USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=13 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= -0.194 X(o=-0.19,f=-0.54) USER MOD Single : A 36 SER OG : rot 180:sc= -0.196 USER MOD Single : A 42 THR OG1 : rot 81:sc= 1.12 USER MOD Single : A 44 CYS SG : rot 97:sc= -0.125 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -65:sc= 0.139 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.294 USER MOD Single : A 58 GLN : amide:sc= -0.99 K(o=-0.99,f=0) USER MOD Single : A 63 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.36) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.551 USER MOD Single : A 76 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.11) USER MOD Single : A 78 CYS SG : rot -113:sc= 0.688 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 82 CYS SG : rot 75:sc= 0.455 USER MOD Single : A 87 ASN : amide:sc= -0.0907 K(o=-0.091,f=-3.2!) USER MOD Single : A 88 LYS NZ :NH3+ -146:sc= -0.288 (180deg=-1.21) USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= -0.0753 (180deg=-0.36) USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= -0.0238 (180deg=-0.203) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -7.682 -7.108 8.553 1.00 0.00 N ATOM 143 CA GLN A 34 -7.043 -8.417 8.461 1.00 0.00 C ATOM 144 C GLN A 34 -5.979 -8.450 7.363 1.00 0.00 C ATOM 145 O GLN A 34 -5.598 -9.521 6.889 1.00 0.00 O ATOM 146 CB GLN A 34 -8.098 -9.497 8.204 1.00 0.00 C ATOM 147 CG GLN A 34 -7.619 -10.907 8.515 1.00 0.00 C ATOM 148 CD GLN A 34 -7.242 -11.086 9.973 1.00 0.00 C ATOM 149 OE1 GLN A 34 -6.096 -10.861 10.363 1.00 0.00 O ATOM 150 NE2 GLN A 34 -8.208 -11.497 10.787 1.00 0.00 N ATOM 0 HA GLN A 34 -6.546 -8.613 9.411 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.980 -9.281 8.807 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.406 -9.450 7.160 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.403 -11.619 8.256 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.758 -11.140 7.889 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.144 -11.671 10.421 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.014 -11.638 11.778 1.00 0.00 H new ATOM 159 N TRP A 35 -5.496 -7.278 6.966 1.00 0.00 N ATOM 160 CA TRP A 35 -4.469 -7.195 5.930 1.00 0.00 C ATOM 161 C TRP A 35 -3.112 -7.628 6.474 1.00 0.00 C ATOM 162 O TRP A 35 -2.634 -7.093 7.476 1.00 0.00 O ATOM 163 CB TRP A 35 -4.375 -5.774 5.372 1.00 0.00 C ATOM 164 CG TRP A 35 -5.369 -5.495 4.289 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.719 -5.392 4.426 1.00 0.00 C ATOM 166 CD2 TRP A 35 -5.088 -5.285 2.900 1.00 0.00 C ATOM 167 NE1 TRP A 35 -7.300 -5.132 3.209 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.319 -5.061 2.256 1.00 0.00 C ATOM 169 CE3 TRP A 35 -3.916 -5.264 2.140 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.411 -4.819 0.889 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.007 -5.023 0.783 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.247 -4.803 0.168 1.00 0.00 C ATOM 0 H TRP A 35 -5.795 -6.378 7.341 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.755 -7.871 5.124 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.524 -5.062 6.184 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.370 -5.610 4.984 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.256 -5.499 5.357 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.299 -5.011 3.042 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.956 -5.433 2.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.366 -4.650 0.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.107 -5.004 0.186 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.285 -4.617 -0.895 1.00 0.00 H new ATOM 183 N SER A 36 -2.497 -8.600 5.808 1.00 0.00 N ATOM 184 CA SER A 36 -1.194 -9.104 6.223 1.00 0.00 C ATOM 185 C SER A 36 -0.086 -8.497 5.369 1.00 0.00 C ATOM 186 O SER A 36 -0.355 -7.859 4.352 1.00 0.00 O ATOM 187 CB SER A 36 -1.157 -10.630 6.122 1.00 0.00 C ATOM 188 OG SER A 36 0.093 -11.140 6.549 1.00 0.00 O ATOM 0 H SER A 36 -2.880 -9.054 4.979 1.00 0.00 H new ATOM 0 HA SER A 36 -1.031 -8.815 7.261 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.954 -11.057 6.730 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.344 -10.934 5.092 1.00 0.00 H new ATOM 0 HG SER A 36 0.090 -12.117 6.476 1.00 0.00 H new ATOM 194 N VAL A 37 1.160 -8.701 5.788 1.00 0.00 N ATOM 195 CA VAL A 37 2.308 -8.171 5.061 1.00 0.00 C ATOM 196 C VAL A 37 2.333 -8.683 3.625 1.00 0.00 C ATOM 197 O VAL A 37 2.628 -7.935 2.694 1.00 0.00 O ATOM 198 CB VAL A 37 3.633 -8.544 5.751 1.00 0.00 C ATOM 199 CG1 VAL A 37 4.815 -7.959 4.996 1.00 0.00 C ATOM 200 CG2 VAL A 37 3.633 -8.076 7.198 1.00 0.00 C ATOM 0 H VAL A 37 1.400 -9.229 6.627 1.00 0.00 H new ATOM 0 HA VAL A 37 2.204 -7.086 5.055 1.00 0.00 H new ATOM 0 HB VAL A 37 3.729 -9.630 5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.741 -8.234 5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.826 -8.349 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.727 -6.873 4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.578 -8.349 7.669 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.511 -6.993 7.230 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.811 -8.550 7.734 1.00 0.00 H new ATOM 210 N ASP A 38 2.020 -9.963 3.455 1.00 0.00 N ATOM 211 CA ASP A 38 2.008 -10.578 2.133 1.00 0.00 C ATOM 212 C ASP A 38 0.951 -9.934 1.239 1.00 0.00 C ATOM 213 O ASP A 38 1.149 -9.791 0.033 1.00 0.00 O ATOM 214 CB ASP A 38 1.744 -12.080 2.249 1.00 0.00 C ATOM 215 CG ASP A 38 1.690 -12.765 0.897 1.00 0.00 C ATOM 216 OD1 ASP A 38 2.757 -13.182 0.400 1.00 0.00 O ATOM 217 OD2 ASP A 38 0.580 -12.884 0.337 1.00 0.00 O ATOM 0 H ASP A 38 1.771 -10.595 4.216 1.00 0.00 H new ATOM 0 HA ASP A 38 2.987 -10.420 1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.527 -12.538 2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.802 -12.241 2.772 1.00 0.00 H new ATOM 222 N ASP A 39 -0.169 -9.544 1.841 1.00 0.00 N ATOM 223 CA ASP A 39 -1.259 -8.920 1.098 1.00 0.00 C ATOM 224 C ASP A 39 -0.890 -7.507 0.654 1.00 0.00 C ATOM 225 O ASP A 39 -1.069 -7.146 -0.509 1.00 0.00 O ATOM 226 CB ASP A 39 -2.528 -8.879 1.950 1.00 0.00 C ATOM 227 CG ASP A 39 -3.072 -10.264 2.244 1.00 0.00 C ATOM 228 OD1 ASP A 39 -2.562 -10.915 3.181 1.00 0.00 O ATOM 229 OD2 ASP A 39 -4.008 -10.696 1.540 1.00 0.00 O ATOM 0 H ASP A 39 -0.345 -9.649 2.840 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.441 -9.522 0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.315 -8.368 2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.290 -8.294 1.434 1.00 0.00 H new ATOM 234 N VAL A 40 -0.376 -6.712 1.588 1.00 0.00 N ATOM 235 CA VAL A 40 0.011 -5.337 1.292 1.00 0.00 C ATOM 236 C VAL A 40 1.071 -5.281 0.194 1.00 0.00 C ATOM 237 O VAL A 40 1.007 -4.437 -0.695 1.00 0.00 O ATOM 238 CB VAL A 40 0.545 -4.620 2.548 1.00 0.00 C ATOM 239 CG1 VAL A 40 0.921 -3.180 2.226 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.485 -4.671 3.666 1.00 0.00 C ATOM 0 H VAL A 40 -0.218 -6.996 2.555 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.887 -4.826 0.946 1.00 0.00 H new ATOM 0 HB VAL A 40 1.443 -5.137 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.295 -2.692 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.695 -3.169 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.042 -2.647 1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.093 -4.161 4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.401 -4.179 3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.700 -5.710 3.915 1.00 0.00 H new ATOM 250 N ILE A 41 2.042 -6.186 0.263 1.00 0.00 N ATOM 251 CA ILE A 41 3.120 -6.234 -0.722 1.00 0.00 C ATOM 252 C ILE A 41 2.599 -6.588 -2.113 1.00 0.00 C ATOM 253 O ILE A 41 2.792 -5.832 -3.065 1.00 0.00 O ATOM 254 CB ILE A 41 4.203 -7.255 -0.311 1.00 0.00 C ATOM 255 CG1 ILE A 41 5.008 -6.721 0.874 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.124 -7.570 -1.482 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.823 -7.784 1.577 1.00 0.00 C ATOM 0 H ILE A 41 2.106 -6.897 0.991 1.00 0.00 H new ATOM 0 HA ILE A 41 3.558 -5.236 -0.756 1.00 0.00 H new ATOM 0 HB ILE A 41 3.709 -8.179 -0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.676 -5.934 0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.325 -6.264 