USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 948 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 129 GLN : amide:sc= 0.99 K(o=2.3,f=-1.5) USER MOD Set 1.2: A 139 THR OG1 : rot -78:sc= 1.32 USER MOD Set 2.1: A 113 THR OG1 : rot -82:sc= 0.119 USER MOD Set 2.2: A 114 HIS : no HD1:sc= -0.0568 K(o=0.062,f=-3.3!) USER MOD Set 3.1: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 95 MET CE :methyl 152:sc=-0.00694 (180deg=-0.872) USER MOD Set 4.1: A 74 TYR OH : rot 30:sc= -0.446 USER MOD Set 4.2: A 108 TYR OH : rot 150:sc= 0.0188 USER MOD Single : A 16 ASN : amide:sc= -1.04 K(o=-1,f=-1.8!) USER MOD Single : A 20 THR OG1 : rot 170:sc= 1.22 USER MOD Single : A 21 GLN : amide:sc= -0.0817 X(o=-0.082,f=-0.0061) USER MOD Single : A 26 THR OG1 : rot -90:sc= 0.243 USER MOD Single : A 27 SER OG : rot -6:sc= 0.763 USER MOD Single : A 31 SER OG : rot -27:sc= 0.0507 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.01) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 74:sc= 1.27 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0717 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 160:sc= 0.0943 USER MOD Single : A 62 GLN : amide:sc= 0.378 X(o=0.38,f=-0.04) USER MOD Single : A 64 HIS : no HD1:sc= -0.0637 X(o=-0.064,f=-0.16) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 116:sc= 1.18 USER MOD Single : A 72 ASN : amide:sc= -0.983 X(o=-0.98,f=-0.48) USER MOD Single : A 75 MET CE :methyl 150:sc= -1.08 (180deg=-4.55!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -12:sc= 1.36 USER MOD Single : A 81 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0046) USER MOD Single : A 84 LYS NZ :NH3+ -109:sc= 0.866 (180deg=-1.77!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 179:sc= 0 (180deg=-0.00106) USER MOD Single : A 99 THR OG1 : rot -92:sc= 0.316 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 110 ASN : amide:sc= 0.716 K(o=0.72,f=0) USER MOD Single : A 118 THR OG1 : rot -7:sc= 1.02 USER MOD Single : A 121 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.2) USER MOD Single : A 122 MET CE :methyl 172:sc= -0.0081 (180deg=-0.043) USER MOD Single : A 126 GLN : amide:sc= -1.67 X(o=-1.7,f=-1.3) USER MOD Single : A 127 GLN : amide:sc= 1.11 K(o=1.1,f=-0.027) USER MOD Single : A 128 MET CE :methyl 170:sc= -1.07 (180deg=-1.25!) USER MOD Single : A 134 ASN : amide:sc= 1.11 K(o=1.1,f=-0.00041) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0.0508 USER MOD ----------------------------------------------------------------- ATOM 201 N PHE A 15 13.906 4.022 -1.081 1.00 0.00 N ATOM 202 CA PHE A 15 12.870 4.912 -0.586 1.00 0.00 C ATOM 203 C PHE A 15 13.496 6.125 0.108 1.00 0.00 C ATOM 204 O PHE A 15 14.712 6.337 0.050 1.00 0.00 O ATOM 205 CB PHE A 15 11.855 4.125 0.261 1.00 0.00 C ATOM 206 CG PHE A 15 11.343 2.846 -0.388 1.00 0.00 C ATOM 207 CD1 PHE A 15 10.529 2.896 -1.533 1.00 0.00 C ATOM 208 CD2 PHE A 15 11.690 1.593 0.147 1.00 0.00 C ATOM 209 CE1 PHE A 15 10.031 1.718 -2.112 1.00 0.00 C ATOM 210 CE2 PHE A 15 11.196 0.409 -0.427 1.00 0.00 C ATOM 211 CZ PHE A 15 10.357 0.471 -1.551 1.00 0.00 C ATOM 0 HA PHE A 15 12.293 5.326 -1.413 1.00 0.00 H new ATOM 0 HB2 PHE A 15 12.317 3.873 1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 15 11.005 4.772 0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.284 3.852 -1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 15 12.342 1.540 1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 15 9.399 1.770 -2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.462 -0.548 -0.004 1.00 0.00 H new ATOM 0 HZ PHE A 15 9.963 -0.437 -1.983 1.00 0.00 H new ATOM 221 N ASN A 16 12.655 7.005 0.641 1.00 0.00 N ATOM 222 CA ASN A 16 13.063 8.213 1.367 1.00 0.00 C ATOM 223 C ASN A 16 11.878 8.712 2.210 1.00 0.00 C ATOM 224 O ASN A 16 10.755 8.708 1.707 1.00 0.00 O ATOM 225 CB ASN A 16 13.387 9.286 0.314 1.00 0.00 C ATOM 226 CG ASN A 16 14.033 10.547 0.850 1.00 0.00 C ATOM 227 OD1 ASN A 16 14.954 10.498 1.650 1.00 0.00 O ATOM 228 ND2 ASN A 16 13.607 11.711 0.398 1.00 0.00 N ATOM 0 H ASN A 16 11.642 6.899 0.581 1.00 0.00 H new ATOM 0 HA ASN A 16 13.918 8.010 2.011 1.00 0.00 H new ATOM 0 HB2 ASN A 16 14.048 8.849 -0.434 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.464 9.560 -0.197 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.047 12.574 0.717 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.837 11.748 -0.270 1.00 0.00 H new ATOM 235 N PRO A 17 12.088 9.247 3.422 1.00 0.00 N ATOM 236 CA PRO A 17 11.017 9.716 4.298 1.00 0.00 C ATOM 237 C PRO A 17 10.535 11.112 3.909 1.00 0.00 C ATOM 238 O PRO A 17 9.344 11.398 4.049 1.00 0.00 O ATOM 239 CB PRO A 17 11.593 9.696 5.718 1.00 0.00 C ATOM 240 CG PRO A 17 13.100 9.816 5.488 1.00 0.00 C ATOM 241 CD PRO A 17 13.337 9.169 4.137 1.00 0.00 C ATOM 0 HA PRO A 17 10.139 9.074 4.218 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.211 10.521 6.319 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.338 8.775 6.243 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.419 10.858 5.489 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.662 9.310 6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.128 9.685 3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.654 8.132 4.253 1.00 0.00 H new ATOM 249 N ALA A 18 11.419 11.969 3.378 1.00 0.00 N ATOM 250 CA ALA A 18 11.070 13.277 2.824 1.00 0.00 C ATOM 251 C ALA A 18 10.352 13.121 1.469 1.00 0.00 C ATOM 252 O ALA A 18 10.768 13.653 0.441 1.00 0.00 O ATOM 253 CB ALA A 18 12.319 14.160 2.728 1.00 0.00 C ATOM 0 H ALA A 18 12.417 11.764 3.322 1.00 0.00 H new ATOM 0 HA ALA A 18 10.370 13.776 3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.047 15.131 2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.746 14.296 3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.053 13.682 2.080 1.00 0.00 H new ATOM 259 N ALA A 19 9.254 12.379 1.471 1.00 0.00 N ATOM 260 CA ALA A 19 8.358 12.041 0.374 1.00 0.00 C ATOM 261 C ALA A 19 7.004 11.744 0.983 1.00 0.00 C ATOM 262 O ALA A 19 6.011 12.249 0.482 1.00 0.00 O ATOM 263 CB ALA A 19 8.883 10.803 -0.353 1.00 0.00 C ATOM 0 H ALA A 19 8.934 11.951 2.340 1.00 0.00 H new ATOM 0 HA ALA A 19 8.290 12.858 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.212 10.551 -1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.878 11.008 -0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.934 9.966 0.344 1.00 0.00 H new ATOM 269 N THR A 20 6.943 11.038 2.112 1.00 0.00 N ATOM 270 CA THR A 20 5.719 10.725 2.837 1.00 0.00 C ATOM 271 C THR A 20 5.045 11.958 3.484 1.00 0.00 C ATOM 272 O THR A 20 4.272 11.827 4.428 1.00 0.00 O ATOM 273 CB THR A 20 5.995 9.604 3.848 1.00 0.00 C ATOM 274 OG1 THR A 20 7.183 8.874 