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 Set 1.1: A 57 CYS SG : rot -65:sc= 0.556 USER MOD Set 1.2: A 58 GLN : amide:sc= -0.57 K(o=-0.014,f=-3.2!) USER MOD Single : A 34 GLN : amide:sc= -0.918 K(o=-0.92,f=-5.3!) USER MOD Single : A 36 SER OG : rot -61:sc= 0.723 USER MOD Single : A 42 THR OG1 : rot 79:sc= 0.136 USER MOD Single : A 44 CYS SG : rot 112:sc= 0.469 USER MOD Single : A 46 SER OG : rot -34:sc= 0.264 USER MOD Single : A 47 THR OG1 : rot -45:sc= 1.19 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 63 ASN : amide:sc= -0.58 X(o=-0.58,f=-0.55) USER MOD Single : A 74 CYS SG : rot 180:sc= 0.304 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 CYS SG : rot 69:sc= 0.177 USER MOD Single : A 79 GLN : amide:sc= -0.0588 X(o=-0.059,f=0) USER MOD Single : A 82 CYS SG : rot 74:sc= 0.368 USER MOD Single : A 87 ASN : amide:sc= -0.0894 X(o=-0.089,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -166:sc= -0.176 (180deg=-0.563) USER MOD Single : A 91 LYS NZ :NH3+ -163:sc= -0.0444 (180deg=-0.331) USER MOD Single : A 93 LYS NZ :NH3+ 162:sc= -0.0823 (180deg=-0.381) USER MOD Single : A 97 ASN : amide:sc= -1.28 K(o=-1.3,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 135:sc= -0.088 (180deg=-0.531) USER MOD Single : A 99 MET CE :methyl 160:sc= -0.0686 (180deg=-0.52) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -7.133 -7.050 8.650 1.00 0.00 N ATOM 143 CA GLN A 34 -6.838 -8.300 7.958 1.00 0.00 C ATOM 144 C GLN A 34 -5.637 -8.143 7.030 1.00 0.00 C ATOM 145 O GLN A 34 -4.958 -9.117 6.709 1.00 0.00 O ATOM 146 CB GLN A 34 -8.058 -8.766 7.158 1.00 0.00 C ATOM 147 CG GLN A 34 -9.279 -9.057 8.016 1.00 0.00 C ATOM 148 CD GLN A 34 -9.132 -10.324 8.839 1.00 0.00 C ATOM 149 OE1 GLN A 34 -8.030 -10.701 9.235 1.00 0.00 O ATOM 150 NE2 GLN A 34 -10.251 -10.991 9.100 1.00 0.00 N ATOM 0 HA GLN A 34 -6.595 -9.051 8.710 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.314 -8.001 6.425 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.794 -9.665 6.601 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.457 -8.214 8.684 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.155 -9.146 7.374 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.145 -10.643 8.752 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -10.216 -11.851 9.648 1.00 0.00 H new ATOM 159 N TRP A 35 -5.381 -6.909 6.603 1.00 0.00 N ATOM 160 CA TRP A 35 -4.262 -6.626 5.712 1.00 0.00 C ATOM 161 C TRP A 35 -2.932 -6.956 6.378 1.00 0.00 C ATOM 162 O TRP A 35 -2.504 -6.271 7.307 1.00 0.00 O ATOM 163 CB TRP A 35 -4.278 -5.159 5.281 1.00 0.00 C ATOM 164 CG TRP A 35 -5.275 -4.869 4.202 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.632 -4.817 4.332 1.00 0.00 C ATOM 166 CD2 TRP A 35 -4.993 -4.592 2.824 1.00 0.00 C ATOM 167 NE1 TRP A 35 -7.212 -4.525 3.122 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.227 -4.381 2.181 1.00 0.00 C ATOM 169 CE3 TRP A 35 -3.817 -4.499 2.074 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.318 -4.085 0.822 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -3.909 -4.206 0.726 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.151 -4.002 0.112 1.00 0.00 C ATOM 0 H TRP A 35 -5.933 -6.091 6.860 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.371 -7.257 4.830 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.499 -4.536 6.147 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.284 -4.879 4.932 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.172 -4.982 5.253 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.213 -4.431 2.952 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.854 -4.653 2.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.275 -3.927 0.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.007 -4.133 0.136 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.189 -3.775 -0.943 1.00 0.00 H new ATOM 183 N SER A 36 -2.284 -8.011 5.897 1.00 0.00 N ATOM 184 CA SER A 36 -0.997 -8.430 6.436 1.00 0.00 C ATOM 185 C SER A 36 0.131 -8.036 5.490 1.00 0.00 C ATOM 186 O SER A 36 -0.103 -7.398 4.464 1.00 0.00 O ATOM 187 CB SER A 36 -0.982 -9.941 6.674 1.00 0.00 C ATOM 188 OG SER A 36 -1.218 -10.649 5.469 1.00 0.00 O ATOM 0 H SER A 36 -2.630 -8.592 5.134 1.00 0.00 H new ATOM 0 HA SER A 36 -0.845 -7.925 7.390 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.019 -10.237 7.091 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.743 -10.204 7.409 1.00 0.00 H new ATOM 0 HG SER A 36 -2.103 -10.413 5.119 1.00 0.00 H new ATOM 194 N VAL A 37 1.354 -8.422 5.839 1.00 0.00 N ATOM 195 CA VAL A 37 2.519 -8.106 5.021 1.00 0.00 C ATOM 196 C VAL A 37 2.358 -8.628 3.594 1.00 0.00 C ATOM 197 O VAL A 37 2.607 -7.906 2.630 1.00 0.00 O ATOM 198 CB VAL A 37 3.807 -8.694 5.636 1.00 0.00 C ATOM 199 CG1 VAL A 37 4.990 -8.505 4.700 1.00 0.00 C ATOM 200 CG2 VAL A 37 4.089 -8.056 6.987 1.00 0.00 C ATOM 0 H VAL A 37 1.564 -8.954 6.683 1.00 0.00 H new ATOM 0 HA VAL A 37 2.600 -7.019 4.992 1.00 0.00 H new ATOM 0 HB VAL A 37 3.657 -9.764 5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.886 -8.927 5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.791 -9.010 3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.143 -7.441 4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.000 -8.481 7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.215 -6.980 6.862 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.254 -8.248 7.661 1.00 0.00 H new ATOM 210 N ASP A 38 1.937 -9.882 3.469 1.00 0.00 N ATOM 211 CA ASP A 38 1.752 -10.505 2.160 1.00 0.00 C ATOM 212 C ASP A 38 0.751 -9.732 1.302 1.00 0.00 C ATOM 213 O ASP A 38 0.999 -9.476 0.124 1.00 0.00 O ATOM 214 CB ASP A 38 1.282 -11.950 2.327 1.00 0.00 C ATOM 215 CG ASP A 38 2.292 -12.805 3.068 1.00 0.00 C ATOM 216 OD1 ASP A 38 2.284 -12.784 4.317 1.00 0.00 O ATOM 217 OD2 ASP A 38 3.092 -13.492 2.400 1.00 0.00 O ATOM 0 H ASP A 38 1.717 -10.489 4.258 1.00 0.00 H new ATOM 0 HA ASP A 38 2.715 -10.490 1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.335 -11.961 2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.094 -12.384 1.345 1.00 0.00 H new ATOM 222 N ASP A 39 -0.378 -9.365 1.899 1.00 0.00 N ATOM 223 CA ASP A 39 -1.421 -8.633 1.184 1.00 0.00 C ATOM 224 C ASP A 39 -0.928 -7.271 0.699 1.00 0.00 C ATOM 225 O ASP A 39 -1.039 -6.946 -0.483 1.00 0.00 O ATOM 226 CB ASP A 39 -2.645 -8.447 2.082 1.00 0.00 C ATOM 227 CG ASP A 39 -3.325 -9.760 2.417 1.00 0.00 C ATOM 228 OD1 ASP A 39 -2.893 -10.422 3.384 1.00 0.00 O ATOM 229 OD2 ASP A 39 -4.289 -10.127 1.714 1.00 0.00 O ATOM 0 H ASP A 39 -0.596 -9.562 2.876 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.693 -9.223 0.309 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.342 -7.953 3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.358 -7.788 1.587 1.00 0.00 H new ATOM 234 N VAL A 40 -0.383 -6.480 1.619 1.00 0.00 N ATOM 235 CA VAL A 40 0.111 -5.144 1.295 1.00 0.00 C ATOM 236 C VAL A 40 1.154 -5.171 0.179 1.00 0.00 C ATOM 237 O VAL A 40 1.093 -4.369 -0.752 1.00 0.00 O ATOM 238 CB VAL A 40 0.718 -4.459 2.535 1.00 0.00 C ATOM 239 CG1 VAL A 40 1.257 -3.081 2.180 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.315 -4.360 3.647 1.00 0.00 C ATOM 0 H VAL A 40 -0.272 -6.742 2.599 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.752 -4.574 0.949 1.00 0.00 H new ATOM 0 HB VAL A 40 1.550 -5.068 2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.681 -2.616 3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.030 -3.178 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.446 -2.461 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.130 -3.874 4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.167 -3.775 3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.649 -5.360 3.923 1.00 0.00 H new ATOM 250 N ILE A 41 2.108 -6.089 0.278 1.00 0.00 N ATOM 251 CA ILE A 41 3.170 -6.202 -0.721 1.00 0.00 C ATOM 252 C ILE A 41 2.610 -6.423 -2.124 1.00 0.00 C ATOM 253 O ILE A 41 2.842 -5.618 -3.026 1.00 0.00 O ATOM 254 CB ILE A 41 4.142 -7.349 -0.383 1.00 0.00 C ATOM 255 CG1 ILE A 41 4.925 -7.025 0.890 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.095 -7.605 -1.544 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.756 -8.182 1.399 1.00 0.00 C ATOM 0 H ILE A 41 2.170 -6.766 1.038 1.00 0.00 H new ATOM 0 HA ILE A 41 3.709 -5.255 -0.702 1.00 0.00 H new ATOM 