1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.878 -8.291 -1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.540 -7.989 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.614 -6.655 -1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.368 -7.335 2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.158 -8.560 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.530 -8.224 0.874 1.00 0.00 H new ATOM 269 N THR A 42 1.949 -7.741 -2.221 1.00 0.00 N ATOM 270 CA THR A 42 1.414 -8.206 -3.498 1.00 0.00 C ATOM 271 C THR A 42 0.595 -7.125 -4.197 1.00 0.00 C ATOM 272 O THR A 42 0.883 -6.764 -5.338 1.00 0.00 O ATOM 273 CB THR A 42 0.539 -9.461 -3.317 1.00 0.00 C ATOM 274 OG1 THR A 42 1.288 -10.490 -2.660 1.00 0.00 O ATOM 275 CG2 THR A 42 0.040 -9.973 -4.661 1.00 0.00 C ATOM 0 H THR A 42 1.779 -8.373 -1.439 1.00 0.00 H new ATOM 0 HA THR A 42 2.274 -8.453 -4.120 1.00 0.00 H new ATOM 0 HB THR A 42 -0.322 -9.190 -2.706 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.295 -10.324 -1.694 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.575 -10.859 -4.507 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.554 -9.199 -5.147 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.891 -10.228 -5.292 1.00 0.00 H new ATOM 283 N TRP A 43 -0.426 -6.614 -3.517 1.00 0.00 N ATOM 284 CA TRP A 43 -1.276 -5.580 -4.096 1.00 0.00 C ATOM 285 C TRP A 43 -0.469 -4.332 -4.440 1.00 0.00 C ATOM 286 O TRP A 43 -0.616 -3.769 -5.525 1.00 0.00 O ATOM 287 CB TRP A 43 -2.416 -5.209 -3.144 1.00 0.00 C ATOM 288 CG TRP A 43 -3.319 -4.155 -3.710 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.386 -4.350 -4.538 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.223 -2.741 -3.502 1.00 0.00 C ATOM 291 NE1 TRP A 43 -4.960 -3.143 -4.860 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.263 -2.141 -4.235 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.359 -1.923 -2.765 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.462 -0.764 -4.255 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.558 -0.555 -2.786 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.603 0.013 -3.526 1.00 0.00 C ATOM 0 H TRP A 43 -0.684 -6.896 -2.571 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.701 -5.987 -5.014 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.001 -6.101 -2.919 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.997 -4.856 -2.202 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.729 -5.312 -4.889 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.771 -3.014 -5.465 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.552 -2.353 -2.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.266 -0.324 -4.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.897 0.086 -2.222 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.733 1.085 -3.521 1.00 0.00 H new ATOM 307 N CYS A 44 0.379 -3.903 -3.508 1.00 0.00 N ATOM 308 CA CYS A 44 1.207 -2.718 -3.717 1.00 0.00 C ATOM 309 C CYS A 44 1.985 -2.819 -5.023 1.00 0.00 C ATOM 310 O CYS A 44 1.699 -2.103 -5.976 1.00 0.00 O ATOM 311 CB CYS A 44 2.177 -2.525 -2.551 1.00 0.00 C ATOM 312 SG CYS A 44 3.300 -1.121 -2.751 1.00 0.00 S ATOM 0 H CYS A 44 0.511 -4.356 -2.604 1.00 0.00 H new ATOM 0 HA CYS A 44 0.543 -1.855 -3.773 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.604 -2.390 -1.634 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.766 -3.434 -2.428 1.00 0.00 H new ATOM 0 HG CYS A 44 2.826 -0.092 -2.113 1.00 0.00 H new ATOM 318 N ILE A 45 2.960 -3.721 -5.052 1.00 0.00 N ATOM 319 CA ILE A 45 3.792 -3.925 -6.234 1.00 0.00 C ATOM 320 C ILE A 45 2.952 -4.045 -7.504 1.00 0.00 C ATOM 321 O ILE A 45 3.290 -3.473 -8.538 1.00 0.00 O ATOM 322 CB ILE A 45 4.654 -5.196 -6.089 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.509 -5.116 -4.822 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.532 -5.383 -7.317 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.256 -6.397 -4.516 1.00 0.00 C ATOM 0 H ILE A 45 3.195 -4.326 -4.265 1.00 0.00 H new ATOM 0 HA ILE A 45 4.436 -3.050 -6.317 1.00 0.00 H new ATOM 0 HB ILE A 45 3.993 -6.059 -6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.227 -4.303 -4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.868 -4.867 -3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.134 -6.284 -7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.904 -5.479 -8.202 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.188 -4.520 -7.430 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.841 -6.268 -3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.543 -7.210 -4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.923 -6.636 -5.345 1.00 0.00 H new ATOM 337 N SER A 46 1.854 -4.787 -7.413 1.00 0.00 N ATOM 338 CA SER A 46 0.971 -4.997 -8.557 1.00 0.00 C ATOM 339 C SER A 46 0.446 -3.680 -9.127 1.00 0.00 C ATOM 340 O SER A 46 0.154 -3.589 -10.319 1.00 0.00 O ATOM 341 CB SER A 46 -0.202 -5.892 -8.157 1.00 0.00 C ATOM 342 OG SER A 46 -1.079 -6.103 -9.252 1.00 0.00 O ATOM 0 H SER A 46 1.553 -5.254 -6.558 1.00 0.00 H new ATOM 0 HA SER A 46 1.558 -5.484 -9.336 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.173 -6.850 -7.798 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.748 -5.434 -7.332 1.00 0.00 H new ATOM 0 HG SER A 46 -1.820 -6.680 -8.971 1.00 0.00 H new ATOM 348 N THR A 47 0.329 -2.661 -8.279 1.00 0.00 N ATOM 349 CA THR A 47 -0.180 -1.364 -8.718 1.00 0.00 C ATOM 350 C THR A 47 0.724 -0.206 -8.294 1.00 0.00 C ATOM 351 O THR A 47 0.301 0.948 -8.327 1.00 0.00 O ATOM 352 CB THR A 47 -1.590 -1.102 -8.153 1.00 0.00 C ATOM 353 OG1 THR A 47 -1.527 -0.974 -6.727 1.00 0.00 O ATOM 354 CG2 THR A 47 -2.548 -2.223 -8.519 1.00 0.00 C ATOM 0 H THR A 47 0.578 -2.707 -7.291 1.00 0.00 H new ATOM 0 HA THR A 47 -0.209 -1.409 -9.807 1.00 0.00 H new ATOM 0 HB THR A 47 -1.961 -0.176 -8.592 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.249 -1.827 -6.334 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.534 -2.009 -8.106 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.618 -2.302 -9.604 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.180 -3.164 -8.110 1.00 0.00 H new ATOM 362 N LEU A 48 1.963 -0.499 -7.910 1.00 0.00 N ATOM 363 CA LEU A 48 2.876 0.555 -7.473 1.00 0.00 C ATOM 364 C LEU A 48 3.750 1.045 -8.624 1.00 0.00 C ATOM 365 O LEU A 48 3.574 2.162 -9.112 1.00 0.00 O ATOM 366 CB LEU A 48 3.762 0.050 -6.325 1.00 0.00 C ATOM 367 CG LEU A 48 4.312 1.125 -5.375 1.00 0.00 C ATOM 368 CD1 LEU A 48 5.263 2.067 -6.101 1.00 0.00 C ATOM 369 CD2 LEU A 48 3.176 1.906 -4.731 1.00 0.00 C ATOM 0 H LEU A 48 2.354 -1.441 -7.892 1.00 0.00 H new ATOM 0 HA LEU A 48 2.273 1.392 -7.122 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.188 -0.666 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.604 -0.492 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 48 4.873 0.620 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.636 2.817 -5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.101 1.498 -6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.734 2.561 -6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.588 2.662 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.583 2.391 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.543 1.225 -4.163 1.00 0.00 H new ATOM 381 N GLU A 49 4.690 0.210 -9.055 1.00 0.00 N ATOM 382 CA GLU A 49 5.585 0.582 -10.143 1.00 0.00 C ATOM 383 C GLU A 49 5.915 -0.604 -11.042 1.00 0.00 C ATOM 384 O GLU A 49 5.531 -0.641 -12.210 1.00 0.00 O ATOM 385 CB GLU A 49 6.875 1.184 -9.580 1.00 0.00 C ATOM 386 CG GLU A 49 7.819 1.718 -10.645 1.00 0.00 C ATOM 387 CD GLU A 49 7.186 2.803 -11.495 1.00 0.00 C ATOM 388 OE1 GLU A 49 7.223 3.980 -11.079 1.00 0.00 O ATOM 389 OE2 GLU A 49 6.652 2.475 -12.576 1.00 0.00 O ATOM 0 H GLU A 49 4.851 -0.721 -8.671 1.00 0.00 H new ATOM 0 HA GLU A 49 5.069 1.324 -10.752 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.619 1.993 -8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.394 0.425 -8.995 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.715 2.113 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.137 0.897 -11.288 1.00 0.00 H new ATOM 396 N VAL A 50 6.634 -1.572 -10.481 1.00 0.00 N ATOM 397 CA VAL A 50 7.058 -2.751 -11.226 1.00 0.00 C ATOM 398 C VAL A 50 6.270 -3.998 -10.827 1.00 0.00 C ATOM 399 O VAL A 50 