3.579 1.00 0.00 O ATOM 275 CG2 THR A 20 4.819 8.630 3.839 1.00 0.00 C ATOM 0 H THR A 20 7.776 10.656 2.560 1.00 0.00 H new ATOM 0 HA THR A 20 4.987 10.372 2.111 1.00 0.00 H new ATOM 0 HB THR A 20 6.124 10.083 4.819 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.389 8.292 4.340 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.005 7.829 4.554 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.907 9.159 4.115 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.705 8.206 2.841 1.00 0.00 H new ATOM 283 N GLN A 21 5.339 13.161 2.993 1.00 0.00 N ATOM 284 CA GLN A 21 4.777 14.458 3.359 1.00 0.00 C ATOM 285 C GLN A 21 4.112 15.142 2.154 1.00 0.00 C ATOM 286 O GLN A 21 3.691 16.295 2.257 1.00 0.00 O ATOM 287 CB GLN A 21 5.917 15.319 3.909 1.00 0.00 C ATOM 288 CG GLN A 21 6.807 15.858 2.770 1.00 0.00 C ATOM 289 CD GLN A 21 8.206 16.263 3.204 1.00 0.00 C ATOM 290 OE1 GLN A 21 8.401 16.931 4.213 1.00 0.00 O ATOM 291 NE2 GLN A 21 9.218 15.959 2.409 1.00 0.00 N ATOM 0 H GLN A 21 6.042 13.260 2.261 1.00 0.00 H new ATOM 0 HA GLN A 21 4.000 14.325 4.112 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.505 16.152 4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.521 14.730 4.599 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.887 15.095 1.996 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.316 16.720 2.319 1.00 0.00 H new ATOM 0 HE21 GLN A 21 9.057 15.403 1.569 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.159 16.280 2.636 1.00 0.00 H new ATOM 300 N LEU A 22 4.121 14.458 1.006 1.00 0.00 N ATOM 301 CA LEU A 22 3.506 14.793 -0.268 1.00 0.00 C ATOM 302 C LEU A 22 2.378 13.788 -0.570 1.00 0.00 C ATOM 303 O LEU A 22 1.778 13.828 -1.643 1.00 0.00 O ATOM 304 CB LEU A 22 4.624 14.719 -1.330 1.00 0.00 C ATOM 305 CG LEU A 22 5.285 16.057 -1.690 1.00 0.00 C ATOM 306 CD1 LEU A 22 5.941 16.766 -0.500 1.00 0.00 C ATOM 307 CD2 LEU A 22 6.375 15.742 -2.714 1.00 0.00 C ATOM 0 H LEU A 22 4.611 13.566 0.948 1.00 0.00 H new ATOM 0 HA LEU A 22 3.062 15.788 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.396 14.037 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.209 14.283 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 22 4.510 16.728 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.386 17.703 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.188 16.973 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.717 16.127 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.878 16.664 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.099 15.056 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.926 15.281 -3.594 1.00 0.00 H new ATOM 319 N LEU A 23 2.111 12.845 0.344 1.00 0.00 N ATOM 320 CA LEU A 23 1.108 11.790 0.211 1.00 0.00 C ATOM 321 C LEU A 23 -0.251 12.386 0.574 1.00 0.00 C ATOM 322 O LEU A 23 -0.841 12.036 1.594 1.00 0.00 O ATOM 323 CB LEU A 23 1.472 10.579 1.104 1.00 0.00 C ATOM 324 CG LEU A 23 2.402 9.530 0.476 1.00 0.00 C ATOM 325 CD1 LEU A 23 1.682 8.656 -0.552 1.00 0.00 C ATOM 326 CD2 LEU A 23 3.646 10.141 -0.165 1.00 0.00 C ATOM 0 H LEU A 23 2.611 12.798 1.232 1.00 0.00 H new ATOM 0 HA LEU A 23 1.072 11.417 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.942 10.953 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.548 10.083 1.403 1.00 0.00 H new ATOM 0 HG LEU A 23 2.721 8.905 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.382 7.931 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.858 8.130 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.292 9.283 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.262 9.349 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.347 10.832 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.218 10.679 0.591 1.00 0.00 H new ATOM 338 N ASP A 24 -0.736 13.300 -0.265 1.00 0.00 N ATOM 339 CA ASP A 24 -1.955 14.059 0.004 1.00 0.00 C ATOM 340 C ASP A 24 -2.847 14.107 -1.220 1.00 0.00 C ATOM 341 O ASP A 24 -4.030 13.818 -1.111 1.00 0.00 O ATOM 342 CB ASP A 24 -1.630 15.483 0.472 1.00 0.00 C ATOM 343 CG ASP A 24 -2.084 15.695 1.910 1.00 0.00 C ATOM 344 OD1 ASP A 24 -3.306 15.715 2.174 1.00 0.00 O ATOM 345 OD2 ASP A 24 -1.223 15.819 2.808 1.00 0.00 O ATOM 0 H ASP A 24 -0.293 13.535 -1.153 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.488 13.546 0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.557 15.660 0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.121 16.206 -0.180 1.00 0.00 H new ATOM 350 N ASP A 25 -2.299 14.441 -2.389 1.00 0.00 N ATOM 351 CA ASP A 25 -3.030 14.467 -3.655 1.00 0.00 C ATOM 352 C ASP A 25 -2.292 13.514 -4.585 1.00 0.00 C ATOM 353 O ASP A 25 -1.636 13.921 -5.541 1.00 0.00 O ATOM 354 CB ASP A 25 -3.201 15.897 -4.200 1.00 0.00 C ATOM 355 CG ASP A 25 -4.537 16.489 -3.753 1.00 0.00 C ATOM 356 OD1 ASP A 25 -5.555 16.318 -4.471 1.00 0.00 O ATOM 357 OD2 ASP A 25 -4.595 17.102 -2.668 1.00 0.00 O ATOM 0 H ASP A 25 -1.318 14.705 -2.484 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.060 14.131 -3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.383 16.526 -3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.149 15.885 -5.289 1.00 0.00 H new ATOM 362 N THR A 26 -2.311 12.228 -4.242 1.00 0.00 N ATOM 363 CA THR A 26 -1.605 11.175 -4.965 1.00 0.00 C ATOM 364 C THR A 26 -2.522 9.965 -5.132 1.00 0.00 C ATOM 365 O THR A 26 -3.626 9.915 -4.596 1.00 0.00 O ATOM 366 CB THR A 26 -0.274 10.828 -4.271 1.00 0.00 C ATOM 367 OG1 THR A 26 -0.476 10.419 -2.936 1.00 0.00 O ATOM 368 CG2 THR A 26 0.709 11.995 -4.247 1.00 0.00 C ATOM 0 H THR A 26 -2.830 11.882 -3.435 1.00 0.00 H new ATOM 0 HA THR A 26 -1.342 11.528 -5.962 1.00 0.00 H new ATOM 0 HB THR A 26 0.147 10.016 -4.864 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.439 11.200 -2.345 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.626 11.688 -3.745 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.938 12.299 -5.268 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.265 12.833 -3.710 1.00 0.00 H new ATOM 376 N SER A 27 -2.135 8.969 -5.915 1.00 0.00 N ATOM 377 CA SER A 27 -2.956 7.790 -6.150 1.00 0.00 C ATOM 378 C SER A 27 -2.022 6.652 -6.559 1.00 0.00 C ATOM 379 O SER A 27 -0.950 6.876 -7.134 1.00 0.00 O ATOM 380 CB SER A 27 -3.982 8.137 -7.231 1.00 0.00 C ATOM 381 OG SER A 27 -4.924 9.080 -6.769 1.00 0.00 O ATOM 0 H SER A 27 -1.241 8.955 -6.406 1.00 0.00 H new ATOM 0 HA SER A 27 -3.506 7.472 -5.264 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.469 8.534 -8.107 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.499 7.231 -7.548 1.00 0.00 H new ATOM 0 HG SER A 27 -4.779 9.247 -5.814 1.00 0.00 H new ATOM 387 N TRP A 28 -2.399 5.432 -6.214 1.00 0.00 N ATOM 388 CA TRP A 28 -1.503 4.289 -6.151 