0 HB ILE A 41 3.560 -8.255 -0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.580 -6.175 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.226 -6.720 1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.773 -8.418 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.523 -7.877 -2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.672 -6.703 -1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.284 -7.881 2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.105 -9.027 1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.479 -8.474 0.637 1.00 0.00 H new ATOM 269 N THR A 42 1.880 -7.519 -2.301 1.00 0.00 N ATOM 270 CA THR A 42 1.304 -7.858 -3.600 1.00 0.00 C ATOM 271 C THR A 42 0.524 -6.696 -4.207 1.00 0.00 C ATOM 272 O THR A 42 0.891 -6.184 -5.262 1.00 0.00 O ATOM 273 CB THR A 42 0.375 -9.083 -3.506 1.00 0.00 C ATOM 274 OG1 THR A 42 1.086 -10.197 -2.953 1.00 0.00 O ATOM 275 CG2 THR A 42 -0.166 -9.451 -4.879 1.00 0.00 C ATOM 0 H THR A 42 1.672 -8.189 -1.561 1.00 0.00 H new ATOM 0 HA THR A 42 2.149 -8.091 -4.248 1.00 0.00 H new ATOM 0 HB THR A 42 -0.462 -8.830 -2.856 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.138 -10.101 -1.979 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.820 -10.319 -4.792 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.730 -8.611 -5.285 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.663 -9.687 -5.545 1.00 0.00 H new ATOM 283 N TRP A 43 -0.553 -6.290 -3.542 1.00 0.00 N ATOM 284 CA TRP A 43 -1.390 -5.194 -4.031 1.00 0.00 C ATOM 285 C TRP A 43 -0.553 -3.978 -4.420 1.00 0.00 C ATOM 286 O TRP A 43 -0.682 -3.453 -5.526 1.00 0.00 O ATOM 287 CB TRP A 43 -2.420 -4.797 -2.970 1.00 0.00 C ATOM 288 CG TRP A 43 -3.244 -3.607 -3.358 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.383 -3.607 -4.112 1.00 0.00 C ATOM 290 CD2 TRP A 43 -2.989 -2.240 -3.016 1.00 0.00 C ATOM 291 NE1 TRP A 43 -4.852 -2.324 -4.259 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.013 -1.466 -3.595 1.00 0.00 C ATOM 293 CE3 TRP A 43 -1.994 -1.595 -2.275 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.069 -0.081 -3.457 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.051 -0.221 -2.138 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.083 0.522 -2.725 1.00 0.00 C ATOM 0 H TRP A 43 -0.869 -6.701 -2.664 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.907 -5.548 -4.923 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.082 -5.642 -2.782 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.903 -4.583 -2.035 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.847 -4.487 -4.531 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.688 -2.054 -4.777 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.195 -2.160 -1.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.861 0.495 -3.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.287 0.288 -1.569 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.101 1.594 -2.597 1.00 0.00 H new ATOM 307 N CYS A 44 0.300 -3.537 -3.503 1.00 0.00 N ATOM 308 CA CYS A 44 1.158 -2.377 -3.738 1.00 0.00 C ATOM 309 C CYS A 44 1.909 -2.484 -5.065 1.00 0.00 C ATOM 310 O CYS A 44 1.639 -1.741 -6.006 1.00 0.00 O ATOM 311 CB CYS A 44 2.157 -2.233 -2.588 1.00 0.00 C ATOM 312 SG CYS A 44 3.429 -0.982 -2.865 1.00 0.00 S ATOM 0 H CYS A 44 0.418 -3.966 -2.585 1.00 0.00 H new ATOM 0 HA CYS A 44 0.519 -1.495 -3.789 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.612 -1.985 -1.677 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.640 -3.195 -2.419 1.00 0.00 H new ATOM 0 HG CYS A 44 3.251 0.008 -2.041 1.00 0.00 H new ATOM 318 N ILE A 45 2.852 -3.417 -5.124 1.00 0.00 N ATOM 319 CA ILE A 45 3.667 -3.635 -6.317 1.00 0.00 C ATOM 320 C ILE A 45 2.816 -3.880 -7.563 1.00 0.00 C ATOM 321 O ILE A 45 3.145 -3.412 -8.653 1.00 0.00 O ATOM 322 CB ILE A 45 4.600 -4.845 -6.116 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.406 -4.689 -4.827 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.528 -5.013 -7.309 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.105 -5.961 -4.398 1.00 0.00 C ATOM 0 H ILE A 45 3.074 -4.043 -4.350 1.00 0.00 H new ATOM 0 HA ILE A 45 4.249 -2.725 -6.468 1.00 0.00 H new ATOM 0 HB ILE A 45 3.986 -5.742 -6.034 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.149 -3.903 -4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.740 -4.362 -4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.178 -5.873 -7.146 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.936 -5.171 -8.211 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.136 -4.116 -7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.658 -5.779 -3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.365 -6.743 -4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.796 -6.278 -5.179 1.00 0.00 H new ATOM 337 N SER A 46 1.721 -4.606 -7.390 1.00 0.00 N ATOM 338 CA SER A 46 0.833 -4.948 -8.499 1.00 0.00 C ATOM 339 C SER A 46 0.258 -3.716 -9.199 1.00 0.00 C ATOM 340 O SER A 46 -0.309 -3.833 -10.286 1.00 0.00 O ATOM 341 CB SER A 46 -0.309 -5.836 -8.005 1.00 0.00 C ATOM 342 OG SER A 46 -1.187 -6.176 -9.064 1.00 0.00 O ATOM 0 H SER A 46 1.422 -4.973 -6.487 1.00 0.00 H new ATOM 0 HA SER A 46 1.437 -5.485 -9.230 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.099 -6.744 -7.561 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.863 -5.319 -7.221 1.00 0.00 H new ATOM 0 HG SER A 46 -1.248 -5.426 -9.692 1.00 0.00 H new ATOM 348 N THR A 47 0.397 -2.539 -8.594 1.00 0.00 N ATOM 349 CA THR A 47 -0.146 -1.326 -9.200 1.00 0.00 C ATOM 350 C THR A 47 0.678 -0.080 -8.877 1.00 0.00 C ATOM 351 O THR A 47 0.227 1.038 -9.121 1.00 0.00 O ATOM 352 CB THR A 47 -1.602 -1.089 -8.751 1.00 0.00 C ATOM 353 OG1 THR A 47 -2.147 0.050 -9.426 1.00 0.00 O ATOM 354 CG2 THR A 47 -1.679 -0.876 -7.246 1.00 0.00 C ATOM 0 H THR A 47 0.871 -2.399 -7.702 1.00 0.00 H new ATOM 0 HA THR A 47 -0.107 -1.489 -10.277 1.00 0.00 H new ATOM 0 HB THR A 47 -2.183 -1.975 -9.007 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.493 0.780 -9.416 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.716 -0.711 -6.954 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.294 -1.758 -6.734 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.082 -0.007 -6.971 1.00 0.00 H new ATOM 362 N LEU A 48 1.882 -0.259 -8.340 1.00 0.00 N ATOM 363 CA LEU A 48 2.717 0.890 -8.008 1.00 0.00 C ATOM 364 C LEU A 48 3.682 1.224 -9.143 1.00 0.00 C ATOM 365 O LEU A 48 3.529 2.247 -9.812 1.00 0.00 O ATOM 366 CB LEU A 48 3.498 0.633 -6.714 1.00 0.00 C ATOM 367 CG LEU A 48 4.104 1.880 -6.061 1.00 0.00 C ATOM 368 CD1 LEU A 48 4.299 1.660 -4.571 1.00 0.00 C ATOM 369 CD2 LEU A 48 5.429 2.242 -6.713 1.00 0.00 C ATOM 0 H LEU A 48 2.294 -1.168 -8.129 1.00 0.00 H new ATOM 0 HA LEU A 48 2.057 1.745 -7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.833 0.153 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.301 -0.073 -6.927 1.00 0.00 H new ATOM 0 HG LEU A 48 3.410 2.708 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.730 2.556 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.336 1.450 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.971 0.816 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.840 3.130 -6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.128 1.413 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.270 2.443 -7.773 1.00 0.00 H new ATOM 381 N GLU A 49 4.673 0.364 -9.358 1.00 0.00 N ATOM 382 CA GLU A 49 5.655 0.588 -10.415 1.00 0.00 C ATOM 383 C GLU A 49 6.069 -0.716 -11.093 1.00 0.00 C ATOM 384 O GLU A 49 5.708 -0.979 -12.240 1.00 0.00 O ATOM 385 CB GLU A 49 6.891 1.294 -9.852 1.00 0.00 C ATOM 386 CG GLU A 49 7.945 1.610 -10.901 1.00 0.00 C ATOM 387 CD GLU A 49 7.417 2.504 -12.008 1.00 0.00 C ATOM 388 OE1 GLU A 49 7.486 3.742 -11.854 1.00 0.00 O ATOM 389 OE2 GLU A 49 6.935 1.966 -13.026 1.00 0.00 O ATOM 0 H GLU A 49 4.817 -0.489 -8.818 1.00 0.00 H new ATOM 0 HA GLU A 49 5.184 1.222 -11.166 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.581 2.221 -9.370 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.336 0.667 -9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.795 2.095 -10.422 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.312 0.679 -11.334 1.00 0.00 H new ATOM 396 N VAL A 50 6.832 -1.526 -10.364 1.00 0.00 N ATOM 397 CA VAL A 