5.223 -3.909 -10.189 1.00 0.00 O ATOM 400 CB VAL A 50 8.560 -3.014 -11.007 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.378 -1.786 -11.379 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.827 -3.415 -9.564 1.00 0.00 C ATOM 0 H VAL A 50 6.936 -1.561 -9.507 1.00 0.00 H new ATOM 0 HA VAL A 50 6.864 -2.546 -12.279 1.00 0.00 H new ATOM 0 HB VAL A 50 8.862 -3.837 -11.655 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.436 -1.991 -11.218 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.212 -1.542 -12.428 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.073 -0.944 -10.758 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.893 -3.597 -9.428 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.508 -2.613 -8.898 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.271 -4.323 -9.330 1.00 0.00 H new ATOM 412 N GLU A 51 6.791 -5.159 -11.214 1.00 0.00 N ATOM 413 CA GLU A 51 6.158 -6.437 -10.905 1.00 0.00 C ATOM 414 C GLU A 51 6.834 -7.087 -9.703 1.00 0.00 C ATOM 415 O GLU A 51 7.700 -6.479 -9.072 1.00 0.00 O ATOM 416 CB GLU A 51 6.244 -7.369 -12.111 1.00 0.00 C ATOM 417 CG GLU A 51 7.660 -7.542 -12.635 1.00 0.00 C ATOM 418 CD GLU A 51 7.775 -8.661 -13.651 1.00 0.00 C ATOM 419 OE1 GLU A 51 7.909 -9.830 -13.234 1.00 0.00 O ATOM 420 OE2 GLU A 51 7.728 -8.369 -14.864 1.00 0.00 O ATOM 0 H GLU A 51 7.657 -5.240 -11.747 1.00 0.00 H new ATOM 0 HA GLU A 51 5.110 -6.256 -10.666 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.843 -8.345 -11.837 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.613 -6.978 -12.910 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.991 -6.608 -13.090 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.330 -7.745 -11.800 1.00 0.00 H new ATOM 427 N GLU A 52 6.441 -8.320 -9.385 1.00 0.00 N ATOM 428 CA GLU A 52 7.029 -9.025 -8.251 1.00 0.00 C ATOM 429 C GLU A 52 8.437 -9.507 -8.587 1.00 0.00 C ATOM 430 O GLU A 52 8.665 -10.696 -8.815 1.00 0.00 O ATOM 431 CB GLU A 52 6.152 -10.212 -7.842 1.00 0.00 C ATOM 432 CG GLU A 52 4.720 -9.829 -7.506 1.00 0.00 C ATOM 433 CD GLU A 52 3.901 -11.006 -7.013 1.00 0.00 C ATOM 434 OE1 GLU A 52 3.446 -11.807 -7.856 1.00 0.00 O ATOM 435 OE2 GLU A 52 3.715 -11.127 -5.784 1.00 0.00 O ATOM 0 H GLU A 52 5.727 -8.844 -9.890 1.00 0.00 H new ATOM 0 HA GLU A 52 7.089 -8.329 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.143 -10.941 -8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.600 -10.702 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.726 -9.050 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.244 -9.405 -8.390 1.00 0.00 H new ATOM 442 N THR A 53 9.375 -8.567 -8.625 1.00 0.00 N ATOM 443 CA THR A 53 10.770 -8.869 -8.919 1.00 0.00 C ATOM 444 C THR A 53 11.683 -7.992 -8.073 1.00 0.00 C ATOM 445 O THR A 53 12.619 -8.471 -7.432 1.00 0.00 O ATOM 446 CB THR A 53 11.098 -8.650 -10.408 1.00 0.00 C ATOM 447 OG1 THR A 53 10.881 -7.279 -10.761 1.00 0.00 O ATOM 448 CG2 THR A 53 10.242 -9.547 -11.289 1.00 0.00 C ATOM 0 H THR A 53 9.190 -7.579 -8.454 1.00 0.00 H new ATOM 0 HA THR A 53 10.934 -9.920 -8.681 1.00 0.00 H new ATOM 0 HB THR A 53 12.146 -8.905 -10.567 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.093 -7.148 -11.709 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.492 -9.374 -12.336 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.431 -10.591 -11.038 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.189 -9.320 -11.125 1.00 0.00 H new ATOM 456 N ASP A 54 11.391 -6.695 -8.090 1.00 0.00 N ATOM 457 CA ASP A 54 12.154 -5.709 -7.337 1.00 0.00 C ATOM 458 C ASP A 54 12.135 -6.032 -5.840 1.00 0.00 C ATOM 459 O ASP A 54 11.146 -6.557 -5.329 1.00 0.00 O ATOM 460 CB ASP A 54 11.569 -4.317 -7.594 1.00 0.00 C ATOM 461 CG ASP A 54 12.251 -3.228 -6.790 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.246 -2.658 -7.286 1.00 0.00 O ATOM 463 OD2 ASP A 54 11.791 -2.944 -5.665 1.00 0.00 O ATOM 0 H ASP A 54 10.619 -6.299 -8.626 1.00 0.00 H new ATOM 0 HA ASP A 54 13.192 -5.733 -7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.654 -4.084 -8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.506 -4.326 -7.354 1.00 0.00 H new ATOM 468 N PRO A 55 13.233 -5.723 -5.118 1.00 0.00 N ATOM 469 CA PRO A 55 13.341 -5.983 -3.672 1.00 0.00 C ATOM 470 C PRO A 55 12.237 -5.323 -2.843 1.00 0.00 C ATOM 471 O PRO A 55 12.227 -5.445 -1.618 1.00 0.00 O ATOM 472 CB PRO A 55 14.703 -5.391 -3.299 1.00 0.00 C ATOM 473 CG PRO A 55 15.475 -5.382 -4.572 1.00 0.00 C ATOM 474 CD PRO A 55 14.469 -5.118 -5.653 1.00 0.00 C ATOM 0 HA PRO A 55 13.240 -7.048 -3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 55 14.599 -4.385 -2.892 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.201 -5.993 -2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.246 -4.611 -4.557 1.00 0.00 H new ATOM 0 HG3 PRO A 55 15.980 -6.335 -4.731 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.348 -4.051 -5.838 1.00 0.00 H new ATOM 0 HD3 PRO A 55 14.764 -5.574 -6.598 1.00 0.00 H new ATOM 482 N LEU A 56 11.325 -4.611 -3.504 1.00 0.00 N ATOM 483 CA LEU A 56 10.224 -3.936 -2.812 1.00 0.00 C ATOM 484 C LEU A 56 9.602 -4.835 -1.747 1.00 0.00 C ATOM 485 O LEU A 56 9.368 -4.404 -0.619 1.00 0.00 O ATOM 486 CB LEU A 56 9.142 -3.510 -3.809 1.00 0.00 C ATOM 487 CG LEU A 56 9.150 -2.029 -4.204 1.00 0.00 C ATOM 488 CD1 LEU A 56 7.997 -1.731 -5.149 1.00 0.00 C ATOM 489 CD2 LEU A 56 9.064 -1.139 -2.973 1.00 0.00 C ATOM 0 H LEU A 56 11.325 -4.486 -4.516 1.00 0.00 H new ATOM 0 HA LEU A 56 10.639 -3.053 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.250 -4.109 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.167 -3.749 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 56 10.090 -1.817 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.014 -0.676 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.096 -2.340 -6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.053 -1.963 -4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.071 -0.093 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.141 -1.353 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.918 -1.333 -2.323 1.00 0.00 H new ATOM 501 N CYS A 57 9.337 -6.084 -2.114 1.00 0.00 N ATOM 502 CA CYS A 57 8.736 -7.043 -1.192 1.00 0.00 C ATOM 503 C CYS A 57 9.632 -7.283 0.019 1.00 0.00 C ATOM 504 O CYS A 57 9.147 -7.408 1.144 1.00 0.00 O ATOM 505 CB CYS A 57 8.464 -8.366 -1.908 1.00 0.00 C ATOM 506 SG CYS A 57 9.933 -9.132 -2.631 1.00 0.00 S ATOM 0 H CYS A 57 9.529 -6.457 -3.044 1.00 0.00 H new ATOM 0 HA CYS A 57 7.793 -6.623 -0.841 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.015 -9.063 -1.201 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.731 -8.196 -2.697 1.00 0.00 H new ATOM 0 HG CYS A 57 9.600 -10.246 -3.212 1.00 0.00 H new ATOM 512 N GLN A 58 10.938 -7.348 -0.217 1.00 0.00 N ATOM 513 CA GLN A 58 11.900 -7.577 0.856 1.00 0.00 C ATOM 514 C GLN A 58 11.850 -6.453 1.889 1.00 0.00 C ATOM 515 O GLN A 58 11.834 -6.707 3.093 1.00 0.00 O ATOM 516 CB GLN A 58 13.313 -7.700 0.285 1.00 0.00 C ATOM 517 CG GLN A 58 13.479 -8.860 -0.685 1.00 0.00 C ATOM 518 CD GLN A 58 14.880 -8.952 -1.258 1.00 0.00 C ATOM 519 OE1 GLN A 58 15.071 -9.396 -2.391 1.00 0.00 O ATOM 520 NE2 GLN A 58 15.871 -8.538 -0.477 1.00 0.00 N ATOM 0 H GLN A 58 11.355 -7.245 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 58 11.633 -8.510 1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.572 -6.772 -0.224 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.019 -7.821 1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 58 13.239 -9.792 -0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.764 -8.750 -1.501 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.669 -8.177 0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.834 -8.581 -0.809 1.00 0.00 H new ATOM 529 N ARG A 59 11.826 -5.214 1.409 1.00 0.00 N ATOM 530 CA ARG A 59 11.782 -4.050 2.291 1.00 0.00 C ATOM 531 C ARG A 59 10.470 -3.997 3.068 1.00 0.00 C ATOM 532 O ARG A 59 10.468 -3.937 4.298 1.00 0.00 O ATOM 533 CB ARG A 59 11.960 -2.763 1.482 1.00 0.00 C ATOM 534 CG ARG A 59 13.346 -2.605 0.877 1.00 0.00 C ATOM 535 CD ARG A 59 14.404 -2.404 1.950 1.00 0.00 C ATOM 536 NE ARG A 59 15.735 -2.212 1.381 1.00 0.00 N ATOM 537 CZ ARG A 59 16.826 -1.993 2.109 1.00 0.00 C ATOM 538 NH1 ARG A 59 16.744 -1.939 3.432 1.00 