.959 6.674 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 93 0.859 6.396 0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.615 8.118 0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.044 8.848 -0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.264 10.170 0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.116 9.401 0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.097 7.625 1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.307 8.359 2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.762 9.004 3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.031 10.405 3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.441 10.246 2.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.531 10.510 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.149 8.965 1.744 1.00 0.00 H new ATOM 1085 N ILE A 94 -0.093 7.221 -2.553 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.254 7.447 -3.408 1.00 0.00 C ATOM 1087 C ILE A 94 -2.274 6.317 -3.286 1.00 0.00 C ATOM 1088 O ILE A 94 -3.372 6.514 -2.760 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.842 7.598 -4.887 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.238 8.984 -5.127 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -2.038 7.365 -5.800 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.335 9.168 -6.517 1.00 0.00 C ATOM 0 H ILE A 94 0.779 7.069 -3.059 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.713 8.375 -3.067 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.087 6.847 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.006 9.739 -4.958 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.549 9.159 -4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.729 7.475 -6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.426 6.359 -5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.816 8.094 -5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.744 10.174 -6.612 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.126 8.437 -6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.453 9.026 -7.257 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.912 5.138 -3.789 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.803 3.986 -3.741 1.00 0.00 C ATOM 1106 C LEU A 95 -3.298 3.752 -2.322 1.00 0.00 C ATOM 1107 O LEU A 95 -4.372 3.189 -2.111 1.00 0.00 O ATOM 1108 CB LEU A 95 -2.094 2.733 -4.264 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.704 2.776 -5.744 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -1.021 1.480 -6.151 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -2.928 3.025 -6.615 1.00 0.00 C ATOM 0 H LEU A 95 -1.011 4.958 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.661 4.194 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.193 2.570 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.743 1.873 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.004 3.599 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.750 1.527 -7.206 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.122 1.339 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.701 0.644 -5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.629 3.052 -7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.651 2.223 -6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.381 3.978 -6.342 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.509 4.196 -1.350 1.00 0.00 N ATOM 1124 CA ILE A 96 -2.873 4.044 0.048 1.00 0.00 C ATOM 1125 C ILE A 96 -3.939 5.061 0.443 1.00 0.00 C ATOM 1126 O ILE A 96 -4.820 4.769 1.251 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.648 4.195 0.971 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.639 3.080 0.688 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.070 4.176 2.433 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.741 3.362 1.237 1.00 0.00 C ATOM 0 H ILE A 96 -1.616 4.663 -1.507 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.274 3.038 0.169 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.175 5.156 0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.009 2.149 1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.569 2.929 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.190 4.284 3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.758 5.000 2.624 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.565 3.231 2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.404 2.530 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.131 4.276 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.684 3.484 2.319 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.850 6.256 -0.131 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.812 7.312 0.154 1.00 0.00 C ATOM 1144 C ASN A 97 -6.222 6.858 -0.205 1.00 0.00 C ATOM 1145 O ASN A 97 -7.148 6.980 0.599 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.456 8.580 -0.625 1.00 0.00 C ATOM 1147 CG ASN A 97 -5.453 9.699 -0.396 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -6.046 9.810 0.679 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -5.646 10.537 -1.409 1.00 0.00 N ATOM 0 H ASN A 97 -3.122 6.517 -0.796 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.776 7.532 1.221 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.462 8.917 -0.330 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.412 8.349 -1.689 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.306 11.309 -1.314 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.134 10.409 -2.282 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.379 6.327 -1.415 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.679 5.849 -1.873 1.00 0.00 C ATOM 1158 C LYS A 98 -8.117 4.617 -1.088 1.00 0.00 C ATOM 1159 O LYS A 98 -9.302 4.435 -0.813 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.643 5.531 -3.369 1.00 0.00 C ATOM 1161 CG LYS A 98 -7.798 6.756 -4.258 1.00 0.00 C ATOM 1162 CD LYS A 98 -6.517 7.571 -4.321 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.441 6.857 -5.122 1.00 0.00 C ATOM 1164 NZ LYS A 98 -5.867 6.610 -6.527 1.00 0.00 N ATOM 0 H LYS A 98 -5.625 6.217 -2.093 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.404 6.644 -1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.699 5.039 -3.604 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.438 4.822 -3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.080 6.443 -5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.608 7.380 -3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.724 8.542 -4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.155 7.760 -3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.529 7.455 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.202 5.908 -4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.029 6.443 -7.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.486 5.775 -6.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.384 7.439 -6.884 1.00 0.00 H new ATOM 1178 N MET A 99 -7.153 3.773 -0.729 1.00 0.00 N ATOM 1179 CA MET A 99 -7.446 2.561 0.031 1.00 0.00 C ATOM 1180 C MET A 99 -7.828 2.903 1.468 1.00 0.00 C ATOM 1181 O MET A 99 -8.518 2.134 2.137 1.00 0.00 O ATOM 1182 CB MET A 99 -6.239 1.618 0.015 1.00 0.00 C ATOM 1183 CG MET A 99 -6.421 0.377 0.877 1.00 0.00 C ATOM 1184 SD MET A 99 -7.932 -0.529 0.488 1.00 0.00 S ATOM 1185 CE MET A 99 -7.546 -1.160 -1.144 1.00 0.00 C ATOM 0 H MET A 99 -6.166 3.905 -0.951 1.00 0.00 H new ATOM 0 HA MET A 99 -8.291 2.059 -0.440 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.043 1.311 -1.012 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.359 2.162 0.358 1.00 0.00 H new ATOM 0 HG2 MET A 99 -5.563 -0.282 0.743 1.00 0.00 H new ATOM 0 HG3 MET A 99 -6.438 0.669 1.927 1.00 0.00 H new ATOM 0 HE1 MET A 99 -8.119 -0.611 -1.891 1.00 0.00 H new ATOM 0 HE2 MET A 99 -6.481 -1.036 -1.340 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.803 -2.218 -1.195 1.00 0.00 H new ATOM 1195 N ARG A 100 -7.381 4.066 1.935 1.00 0.00 N ATOM 1196 CA ARG A 100 -7.681 4.511 3.290 1.00 0.00 C ATOM 1197 C ARG A 100 -9.143 4.930 3.403 1.00 0.00 C ATOM 1198 O ARG A 100 -9.872 4.453 4.273 1.00 0.00 O ATOM 1199 CB ARG A 100 -6.775 5.680 3.684 1.00 0.00 C ATOM 1200 CG ARG A 100 -6.960 6.134 5.123 1.00 0.00 C ATOM 1201 CD ARG A 100 -6.332 7.496 5.367 1.00 0.00 C ATOM 1202 NE ARG A 100 -4.908 7.512 5.042 1.00 0.00 N ATOM 1203 CZ ARG A 100 -4.116 8.561 5.247 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -4.607 9.674 5.776 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -2.832 8.496 4.923 1.00 0.00 N ATOM 0 H ARG A 100 -6.810 4.716 1.394 1.00 0.00 H new ATOM 0 HA ARG A 100 -7.498 3.678 3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.735 5.390 3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.970 6.521 3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.024 6.176 5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.514 5.402 5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.848 8.245 4.767 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.468 7.775 6.412 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.498 6.672 4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.594 9.727 6.027 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.997 10.477 5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.451 7.642 4.516 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.225 9.300 5.080 1.00 0.00 H new ATOM 1219 N ASP A 101 -9.561 5.826 2.515 1.00 0.00 N ATOM 1220 CA ASP A 101 -10.935 6.314 2.508 1.00 0.00 C ATOM 1221 C ASP A 101 -11.910 5.193 2.162 1.00 0.00 C ATOM 1222 O ASP A 101 -12.901 4.985 2.862 1.00 0.00 O ATOM 1223 CB ASP A 101 -11.087 7.460 1.507 1.00 0.00 C ATOM 1224 CG ASP A 101 -10.223 8.655 1.857 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -10.689 9.519 2.630 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -9.079 8.728 1.360 1.00 0.00 O ATOM 0 H ASP A 101 -8.967 6.229 1.790 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.168 6.679 3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.824 7.105 0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -12.131 7.769 1.470 1.00 0.00 H new