50 7.333 -2.795 -10.880 1.00 0.00 C ATOM 398 C VAL A 50 6.420 -3.957 -10.507 1.00 0.00 C ATOM 399 O VAL A 50 5.341 -3.759 -9.951 1.00 0.00 O ATOM 400 CB VAL A 50 8.750 -3.085 -10.339 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.741 -2.051 -10.852 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.743 -3.114 -8.817 1.00 0.00 C ATOM 0 H VAL A 50 7.118 -1.323 -9.406 1.00 0.00 H new ATOM 0 HA VAL A 50 7.361 -2.703 -11.966 1.00 0.00 H new ATOM 0 HB VAL A 50 9.063 -4.065 -10.700 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.734 -2.272 -10.460 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.766 -2.080 -11.941 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.434 -1.058 -10.523 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.749 -3.320 -8.452 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.409 -2.149 -8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.065 -3.894 -8.471 1.00 0.00 H new ATOM 412 N GLU A 51 6.859 -5.168 -10.836 1.00 0.00 N ATOM 413 CA GLU A 51 6.109 -6.376 -10.519 1.00 0.00 C ATOM 414 C GLU A 51 6.793 -7.108 -9.371 1.00 0.00 C ATOM 415 O GLU A 51 7.713 -6.567 -8.759 1.00 0.00 O ATOM 416 CB GLU A 51 6.007 -7.289 -11.744 1.00 0.00 C ATOM 417 CG GLU A 51 7.354 -7.671 -12.333 1.00 0.00 C ATOM 418 CD GLU A 51 7.227 -8.606 -13.520 1.00 0.00 C ATOM 419 OE1 GLU A 51 7.164 -9.835 -13.305 1.00 0.00 O ATOM 420 OE2 GLU A 51 7.190 -8.110 -14.666 1.00 0.00 O ATOM 0 H GLU A 51 7.737 -5.338 -11.326 1.00 0.00 H new ATOM 0 HA GLU A 51 5.098 -6.097 -10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.471 -8.197 -11.466 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.413 -6.790 -12.510 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.881 -6.768 -12.641 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.961 -8.147 -11.563 1.00 0.00 H new ATOM 427 N GLU A 52 6.353 -8.325 -9.071 1.00 0.00 N ATOM 428 CA GLU A 52 6.962 -9.081 -7.983 1.00 0.00 C ATOM 429 C GLU A 52 8.293 -9.677 -8.429 1.00 0.00 C ATOM 430 O GLU A 52 8.415 -10.886 -8.634 1.00 0.00 O ATOM 431 CB GLU A 52 6.018 -10.189 -7.509 1.00 0.00 C ATOM 432 CG GLU A 52 4.733 -9.671 -6.879 1.00 0.00 C ATOM 433 CD GLU A 52 3.829 -8.972 -7.877 1.00 0.00 C ATOM 434 OE1 GLU A 52 3.076 -9.672 -8.587 1.00 0.00 O ATOM 435 OE2 GLU A 52 3.874 -7.726 -7.948 1.00 0.00 O ATOM 0 H GLU A 52 5.592 -8.802 -9.555 1.00 0.00 H new ATOM 0 HA GLU A 52 7.146 -8.401 -7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.765 -10.826 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.541 -10.814 -6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.193 -10.504 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.982 -8.979 -6.074 1.00 0.00 H new ATOM 442 N THR A 53 9.287 -8.806 -8.583 1.00 0.00 N ATOM 443 CA THR A 53 10.626 -9.211 -8.992 1.00 0.00 C ATOM 444 C THR A 53 11.676 -8.349 -8.304 1.00 0.00 C ATOM 445 O THR A 53 12.605 -8.852 -7.671 1.00 0.00 O ATOM 446 CB THR A 53 10.807 -9.103 -10.519 1.00 0.00 C ATOM 447 OG1 THR A 53 10.658 -7.740 -10.938 1.00 0.00 O ATOM 448 CG2 THR A 53 9.793 -9.971 -11.248 1.00 0.00 C ATOM 0 H THR A 53 9.186 -7.803 -8.428 1.00 0.00 H new ATOM 0 HA THR A 53 10.753 -10.253 -8.698 1.00 0.00 H new ATOM 0 HB THR A 53 11.809 -9.453 -10.766 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.776 -7.681 -11.909 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.941 -9.878 -12.324 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.926 -11.012 -10.952 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.785 -9.646 -10.991 1.00 0.00 H new ATOM 456 N ASP A 54 11.504 -7.037 -8.443 1.00 0.00 N ATOM 457 CA ASP A 54 12.412 -6.054 -7.863 1.00 0.00 C ATOM 458 C ASP A 54 12.553 -6.247 -6.355 1.00 0.00 C ATOM 459 O ASP A 54 11.639 -6.752 -5.702 1.00 0.00 O ATOM 460 CB ASP A 54 11.884 -4.648 -8.150 1.00 0.00 C ATOM 461 CG ASP A 54 12.977 -3.685 -8.573 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.479 -3.819 -9.710 1.00 0.00 O ATOM 463 OD2 ASP A 54 13.328 -2.796 -7.770 1.00 0.00 O ATOM 0 H ASP A 54 10.729 -6.626 -8.963 1.00 0.00 H new ATOM 0 HA ASP A 54 13.395 -6.188 -8.315 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.129 -4.701 -8.935 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.390 -4.261 -7.259 1.00 0.00 H new ATOM 468 N PRO A 55 13.705 -5.847 -5.779 1.00 0.00 N ATOM 469 CA PRO A 55 13.946 -5.964 -4.337 1.00 0.00 C ATOM 470 C PRO A 55 12.929 -5.171 -3.524 1.00 0.00 C ATOM 471 O PRO A 55 12.918 -5.233 -2.294 1.00 0.00 O ATOM 472 CB PRO A 55 15.351 -5.381 -4.150 1.00 0.00 C ATOM 473 CG PRO A 55 15.982 -5.455 -5.498 1.00 0.00 C ATOM 474 CD PRO A 55 14.864 -5.266 -6.481 1.00 0.00 C ATOM 0 HA PRO A 55 13.856 -6.994 -3.992 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.307 -4.353 -3.791 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.920 -5.951 -3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.743 -4.683 -5.617 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.476 -6.415 -5.647 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.707 -4.213 -6.717 1.00 0.00 H new ATOM 0 HD3 PRO A 55 15.064 -5.777 -7.423 1.00 0.00 H new ATOM 482 N LEU A 56 12.081 -4.415 -4.222 1.00 0.00 N ATOM 483 CA LEU A 56 11.048 -3.616 -3.574 1.00 0.00 C ATOM 484 C LEU A 56 10.227 -4.480 -2.626 1.00 0.00 C ATOM 485 O LEU A 56 9.894 -4.064 -1.517 1.00 0.00 O ATOM 486 CB LEU A 56 10.133 -2.980 -4.626 1.00 0.00 C ATOM 487 CG LEU A 56 9.021 -2.087 -4.071 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.593 -0.776 -3.556 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.964 -1.828 -5.133 1.00 0.00 C ATOM 0 H LEU A 56 12.092 -4.341 -5.239 1.00 0.00 H new ATOM 0 HA LEU A 56 11.531 -2.825 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.745 -2.389 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.677 -3.775 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 56 8.550 -2.606 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.786 -0.155 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.311 -0.979 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.092 -0.252 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.182 -1.191 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.422 -1.332 -5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.530 -2.775 -5.453 1.00 0.00 H new ATOM 501 N CYS A 57 9.905 -5.690 -3.076 1.00 0.00 N ATOM 502 CA CYS A 57 9.131 -6.626 -2.268 1.00 0.00 C ATOM 503 C CYS A 57 9.929 -7.074 -1.049 1.00 0.00 C ATOM 504 O CYS A 57 9.366 -7.341 0.012 1.00 0.00 O ATOM 505 CB CYS A 57 8.734 -7.846 -3.103 1.00 0.00 C ATOM 506 SG CYS A 57 10.138 -8.799 -3.730 1.00 0.00 S ATOM 0 H CYS A 57 10.168 -6.044 -3.995 1.00 0.00 H new ATOM 0 HA CYS A 57 8.229 -6.116 -1.928 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.107 -8.499 -2.497 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.128 -7.514 -3.946 1.00 0.00 H new ATOM 0 HG CYS A 57 10.816 -8.072 -4.568 1.00 0.00 H new ATOM 512 N GLN A 58 11.246 -7.152 -1.212 1.00 0.00 N ATOM 513 CA GLN A 58 12.128 -7.569 -0.130 1.00 0.00 C ATOM 514 C GLN A 58 12.164 -6.522 0.979 1.00 0.00 C ATOM 515 O GLN A 58 12.256 -6.856 2.159 1.00 0.00 O ATOM 516 CB GLN A 58 13.542 -7.809 -0.663 1.00 0.00 C ATOM 517 CG GLN A 58 13.592 -8.744 -1.860 1.00 0.00 C ATOM 518 CD GLN A 58 13.054 -10.126 -1.547 1.00 0.00 C ATOM 519 OE1 GLN A 58 13.142 -10.599 -0.413 1.00 0.00 O ATOM 520 NE2 GLN A 58 12.491 -10.782 -2.555 1.00 0.00 N ATOM 0 H GLN A 58 11.726 -6.931 -2.085 1.00 0.00 H new ATOM 0 HA GLN A 58 11.738 -8.498 0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.983 -6.852 -0.942 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.157 -8.223 0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 58 13.016 -8.311 -2.678 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.622 -8.830 -2.206 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.440 -10.352 -3.478 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.110 -11.716 -2.406 1.00 0.00 H new ATOM 529 N ARG A 59 12.088 -5.253 0.590 1.00 0.00 N ATOM 530 CA ARG A 59 12.117 -4.156 1.551 1.00 0.00 C ATOM 531 C ARG A 59 10.829 -4.105 2.366 1.00 0.00 C ATOM 532 O ARG A 59 10.865 -4.031 3.595 1.00 0.00 O ATOM 533 CB ARG A 59 12.329 -2.824 0.827 1.00 0.00 C ATOM 534 CG ARG A 59 13.591 -2.785 -0.021 1.00 0.00 C ATOM 535 CD ARG A 59 14.844 -2.896 0.836 1.00 0.00 C ATOM 