1.00 0.00 C ATOM 389 C TRP A 28 -2.350 3.023 -6.250 1.00 0.00 C ATOM 390 O TRP A 28 -3.522 3.022 -5.873 1.00 0.00 O ATOM 391 CB TRP A 28 -0.731 4.293 -4.816 1.00 0.00 C ATOM 392 CG TRP A 28 0.014 5.545 -4.442 1.00 0.00 C ATOM 393 CD1 TRP A 28 -0.505 6.573 -3.733 1.00 0.00 C ATOM 394 CD2 TRP A 28 1.406 5.913 -4.707 1.00 0.00 C ATOM 395 NE1 TRP A 28 0.447 7.557 -3.572 1.00 0.00 N ATOM 396 CE2 TRP A 28 1.658 7.191 -4.127 1.00 0.00 C ATOM 397 CE3 TRP A 28 2.493 5.289 -5.359 1.00 0.00 C ATOM 398 CZ2 TRP A 28 2.925 7.799 -4.177 1.00 0.00 C ATOM 399 CZ3 TRP A 28 3.760 5.899 -5.458 1.00 0.00 C ATOM 400 CH2 TRP A 28 3.982 7.146 -4.838 1.00 0.00 C ATOM 0 H TRP A 28 -3.361 5.203 -5.964 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.781 4.333 -6.966 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.440 4.074 -4.018 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.015 3.472 -4.840 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.514 6.617 -3.350 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.278 8.446 -3.101 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.348 4.312 -5.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.086 8.760 -3.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.555 5.415 -6.005 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.962 7.599 -4.870 1.00 0.00 H new ATOM 411 N VAL A 29 -1.792 1.918 -6.720 1.00 0.00 N ATOM 412 CA VAL A 29 -2.539 0.681 -6.951 1.00 0.00 C ATOM 413 C VAL A 29 -1.674 -0.429 -6.379 1.00 0.00 C ATOM 414 O VAL A 29 -0.463 -0.415 -6.570 1.00 0.00 O ATOM 415 CB VAL A 29 -2.883 0.516 -8.444 1.00 0.00 C ATOM 416 CG1 VAL A 29 -3.844 -0.645 -8.727 1.00 0.00 C ATOM 417 CG2 VAL A 29 -3.470 1.786 -9.044 1.00 0.00 C ATOM 0 H VAL A 29 -0.802 1.849 -6.955 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.511 0.672 -6.458 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.927 0.293 -8.917 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.041 -0.701 -9.797 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.394 -1.580 -8.391 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.780 -0.481 -8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.696 1.620 -10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.385 2.050 -8.514 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.750 2.599 -8.951 1.00 0.00 H new ATOM 427 N LEU A 30 -2.259 -1.280 -5.537 1.00 0.00 N ATOM 428 CA LEU A 30 -1.531 -2.359 -4.885 1.00 0.00 C ATOM 429 C LEU A 30 -1.348 -3.436 -5.931 1.00 0.00 C ATOM 430 O LEU A 30 -2.347 -3.846 -6.529 1.00 0.00 O ATOM 431 CB LEU A 30 -2.366 -2.916 -3.733 1.00 0.00 C ATOM 432 CG LEU A 30 -1.721 -4.024 -2.884 1.00 0.00 C ATOM 433 CD1 LEU A 30 -1.878 -5.442 -3.445 1.00 0.00 C ATOM 434 CD2 LEU A 30 -0.272 -3.756 -2.490 1.00 0.00 C ATOM 0 H LEU A 30 -3.248 -1.238 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.577 -2.013 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.627 -2.090 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.298 -3.302 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.314 -3.984 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.391 -6.153 -2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.937 -5.686 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.417 -5.496 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.103 -4.588 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.336 -3.651 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.218 -2.837 -1.906 1.00 0.00 H new ATOM 446 N SER A 31 -0.127 -3.938 -6.106 1.00 0.00 N ATOM 447 CA SER A 31 0.121 -4.985 -7.085 1.00 0.00 C ATOM 448 C SER A 31 0.745 -6.239 -6.481 1.00 0.00 C ATOM 449 O SER A 31 0.693 -7.299 -7.112 1.00 0.00 O ATOM 450 CB SER A 31 0.970 -4.420 -8.233 1.00 0.00 C ATOM 451 OG SER A 31 0.896 -5.262 -9.364 1.00 0.00 O ATOM 0 H SER A 31 0.697 -3.637 -5.586 1.00 0.00 H new ATOM 0 HA SER A 31 -0.843 -5.309 -7.477 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.621 -3.421 -8.493 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.007 -4.322 -7.912 1.00 0.00 H new ATOM 0 HG SER A 31 0.712 -6.181 -9.076 1.00 0.00 H new ATOM 457 N ALA A 32 1.302 -6.176 -5.269 1.00 0.00 N ATOM 458 CA ALA A 32 1.861 -7.343 -4.604 1.00 0.00 C ATOM 459 C ALA A 32 1.872 -7.097 -3.102 1.00 0.00 C ATOM 460 O ALA A 32 2.067 -5.965 -2.662 1.00 0.00 O ATOM 461 CB ALA A 32 3.281 -7.607 -5.123 1.00 0.00 C ATOM 0 H ALA A 32 1.375 -5.315 -4.727 1.00 0.00 H new ATOM 0 HA ALA A 32 1.252 -8.222 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.695 -8.482 -4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.248 -7.786 -6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.910 -6.741 -4.919 1.00 0.00 H new ATOM 467 N TRP A 33 1.693 -8.156 -2.321 1.00 0.00 N ATOM 468 CA TRP A 33 1.670 -8.125 -0.869 1.00 0.00 C ATOM 469 C TRP A 33 2.506 -9.297 -0.387 1.00 0.00 C ATOM 470 O TRP A 33 2.157 -10.451 -0.633 1.00 0.00 O ATOM 471 CB TRP A 33 0.216 -8.204 -0.393 1.00 0.00 C ATOM 472 CG TRP A 33 -0.079 -8.128 1.077 1.00 0.00 C ATOM 473 CD1 TRP A 33 0.789 -8.091 2.117 1.00 0.00 C ATOM 474 CD2 TRP A 33 -1.400 -8.059 1.679 1.00 0.00 C ATOM 475 NE1 TRP A 33 0.096 -7.975 3.305 1.00 0.00 N ATOM 476 CE2 TRP A 33 -1.263 -7.917 3.090 1.00 0.00 C ATOM 477 CE3 TRP A 33 -2.705 -8.102 1.151 1.00 0.00 C ATOM 478 CZ2 TRP A 33 -2.373 -7.768 3.931 1.00 0.00 C ATOM 479 CZ3 TRP A 33 -3.821 -7.901 1.978 1.00 0.00 C ATOM 480 CH2 TRP A 33 -3.652 -7.727 3.359 1.00 0.00 C ATOM 0 H TRP A 33 1.555 -9.093 -2.699 1.00 0.00 H new ATOM 0 HA TRP A 33 2.087 -7.203 -0.464 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.333 -7.398 -0.880 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.200 -9.141 -0.763 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.864 -8.144 2.029 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.535 -7.937 4.225 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.849 -8.292 0.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.246 -7.686 5.