0.00 N ATOM 539 NH2 ARG A 59 18.001 -1.827 1.516 1.00 0.00 N ATOM 0 H ARG A 59 11.836 -4.989 0.414 1.00 0.00 H new ATOM 0 HA ARG A 59 12.600 -4.141 3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.220 -2.743 0.682 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.756 -1.908 2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.589 -3.488 0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.352 -1.754 0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.142 -1.538 2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.415 -3.269 2.614 1.00 0.00 H new ATOM 0 HE ARG A 59 15.834 -2.248 0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.843 -2.066 3.893 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.582 -1.771 3.988 1.00 0.00 H new ATOM 0 HH21 ARG A 59 18.069 -1.867 0.499 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.836 -1.659 2.077 1.00 0.00 H new ATOM 553 N LEU A 60 9.359 -4.013 2.339 1.00 0.00 N ATOM 554 CA LEU A 60 8.034 -3.964 2.950 1.00 0.00 C ATOM 555 C LEU A 60 7.857 -5.079 3.978 1.00 0.00 C ATOM 556 O LEU A 60 7.141 -4.916 4.966 1.00 0.00 O ATOM 557 CB LEU A 60 6.953 -4.075 1.872 1.00 0.00 C ATOM 558 CG LEU A 60 6.992 -2.990 0.792 1.00 0.00 C ATOM 559 CD1 LEU A 60 6.074 -3.358 -0.365 1.00 0.00 C ATOM 560 CD2 LEU A 60 6.599 -1.641 1.377 1.00 0.00 C ATOM 0 H LEU A 60 9.349 -4.060 1.320 1.00 0.00 H new ATOM 0 HA LEU A 60 7.936 -3.008 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.043 -5.048 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.977 -4.048 2.356 1.00 0.00 H new ATOM 0 HG LEU A 60 8.011 -2.916 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.114 -2.576 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.398 -4.303 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.052 -3.458 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.632 -0.882 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.589 -1.701 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.294 -1.373 2.173 1.00 0.00 H new ATOM 572 N ARG A 61 8.511 -6.213 3.739 1.00 0.00 N ATOM 573 CA ARG A 61 8.418 -7.355 4.643 1.00 0.00 C ATOM 574 C ARG A 61 9.192 -7.102 5.935 1.00 0.00 C ATOM 575 O ARG A 61 8.716 -7.427 7.023 1.00 0.00 O ATOM 576 CB ARG A 61 8.935 -8.622 3.959 1.00 0.00 C ATOM 577 CG ARG A 61 8.852 -9.862 4.834 1.00 0.00 C ATOM 578 CD ARG A 61 9.190 -11.121 4.052 1.00 0.00 C ATOM 579 NE ARG A 61 8.188 -11.416 3.029 1.00 0.00 N ATOM 580 CZ ARG A 61 8.261 -12.456 2.204 1.00 0.00 C ATOM 581 NH1 ARG A 61 9.292 -13.288 2.272 1.00 0.00 N ATOM 582 NH2 ARG A 61 7.303 -12.664 1.310 1.00 0.00 N ATOM 0 H ARG A 61 9.110 -6.365 2.928 1.00 0.00 H new ATOM 0 HA ARG A 61 7.367 -7.494 4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.363 -8.792 3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.972 -8.467 3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.537 -9.761 5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.848 -9.949 5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.166 -11.004 3.581 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.267 -11.964 4.738 1.00 0.00 H new ATOM 0 HE ARG A 61 7.388 -10.789 2.943 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.030 -13.130 2.958 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.346 -14.085 1.638 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.509 -12.026 1.255 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.360 -13.462 0.678 1.00 0.00 H new ATOM 596 N GLU A 62 10.385 -6.526 5.811 1.00 0.00 N ATOM 597 CA GLU A 62 11.215 -6.232 6.976 1.00 0.00 C ATOM 598 C GLU A 62 10.445 -5.392 7.986 1.00 0.00 C ATOM 599 O GLU A 62 10.408 -5.713 9.175 1.00 0.00 O ATOM 600 CB GLU A 62 12.493 -5.506 6.554 1.00 0.00 C ATOM 601 CG GLU A 62 13.482 -6.393 5.816 1.00 0.00 C ATOM 602 CD GLU A 62 14.721 -5.641 5.371 1.00 0.00 C ATOM 603 OE1 GLU A 62 15.658 -5.506 6.186 1.00 0.00 O ATOM 604 OE2 GLU A 62 14.754 -5.188 4.208 1.00 0.00 O ATOM 0 H GLU A 62 10.798 -6.254 4.919 1.00 0.00 H new ATOM 0 HA GLU A 62 11.488 -7.177 7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.228 -4.663 5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.977 -5.096 7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.776 -7.219 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.993 -6.829 4.944 1.00 0.00 H new ATOM 611 N ASN A 63 9.833 -4.316 7.508 1.00 0.00 N ATOM 612 CA ASN A 63 9.053 -3.439 8.371 1.00 0.00 C ATOM 613 C ASN A 63 7.602 -3.899 8.424 1.00 0.00 C ATOM 614 O ASN A 63 6.782 -3.492 7.601 1.00 0.00 O ATOM 615 CB ASN A 63 9.127 -1.991 7.880 1.00 0.00 C ATOM 616 CG ASN A 63 10.536 -1.434 7.931 1.00 0.00 C ATOM 617 OD1 ASN A 63 10.947 -0.848 8.932 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.282 -1.614 6.849 1.00 0.00 N ATOM 0 H ASN A 63 9.862 -4.030 6.529 1.00 0.00 H new ATOM 0 HA ASN A 63 9.475 -3.487 9.375 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.755 -1.938 6.857 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.471 -1.370 8.490 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.238 -1.260 6.824 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.899 -2.106 6.042 1.00 0.00 H new ATOM 625 N ASP A 64 7.299 -4.769 9.383 1.00 0.00 N ATOM 626 CA ASP A 64 5.945 -5.286 9.550 1.00 0.00 C ATOM 627 C ASP A 64 4.939 -4.148 9.697 1.00 0.00 C ATOM 628 O ASP A 64 4.830 -3.535 10.759 1.00 0.00 O ATOM 629 CB ASP A 64 5.876 -6.205 10.773 1.00 0.00 C ATOM 630 CG ASP A 64 6.777 -7.417 10.638 1.00 0.00 C ATOM 631 OD1 ASP A 64 7.979 -7.301 10.955 1.00 0.00 O ATOM 632 OD2 ASP A 64 6.279 -8.482 10.217 1.00 0.00 O ATOM 0 H ASP A 64 7.974 -5.131 10.057 1.00 0.00 H new ATOM 0 HA ASP A 64 5.689 -5.858 8.658 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.159 -5.643 11.663 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.847 -6.535 10.918 1.00 0.00 H new ATOM 637 N ILE A 65 4.211 -3.867 8.619 1.00 0.00 N ATOM 638 CA ILE A 65 3.212 -2.804 8.625 1.00 0.00 C ATOM 639 C ILE A 65 1.855 -3.324 8.159 1.00 0.00 C ATOM 640 O ILE A 65 1.685 -3.688 6.995 1.00 0.00 O ATOM 641 CB ILE A 65 3.634 -1.624 7.721 1.00 0.00 C ATOM 642 CG1 ILE A 65 4.946 -1.004 8.218 1.00 0.00 C ATOM 643 CG2 ILE A 65 2.533 -0.573 7.665 1.00 0.00 C ATOM 644 CD1 ILE A 65 4.862 -0.414 9.610 1.00 0.00 C ATOM 0 H ILE A 65 4.295 -4.361 7.731 1.00 0.00 H new ATOM 0 HA ILE A 65 3.133 -2.452 9.654 1.00 0.00 H new ATOM 0 HB ILE A 65 3.796 -2.006 6.713 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.724 -1.767 8.205 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.253 -0.223 7.522 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.848 0.250 7.024 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.624 -1.019 7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.338 -0.197 8.669 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.830 0.004 9.887 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.109 0.374 9.627 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.587 -1.194 10.320 1.00 0.00 H new ATOM 656 N VAL A 66 0.893 -3.357 9.076 1.00 0.00 N ATOM 657 CA VAL A 66 -0.452 -3.824 8.759 1.00 0.00 C ATOM 658 C VAL A 66 -1.169 -2.816 7.863 1.00 0.00 C ATOM 659 O VAL A 66 -0.736 -1.670 7.736 1.00 0.00 O ATOM 660 CB VAL A 66 -1.274 -4.061 10.045 1.00 0.00 C ATOM 661 CG1 VAL A 66 -1.506 -2.753 10.783 1.00 0.00 C ATOM 662 CG2 VAL A 66 -2.597 -4.747 9.735 1.00 0.00 C ATOM 0 H VAL A 66 1.020 -3.066 10.045 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.361 -4.772 8.228 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.699 -4.723 10.692 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.087 -2.943 11.686 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.546 -2.313 11.055 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.052 -2.064 10.139 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.153 -4.900 10.660 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.181 -4.122 9.060 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.405 -5.711 9.263 1.00 0.00 H new ATOM 672 N GLY A 67 -2.260 -3.249 7.239 1.00 0.00 N ATOM 673 CA GLY A 67 -3.011 -2.369 6.361 1.00 0.00 C ATOM 674 C GLY A 67 -3.520 -1.125 7.067 1.00 0.00 C ATOM 675 O GLY A 67 -3.696 -0.079 6.442 1.00 0.00 O ATOM 0 H GLY A 67 -2.638 -4.193 7.325 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.379 -2.073 