536 NE ARG A 59 16.059 -2.919 0.026 1.00 0.00 N ATOM 537 CZ ARG A 59 17.285 -2.813 0.533 1.00 0.00 C ATOM 538 NH1 ARG A 59 17.456 -2.668 1.841 1.00 0.00 N ATOM 539 NH2 ARG A 59 18.341 -2.851 -0.268 1.00 0.00 N ATOM 0 H ARG A 59 12.006 -4.959 -0.383 1.00 0.00 H new ATOM 0 HA ARG A 59 12.948 -4.329 2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.467 -2.625 0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.372 -2.022 1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.570 -3.601 -0.744 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.619 -1.856 -0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.886 -2.055 1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.792 -3.803 1.438 1.00 0.00 H new ATOM 0 HE ARG A 59 15.963 -3.022 -0.984 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.647 -2.638 2.461 1.00 0.00 H new ATOM 0 HH12 ARG A 59 18.397 -2.587 2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 59 18.214 -2.962 -1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 59 19.280 -2.770 0.122 1.00 0.00 H new ATOM 553 N LEU A 60 9.695 -4.143 1.675 1.00 0.00 N ATOM 554 CA LEU A 60 8.393 -4.099 2.335 1.00 0.00 C ATOM 555 C LEU A 60 8.222 -5.274 3.292 1.00 0.00 C ATOM 556 O LEU A 60 7.740 -5.109 4.412 1.00 0.00 O ATOM 557 CB LEU A 60 7.269 -4.108 1.296 1.00 0.00 C ATOM 558 CG LEU A 60 7.217 -2.884 0.378 1.00 0.00 C ATOM 559 CD1 LEU A 60 6.223 -3.110 -0.751 1.00 0.00 C ATOM 560 CD2 LEU A 60 6.848 -1.637 1.170 1.00 0.00 C ATOM 0 H LEU A 60 9.650 -4.204 0.658 1.00 0.00 H new ATOM 0 HA LEU A 60 8.341 -3.175 2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.374 -5.000 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.315 -4.192 1.817 1.00 0.00 H new ATOM 0 HG LEU A 60 8.206 -2.736 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.198 -2.231 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.527 -3.979 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.231 -3.283 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.816 -0.777 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.870 -1.775 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.594 -1.465 1.946 1.00 0.00 H new ATOM 572 N ARG A 61 8.621 -6.462 2.843 1.00 0.00 N ATOM 573 CA ARG A 61 8.504 -7.666 3.661 1.00 0.00 C ATOM 574 C ARG A 61 9.340 -7.560 4.933 1.00 0.00 C ATOM 575 O ARG A 61 8.838 -7.789 6.034 1.00 0.00 O ATOM 576 CB ARG A 61 8.929 -8.899 2.861 1.00 0.00 C ATOM 577 CG ARG A 61 8.674 -10.209 3.589 1.00 0.00 C ATOM 578 CD ARG A 61 9.060 -11.406 2.736 1.00 0.00 C ATOM 579 NE ARG A 61 10.493 -11.438 2.456 1.00 0.00 N ATOM 580 CZ ARG A 61 11.084 -12.396 1.746 1.00 0.00 C ATOM 581 NH1 ARG A 61 10.369 -13.392 1.244 1.00 0.00 N ATOM 582 NH2 ARG A 61 12.393 -12.356 1.540 1.00 0.00 N ATOM 0 H ARG A 61 9.027 -6.616 1.920 1.00 0.00 H new ATOM 0 HA ARG A 61 7.458 -7.768 3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.393 -8.909 1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.991 -8.823 2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.242 -10.226 4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.620 -10.278 3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.770 -12.324 3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.508 -11.375 1.797 1.00 0.00 H new ATOM 0 HE ARG A 61 11.073 -10.684 2.825 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.362 -13.426 1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.826 -14.124 0.700 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.947 -11.591 1.926 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.846 -13.090 0.996 1.00 0.00 H new ATOM 596 N GLU A 62 10.617 -7.218 4.778 1.00 0.00 N ATOM 597 CA GLU A 62 11.520 -7.089 5.920 1.00 0.00 C ATOM 598 C GLU A 62 10.932 -6.168 6.983 1.00 0.00 C ATOM 599 O GLU A 62 11.096 -6.405 8.180 1.00 0.00 O ATOM 600 CB GLU A 62 12.885 -6.567 5.470 1.00 0.00 C ATOM 601 CG GLU A 62 13.724 -7.605 4.742 1.00 0.00 C ATOM 602 CD GLU A 62 14.036 -8.812 5.607 1.00 0.00 C ATOM 603 OE1 GLU A 62 14.992 -8.737 6.406 1.00 0.00 O ATOM 604 OE2 GLU A 62 13.323 -9.830 5.485 1.00 0.00 O ATOM 0 H GLU A 62 11.050 -7.025 3.875 1.00 0.00 H new ATOM 0 HA GLU A 62 11.648 -8.079 6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.738 -5.707 4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.435 -6.214 6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.195 -7.931 3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.657 -7.147 4.413 1.00 0.00 H new ATOM 611 N ASN A 63 10.247 -5.117 6.543 1.00 0.00 N ATOM 612 CA ASN A 63 9.632 -4.174 7.468 1.00 0.00 C ATOM 613 C ASN A 63 8.181 -4.555 7.730 1.00 0.00 C ATOM 614 O ASN A 63 7.277 -4.114 7.021 1.00 0.00 O ATOM 615 CB ASN A 63 9.705 -2.748 6.919 1.00 0.00 C ATOM 616 CG ASN A 63 11.126 -2.316 6.610 1.00 0.00 C ATOM 617 OD1 ASN A 63 12.077 -2.771 7.246 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.276 -1.431 5.632 1.00 0.00 N ATOM 0 H ASN A 63 10.105 -4.898 5.557 1.00 0.00 H new ATOM 0 HA ASN A 63 10.184 -4.214 8.407 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.103 -2.680 6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.269 -2.060 7.644 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.208 -1.101 5.381 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.459 -1.081 5.131 1.00 0.00 H new ATOM 625 N ASP A 64 7.969 -5.392 8.740 1.00 0.00 N ATOM 626 CA ASP A 64 6.626 -5.831 9.099 1.00 0.00 C ATOM 627 C ASP A 64 5.718 -4.634 9.358 1.00 0.00 C ATOM 628 O ASP A 64 5.725 -4.061 10.448 1.00 0.00 O ATOM 629 CB ASP A 64 6.673 -6.732 10.335 1.00 0.00 C ATOM 630 CG ASP A 64 5.298 -7.216 10.751 1.00 0.00 C ATOM 631 OD1 ASP A 64 4.848 -8.254 10.222 1.00 0.00 O ATOM 632 OD2 ASP A 64 4.669 -6.556 11.605 1.00 0.00 O ATOM 0 H ASP A 64 8.710 -5.780 9.324 1.00 0.00 H new ATOM 0 HA ASP A 64 6.219 -6.400 8.263 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.311 -7.592 10.130 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.128 -6.187 11.162 1.00 0.00 H new ATOM 637 N ILE A 65 4.942 -4.258 8.346 1.00 0.00 N ATOM 638 CA ILE A 65 4.030 -3.126 8.457 1.00 0.00 C ATOM 639 C ILE A 65 2.605 -3.532 8.098 1.00 0.00 C ATOM 640 O ILE A 65 2.280 -3.727 6.927 1.00 0.00 O ATOM 641 CB ILE A 65 4.468 -1.960 7.545 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.850 -1.442 7.959 1.00 0.00 C ATOM 643 CG2 ILE A 65 3.442 -0.835 7.579 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.891 -0.858 9.355 1.00 0.00 C ATOM 0 H ILE A 65 4.927 -4.722 7.438 1.00 0.00 H new ATOM 0 HA ILE A 65 4.059 -2.795 9.495 1.00 0.00 H new ATOM 0 HB ILE A 65 4.533 -2.332 6.522 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.568 -2.260 7.896 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.171 -0.681 7.247 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.770 -0.023 6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.479 -1.210 7.233 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.341 -0.465 8.599 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.901 -0.513 9.576 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.199 -0.018 9.419 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.602 -1.622 10.077 1.00 0.00 H new ATOM 656 N VAL A 66 1.759 -3.657 9.116 1.00 0.00 N ATOM 657 CA VAL A 66 0.366 -4.032 8.908 1.00 0.00 C ATOM 658 C VAL A 66 -0.377 -2.936 8.149 1.00 0.00 C ATOM 659 O VAL A 66 0.062 -1.786 8.117 1.00 0.00 O ATOM 660 CB VAL A 66 -0.342 -4.310 10.251 1.00 0.00 C ATOM 661 CG1 VAL A 66 -0.360 -3.061 11.118 1.00 0.00 C ATOM 662 CG2 VAL A 66 -1.755 -4.831 10.026 1.00 0.00 C ATOM 0 H VAL A 66 2.014 -3.504 10.092 1.00 0.00 H new ATOM 0 HA VAL A 66 0.354 -4.947 8.315 1.00 0.00 H new ATOM 0 HB VAL A 66 0.221 -5.082 10.775 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.864 -3.279 12.060 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.663 -2.743 11.319 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.892 -2.265 10.598 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.231 -5.019 10.988 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.333 -4.090 9.474 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.714 -5.758 9.454 1.00 0.00 H new ATOM 672 N GLY A 67 -1.498 -3.300 7.538 1.00 0.00 N ATOM 673 CA GLY A 67 -2.280 -2.339 6.780 1.00 0.00 C ATOM 674 C GLY A 67 -2.771 -1.180 7.627 1.00 0.00 C ATOM 675 O GLY A 67 -3.083 -0.111 7.102 1.00 0.00 O ATOM 0 H GLY A 67 -1.881 -4.245 7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.676 -1.953 5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.136 -2.845 6.334 1.00 0.00 H new ATOM 679 N ASP A 68 -2.842 -1.391 8.936 1.00 0.00 N ATOM 680 CA ASP A 68 -3.310 -0.357 9.856 1.00 0.00 C ATOM 681 C ASP A 68 -2.229 0.692 10.116 1.00 0.00 C ATOM 682 O ASP A 68 -2.428 1.616 10.904 1.00 0.00 O ATOM 683 CB ASP A 68 -3.745 -0.994 11.178 1.00 0.00 C ATOM 684 CG ASP A 68 -4.454 -0.012 12.091 1.00 0.00 C ATOM 685 OD1 ASP A 68 -5.678 0.177 11.923 1.00 0.00 O ATOM 686 OD2 ASP A 68 -3.787 0.564 12.975 1.00 0.00 O ATOM 0 H ASP A 68 -2.582 -2.269 9.386 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.161 0.144 9.394 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.406 -1.836 10.972 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.870 -1.394 11.690 1.00 0.00 H new ATOM 691 N LEU A 69 -1.089 0.547 9.448 1.00 0.00 N ATOM 692 CA LEU A 69 0.021 1.480 9.622 1.00 0.00 C ATOM 693 C LEU A 69 0.196 2.382 8.402 1.00 0.00 C ATOM 694 O LEU A 69 0.563 3.549 8.535 1.00 0.00 O ATOM 695 CB LEU A 69 1.313 0.706 9.892 1.00 0.00 C ATOM 696 CG LEU A 69 1.606 0.390 11.366 1.00 0.00 C ATOM 697 CD1 LEU A 69 0.328 0.073 12.131 1.00 0.00 C ATOM 698 CD2 LEU A 69 2.585 -0.768 11.470 1.00 0.00 C ATOM 0 H LEU A 69 -0.909 -0.205 8.783 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.208 2.118 10.476 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.274 -0.233 9.339 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.149 1.279 9.490 1.00 0.00 H new ATOM 0 HG LEU A 69 2.053 1.276 11.817 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.571 -0.146 13.171 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.344 0.930 12.088 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.159 -0.793 11.682 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.785 -0.982 12.520 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.157 -1.650 10.995 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.517 -0.503 10.970 1.00 0.00 H new ATOM 710 N LEU A 70 -0.065 1.837 7.215 1.00 0.00 N ATOM 711 CA LEU A 70 0.073 2.595 5.974 1.00 0.00 C ATOM 712 C LEU A 70 -0.624 3.960 6.047 1.00 0.00 C ATOM 713 O LEU A 70 -0.004 4.982 5.749 1.00 0.00 O ATOM 714 CB LEU A 70 -0.470 1.788 4.790 1.00 0.00 C ATOM 715 CG LEU A 70 0.462 0.689 4.273 1.00 0.00 C ATOM 716 CD1 LEU A 70 0.477 -0.500 5.220 1.00 0.00 C ATOM 717 CD2 LEU A 70 0.051 0.255 2.874 1.00 0.00 C ATOM 0 H LEU A 70 -0.373 0.873 7.087 1.00 0.00 H new ATOM 0 HA LEU A 70 1.137 2.779 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.416 1.333 5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.687 2.474 3.971 1.00 0.00 H new ATOM 0 HG LEU A 70 1.472 1.095 4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.146 -1.267 4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.825 -0.179 6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.530 -0.908 5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.725 -0.527 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.969 -0.128 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.102 1.109 2.198 1.00 0.00 H new ATOM 729 N PRO A 71 -1.915 4.012 6.443 1.00 0.00 N ATOM 730 CA PRO A 71 -2.653 5.278 6.531 1.00 0.00 C ATOM 731 C PRO A 71 -2.140 6.180 7.649 1.00 0.00 C ATOM 732 O PRO A 71 -2.483 7.360 7.714 1.00 0.00 O ATOM 733 CB PRO A 71 -4.091 4.839 6.814 1.00 0.00 C ATOM 734 CG PRO A 71 -3.961 3.506 7.461 1.00 0.00 C ATOM 735 CD PRO A 71 -2.755 2.861 6.836 1.00 0.00 C ATOM 0 HA PRO A 71 -2.546 5.869 5.622 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.600 5.548 7.467 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.674 4.778 5.895 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.836 3.606 8.539 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.855 2.904 7.298 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.238 2.208 7.540 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.027 2.250 5.975 1.00 0.00 H new ATOM 743 N GLU A 72 -1.318 5.617 8.529 1.00 0.00 N ATOM 744 CA GLU A 72 -0.758 6.373 9.644 1.00 0.00 C ATOM 745 C GLU A 72 0.656 6.856 9.323 1.00 0.00 C ATOM 746 O GLU A 72 1.164 7.781 9.956 1.00 0.00 O ATOM 747 CB GLU A 72 -0.743 5.516 10.913 1.00 0.00 C ATOM 748 CG GLU A 72 -0.261 6.261 12.148 1.00 0.00 C ATOM 749 CD GLU A 72 -0.317 5.409 13.401 1.00 0.00 C ATOM 750 OE1 GLU A 72 0.683 4.721 13.697 1.00 0.00 O ATOM 751 OE2 GLU A 72 -1.360 5.432 14.089 1.00 0.00 O ATOM 0 H GLU A 72 -1.025 4.641 8.492 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.389 7.246 9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.748 5.138 11.097 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.102 4.650 10.748 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.763 6.598 11.988 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.872 7.152 12.292 1.00 0.00 H new ATOM 758 N LEU A 73 1.283 6.226 8.333 1.00 0.00 N ATOM 759 CA LEU A 73 2.638 6.592 7.931 1.00 0.00 C ATOM 760 C LEU A 73 2.625 7.764 6.952 1.00 0.00 C ATOM 761 O LEU A 73 1.666 7.951 6.203 1.00 0.00 O ATOM 762 CB LEU A 73 3.348 5.391 7.297 1.00 0.00 C ATOM 763 CG LEU A 73 3.617 4.215 8.241 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.249 3.058 7.484 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.511 4.645 9.395 1.00 0.00 C ATOM 0 H LEU A 73 0.875 5.461 7.795 1.00 0.00 H new ATOM 0 HA LEU A 73 3.181 6.898 8.825 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.746 5.034 6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.299 5.729 6.884 1.00 0.00 H new ATOM 0 HG LEU A 73 2.664 3.882 8.651 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.433 2.231 8.170 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.575 2.729 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.193 3.382 7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.689 3.795 10.053 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.462 5.007 9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.023 5.442 9.956 1.00 0.00 H new ATOM 777 N CYS A 74 3.699 8.552 6.969 1.00 0.00 N ATOM 778 CA CYS A 74 3.819 9.710 6.087 1.00 0.00 C ATOM 779 C CYS A 74 4.756 9.404 4.920 1.00 0.00 C ATOM 780 O CYS A 74 5.258 8.286 4.796 1.00 0.00 O ATOM 781 CB CYS A 74 4.335 10.916 6.877 1.00 0.00 C ATOM 782 SG CYS A 74 4.109 12.506 6.045 1.00 0.00 S ATOM 0 H CYS A 74 4.499 8.409 7.585 1.00 0.00 H new ATOM 0 HA CYS A 74 2.834 9.943 5.683 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.826 10.948 7.841 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.396 10.774 7.081 1.00 0.00 H new ATOM 0 HG CYS A 74 4.576 13.459 6.796 1.00 0.00 H new ATOM 788 N LEU A 75 4.985 10.398 4.063 1.00 0.00 N ATOM 789 CA LEU A 75 5.863 10.229 2.908 1.00 0.00 C ATOM 790 C LEU A 75 7.252 9.765 3.337 1.00 0.00 C ATOM 791 O LEU A 75 7.865 8.926 2.675 1.00 0.00 O ATOM 792 CB LEU A 75 5.976 11.536 2.114 1.00 0.00 C ATOM 793 CG LEU A 75 4.772 11.887 1.232 1.00 0.00 C ATOM 794 CD1 LEU A 75 4.508 10.786 0.216 1.00 0.00 C ATOM 795 CD2 LEU A 75 3.534 12.141 2.080 1.00 0.00 C ATOM 0 H LEU A 75 4.575 11.328 4.147 1.00 0.00 H new ATOM 0 HA LEU A 75 5.422 9.464 2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.138 12.353 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.862 11.479 1.481 1.00 0.00 H new ATOM 0 HG LEU A 75 5.007 12.803 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.650 11.056 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.384 10.660 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.301 9.852 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.693 12.388 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.297 11.246 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.723 12.971 2.761 1.00 0.00 H new ATOM 807 N GLN A 76 7.749 10.319 4.441 1.00 0.00 N ATOM 808 CA GLN A 76 9.065 9.950 4.951 1.00 0.00 C ATOM 809 C GLN A 76 9.148 8.444 5.173 1.00 0.00 C ATOM 810 O GLN A 76 10.092 7.788 4.727 1.00 0.00 O ATOM 811 CB GLN A 76 9.365 10.696 6.254 1.00 0.00 C ATOM 812 CG GLN A 76 8.282 10.545 7.311 1.00 0.00 C ATOM 813 CD GLN A 76 8.696 11.103 8.655 1.00 0.00 C ATOM 814 OE1 GLN A 76 8.486 12.281 8.945 1.00 0.00 O ATOM 815 NE2 GLN A 76 9.288 10.252 9.482 1.00 0.00 N ATOM 0 H GLN A 76 7.262 11.022 4.997 1.00 0.00 H new ATOM 0 HA GLN A 76 