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -4.812 -7.880 1.550 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.514 -7.560 3.987 1.00 0.00 H new ATOM 491 N LYS A 34 3.617 -9.017 0.283 1.00 0.00 N ATOM 492 CA LYS A 34 4.461 -10.011 0.901 1.00 0.00 C ATOM 493 C LYS A 34 4.169 -10.067 2.392 1.00 0.00 C ATOM 494 O LYS A 34 3.880 -9.050 3.020 1.00 0.00 O ATOM 495 CB LYS A 34 5.919 -9.618 0.660 1.00 0.00 C ATOM 496 CG LYS A 34 6.767 -10.878 0.495 1.00 0.00 C ATOM 497 CD LYS A 34 7.053 -11.200 -0.979 1.00 0.00 C ATOM 498 CE LYS A 34 8.406 -10.584 -1.347 1.00 0.00 C ATOM 499 NZ LYS A 34 9.027 -11.209 -2.535 1.00 0.00 N ATOM 0 H LYS A 34 3.958 -8.064 0.410 1.00 0.00 H new ATOM 0 HA LYS A 34 4.270 -10.995 0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.996 -8.996 -0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.290 -9.025 1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.710 -10.750 1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.253 -11.722 0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.070 -12.278 -1.137 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.266 -10.797 -1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.274 -9.518 -1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.084 -10.679 -0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.939 -10.749 -2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.182 -12.221 -2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.398 -11.097 -3.355 1.00 0.00 H new ATOM 513 N GLN A 35 4.259 -11.249 2.976 1.00 0.00 N ATOM 514 CA GLN A 35 4.164 -11.427 4.405 1.00 0.00 C ATOM 515 C GLN A 35 5.484 -11.074 5.070 1.00 0.00 C ATOM 516 O GLN A 35 6.511 -10.967 4.397 1.00 0.00 O ATOM 517 CB GLN A 35 3.733 -12.851 4.726 1.00 0.00 C ATOM 518 CG GLN A 35 2.269 -13.087 4.324 1.00 0.00 C ATOM 519 CD GLN A 35 1.758 -14.444 4.795 1.00 0.00 C ATOM 520 OE1 GLN A 35 1.119 -15.186 4.051 1.00 0.00 O ATOM 521 NE2 GLN A 35 1.989 -14.777 6.055 1.00 0.00 N ATOM 0 H GLN A 35 4.402 -12.118 2.462 1.00 0.00 H new ATOM 0 HA GLN A 35 3.406 -10.752 4.803 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.376 -13.557 4.201 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.856 -13.040 5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.646 -12.299 4.746 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.176 -13.021 3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.521 -14.150 6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.635 -15.660 6.422 1.00 0.00 H new ATOM 530 N ALA A 36 5.458 -10.937 6.396 1.00 0.00 N ATOM 531 CA ALA A 36 6.602 -10.516 7.183 1.00 0.00 C ATOM 532 C ALA A 36 7.800 -11.434 7.022 1.00 0.00 C ATOM 533 O ALA A 36 8.930 -10.954 7.025 1.00 0.00 O ATOM 534 CB ALA A 36 6.201 -10.396 8.651 1.00 0.00 C ATOM 0 H ALA A 36 4.625 -11.120 6.956 1.00 0.00 H new ATOM 0 HA ALA A 36 6.915 -9.541 6.809 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.063 -10.080 9.239 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.403 -9.660 8.751 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.850 -11.363 9.013 1.00 0.00 H new ATOM 540 N ASP A 37 7.565 -12.731 6.836 1.00 0.00 N ATOM 541 CA ASP A 37 8.674 -13.659 6.627 1.00 0.00 C ATOM 542 C ASP A 37 9.086 -13.708 5.152 1.00 0.00 C ATOM 543 O ASP A 37 10.271 -13.860 4.858 1.00 0.00 O ATOM 544 CB ASP A 37 8.319 -15.030 7.193 1.00 0.00 C ATOM 545 CG ASP A 37 9.380 -16.075 6.867 1.00 0.00 C ATOM 546 OD1 ASP A 37 10.418 -16.134 7.561 1.00 0.00 O ATOM 547 OD2 ASP A 37 9.115 -16.927 5.991 1.00 0.00 O ATOM 0 H ASP A 37 6.638 -13.157 6.825 1.00 0.00 H new ATOM 0 HA ASP A 37 9.549 -13.301 7.170 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.203 -14.957 8.274 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.358 -15.351 6.790 1.00 0.00 H new ATOM 552 N GLY A 38 8.147 -13.488 4.222 1.00 0.00 N ATOM 553 CA GLY A 38 8.423 -13.433 2.795 1.00 0.00 C ATOM 554 C GLY A 38 7.376 -14.113 1.904 1.00 0.00 C ATOM 555 O GLY A 38 7.533 -14.078 0.685 1.00 0.00 O ATOM 0 H GLY A 38 7.164 -13.342 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.508 -12.388 2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.392 -13.897 2.610 1.00 0.00 H new ATOM 559 N THR A 39 6.308 -14.716 2.439 1.00 0.00 N ATOM 560 CA THR A 39 5.244 -15.313 1.634 1.00 0.00 C ATOM 561 C THR A 39 4.527 -14.230 0.846 1.00 0.00 C ATOM 562 O THR A 39 3.792 -13.424 1.406 1.00 0.00 O ATOM 563 CB THR A 39 4.275 -16.126 2.500 1.00 0.00 C ATOM 564 OG1 THR A 39 4.947 -17.281 2.928 1.00 0.00 O ATOM 565 CG2 THR A 39 3.034 -16.619 1.754 1.00 0.00 C ATOM 0 H THR A 39 6.160 -14.802 3.445 1.00 0.00 H new ATOM 0 HA THR A 39 5.689 -16.013 0.927 1.00 0.00 H new ATOM 0 HB THR A 39 3.953 -15.464 3.304 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.349 -17.820 3.487 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.400 -17.185 2.437 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.479 -15.765 1.367 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.338 -17.259 0.926 1.00 0.00 H new ATOM 573 N ALA A 40 4.734 -14.202 -0.461 1.00 0.00 N ATOM 574 CA ALA A 40 3.902 -13.454 -1.374 1.00 0.00 C ATOM 575 C ALA A 40 2.464 -13.982 -1.315 1.00 0.00 C ATOM 576 O ALA A 40 2.188 -15.113 -1.720 1.00 0.00 O ATOM 577 CB ALA A 40 4.552 -13.565 -2.743 1.00 0.00 C ATOM 0 H ALA A 40 5.495 -14.706 -0.917 1.00 0.00 H new ATOM 0 HA ALA A 40 3.828 -12.398 -1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.959 -13.014 -3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.558 -13.147 -2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.606 -14.613 -3.036 1.00 0.00 H new ATOM 583 N ARG A 41 1.554 -13.179 -0.759 1.00 0.00 N ATOM 584 CA ARG A 41 0.116 -13.434 -0.725 1.00 0.00 C ATOM 585 C ARG A 41 -0.447 -13.451 -2.142 1.00 0.00 C ATOM 586 O ARG A 41 0.234 -13.063 -3.093 1.00 0.00 O ATOM 587 CB ARG A 41 -0.574 -12.333 0.098 1.00 0.00 C ATOM 588 CG ARG A 41 -0.545 -12.576 1.613 1.00 0.00 C ATOM 589 CD ARG A 41 -0.766 -11.210 2.272 1.00 0.00 C ATOM 590 NE ARG A 41 -1.065 -11.248 3.709 1.00 0.00 N ATOM 591 CZ ARG A 41 -2.272 -11.373 4.267 1.00 0.00 C ATOM 592 NH1 ARG A 41 -3.323 -11.741 3.537 1.00 0.00 N ATOM 593 NH2 ARG A 41 -2.394 -11.132 5.563 1.00 0.00 N ATOM 0 H ARG A 41 1.810 -12.302 -0.304 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.068 -14.405 -0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.093 -11.378 -0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.611 -12.247 -0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.322 -13.281 1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.409 -13.006 1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.126 -10.603 2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.586 -10.706 1.760 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.271 -11.171 4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.211 -11.931 2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.240 -11.833 3.974 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.578 -10.858 6.110 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.304 -11.220 6.015 1.00 0.00 H new ATOM 607 N ALA A 42 -1.711 -13.839 -2.287 1.00 0.00 N ATOM 608 CA ALA A 42 -2.429 -13.779 -3.551 1.00 0.00 C ATOM 609 C ALA A 42 -3.270 -12.507 -3.566 1.00 0.00 C ATOM 610 O ALA A 42 -4.049 -12.282 -2.635 1.00 0.00 O ATOM 611 CB ALA A 42 -3.304 -15.021 -3.694 1.00 0.00 C ATOM 0 H ALA A 42 -2.270 -14.208 -1.518 