5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.857 -2.916 5.944 1.00 0.00 H new ATOM 679 N ASP A 68 -3.756 -1.238 8.370 1.00 0.00 N ATOM 680 CA ASP A 68 -4.256 -0.115 9.160 1.00 0.00 C ATOM 681 C ASP A 68 -3.145 0.882 9.478 1.00 0.00 C ATOM 682 O ASP A 68 -3.413 2.006 9.902 1.00 0.00 O ATOM 683 CB ASP A 68 -4.878 -0.623 10.462 1.00 0.00 C ATOM 684 CG ASP A 68 -5.572 0.480 11.238 1.00 0.00 C ATOM 685 OD1 ASP A 68 -6.751 0.765 10.940 1.00 0.00 O ATOM 686 OD2 ASP A 68 -4.936 1.060 12.144 1.00 0.00 O ATOM 0 H ASP A 68 -3.609 -2.095 8.903 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.014 0.396 8.567 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.596 -1.412 10.236 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.101 -1.068 11.084 1.00 0.00 H new ATOM 691 N LEU A 69 -1.900 0.466 9.271 1.00 0.00 N ATOM 692 CA LEU A 69 -0.752 1.322 9.551 1.00 0.00 C ATOM 693 C LEU A 69 -0.110 1.841 8.268 1.00 0.00 C ATOM 694 O LEU A 69 0.946 2.472 8.309 1.00 0.00 O ATOM 695 CB LEU A 69 0.283 0.557 10.380 1.00 0.00 C ATOM 696 CG LEU A 69 0.131 0.678 11.901 1.00 0.00 C ATOM 697 CD1 LEU A 69 -1.315 0.458 12.326 1.00 0.00 C ATOM 698 CD2 LEU A 69 1.044 -0.315 12.602 1.00 0.00 C ATOM 0 H LEU A 69 -1.660 -0.458 8.911 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.109 2.182 10.117 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.231 -0.498 10.110 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.277 0.909 10.103 1.00 0.00 H new ATOM 0 HG LEU A 69 0.419 1.688 12.191 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.394 0.549 13.409 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.951 1.205 11.852 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.636 -0.538 12.022 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.926 -0.218 13.681 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.782 -1.328 12.298 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.080 -0.111 12.330 1.00 0.00 H new ATOM 710 N LEU A 70 -0.749 1.580 7.132 1.00 0.00 N ATOM 711 CA LEU A 70 -0.223 2.036 5.850 1.00 0.00 C ATOM 712 C LEU A 70 -0.268 3.563 5.742 1.00 0.00 C ATOM 713 O LEU A 70 0.738 4.186 5.399 1.00 0.00 O ATOM 714 CB LEU A 70 -0.989 1.397 4.685 1.00 0.00 C ATOM 715 CG LEU A 70 -0.831 -0.120 4.549 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.577 -0.625 3.322 1.00 0.00 C ATOM 717 CD2 LEU A 70 0.640 -0.506 4.472 1.00 0.00 C ATOM 0 H LEU A 70 -1.624 1.060 7.072 1.00 0.00 H new ATOM 0 HA LEU A 70 0.819 1.722 5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.048 1.626 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.661 1.864 3.757 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.261 -0.588 5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.454 -1.705 3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.636 -0.386 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.175 -0.146 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.728 -1.588 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.097 -0.027 3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.150 -0.180 5.379 1.00 0.00 H new ATOM 729 N PRO A 71 -1.426 4.198 6.028 1.00 0.00 N ATOM 730 CA PRO A 71 -1.556 5.654 5.953 1.00 0.00 C ATOM 731 C PRO A 71 -1.014 6.350 7.198 1.00 0.00 C ATOM 732 O PRO A 71 -0.997 7.578 7.278 1.00 0.00 O ATOM 733 CB PRO A 71 -3.064 5.853 5.846 1.00 0.00 C ATOM 734 CG PRO A 71 -3.639 4.724 6.629 1.00 0.00 C ATOM 735 CD PRO A 71 -2.698 3.561 6.440 1.00 0.00 C ATOM 0 HA PRO A 71 -0.989 6.078 5.124 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.368 6.817 6.255 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.396 5.828 4.808 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.727 4.986 7.683 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.640 4.476 6.277 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.579 2.989 7.360 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.064 2.870 5.680 1.00 0.00 H new ATOM 743 N GLU A 72 -0.570 5.555 8.168 1.00 0.00 N ATOM 744 CA GLU A 72 -0.028 6.091 9.410 1.00 0.00 C ATOM 745 C GLU A 72 1.437 6.480 9.241 1.00 0.00 C ATOM 746 O GLU A 72 1.924 7.406 9.890 1.00 0.00 O ATOM 747 CB GLU A 72 -0.171 5.064 10.536 1.00 0.00 C ATOM 748 CG GLU A 72 0.283 5.578 11.893 1.00 0.00 C ATOM 749 CD GLU A 72 -0.555 6.741 12.386 1.00 0.00 C ATOM 750 OE1 GLU A 72 -1.569 6.493 13.072 1.00 0.00 O ATOM 751 OE2 GLU A 72 -0.197 7.900 12.086 1.00 0.00 O ATOM 0 H GLU A 72 -0.576 4.536 8.116 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.593 6.986 9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.214 4.756 10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.408 4.176 10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.235 4.767 12.619 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.326 5.888 11.830 1.00 0.00 H new ATOM 758 N LEU A 73 2.134 5.767 8.361 1.00 0.00 N ATOM 759 CA LEU A 73 3.545 6.036 8.103 1.00 0.00 C ATOM 760 C LEU A 73 3.730 7.406 7.457 1.00 0.00 C ATOM 761 O LEU A 73 2.761 8.123 7.211 1.00 0.00 O ATOM 762 CB LEU A 73 4.137 4.950 7.203 1.00 0.00 C ATOM 763 CG LEU A 73 4.033 3.523 7.748 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.525 2.522 6.715 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.823 3.387 9.042 1.00 0.00 C ATOM 0 H LEU A 73 1.745 4.999 7.815 1.00 0.00 H new ATOM 0 HA LEU A 73 4.070 6.032 9.058 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.636 4.990 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.188 5.179 7.028 1.00 0.00 H new ATOM 0 HG LEU A 73 2.985 3.311 7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.444 1.513 7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.918 2.602 5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.566 2.733 6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.738 2.366 9.415 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.872 3.618 8.854 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.426 4.079 9.785 1.00 0.00 H new ATOM 777 N CYS A 74 4.983 7.760 7.187 1.00 0.00 N ATOM 778 CA CYS A 74 5.299 9.043 6.570 1.00 0.00 C ATOM 779 C CYS A 74 6.147 8.847 5.317 1.00 0.00 C ATOM 780 O CYS A 74 6.647 7.750 5.063 1.00 0.00 O ATOM 781 CB CYS A 74 6.035 9.942 7.566 1.00 0.00 C ATOM 782 SG CYS A 74 6.305 11.632 6.982 1.00 0.00 S ATOM 0 H CYS A 74 5.795 7.176 7.386 1.00 0.00 H new ATOM 0 HA CYS A 74 4.364 9.523 6.282 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.466 9.977 8.495 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.000 9.492 7.800 1.00 0.00 H new ATOM 0 HG CYS A 74 6.932 12.312 7.896 1.00 0.00 H new ATOM 788 N LEU A 75 6.305 9.914 4.539 1.00 0.00 N ATOM 789 CA LEU A 75 7.090 9.857 3.311 1.00 0.00 C ATOM 790 C LEU A 75 8.523 9.415 3.596 1.00 0.00 C ATOM 791 O LEU A 75 9.208 8.897 2.713 1.00 0.00 O ATOM 792 CB LEU A 75 7.092 11.221 2.611 1.00 0.00 C ATOM 793 CG LEU A 75 5.803 11.582 1.861 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.507 10.558 0.774 1.00 0.00 C ATOM 795 CD2 LEU A 75 4.630 11.693 2.825 1.00 0.00 C ATOM 0 H LEU A 75 5.899 10.829 4.738 1.00 0.00 H new ATOM 0 HA LEU A 75 6.628 9.121 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.285 11.992 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.922 11.246 1.904 1.00 0.00 H new ATOM 0 HG LEU A 75 5.948 12.553 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.589 10.833 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.333 10.533 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.387 9.573 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.727 11.950 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.485 10.740 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.837 12.469 3.562 1.00 0.00 H new ATOM 807 N GLN A 76 8.973 9.623 4.830 1.00 0.00 N ATOM 808 CA GLN A 76 10.324 9.238 5.224 1.00 0.00 C ATOM 809 C GLN A 76 10.418 7.728 5.418 1.00 0.00 C ATOM 810 O GLN A 76 11.357 7.089 4.945 1.00 0.00 O ATOM 811 CB GLN A 76 10.732 9.956 6.513 1.00 0.00 C ATOM 812 CG GLN A 76 10.810 11.468 6.374 1.00 0.00 C ATOM 813 CD GLN A 76 11.816 11.913 5.327 1.00 0.00 C ATOM 814 OE1 GLN A 76 11.642 12.950 4.687 1.00 0.00 O ATOM 815 NE2 GLN A 76 12.877 11.132 5.150 1.00 0.00 N ATOM 0 H GLN A 76 8.423 10.055 5.573 1.00 0.00 H new ATOM 0 HA GLN A 76 11.006 9.531 4.426 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.017 9.709 