9.812 10.234 4.210 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.309 10.333 6.660 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.499 11.755 6.033 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.378 11.053 6.974 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.033 9.490 7.422 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.440 9.285 9.196 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.591 10.565 10.404 1.00 0.00 H new ATOM 824 N ASP A 77 8.150 7.900 5.861 1.00 0.00 N ATOM 825 CA ASP A 77 8.102 6.471 6.131 1.00 0.00 C ATOM 826 C ASP A 77 8.023 5.699 4.821 1.00 0.00 C ATOM 827 O ASP A 77 8.703 4.689 4.642 1.00 0.00 O ATOM 828 CB ASP A 77 6.903 6.136 7.017 1.00 0.00 C ATOM 829 CG ASP A 77 6.941 6.874 8.341 1.00 0.00 C ATOM 830 OD1 ASP A 77 6.395 7.995 8.411 1.00 0.00 O ATOM 831 OD2 ASP A 77 7.516 6.331 9.306 1.00 0.00 O ATOM 0 H ASP A 77 7.365 8.428 6.241 1.00 0.00 H new ATOM 0 HA ASP A 77 9.011 6.182 6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.983 6.388 6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.880 5.062 7.203 1.00 0.00 H new ATOM 836 N CYS A 78 7.191 6.191 3.906 1.00 0.00 N ATOM 837 CA CYS A 78 7.026 5.565 2.600 1.00 0.00 C ATOM 838 C CYS A 78 8.378 5.401 1.922 1.00 0.00 C ATOM 839 O CYS A 78 8.629 4.405 1.243 1.00 0.00 O ATOM 840 CB CYS A 78 6.099 6.407 1.723 1.00 0.00 C ATOM 841 SG CYS A 78 4.410 6.547 2.351 1.00 0.00 S ATOM 0 H CYS A 78 6.620 7.024 4.047 1.00 0.00 H new ATOM 0 HA CYS A 78 6.580 4.580 2.739 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.521 7.407 1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.068 5.972 0.724 1.00 0.00 H new ATOM 0 HG CYS A 78 4.409 7.258 3.439 1.00 0.00 H new ATOM 847 N GLN A 79 9.244 6.392 2.109 1.00 0.00 N ATOM 848 CA GLN A 79 10.578 6.355 1.532 1.00 0.00 C ATOM 849 C GLN A 79 11.367 5.200 2.134 1.00 0.00 C ATOM 850 O GLN A 79 12.084 4.488 1.429 1.00 0.00 O ATOM 851 CB GLN A 79 11.301 7.681 1.781 1.00 0.00 C ATOM 852 CG GLN A 79 12.636 7.793 1.064 1.00 0.00 C ATOM 853 CD GLN A 79 13.320 9.123 1.312 1.00 0.00 C ATOM 854 OE1 GLN A 79 14.094 9.270 2.259 1.00 0.00 O ATOM 855 NE2 GLN A 79 13.036 10.104 0.462 1.00 0.00 N ATOM 0 H GLN A 79 9.043 7.229 2.656 1.00 0.00 H new ATOM 0 HA GLN A 79 10.496 6.205 0.456 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.657 8.501 1.462 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.463 7.801 2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.290 6.985 1.393 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.481 7.662 -0.007 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.389 9.939 -0.309 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.465 11.022 0.581 1.00 0.00 H new ATOM 864 N ASP A 80 11.225 5.019 3.445 1.00 0.00 N ATOM 865 CA ASP A 80 11.906 3.937 4.144 1.00 0.00 C ATOM 866 C ASP A 80 11.384 2.584 3.666 1.00 0.00 C ATOM 867 O ASP A 80 12.111 1.591 3.665 1.00 0.00 O ATOM 868 CB ASP A 80 11.708 4.074 5.656 1.00 0.00 C ATOM 869 CG ASP A 80 12.357 2.942 6.430 1.00 0.00 C ATOM 870 OD1 ASP A 80 13.544 3.076 6.794 1.00 0.00 O ATOM 871 OD2 ASP A 80 11.677 1.923 6.672 1.00 0.00 O ATOM 0 H ASP A 80 10.645 5.608 4.042 1.00 0.00 H new ATOM 0 HA ASP A 80 12.972 3.998 3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.125 5.024 5.990 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.641 4.098 5.879 1.00 0.00 H new ATOM 876 N LEU A 81 10.116 2.557 3.260 1.00 0.00 N ATOM 877 CA LEU A 81 9.493 1.331 2.769 1.00 0.00 C ATOM 878 C LEU A 81 9.959 1.019 1.352 1.00 0.00 C ATOM 879 O LEU A 81 9.902 -0.127 0.906 1.00 0.00 O ATOM 880 CB LEU A 81 7.963 1.455 2.798 1.00 0.00 C ATOM 881 CG LEU A 81 7.285 1.024 4.104 1.00 0.00 C ATOM 882 CD1 LEU A 81 7.668 -0.401 4.472 1.00 0.00 C ATOM 883 CD2 LEU A 81 7.636 1.981 5.232 1.00 0.00 C ATOM 0 H LEU A 81 9.501 3.370 3.262 1.00 0.00 H new ATOM 0 HA LEU A 81 9.794 0.514 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.697 2.493 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.553 0.858 1.983 1.00 0.00 H new ATOM 0 HG LEU A 81 6.206 1.055 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.174 -0.682 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.357 -1.078 3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.748 -0.466 4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.145 1.657 6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.716 1.987 5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.299 2.985 4.975 1.00 0.00 H new ATOM 895 N CYS A 82 10.418 2.049 0.648 1.00 0.00 N ATOM 896 CA CYS A 82 10.897 1.891 -0.720 1.00 0.00 C ATOM 897 C CYS A 82 12.420 1.822 -0.757 1.00 0.00 C ATOM 898 O CYS A 82 13.076 1.831 0.285 1.00 0.00 O ATOM 899 CB CYS A 82 10.407 3.050 -1.592 1.00 0.00 C ATOM 900 SG CYS A 82 8.607 3.168 -1.719 1.00 0.00 S ATOM 0 H CYS A 82 10.468 3.004 1.004 1.00 0.00 H new ATOM 0 HA CYS A 82 10.498 0.956 -1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 82 10.794 3.985 -1.186 1.00 0.00 H new ATOM 0 HB3 CYS A 82 10.825 2.940 -2.593 1.00 0.00 H new ATOM 0 HG CYS A 82 8.123 3.631 -0.605 1.00 0.00 H new ATOM 906 N ASP A 83 12.976 1.752 -1.963 1.00 0.00 N ATOM 907 CA ASP A 83 14.421 1.680 -2.139 1.00 0.00 C ATOM 908 C ASP A 83 15.114 2.863 -1.470 1.00 0.00 C ATOM 909 O ASP A 83 16.235 2.740 -0.976 1.00 0.00 O ATOM 910 CB ASP A 83 14.772 1.647 -3.627 1.00 0.00 C ATOM 911 CG ASP A 83 16.269 1.594 -3.866 1.00 0.00 C ATOM 912 OD1 ASP A 83 16.835 0.481 -3.846 1.00 0.00 O ATOM 913 OD2 ASP A 83 16.874 2.667 -4.072 1.00 0.00 O ATOM 0 H ASP A 83 12.445 1.744 -2.834 1.00 0.00 H new ATOM 0 HA ASP A 83 14.772 0.763 -1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 83 14.302 0.779 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.360 2.530 -4.115 1.00 0.00 H new ATOM 918 N GLY A 84 14.439 4.008 -1.457 1.00 0.00 N ATOM 919 CA GLY A 84 15.005 5.197 -0.846 1.00 0.00 C ATOM 920 C GLY A 84 14.685 6.460 -1.621 1.00 0.00 C ATOM 921 O GLY A 84 14.896 7.568 -1.128 1.00 0.00 O ATOM 0 H GLY A 84 13.510 4.134 -1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.626 5.294 0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.087 5.084 -0.774 1.00 0.00 H new ATOM 925 N ASP A 85 14.173 6.294 -2.837 1.00 0.00 N ATOM 926 CA ASP A 85 13.825 7.433 -3.680 1.00 0.00 C ATOM 927 C ASP A 85 12.552 8.108 -3.179 1.00 0.00 C ATOM 928 O ASP A 85 11.653 7.449 -2.656 1.00 0.00 O ATOM 929 CB ASP A 85 13.646 6.983 -5.132 1.00 0.00 C ATOM 930 CG ASP A 85 13.430 8.150 -6.074 1.00 0.00 C ATOM 931 OD1 ASP A 85 14.432 8.750 -6.517 1.00 0.00 O ATOM 932 OD2 ASP A 85 12.258 8.464 -6.369 1.00 0.00 O ATOM 0 H ASP A 85 13.990 5.384 -3.260 1.00 0.00 H new ATOM 0 HA ASP A 85 14.640 8.155 -3.631 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.526 6.423 -5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.796 6.304 -5.197 1.00 0.00 H new ATOM 937 N LEU A 86 12.482 9.426 -3.341 1.00 0.00 N ATOM 938 CA LEU A 86 11.320 10.191 -2.897 1.00 0.00 C ATOM 939 C LEU A 86 10.127 9.966 -3.822 1.00 0.00 C ATOM 940 O LEU A 86 9.035 9.631 -3.365 1.00 0.00 O ATOM 941 CB LEU A 86 11.659 11.682 -2.836 1.00 0.00 C ATOM 942 CG LEU A 86 10.530 12.585 -2.332 1.00 0.00 C ATOM 943 CD1 LEU A 86 10.185 12.257 -0.888 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.921 14.050 -2.467 1.00 0.00 C ATOM 0 H LEU A 86 13.215 9.986 -3.776 1.00 0.00 H new ATOM 0 HA LEU A 86 11.050 9.844 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.526 11.815 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.951 12.013 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 86 9.647 12.404 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.381 12.910 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.863 11.218 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.064 12.408 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.108 14.679 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.818 14.243 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.117 14.279 -3.514 1.00 0.00 H new ATOM 956 N ASN A 87 10.345 10.156 -5.122 1.00 0.00 N ATOM 957 CA ASN A 87 9.289 9.978 -6.116 1.00 0.00 C ATOM 958 C ASN A 87 8.571 8.646 -5.922 1.00 0.00 C ATOM 959 O ASN A 87 7.340 8.583 -5.924 1.00 0.00 O ATOM 960 CB ASN A 87 9.872 10.048 -7.528 1.00 0.00 C ATOM 961 CG ASN A 87 10.390 11.430 -7.875 1.00 0.00 C ATOM 962 OD1 ASN A 87 