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.735 -13.756 -4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.843 -14.979 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.677 -15.912 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.018 -15.060 -2.871 1.00 0.00 H new ATOM 617 N VAL A 43 -3.140 -11.679 -4.603 1.00 0.00 N ATOM 618 CA VAL A 43 -3.872 -10.421 -4.730 1.00 0.00 C ATOM 619 C VAL A 43 -4.535 -10.349 -6.114 1.00 0.00 C ATOM 620 O VAL A 43 -4.087 -11.033 -7.041 1.00 0.00 O ATOM 621 CB VAL A 43 -2.952 -9.216 -4.423 1.00 0.00 C ATOM 622 CG1 VAL A 43 -2.399 -9.297 -2.988 1.00 0.00 C ATOM 623 CG2 VAL A 43 -1.773 -9.057 -5.397 1.00 0.00 C ATOM 0 H VAL A 43 -2.515 -11.867 -5.387 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.671 -10.379 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.590 -8.341 -4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.755 -8.438 -2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.226 -9.295 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.823 -10.215 -2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.179 -8.189 -5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.150 -9.951 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.153 -8.918 -6.409 1.00 0.00 H new ATOM 633 N PRO A 44 -5.622 -9.579 -6.278 1.00 0.00 N ATOM 634 CA PRO A 44 -6.292 -9.431 -7.561 1.00 0.00 C ATOM 635 C PRO A 44 -5.466 -8.534 -8.491 1.00 0.00 C ATOM 636 O PRO A 44 -5.472 -7.310 -8.346 1.00 0.00 O ATOM 637 CB PRO A 44 -7.665 -8.840 -7.231 1.00 0.00 C ATOM 638 CG PRO A 44 -7.438 -8.074 -5.933 1.00 0.00 C ATOM 639 CD PRO A 44 -6.339 -8.866 -5.230 1.00 0.00 C ATOM 0 HA PRO A 44 -6.403 -10.375 -8.094 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.017 -8.182 -8.026 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.416 -9.621 -7.107 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.130 -7.046 -6.124 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.346 -8.029 -5.331 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.670 -8.202 -4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.762 -9.561 -4.505 1.00 0.00 H new ATOM 647 N SER A 45 -4.767 -9.127 -9.460 1.00 0.00 N ATOM 648 CA SER A 45 -4.179 -8.414 -10.584 1.00 0.00 C ATOM 649 C SER A 45 -5.315 -7.748 -11.364 1.00 0.00 C ATOM 650 O SER A 45 -6.439 -8.247 -11.351 1.00 0.00 O ATOM 651 CB SER A 45 -3.554 -9.464 -11.493 1.00 0.00 C ATOM 652 OG SER A 45 -2.183 -9.712 -11.226 1.00 0.00 O ATOM 0 H SER A 45 -4.593 -10.132 -9.482 1.00 0.00 H new ATOM 0 HA SER A 45 -3.449 -7.676 -10.253 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.109 -10.397 -11.390 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.660 -9.143 -12.529 1.00 0.00 H new ATOM 0 HG SER A 45 -1.848 -10.395 -11.843 1.00 0.00 H new ATOM 658 N ALA A 46 -5.024 -6.712 -12.143 1.00 0.00 N ATOM 659 CA ALA A 46 -6.015 -5.960 -12.916 1.00 0.00 C ATOM 660 C ALA A 46 -6.708 -6.794 -13.991 1.00 0.00 C ATOM 661 O ALA A 46 -7.784 -6.412 -14.449 1.00 0.00 O ATOM 662 CB ALA A 46 -5.367 -4.719 -13.534 1.00 0.00 C ATOM 0 H ALA A 46 -4.073 -6.361 -12.260 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.795 -5.660 -12.216 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.112 -4.167 -14.107 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.972 -4.082 -12.742 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.554 -5.023 -14.194 1.00 0.00 H new ATOM 668 N ASP A 47 -6.149 -7.946 -14.366 1.00 0.00 N ATOM 669 CA ASP A 47 -6.792 -8.863 -15.301 1.00 0.00 C ATOM 670 C ASP A 47 -7.986 -9.594 -14.683 1.00 0.00 C ATOM 671 O ASP A 47 -8.698 -10.300 -15.396 1.00 0.00 O ATOM 672 CB ASP A 47 -5.814 -9.944 -15.785 1.00 0.00 C ATOM 673 CG ASP A 47 -4.524 -9.417 -16.378 1.00 0.00 C ATOM 674 OD1 ASP A 47 -4.514 -9.021 -17.567 1.00 0.00 O ATOM 675 OD2 ASP A 47 -3.501 -9.445 -15.661 1.00 0.00 O ATOM 0 H ASP A 47 -5.241 -8.266 -14.030 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.129 -8.237 -16.127 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.571 -10.596 -14.946 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.316 -10.559 -16.532 1.00 0.00 H new ATOM 680 N GLN A 48 -8.160 -9.526 -13.361 1.00 0.00 N ATOM 681 CA GLN A 48 -9.056 -10.405 -12.610 1.00 0.00 C ATOM 682 C GLN A 48 -10.452 -9.801 -12.406 1.00 0.00 C ATOM 683 O GLN A 48 -11.410 -10.549 -12.203 1.00 0.00 O ATOM 684 CB GLN A 48 -8.425 -10.760 -11.258 1.00 0.00 C ATOM 685 CG GLN A 48 -7.133 -11.594 -11.342 1.00 0.00 C ATOM 686 CD GLN A 48 -7.370 -13.092 -11.498 1.00 0.00 C ATOM 687 OE1 GLN A 48 -7.637 -13.794 -10.524 1.00 0.00 O ATOM 688 NE2 GLN A 48 -7.260 -13.639 -12.694 1.00 0.00 N ATOM 0 H GLN A 48 -7.674 -8.848 -12.774 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.192 -11.309 -13.204 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.209 -9.836 -10.721 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.157 -11.310 -10.666 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.539 -11.241 -12.185 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.543 -11.422 -10.442 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.039 -13.058 -13.502 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.396 -14.643 -12.810 1.00 0.00 H new ATOM 697 N GLY A 49 -10.606 -8.479 -12.487 1.00 0.00 N ATOM 698 CA GLY A 49 -11.890 -7.809 -12.638 1.00 0.00 C ATOM 699 C GLY A 49 -12.234 -6.750 -11.582 1.00 0.00 C ATOM 700 O GLY A 49 -13.231 -6.049 -11.752 1.00 0.00 O ATOM 0 H GLY A 49 -9.819 -7.832 -12.448 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.915 -7.334 -13.619 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.674 -8.566 -12.631 1.00 0.00 H new ATOM 704 N ALA A 50 -11.465 -6.625 -10.499 1.00 0.00 N ATOM 705 CA ALA A 50 -11.616 -5.631 -9.437 1.00 0.00 C ATOM 706 C ALA A 50 -10.276 -5.446 -8.691 1.00 0.00 C ATOM 707 O ALA A 50 -10.112 -5.948 -7.576 1.00 0.00 O ATOM 708 CB ALA A 50 -12.735 -6.061 -8.492 1.00 0.00 C ATOM 0 H ALA A 50 -10.677 -7.250 -10.331 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.888 -4.667 -9.867 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.848 -5.320 -7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.669 -6.143 -9.048 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.488 -7.027 -8.052 1.00 0.00 H new ATOM 714 N PRO A 51 -9.307 -4.731 -9.285 1.00 0.00 N ATOM 715 CA PRO A 51 -7.989 -4.502 -8.700 1.00 0.00 C ATOM 716 C PRO A 51 -8.068 -3.608 -7.463 1.00 0.00 C ATOM 717 O PRO A 51 -9.045 -2.871 -7.276 1.00 0.00 O ATOM 718 CB PRO A 51 -7.161 -3.852 -9.809 1.00 0.00 C ATOM 719 CG PRO A 51 -8.197 -3.231 -10.739 1.00 0.00 C ATOM 720 CD PRO A 51 -9.399 -4.152 -10.608 1.00 0.00 C ATOM 0 HA PRO A 51 -7.539 -5.433 -8.355 