7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.703 9.579 6.836 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.825 11.855 6.112 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.078 11.903 7.337 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.982 10.281 5.702 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.587 11.384 4.462 1.00 0.00 H new ATOM 824 N ASP A 77 9.435 7.164 6.114 1.00 0.00 N ATOM 825 CA ASP A 77 9.402 5.729 6.370 1.00 0.00 C ATOM 826 C ASP A 77 9.242 4.953 5.067 1.00 0.00 C ATOM 827 O ASP A 77 9.682 3.809 4.956 1.00 0.00 O ATOM 828 CB ASP A 77 8.256 5.384 7.323 1.00 0.00 C ATOM 829 CG ASP A 77 8.409 6.049 8.677 1.00 0.00 C ATOM 830 OD1 ASP A 77 9.064 5.456 9.560 1.00 0.00 O ATOM 831 OD2 ASP A 77 7.873 7.163 8.854 1.00 0.00 O ATOM 0 H ASP A 77 8.650 7.680 6.511 1.00 0.00 H new ATOM 0 HA ASP A 77 10.347 5.445 6.833 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.311 5.691 6.876 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.210 4.303 7.455 1.00 0.00 H new ATOM 836 N CYS A 78 8.610 5.586 4.086 1.00 0.00 N ATOM 837 CA CYS A 78 8.390 4.963 2.787 1.00 0.00 C ATOM 838 C CYS A 78 9.620 5.117 1.900 1.00 0.00 C ATOM 839 O CYS A 78 9.947 4.228 1.115 1.00 0.00 O ATOM 840 CB CYS A 78 7.173 5.589 2.105 1.00 0.00 C ATOM 841 SG CYS A 78 5.658 5.525 3.092 1.00 0.00 S ATOM 0 H CYS A 78 8.240 6.533 4.166 1.00 0.00 H new ATOM 0 HA CYS A 78 8.206 3.900 2.942 1.00 0.00 H new ATOM 0 HB2 CYS A 78 7.397 6.630 1.870 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.998 5.079 1.158 1.00 0.00 H new ATOM 0 HG CYS A 78 4.800 4.734 2.519 1.00 0.00 H new ATOM 847 N GLN A 79 10.297 6.255 2.032 1.00 0.00 N ATOM 848 CA GLN A 79 11.492 6.530 1.246 1.00 0.00 C ATOM 849 C GLN A 79 12.577 5.504 1.553 1.00 0.00 C ATOM 850 O GLN A 79 13.296 5.058 0.659 1.00 0.00 O ATOM 851 CB GLN A 79 12.002 7.944 1.532 1.00 0.00 C ATOM 852 CG GLN A 79 12.898 8.501 0.439 1.00 0.00 C ATOM 853 CD GLN A 79 13.357 9.917 0.731 1.00 0.00 C ATOM 854 OE1 GLN A 79 13.527 10.300 1.889 1.00 0.00 O ATOM 855 NE2 GLN A 79 13.558 10.704 -0.320 1.00 0.00 N ATOM 0 H GLN A 79 10.036 7.001 2.677 1.00 0.00 H new ATOM 0 HA GLN A 79 11.236 6.459 0.189 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.149 8.609 1.664 1.00 0.00 H new ATOM 0 HB3 GLN A 79 12.552 7.939 2.473 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.769 7.856 0.324 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.362 8.484 -0.510 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.405 10.345 -1.262 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.865 11.667 -0.185 1.00 0.00 H new ATOM 864 N ASP A 80 12.688 5.136 2.826 1.00 0.00 N ATOM 865 CA ASP A 80 13.674 4.153 3.257 1.00 0.00 C ATOM 866 C ASP A 80 13.339 2.785 2.676 1.00 0.00 C ATOM 867 O ASP A 80 14.221 1.954 2.455 1.00 0.00 O ATOM 868 CB ASP A 80 13.712 4.073 4.784 1.00 0.00 C ATOM 869 CG ASP A 80 14.694 3.032 5.284 1.00 0.00 C ATOM 870 OD1 ASP A 80 15.888 3.364 5.431 1.00 0.00 O ATOM 871 OD2 ASP A 80 14.268 1.882 5.528 1.00 0.00 O ATOM 0 H ASP A 80 12.106 5.505 3.578 1.00 0.00 H new ATOM 0 HA ASP A 80 14.654 4.463 2.896 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.982 5.048 5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.715 3.838 5.158 1.00 0.00 H new ATOM 876 N LEU A 81 12.053 2.567 2.432 1.00 0.00 N ATOM 877 CA LEU A 81 11.574 1.309 1.876 1.00 0.00 C ATOM 878 C LEU A 81 11.767 1.271 0.364 1.00 0.00 C ATOM 879 O LEU A 81 11.661 0.213 -0.258 1.00 0.00 O ATOM 880 CB LEU A 81 10.097 1.118 2.229 1.00 0.00 C ATOM 881 CG LEU A 81 9.823 0.345 3.525 1.00 0.00 C ATOM 882 CD1 LEU A 81 10.765 0.788 4.637 1.00 0.00 C ATOM 883 CD2 LEU A 81 8.377 0.533 3.954 1.00 0.00 C ATOM 0 H LEU A 81 11.318 3.251 2.612 1.00 0.00 H new ATOM 0 HA LEU A 81 12.155 0.495 2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.630 2.100 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.609 0.597 1.405 1.00 0.00 H new ATOM 0 HG LEU A 81 10.001 -0.713 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.548 0.224 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.796 0.606 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.626 1.852 4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.196 -0.021 4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.182 1.592 4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.714 0.163 3.172 1.00 0.00 H new ATOM 895 N CYS A 82 12.050 2.431 -0.220 1.00 0.00 N ATOM 896 CA CYS A 82 12.262 2.529 -1.659 1.00 0.00 C ATOM 897 C CYS A 82 13.747 2.666 -1.982 1.00 0.00 C ATOM 898 O CYS A 82 14.588 2.677 -1.082 1.00 0.00 O ATOM 899 CB CYS A 82 11.492 3.722 -2.230 1.00 0.00 C ATOM 900 SG CYS A 82 9.698 3.607 -2.033 1.00 0.00 S ATOM 0 H CYS A 82 12.138 3.315 0.281 1.00 0.00 H new ATOM 0 HA CYS A 82 11.891 1.613 -2.119 1.00 0.00 H new ATOM 0 HB2 CYS A 82 11.842 4.633 -1.744 1.00 0.00 H new ATOM 0 HB3 CYS A 82 11.725 3.817 -3.291 1.00 0.00 H new ATOM 0 HG CYS A 82 9.380 3.857 -0.797 1.00 0.00 H new ATOM 906 N ASP A 83 14.063 2.769 -3.268 1.00 0.00 N ATOM 907 CA ASP A 83 15.448 2.904 -3.708 1.00 0.00 C ATOM 908 C ASP A 83 16.001 4.279 -3.355 1.00 0.00 C ATOM 909 O ASP A 83 17.208 4.513 -3.438 1.00 0.00 O ATOM 910 CB ASP A 83 15.550 2.670 -5.216 1.00 0.00 C ATOM 911 CG ASP A 83 14.757 3.687 -6.014 1.00 0.00 C ATOM 912 OD1 ASP A 83 13.555 3.446 -6.254 1.00 0.00 O ATOM 913 OD2 ASP A 83 15.338 4.723 -6.400 1.00 0.00 O ATOM 0 H ASP A 83 13.379 2.762 -4.025 1.00 0.00 H new ATOM 0 HA ASP A 83 16.043 2.152 -3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.597 2.712 -5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.191 1.668 -5.451 1.00 0.00 H new ATOM 918 N GLY A 84 15.113 5.188 -2.960 1.00 0.00 N ATOM 919 CA GLY A 84 15.535 6.530 -2.598 1.00 0.00 C ATOM 920 C GLY A 84 14.792 7.602 -3.372 1.00 0.00 C ATOM 921 O GLY A 84 14.828 8.777 -3.005 1.00 0.00 O ATOM 0 H GLY A 84 14.110 5.019 -2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.376 6.682 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.605 6.632 -2.779 1.00 0.00 H new ATOM 925 N ASP A 85 14.118 7.199 -4.444 1.00 0.00 N ATOM 926 CA ASP A 85 13.364 8.135 -5.271 1.00 0.00 C ATOM 927 C ASP A 85 12.164 8.687 -4.508 1.00 0.00 C ATOM 928 O ASP A 85 11.334 7.929 -4.006 1.00 0.00 O ATOM 929 CB ASP A 85 12.897 7.448 -6.556 1.00 0.00 C ATOM 930 CG ASP A 85 12.223 8.410 -7.515 1.00 0.00 C ATOM 931 OD1 ASP A 85 12.944 9.107 -8.260 1.00 0.00 O ATOM 932 OD2 ASP A 85 10.976 8.466 -7.522 1.00 0.00 O ATOM 0 H ASP A 85 14.078 6.230 -4.761 1.00 0.00 H new ATOM 0 HA ASP A 85 14.020 8.966 -5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.753 6.987 -7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.204 6.645 -6.304 1.00 0.00 H new ATOM 937 N LEU A 86 12.078 10.012 -4.424 1.00 0.00 N ATOM 938 CA LEU A 86 10.980 10.666 -3.720 1.00 0.00 C ATOM 939 C LEU A 86 9.650 10.411 -4.420 1.00 0.00 C ATOM 940 O LEU A 86 8.669 10.028 -3.783 1.00 0.00 O ATOM 941 CB LEU A 86 11.235 12.172 -3.616 1.00 0.00 C ATOM 942 CG LEU A 86 10.122 12.977 -2.940 1.00 0.00 C ATOM 943 CD1 LEU A 86 9.935 12.532 -1.497 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.431 14.464 -3.003 1.00 0.00 C ATOM 0 H LEU A 86 12.756 10.654 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 86 10.926 10.243 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.162 12.330 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.390 12.568 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 86 9.191 12.793 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.139 13.117 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.668 11.475 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.863 12.684 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.630 15.023 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.373 14.662 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.511 14.775 -4.045 1.00 0.00 H new ATOM 956 N ASN A 87 9.624 10.627 -5.733 1.00 0.00 N ATOM 957 CA ASN A 87 8.414 10.418 -6.522 1.00 0.00 C ATOM 958 C ASN A 87 7.836 9.029 -6.279 1.00 0.00 C ATOM 959 O ASN A 87 6.622 8.830 -6.341 1.00 0.00 O ATOM 960 CB ASN A 87 8.710 10.604 -8.010 1.00 0.00 C ATOM 961 CG ASN A 87 8.784 12.066 -8.409 1.00 0.00 C ATOM 962 OD1 ASN A 87 8.118 12.916 -7.820 1.00 0.00 O ATOM 963 ND2 ASN A 87 9.598 12.365 -9.415 1.00 0.00 N ATOM 0 H