9.656 12.267 -8.400 1.00 0.00 O ATOM 963 ND2 ASN A 87 11.663 11.675 -7.583 1.00 0.00 N ATOM 0 H ASN A 87 11.246 10.434 -5.512 1.00 0.00 H new ATOM 0 HA ASN A 87 8.566 10.783 -5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.684 9.326 -7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.107 9.759 -8.248 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.068 12.587 -7.794 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.235 10.951 -7.148 1.00 0.00 H new ATOM 970 N LYS A 88 9.352 7.586 -5.759 1.00 0.00 N ATOM 971 CA LYS A 88 8.806 6.249 -5.560 1.00 0.00 C ATOM 972 C LYS A 88 7.853 6.232 -4.366 1.00 0.00 C ATOM 973 O LYS A 88 6.776 5.634 -4.422 1.00 0.00 O ATOM 974 CB LYS A 88 9.946 5.255 -5.336 1.00 0.00 C ATOM 975 CG LYS A 88 9.565 3.807 -5.598 1.00 0.00 C ATOM 976 CD LYS A 88 9.410 3.532 -7.086 1.00 0.00 C ATOM 977 CE LYS A 88 9.274 2.045 -7.370 1.00 0.00 C ATOM 978 NZ LYS A 88 10.461 1.279 -6.897 1.00 0.00 N ATOM 0 H LYS A 88 10.371 7.627 -5.761 1.00 0.00 H new ATOM 0 HA LYS A 88 8.247 5.961 -6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.781 5.523 -5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.298 5.347 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.328 3.148 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.631 3.577 -5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.533 4.057 -7.464 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.273 3.928 -7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.377 1.663 -6.882 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.145 1.890 -8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.446 0.325 -7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.330 1.769 -7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.437 1.207 -5.860 1.00 0.00 H new ATOM 992 N ALA A 89 8.258 6.899 -3.289 1.00 0.00 N ATOM 993 CA ALA A 89 7.449 6.968 -2.081 1.00 0.00 C ATOM 994 C ALA A 89 6.147 7.720 -2.333 1.00 0.00 C ATOM 995 O ALA A 89 5.126 7.442 -1.703 1.00 0.00 O ATOM 996 CB ALA A 89 8.233 7.625 -0.955 1.00 0.00 C ATOM 0 H ALA A 89 9.145 7.400 -3.231 1.00 0.00 H new ATOM 0 HA ALA A 89 7.197 5.950 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.614 7.669 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.131 7.042 -0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.517 8.635 -1.250 1.00 0.00 H new ATOM 1002 N ILE A 90 6.189 8.677 -3.256 1.00 0.00 N ATOM 1003 CA ILE A 90 5.008 9.465 -3.591 1.00 0.00 C ATOM 1004 C ILE A 90 3.911 8.576 -4.163 1.00 0.00 C ATOM 1005 O ILE A 90 2.784 8.570 -3.668 1.00 0.00 O ATOM 1006 CB ILE A 90 5.337 10.583 -4.600 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.420 11.508 -4.035 1.00 0.00 C ATOM 1008 CG2 ILE A 90 4.081 11.373 -4.942 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.866 12.587 -4.999 1.00 0.00 C ATOM 0 H ILE A 90 7.026 8.925 -3.784 1.00 0.00 H new ATOM 0 HA ILE A 90 4.658 9.925 -2.667 1.00 0.00 H new ATOM 0 HB ILE A 90 5.717 10.128 -5.515 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.045 11.978 -3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.285 10.908 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.329 12.159 -5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.339 10.705 -5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.675 11.821 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.633 13.201 -4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.272 12.126 -5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.014 13.212 -5.265 1.00 0.00 H new ATOM 1021 N LYS A 91 4.246 7.826 -5.210 1.00 0.00 N ATOM 1022 CA LYS A 91 3.288 6.926 -5.843 1.00 0.00 C ATOM 1023 C LYS A 91 2.731 5.932 -4.829 1.00 0.00 C ATOM 1024 O LYS A 91 1.563 5.548 -4.897 1.00 0.00 O ATOM 1025 CB LYS A 91 3.946 6.176 -7.004 1.00 0.00 C ATOM 1026 CG LYS A 91 4.370 7.080 -8.153 1.00 0.00 C ATOM 1027 CD LYS A 91 3.171 7.733 -8.825 1.00 0.00 C ATOM 1028 CE LYS A 91 2.329 6.716 -9.579 1.00 0.00 C ATOM 1029 NZ LYS A 91 3.090 6.082 -10.691 1.00 0.00 N ATOM 0 H LYS A 91 5.172 7.824 -5.637 1.00 0.00 H new ATOM 0 HA LYS A 91 2.464 7.525 -6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.820 5.642 -6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.251 5.426 -7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.043 7.852 -7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.927 6.498 -8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.557 8.229 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.515 8.504 -9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.985 5.946 -8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.441 7.205 -9.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.427 5.625 -11.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.634 6.809 -11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.741 5.369 -10.304 1.00 0.00 H new ATOM 1043 N PHE A 92 3.578 5.520 -3.892 1.00 0.00 N ATOM 1044 CA PHE A 92 3.177 4.575 -2.855 1.00 0.00 C ATOM 1045 C PHE A 92 2.047 5.152 -2.002 1.00 0.00 C ATOM 1046 O PHE A 92 0.945 4.597 -1.951 1.00 0.00 O ATOM 1047 CB PHE A 92 4.386 4.231 -1.978 1.00 0.00 C ATOM 1048 CG PHE A 92 4.104 3.225 -0.894 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.483 2.019 -1.184 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.477 3.483 0.414 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.241 1.092 -0.187 1.00 0.00 C ATOM 1052 CE2 PHE A 92 4.234 2.561 1.415 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.617 1.364 1.114 1.00 0.00 C ATOM 0 H PHE A 92 4.549 5.826 -3.829 1.00 0.00 H new ATOM 0 HA PHE A 92 2.809 3.666 -3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.183 3.847 -2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.758 5.147 -1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.185 1.802 -2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.964 4.416 0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.758 0.156 -0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.527 2.777 2.432 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.428 0.641 1.894 1.00 0.00 H new ATOM 1063 N LYS A 93 2.322 6.275 -1.345 1.00 0.00 N ATOM 1064 CA LYS A 93 1.333 6.928 -0.492 1.00 0.00 C ATOM 1065 C LYS A 93 0.065 7.257 -1.274 1.00 0.00 C ATOM 1066 O LYS A 93 -1.039 7.201 -0.733 1.00 0.00 O ATOM 1067 CB LYS A 93 1.914 8.207 0.114 1.00 0.00 C ATOM 1068 CG LYS A 93 0.963 8.911 1.069 1.00 0.00 C ATOM 1069 CD LYS A 93 0.744 8.100 2.337 1.00 0.00 C ATOM 1070 CE LYS A 93 -0.380 8.677 3.182 1.00 0.00 C ATOM 1071 NZ LYS A 93 -1.693 8.605 2.484 1.00 0.00 N ATOM 0 H LYS A 93 3.222 6.753 -1.387 1.00 0.00 H new ATOM 0 HA LYS A 93 1.074 6.236 0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.834 7.963 0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.182 8.892 -0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.365 9.891 1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.007 9.079 0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.510 7.068 2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.665 8.079 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.440 8.134 4.125 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.155 9.715 3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.461 8.715 3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.753 9.366 1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.784 7.684 2.009 1.00 0.00 H new ATOM 1085 N ILE A 94 0.233 7.605 -2.546 1.00 0.00 N ATOM 1086 CA ILE A 94 -0.896 7.943 -3.403 1.00 0.00 C ATOM 1087 C ILE A 94 -1.902 6.801 -3.469 1.00 0.00 C ATOM 1088 O ILE A 94 -3.051 6.948 -3.051 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.433 8.286 -4.832 1.00 0.00 C ATOM 1090 CG1 ILE A 94 0.169 9.692 -4.870 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -1.594 8.164 -5.809 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.788 10.052 -6.203 1.00 0.00 C ATOM 0 H ILE A 94 1.142 7.660 -3.006 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.374 8.818 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 94 0.338 7.576 -5.132 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.609 10.417 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.929 9.774 -4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.251 8.409 -6.814 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.976 