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.483 -3.098 -9.409 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.548 -4.587 -10.331 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.440 -2.211 -10.442 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.837 -3.187 -11.767 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.331 -3.599 -10.729 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.385 -4.926 -11.376 1.00 0.00 H new ATOM 728 N ILE A 52 -7.026 -3.646 -6.634 1.00 0.00 N ATOM 729 CA ILE A 52 -6.936 -2.876 -5.399 1.00 0.00 C ATOM 730 C ILE A 52 -6.303 -1.504 -5.699 1.00 0.00 C ATOM 731 O ILE A 52 -5.100 -1.419 -5.947 1.00 0.00 O ATOM 732 CB ILE A 52 -6.229 -3.723 -4.314 1.00 0.00 C ATOM 733 CG1 ILE A 52 -7.207 -4.838 -3.851 1.00 0.00 C ATOM 734 CG2 ILE A 52 -5.826 -2.869 -3.092 1.00 0.00 C ATOM 735 CD1 ILE A 52 -6.636 -5.814 -2.819 1.00 0.00 C ATOM 0 H ILE A 52 -6.205 -4.226 -6.808 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.918 -2.651 -4.984 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.319 -4.145 -4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.096 -4.368 -3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.528 -5.404 -4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.333 -3.501 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.144 -2.080 -3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.717 -2.422 -2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.393 -6.554 -2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.765 -6.318 -3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.342 -5.266 -1.924 1.00 0.00 H new ATOM 747 N THR A 53 -7.093 -0.424 -5.683 1.00 0.00 N ATOM 748 CA THR A 53 -6.644 0.950 -5.944 1.00 0.00 C ATOM 749 C THR A 53 -6.749 1.782 -4.652 1.00 0.00 C ATOM 750 O THR A 53 -7.598 1.500 -3.799 1.00 0.00 O ATOM 751 CB THR A 53 -7.518 1.593 -7.039 1.00 0.00 C ATOM 752 OG1 THR A 53 -8.902 1.534 -6.739 1.00 0.00 O ATOM 753 CG2 THR A 53 -7.354 0.952 -8.414 1.00 0.00 C ATOM 0 H THR A 53 -8.091 -0.483 -5.482 1.00 0.00 H new ATOM 0 HA THR A 53 -5.608 0.926 -6.281 1.00 0.00 H new ATOM 0 HB THR A 53 -7.164 2.624 -7.063 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.412 1.956 -7.462 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.000 1.458 -9.131 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.316 1.041 -8.735 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.628 -0.102 -8.359 1.00 0.00 H new ATOM 761 N LEU A 54 -5.942 2.840 -4.521 1.00 0.00 N ATOM 762 CA LEU A 54 -5.936 3.835 -3.446 1.00 0.00 C ATOM 763 C LEU A 54 -5.917 5.203 -4.118 1.00 0.00 C ATOM 764 O LEU A 54 -5.244 5.407 -5.135 1.00 0.00 O ATOM 765 CB LEU A 54 -4.699 3.668 -2.528 1.00 0.00 C ATOM 766 CG LEU A 54 -4.423 4.837 -1.548 1.00 0.00 C ATOM 767 CD1 LEU A 54 -5.518 5.053 -0.496 1.00 0.00 C ATOM 768 CD2 LEU A 54 -3.109 4.606 -0.797 1.00 0.00 C ATOM 0 H LEU A 54 -5.222 3.037 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.814 3.715 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.822 2.754 -1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.819 3.531 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.384 5.724 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.245 5.889 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.463 5.272 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.626 4.152 0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.930 5.436 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.172 3.676 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.288 4.541 -1.511 1.00 0.00 H new ATOM 780 N THR A 55 -6.622 6.154 -3.528 1.00 0.00 N ATOM 781 CA THR A 55 -6.702 7.524 -3.967 1.00 0.00 C ATOM 782 C THR A 55 -6.605 8.398 -2.718 1.00 0.00 C ATOM 783 O THR A 55 -7.307 8.174 -1.728 1.00 0.00 O ATOM 784 CB THR A 55 -8.008 7.710 -4.755 1.00 0.00 C ATOM 785 OG1 THR A 55 -8.076 6.753 -5.813 1.00 0.00 O ATOM 786 CG2 THR A 55 -8.051 9.111 -5.352 1.00 0.00 C ATOM 0 H THR A 55 -7.178 5.976 -2.691 1.00 0.00 H new ATOM 0 HA THR A 55 -5.894 7.809 -4.641 1.00 0.00 H new ATOM 0 HB THR A 55 -8.852 7.570 -4.079 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.911 6.875 -6.311 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.978 9.240 -5.910 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.004 9.849 -4.551 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.202 9.247 -6.022 1.00 0.00 H new ATOM 794 N LEU A 56 -5.693 9.365 -2.764 1.00 0.00 N ATOM 795 CA LEU A 56 -5.471 10.355 -1.721 1.00 0.00 C ATOM 796 C LEU A 56 -5.719 11.693 -2.395 1.00 0.00 C ATOM 797 O LEU A 56 -5.059 11.993 -3.387 1.00 0.00 O ATOM 798 CB LEU A 56 -4.034 10.265 -1.169 1.00 0.00 C ATOM 799 CG LEU A 56 -3.663 8.898 -0.561 1.00 0.00 C ATOM 800 CD1 LEU A 56 -2.166 8.836 -0.258 1.00 0.00 C ATOM 801 CD2 LEU A 56 -4.449 8.608 0.716 1.00 0.00 C ATOM 0 H LEU A 56 -5.066 9.483 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.128 10.203 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.335 10.491 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.903 11.034 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.922 8.140 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.921 7.864 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.602 8.978 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.906 9.621 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.156 7.635 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.237 9.379 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.516 8.603 0.493 1.00 0.00 H new ATOM 813 N SER A 57 -6.701 12.453 -1.930 1.00 0.00 N ATOM 814 CA SER A 57 -7.014 13.788 -2.396 1.00 0.00 C ATOM 815 C SER A 57 -8.014 14.375 -1.397 1.00 0.00 C ATOM 816 O SER A 57 -8.630 13.642 -0.615 1.00 0.00 O ATOM 817 CB SER A 57 -7.593 13.695 -3.819 1.00 0.00 C ATOM 818 OG SER A 57 -7.780 14.982 -4.379 1.00 0.00 O ATOM 0 H SER A 57 -7.325 12.139 -1.187 1.00 0.00 H new ATOM 0 HA SER A 57 -6.137 14.433 -2.450 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.921 13.114 -4.451 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.545 13.164 -3.794 1.00 0.00 H new ATOM 0 HG SER A 57 -6.911 15.357 -4.633 1.00 0.00 H new ATOM 824 N THR A 58 -8.271 15.679 -1.480 1.00 0.00 N ATOM 825 CA THR A 58 -9.364 16.340 -0.783 1.00 0.00 C ATOM 826 C THR A 58 -10.705 16.033 -1.465 1.00 0.00 C ATOM 827 O THR A 58 -11.488 16.937 -1.752 1.00 0.00 O ATOM 828 CB THR A 58 -9.058 17.844 -0.622 1.00 0.00 C ATOM 829 OG1 THR A 58 -8.399 18.380 -1.761 1.00 0.00 O ATOM 830 CG2 THR A 58 -8.174 18.074 0.607 1.00 0.00 C ATOM 0 H THR A 58 -7.711 16.316 -2.047 1.00 0.00 H new ATOM 0 HA THR A 58 -9.458 15.944 0.228 1.00 0.00 H new ATOM 0 