ASN A 87 10.428 10.947 -6.273 1.00 0.00 H new ATOM 0 HA ASN A 87 7.678 11.158 -6.209 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.654 10.116 -8.253 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.935 10.109 -8.596 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.689 13.332 -9.727 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.132 11.628 -9.875 1.00 0.00 H new ATOM 970 N LYS A 88 8.714 8.073 -6.005 1.00 0.00 N ATOM 971 CA LYS A 88 8.300 6.701 -5.749 1.00 0.00 C ATOM 972 C LYS A 88 7.460 6.623 -4.476 1.00 0.00 C ATOM 973 O LYS A 88 6.383 6.026 -4.462 1.00 0.00 O ATOM 974 CB LYS A 88 9.528 5.801 -5.621 1.00 0.00 C ATOM 975 CG LYS A 88 9.213 4.315 -5.669 1.00 0.00 C ATOM 976 CD LYS A 88 8.976 3.842 -7.095 1.00 0.00 C ATOM 977 CE LYS A 88 9.074 2.329 -7.203 1.00 0.00 C ATOM 978 NZ LYS A 88 10.338 1.812 -6.610 1.00 0.00 N ATOM 0 H LYS A 88 9.721 8.224 -5.954 1.00 0.00 H new ATOM 0 HA LYS A 88 7.692 6.359 -6.587 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.226 6.040 -6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.033 6.025 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.037 3.753 -5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.330 4.109 -5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.991 4.169 -7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.707 4.303 -7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.223 1.873 -6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.018 2.035 -8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.661 0.984 -7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.066 2.554 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.170 1.537 -5.621 1.00 0.00 H new ATOM 992 N ALA A 89 7.964 7.236 -3.407 1.00 0.00 N ATOM 993 CA ALA A 89 7.267 7.240 -2.127 1.00 0.00 C ATOM 994 C ALA A 89 5.948 8.001 -2.222 1.00 0.00 C ATOM 995 O ALA A 89 4.981 7.672 -1.535 1.00 0.00 O ATOM 996 CB ALA A 89 8.152 7.841 -1.045 1.00 0.00 C ATOM 0 H ALA A 89 8.853 7.736 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 89 7.041 6.207 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.618 7.837 -0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.064 7.251 -0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.409 8.866 -1.313 1.00 0.00 H new ATOM 1002 N ILE A 90 5.917 9.019 -3.076 1.00 0.00 N ATOM 1003 CA ILE A 90 4.714 9.822 -3.262 1.00 0.00 C ATOM 1004 C ILE A 90 3.571 8.965 -3.794 1.00 0.00 C ATOM 1005 O ILE A 90 2.496 8.907 -3.197 1.00 0.00 O ATOM 1006 CB ILE A 90 4.964 10.998 -4.229 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.038 11.929 -3.662 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.670 11.762 -4.484 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.435 13.047 -4.603 1.00 0.00 C ATOM 0 H ILE A 90 6.710 9.307 -3.649 1.00 0.00 H new ATOM 0 HA ILE A 90 4.441 10.225 -2.287 1.00 0.00 H new ATOM 0 HB ILE A 90 5.318 10.600 -5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.675 12.362 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.923 11.341 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.864 12.588 -5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.932 11.091 -4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.287 12.154 -3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.200 13.665 -4.132 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.829 12.623 -5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.562 13.660 -4.829 1.00 0.00 H new ATOM 1021 N LYS A 91 3.811 8.301 -4.922 1.00 0.00 N ATOM 1022 CA LYS A 91 2.805 7.439 -5.533 1.00 0.00 C ATOM 1023 C LYS A 91 2.345 6.368 -4.551 1.00 0.00 C ATOM 1024 O LYS A 91 1.181 5.966 -4.552 1.00 0.00 O ATOM 1025 CB LYS A 91 3.365 6.782 -6.797 1.00 0.00 C ATOM 1026 CG LYS A 91 3.671 7.766 -7.917 1.00 0.00 C ATOM 1027 CD LYS A 91 2.404 8.398 -8.477 1.00 0.00 C ATOM 1028 CE LYS A 91 1.526 7.372 -9.176 1.00 0.00 C ATOM 1029 NZ LYS A 91 2.244 6.685 -10.285 1.00 0.00 N ATOM 0 H LYS A 91 4.694 8.344 -5.431 1.00 0.00 H new ATOM 0 HA LYS A 91 1.947 8.055 -5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.277 6.242 -6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.649 6.044 -7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.332 8.548 -7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.205 7.252 -8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.843 8.867 -7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.671 9.188 -9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.186 6.632 -8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.637 7.864 -9.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.557 6.191 -10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.761 7.387 -10.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.916 5.996 -9.890 1.00 0.00 H new ATOM 1043 N PHE A 92 3.270 5.909 -3.713 1.00 0.00 N ATOM 1044 CA PHE A 92 2.969 4.887 -2.718 1.00 0.00 C ATOM 1045 C PHE A 92 1.894 5.376 -1.748 1.00 0.00 C ATOM 1046 O PHE A 92 0.816 4.787 -1.649 1.00 0.00 O ATOM 1047 CB PHE A 92 4.247 4.515 -1.957 1.00 0.00 C ATOM 1048 CG PHE A 92 4.060 3.468 -0.894 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.481 2.244 -1.192 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.481 3.705 0.405 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.324 1.278 -0.214 1.00 0.00 C ATOM 1052 CE2 PHE A 92 4.324 2.745 1.387 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.746 1.530 1.077 1.00 0.00 C ATOM 0 H PHE A 92 4.238 6.231 -3.704 1.00 0.00 H new ATOM 0 HA PHE A 92 2.587 4.003 -3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.989 4.160 -2.672 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.654 5.414 -1.495 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.149 2.042 -2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.938 4.652 0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.872 0.328 -0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.653 2.945 2.396 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.624 0.778 1.842 1.00 0.00 H new ATOM 1063 N LYS A 93 2.192 6.464 -1.044 1.00 0.00 N ATOM 1064 CA LYS A 93 1.257 7.039 -0.082 1.00 0.00 C ATOM 1065 C LYS A 93 -0.045 7.455 -0.761 1.00 0.00 C ATOM 1066 O LYS A 93 -1.101 7.482 -0.131 1.00 0.00 O ATOM 1067 CB LYS A 93 1.893 8.242 0.617 1.00 0.00 C ATOM 1068 CG LYS A 93 1.006 8.874 1.680 1.00 0.00 C ATOM 1069 CD LYS A 93 0.770 7.931 2.848 1.00 0.00 C ATOM 1070 CE LYS A 93 -0.084 8.581 3.925 1.00 0.00 C ATOM 1071 NZ LYS A 93 -1.432 8.954 3.416 1.00 0.00 N ATOM 0 H LYS A 93 3.076 6.966 -1.122 1.00 0.00 H new ATOM 0 HA LYS A 93 1.024 6.276 0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.830 7.929 1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.141 8.995 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.469 9.792 2.041 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.049 9.152 1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.281 7.024 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.727 7.630 3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.191 7.896 4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.421 9.471 4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.048 9.203 4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.348 9.770 2.