7.143 -5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.388 8.852 -5.518 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.194 11.062 -6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.589 9.350 -6.434 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.027 10.004 -6.982 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.464 5.670 -4.015 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.321 4.500 -4.142 1.00 0.00 C ATOM 1106 C LEU A 95 -3.027 4.204 -2.828 1.00 0.00 C ATOM 1107 O LEU A 95 -4.171 3.744 -2.814 1.00 0.00 O ATOM 1108 CB LEU A 95 -1.503 3.292 -4.583 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.094 3.303 -6.054 1.00 0.00 C ATOM 1110 CD1 LEU A 95 0.079 2.372 -6.278 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -2.267 2.906 -6.938 1.00 0.00 C ATOM 0 H LEU A 95 -0.519 5.541 -4.376 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.077 4.710 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.603 3.236 -3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.080 2.388 -4.387 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.791 4.315 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.361 2.389 -7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.923 2.698 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.202 1.358 -5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.956 2.920 -7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.600 1.903 -6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.086 3.611 -6.794 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.341 4.478 -1.723 1.00 0.00 N ATOM 1124 CA ILE A 96 -2.909 4.241 -0.406 1.00 0.00 C ATOM 1125 C ILE A 96 -4.012 5.248 -0.086 1.00 0.00 C ATOM 1126 O ILE A 96 -5.006 4.907 0.553 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.831 4.300 0.695 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.697 3.322 0.383 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.443 3.991 2.055 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.522 3.505 1.264 1.00 0.00 C ATOM 0 H ILE A 96 -1.396 4.862 -1.716 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.337 3.239 -0.426 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.419 5.309 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.066 2.303 0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.402 3.441 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.669 4.037 2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.219 4.723 2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.879 2.992 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.285 2.778 0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.917 4.513 1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.243 3.357 2.307 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.829 6.485 -0.535 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.808 7.542 -0.293 1.00 0.00 C ATOM 1144 C ASN A 97 -6.167 7.188 -0.890 1.00 0.00 C ATOM 1145 O ASN A 97 -7.195 7.306 -0.224 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.313 8.867 -0.877 1.00 0.00 C ATOM 1147 CG ASN A 97 -5.296 10.001 -0.653 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -5.231 10.704 0.357 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -6.212 10.186 -1.596 1.00 0.00 N ATOM 0 H ASN A 97 -3.012 6.782 -1.069 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.926 7.645 0.786 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.355 9.125 -0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.138 8.747 -1.946 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.899 10.934 -1.500 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.229 9.580 -2.416 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.166 6.754 -2.147 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.406 6.389 -2.829 1.00 0.00 C ATOM 1158 C LYS A 98 -8.082 5.197 -2.161 1.00 0.00 C ATOM 1159 O LYS A 98 -9.274 5.242 -1.859 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.136 6.078 -4.304 1.00 0.00 C ATOM 1161 CG LYS A 98 -7.358 7.267 -5.227 1.00 0.00 C ATOM 1162 CD LYS A 98 -6.356 8.381 -4.964 1.00 0.00 C ATOM 1163 CE LYS A 98 -4.970 8.009 -5.461 1.00 0.00 C ATOM 1164 NZ LYS A 98 -4.958 7.750 -6.928 1.00 0.00 N ATOM 0 H LYS A 98 -5.324 6.646 -2.713 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.081 7.242 -2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.108 5.732 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.783 5.259 -4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.276 6.942 -6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.370 7.649 -5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.688 9.295 -5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.316 8.592 -3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.273 8.814 -5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.621 7.122 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.138 8.224 -7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.895 6.726 -7.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.833 8.119 -7.353 1.00 0.00 H new ATOM 1178 N MET A 99 -7.320 4.133 -1.934 1.00 0.00 N ATOM 1179 CA MET A 99 -7.861 2.931 -1.306 1.00 0.00 C ATOM 1180 C MET A 99 -8.350 3.227 0.110 1.00 0.00 C ATOM 1181 O MET A 99 -9.198 2.512 0.645 1.00 0.00 O ATOM 1182 CB MET A 99 -6.809 1.821 -1.274 1.00 0.00 C ATOM 1183 CG MET A 99 -7.384 0.455 -0.932 1.00 0.00 C ATOM 1184 SD MET A 99 -6.121 -0.826 -0.818 1.00 0.00 S ATOM 1185 CE MET A 99 -5.212 -0.282 0.627 1.00 0.00 C ATOM 0 H MET A 99 -6.330 4.077 -2.174 1.00 0.00 H new ATOM 0 HA MET A 99 -8.710 2.596 -1.902 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.318 1.768 -2.246 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.042 2.078 -0.543 1.00 0.00 H new ATOM 0 HG2 MET A 99 -7.918 0.518 0.016 1.00 0.00 H new ATOM 0 HG3 MET A 99 -8.114 0.173 -1.691 1.00 0.00 H new ATOM 0 HE1 MET A 99 -4.645 -1.118 1.037 1.00 0.00 H new ATOM 0 HE2 MET A 99 -4.527 0.518 0.346 1.00 0.00 H new ATOM 0 HE3 MET A 99 -5.910 0.086 1.379 1.00 0.00 H new ATOM 1195 N ARG A 100 -7.812 4.284 0.711 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.194 4.672 2.066 1.00 0.00 C ATOM 1197 C ARG A 100 -9.559 5.354 2.073 1.00 0.00 C ATOM 1198 O ARG A 100 -10.462 4.953 2.808 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.141 5.605 2.667 1.00 0.00 C ATOM 1200 CG ARG A 100 -7.435 6.019 4.100 1.00 0.00 C ATOM 1201 CD ARG A 100 -6.407 7.016 4.612 1.00 0.00 C ATOM 1202 NE ARG A 100 -6.675 7.423 5.989 1.00 0.00 N ATOM 1203 CZ ARG A 100 -5.975 8.353 6.634 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -4.965 8.966 6.031 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -6.285 8.670 7.884 1.00 0.00 N ATOM 0 H ARG A 100 -7.110 4.887 0.282 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.257 3.768 2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.170 5.111 2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.066 6.499 2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.430 6.459 4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -7.440 5.138 4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.413 6.574 4.552 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.404 7.896 3.968 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.442 6.969 6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.723 8.725 5.070 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.431 9.678 6.528 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.061 8.201 8.352 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.748 9.383 8.378 1.00 0.00 H new ATOM 1219 N ASP A 101 -9.702 6.390 1.250 1.00 0.00 N ATOM 1220 CA ASP A 101 -10.956 7.128 1.159 1.00 0.00 C ATOM 1221 C ASP A 101 -12.002 6.332 0.385 1.00 0.00 C ATOM 1222 O ASP A 101 -13.183 6.681 0.382 1.00 0.00 O ATOM 1223 CB ASP A 101 -10.726 8.482 0.487 1.00 0.00 C ATOM 1224 CG ASP A 101 -9.809 9.381 1.294 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -8.576 9.199 1.212 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -10.324 10.267 2.007 1.00 0.00 O ATOM 0 H ASP A 101 -8.964 6.736 0.637 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.328 7.291 2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.297 8.325 -0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.685 8.981 0.343 1.00 0.00 H new