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.843 8.150 2.900 1.00 0.00 H new ATOM 1085 N ILE A 94 0.038 7.783 -2.048 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.139 8.193 -2.806 1.00 0.00 C ATOM 1087 C ILE A 94 -2.114 7.034 -2.974 1.00 0.00 C ATOM 1088 O ILE A 94 -3.234 7.077 -2.465 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.757 8.734 -4.199 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.214 10.161 -4.084 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -1.959 8.688 -5.135 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.362 10.700 -5.375 1.00 0.00 C ATOM 0 H ILE A 94 0.905 7.773 -2.585 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.617 8.990 -2.236 1.00 0.00 H new ATOM 0 HB ILE A 94 0.026 8.101 -4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.016 10.820 -3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.558 10.185 -3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.673 9.073 -6.114 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.302 7.658 -5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.763 9.300 -4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.726 11.715 -5.215 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.187 10.065 -5.699 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.412 10.709 -6.143 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.684 6.010 -3.706 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.514 4.837 -3.951 1.00 0.00 C ATOM 1106 C LEU A 95 -3.163 4.360 -2.660 1.00 0.00 C ATOM 1107 O LEU A 95 -4.300 3.887 -2.660 1.00 0.00 O ATOM 1108 CB LEU A 95 -1.669 3.717 -4.562 1.00 0.00 C ATOM 1109 CG LEU A 95 -0.979 4.075 -5.878 1.00 0.00 C ATOM 1110 CD1 LEU A 95 0.077 3.038 -6.225 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -1.998 4.194 -7.001 1.00 0.00 C ATOM 0 H LEU A 95 -0.762 5.970 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.303 5.110 -4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.909 3.420 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.308 2.849 -4.728 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.488 5.040 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.558 3.309 -7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.824 3.001 -5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.393 2.060 -6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.488 4.449 -7.930 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.518 3.244 -7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.719 4.974 -6.757 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.435 4.497 -1.557 1.00 0.00 N ATOM 1124 CA ILE A 96 -2.941 4.086 -0.258 1.00 0.00 C ATOM 1125 C ILE A 96 -3.979 5.073 0.266 1.00 0.00 C ATOM 1126 O ILE A 96 -4.984 4.675 0.855 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.800 3.954 0.769 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.742 2.978 0.257 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.345 3.497 2.116 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.568 3.057 1.010 1.00 0.00 C ATOM 0 H ILE A 96 -1.494 4.889 -1.539 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.412 3.112 -0.392 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.335 4.931 0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.132 1.962 0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.557 3.176 -0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.525 3.409 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.068 4.226 2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.832 2.529 2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.272 2.337 0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.980 4.062 0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.397 2.830 2.062 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.727 6.361 0.051 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.643 7.402 0.497 1.00 0.00 C ATOM 1144 C ASN A 97 -6.011 7.225 -0.152 1.00 0.00 C ATOM 1145 O ASN A 97 -7.034 7.191 0.531 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.081 8.786 0.166 1.00 0.00 C ATOM 1147 CG ASN A 97 -4.950 9.906 0.704 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -5.879 10.361 0.036 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -4.650 10.359 1.915 1.00 0.00 N ATOM 0 H ASN A 97 -2.896 6.707 -0.429 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.756 7.318 1.578 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.077 8.877 0.582 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.989 8.889 -0.915 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.198 11.114 2.327 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.871 9.952 2.433 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.019 7.114 -1.476 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.259 6.935 -2.222 1.00 0.00 C ATOM 1158 C LYS A 98 -7.935 5.620 -1.844 1.00 0.00 C ATOM 1159 O LYS A 98 -9.161 5.519 -1.840 1.00 0.00 O ATOM 1160 CB LYS A 98 -6.982 6.965 -3.727 1.00 0.00 C ATOM 1161 CG LYS A 98 -6.286 8.233 -4.196 1.00 0.00 C ATOM 1162 CD LYS A 98 -7.161 9.460 -3.993 1.00 0.00 C ATOM 1163 CE LYS A 98 -6.479 10.721 -4.500 1.00 0.00 C ATOM 1164 NZ LYS A 98 -7.349 11.920 -4.351 1.00 0.00 N ATOM 0 H LYS A 98 -5.180 7.145 -2.055 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.930 7.755 -1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.367 6.105 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.925 6.859 -4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.351 8.358 -3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.030 8.139 -5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.108 9.323 -4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.393 9.571 -2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.549 10.876 -3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.213 10.593 -5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.848 12.759 -4.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.225 11.783 -4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.582 12.057 -3.347 1.00 0.00 H new ATOM 1178 N MET A 99 -7.124 4.613 -1.526 1.00 0.00 N ATOM 1179 CA MET A 99 -7.640 3.304 -1.142 1.00 0.00 C ATOM 1180 C MET A 99 -8.482 3.405 0.127 1.00 0.00 C ATOM 1181 O MET A 99 -9.545 2.792 0.227 1.00 0.00 O ATOM 1182 CB MET A 99 -6.482 2.322 -0.932 1.00 0.00 C ATOM 1183 CG MET A 99 -6.919 0.871 -0.809 1.00 0.00 C ATOM 1184 SD MET A 99 -7.634 0.486 0.802 1.00 0.00 S ATOM 1185 CE MET A 99 -8.025 -1.249 0.592 1.00 0.00 C ATOM 0 H MET A 99 -6.106 4.680 -1.527 1.00 0.00 H new ATOM 0 HA MET A 99 -8.276 2.935 -1.947 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.786 2.412 -1.766 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.938 2.605 -0.031 1.00 0.00 H new ATOM 0 HG2 MET A 99 -7.650 0.650 -1.587 1.00 0.00 H new ATOM 0 HG3 MET A 99 -6.061 0.222 -0.984 1.00 0.00 H new ATOM 0 HE1 MET A 99 -8.476 -1.634 1.507 1.00 0.00 H new ATOM 0 HE2 MET A 99 -8.725 -1.367 -0.235 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.112 -1.804 0.376 1.00 0.00 H new ATOM 1195 N ARG A 100 -7.998 4.180 1.091 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.707 4.365 2.354 1.00 0.00 C ATOM 1197 C ARG A 100 -9.911 5.285 2.170 1.00 0.00 C ATOM 1198 O ARG A 100 -10.990 5.026 2.705 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.764 4.948 3.410 1.00 0.00 C ATOM 1200 CG ARG A 100 -8.416 5.143 4.769 1.00 0.00 C ATOM 1201 CD ARG A 100 -7.491 5.869 5.732 1.00 0.00 C ATOM 1202 NE ARG A 100 -7.145 7.206 5.253 1.00 0.00 N ATOM 1203 CZ ARG A 100 -6.764 8.201 6.051 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -6.678 8.009 7.361 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -6.469 9.387 5.539 1.00 0.00 N ATOM 0 H ARG A 100 -7.118 4.691 1.023 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.062 3.391 2.690 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.904 4.288 3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.386 5.907 3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.339 5.710 4.653 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.688 4.173 5.186 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.971 5.946 6.708 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.580 5.286 5.870 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.199 7.387 4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.904 7.097 7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.386 8.773 7.970 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.534 9.538 4.532 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.177 10.149 6.152 1.00 0.00 H new ATOM 1219 N ASP A 101 -9.716 6.356 1.408 1.00 0.00 N ATOM 1220 CA ASP A 101 -10.781 7.318 1.150 1.00 0.00 C ATOM 1221 C ASP A 101 -11.836 6.734 0.217 1.00 0.00 C ATOM 1222 O ASP A 101 -12.896 7.327 0.022 1.00 0.00 O ATOM 1223 CB ASP A 101 -10.206 8.603 0.551 1.00 0.00 C ATOM 1224 CG ASP A 101 -9.458 9.434 1.575 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -8.241 9.213 1.744 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -10.090 10.305 2.208 1.00 0.00 O ATOM 0 H ASP A 101 -8.829 6.580 0.958 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.258 7.552 2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -9.533 8.349 -0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.016 9.197 0.127 1.00 0.00 H new