HB THR A 58 -10.015 18.352 -0.505 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.225 19.334 -1.619 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.965 19.139 0.710 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.690 17.717 1.498 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.237 17.530 0.488 1.00 0.00 H new ATOM 838 N SER A 59 -10.982 14.761 -1.754 1.00 0.00 N ATOM 839 CA SER A 59 -12.124 14.323 -2.544 1.00 0.00 C ATOM 840 C SER A 59 -13.458 14.518 -1.804 1.00 0.00 C ATOM 841 O SER A 59 -14.498 14.605 -2.453 1.00 0.00 O ATOM 842 CB SER A 59 -11.878 12.863 -2.941 1.00 0.00 C ATOM 843 OG SER A 59 -12.754 12.417 -3.961 1.00 0.00 O ATOM 0 H SER A 59 -10.399 13.988 -1.434 1.00 0.00 H new ATOM 0 HA SER A 59 -12.215 14.938 -3.440 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.848 12.752 -3.279 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.996 12.228 -2.063 1.00 0.00 H new ATOM 0 HG SER A 59 -12.555 11.482 -4.178 1.00 0.00 H new ATOM 849 N THR A 60 -13.440 14.634 -0.472 1.00 0.00 N ATOM 850 CA THR A 60 -14.598 15.002 0.345 1.00 0.00 C ATOM 851 C THR A 60 -14.581 16.498 0.704 1.00 0.00 C ATOM 852 O THR A 60 -15.429 16.974 1.459 1.00 0.00 O ATOM 853 CB THR A 60 -14.581 14.152 1.624 1.00 0.00 C ATOM 854 OG1 THR A 60 -13.357 14.357 2.310 1.00 0.00 O ATOM 855 CG2 THR A 60 -14.732 12.656 1.330 1.00 0.00 C ATOM 0 H THR A 60 -12.598 14.470 0.080 1.00 0.00 H new ATOM 0 HA THR A 60 -15.509 14.814 -0.224 1.00 0.00 H new ATOM 0 HB THR A 60 -15.429 14.465 2.233 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.459 14.091 3.248 1.00 0.00 H new ATOM 0 HG21 THR A 60 -14.714 12.098 2.266 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.679 12.479 0.820 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.911 12.325 0.694 1.00 0.00 H new ATOM 863 N GLY A 61 -13.559 17.220 0.242 1.00 0.00 N ATOM 864 CA GLY A 61 -13.136 18.514 0.741 1.00 0.00 C ATOM 865 C GLY A 61 -12.075 18.386 1.835 1.00 0.00 C ATOM 866 O GLY A 61 -11.392 19.369 2.110 1.00 0.00 O ATOM 0 H GLY A 61 -12.979 16.894 -0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.739 19.108 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.999 19.051 1.134 1.00 0.00 H new ATOM 870 N GLN A 62 -11.897 17.215 2.458 1.00 0.00 N ATOM 871 CA GLN A 62 -10.992 16.978 3.587 1.00 0.00 C ATOM 872 C GLN A 62 -9.984 15.880 3.255 1.00 0.00 C ATOM 873 O GLN A 62 -10.138 15.206 2.240 1.00 0.00 O ATOM 874 CB GLN A 62 -11.798 16.604 4.828 1.00 0.00 C ATOM 875 CG GLN A 62 -12.768 17.697 5.276 1.00 0.00 C ATOM 876 CD GLN A 62 -12.082 18.969 5.764 1.00 0.00 C ATOM 877 OE1 GLN A 62 -11.920 19.172 6.965 1.00 0.00 O ATOM 878 NE2 GLN A 62 -11.636 19.825 4.871 1.00 0.00 N ATOM 0 H GLN A 62 -12.400 16.373 2.177 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.437 17.895 3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.359 15.692 4.626 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.111 16.382 5.645 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.427 17.947 4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.397 17.306 6.075 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.777 19.645 3.877 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.149 20.669 5.172 1.00 0.00 H new ATOM 887 N ARG A 63 -8.965 15.685 4.104 1.00 0.00 N ATOM 888 CA ARG A 63 -7.904 14.702 3.887 1.00 0.00 C ATOM 889 C ARG A 63 -8.454 13.292 4.082 1.00 0.00 C ATOM 890 O ARG A 63 -8.347 12.709 5.163 1.00 0.00 O ATOM 891 CB ARG A 63 -6.657 15.018 4.735 1.00 0.00 C ATOM 892 CG ARG A 63 -6.818 15.112 6.264 1.00 0.00 C ATOM 893 CD ARG A 63 -5.446 15.263 6.934 1.00 0.00 C ATOM 894 NE ARG A 63 -4.899 16.615 6.776 1.00 0.00 N ATOM 895 CZ ARG A 63 -5.185 17.675 7.534 1.00 0.00 C ATOM 896 NH1 ARG A 63 -5.923 17.548 8.632 1.00 0.00 N ATOM 897 NH2 ARG A 63 -4.739 18.871 7.182 1.00 0.00 N ATOM 0 H ARG A 63 -8.857 16.214 4.970 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.559 14.760 2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.910 14.252 4.526 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.248 15.966 4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.450 15.962 6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.318 14.219 6.640 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.534 15.030 7.995 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.752 14.540 6.505 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.237 16.758 6.014 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.278 16.632 8.904 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.134 18.367 9.202 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.180 18.978 6.335 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.954 19.685 7.757 1.00 0.00 H new ATOM 911 N HIS A 64 -9.103 12.771 3.050 1.00 0.00 N ATOM 912 CA HIS A 64 -9.868 11.549 3.089 1.00 0.00 C ATOM 913 C HIS A 64 -9.357 10.651 1.983 1.00 0.00 C ATOM 914 O HIS A 64 -9.458 10.947 0.789 1.00 0.00 O ATOM 915 CB HIS A 64 -11.356 11.868 2.991 1.00 0.00 C ATOM 916 CG HIS A 64 -12.232 10.966 3.813 1.00 0.00 C ATOM 917 ND1 HIS A 64 -13.031 9.943 3.363 1.00 0.00 N ATOM 918 CD2 HIS A 64 -12.447 11.104 5.155 1.00 0.00 C ATOM 919 CE1 HIS A 64 -13.711 9.470 4.417 1.00 0.00 C ATOM 920 NE2 HIS A 64 -13.402 10.152 5.535 1.00 0.00 N ATOM 0 H HIS A 64 -9.106 13.211 2.130 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.744 11.017 4.033 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.517 12.899 3.306 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.663 11.802 1.947 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -11.967 11.819 5.806 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -14.413 8.651 4.374 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -13.785 10.006 6.469 1.00 0.00 H new ATOM 928 N ALA A 65 -8.757 9.559 2.417 1.00 0.00 N ATOM 929 CA ALA A 65 -8.389 8.451 1.569 1.00 0.00 C ATOM 930 C ALA A 65 -9.677 7.811 1.065 1.00 0.00 C ATOM 931 O ALA A 65 -10.693 7.776 1.768 1.00 0.00 O ATOM 932 CB ALA A 65 -7.548 7.442 2.359 1.00 0.00 C ATOM 0 H ALA A 65 -8.507 9.418 3.396 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.787 8.790 0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.275 6.609 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.644 7.929 2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.126 7.069 3.204 1.00 0.00 H new ATOM 938 N SER A 66 -9.613 7.264 -0.137 1.00 0.00 N ATOM 939 CA SER A 66 -10.665 6.477 -0.752 1.00 0.00 C ATOM 940 C SER A 66 -10.003 5.420 -1.627 1.00 0.00 C ATOM 941 O SER A 66 -8.812 5.512 -1.926 1.00 0.00 O ATOM 942 CB SER A 66 -11.615 7.395 -1.536 1.00 0.00 C ATOM 943 OG SER A 66 -10.944 8.461 -2.197 1.00 0.00 O ATOM 0 H SER A 66 -8.792 7.361 -0.735 1.00 0.00 H new ATOM 0 HA SER A 66 -11.277 5.972 -0.005 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.157 6.802 -2.273 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.356 7.809 -0.853 1.00 0.00 H new ATOM 0 HG SER A 66 -11.597 9.009 -2.680 1.00 0.00 H new ATOM 949 N GLY A 67 -10.747 4.409 -2.058 1.00 0.00 N ATOM 950 CA GLY A 67 -10.191 3.396 -2.934 1.00 0.00 C ATOM 951 C GLY A 67 -11.100 2.190 -2.997 1.00 0.00 C ATOM 952 O GLY A 67 -12.193 2.188 -2.430 1.00 0.00 O ATOM 0 H GLY A 67 -11.728 4.273 -1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.054 3.808 -3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.206 3.097 -2.575 1.00 0.00 H new ATOM 956 N PHE A 68 -10.638 1.155 -3.685 1.00 0.00 N ATOM 957 CA PHE A 68 -11.320 -0.113 -3.851 1.00 0.00 C ATOM 958 C PHE A 68 -10.338 -1.136 -3.314 1.00 0.00 C ATOM 959 O PHE A 68 -9.239 -1.241 -3.855 1.00 0.00 O ATOM 960 CB PHE A 68 -11.692 -0.281 -5.338 1.00 0.00 C ATOM 961 CG PHE A 68 -12.768 -1.279 -5.729 1.00 0.00 C ATOM 962 CD1 PHE A 68 -13.960 -1.333 -4.991 1.00 0.00 C ATOM 963 CD2 PHE A 68 -12.663 -2.055 -6.900 1.00 0.00 C ATOM 964 CE1 PHE A 68 -15.032 -2.138 -5.404 1.00 0.00 C ATOM 965 CE2 PHE A 68 -13.745 -2.844 -7.330 1.00 0.00 C ATOM 966 CZ PHE A 68 -14.933 -2.892 -6.582 1.00 0.00 C ATOM 0 H PHE A 68 -9.737 1.182 -4.162 1.00 0.00 H new ATOM 0 HA PHE A 68 -12.265 -0.211 -3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.001 0.696 -5.710 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.783 -0.553 -5.874 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -14.054 -0.745 -4.090 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -11.746 -2.044 -7.471 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.935 -2.177 -4.813 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -13.662 -3.417 -8.242 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.761 -3.503 -6.911 1.00 0.00 H new ATOM 976 N SER A 69 -10.686 -1.800 -2.208 1.00 0.00 N ATOM 977 CA SER A 69 -9.829 -2.809 -1.590 1.00 0.00 C ATOM 978 C SER A 69 -10.580 -4.115 -1.424 1.00 0.00 C ATOM 979 O SER A 69 -11.302 -4.301 -0.451 1.00 0.00 O ATOM 980 CB SER A 69 -9.227 -2.355 -0.264 1.00 0.00 C ATOM 981 OG SER A 69 -8.172 -1.460 -0.525 1.00 0.00 O ATOM 0 H SER A 69 -11.569 -1.652 -1.719 1.00 0.00 H new ATOM 0 HA SER A 69 -8.990 -2.964 -2.268 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.988 -1.872 0.350 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.862 -3.214 0.298 1.00 0.00 H new ATOM 0 HG SER A 69 -8.398 -0.575 -0.169 1.00 0.00 H new ATOM 987 N GLY A 70 -10.423 -4.999 -2.403 1.00 0.00 N ATOM 988 CA GLY A 70 -10.999 -6.320 -2.412 1.00 0.00 C ATOM 989 C GLY A 70 -12.070 -6.360 -3.489 1.00 0.00 C ATOM 990 O GLY A 70 -11.716 -6.418 -4.668 1.00 0.00 O ATOM 0 H GLY A 70 -9.870 -4.799 -3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.232 -7.069 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.429 -6.554 -1.438 1.00 0.00 H new ATOM 994 N CYS A 71 -13.354 -6.272 -3.125 1.00 0.00 N ATOM 995 CA CYS A 71 -14.433 -5.968 -4.065 1.00 0.00 C ATOM 996 C CYS A 71 -15.434 -4.983 -3.458 1.00 0.00 C ATOM 997 O CYS A 71 -16.636 -5.002 -3.747 1.00 0.00 O ATOM 998 CB CYS A 71 -15.144 -7.243 -4.480 1.00 0.00 C ATOM 999 SG CYS A 71 -15.678 -7.200 -6.214 1.00 0.00 S ATOM 0 H CYS A 71 -13.673 -6.411 -2.166 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.990 -5.503 -4.946 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.479 -8.093 -4.328 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -16.012 -7.398 -3.839 1.00 0.00 H new ATOM 1004 N ASN A 72 -14.958 -4.186 -2.518 1.00 0.00 N ATOM 1005 CA ASN A 72 -15.706 -3.305 -1.664 1.00 0.00 C ATOM 1006 C ASN A 72 -14.844 -2.056 -1.560 1.00 0.00 C ATOM 1007 O ASN A 72 -13.631 -2.124 -1.328 1.00 0.00 O ATOM 1008 CB ASN A 72 -15.887 -3.933 -0.282 1.00 0.00 C ATOM 1009 CG ASN A 72 -16.255 -5.411 -0.331 1.00 0.00 C ATOM 1010 OD1 ASN A 72 -15.411 -6.299 -0.272 1.00 0.00 O ATOM 1011 ND2 ASN A 72 -17.507 -5.712 -0.607 1.00 0.00 N ATOM 0 H ASN A 72 -13.958 -4.141 -2.324 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.703 -3.096 -2.053 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -14.964 -3.815 0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.664 -3.391 0.256 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.774 -6.683 -0.771 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -18.210 -4.974 -0.656 1.00 0.00 H new ATOM 1018 N ARG A 73 -15.442 -0.901 -1.823 1.00 0.00 N ATOM 1019 CA ARG A 73 -14.771 0.383 -1.668 1.00 0.00 C ATOM 1020 C ARG A 73 -14.625 0.725 -0.203 1.00 0.00 C ATOM 1021 O ARG A 73 -15.540 0.480 0.584 1.00 0.00 O ATOM 1022 CB ARG A 73 -15.481 1.533 -2.392 1.00 0.00 C ATOM 1023 CG ARG A 73 -16.346 1.075 -3.563 1.00 0.00 C ATOM 1024 CD ARG A 73 -16.601 2.150 -4.612 1.00 0.00 C ATOM 1025 NE ARG A 73 -15.572 2.128 -5.662 1.00 0.00 N ATOM 1026 CZ ARG A 73 -14.574 2.986 -5.874 1.00 0.00 C ATOM 1027 NH1 ARG A 73 -14.409 4.062 -5.112 1.00 0.00 N ATOM 1028 NH2 ARG A 73 -13.738 2.744 -6.872 1.00 0.00 N ATOM 0 H ARG A 73 -16.406 -0.828 -2.150 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.791 0.270 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.105 2.071 -1.678 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.734 2.238 -2.757 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.866 0.222 -4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -17.304 0.726 -3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.583 1.998 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.616 3.130 -4.135 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.630 1.349 -6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.054 4.247 -4.344 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.637 4.703 -5.295 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.867 1.918 -7.456 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.966 3.384 -7.057 1.00 0.00 H new ATOM 1042 N TYR A 74 -13.543 1.423 0.098 1.00 0.00 N ATOM 1043 CA TYR A 74 -13.211 1.926 1.426 1.00 0.00 C ATOM 1044 C TYR A 74 -13.008 3.437 1.386 1.00 0.00 C ATOM 1045 O TYR A 74 -12.975 4.049 0.312 1.00 0.00 O ATOM 1046 CB TYR A 74 -11.992 1.202 2.022 1.00 0.00 C ATOM 1047 CG TYR A 74 -10.636 1.556 1.438 1.00 0.00 C ATOM 1048 CD1 TYR A 74 -10.290 1.107 0.150 1.00 0.00 C ATOM 1049 CD2 TYR A 74 -9.691 2.267 2.207 1.00 0.00 C ATOM 1050 CE1 TYR A 74 -9.002 1.339 -0.358 1.00 0.00 C ATOM 1051 CE2 TYR A 74 -8.392 2.480 1.710 1.00 0.00 C ATOM 1052 CZ TYR A 74 -8.036 1.990 0.435 1.00 0.00 C ATOM 1053 OH TYR A 74 -6.754 2.095 0.000 1.00 0.00 O ATOM 0 H TYR A 74 -12.842 1.666 -0.602 1.00 0.00 H new ATOM 0 HA TYR A 74 -14.051 1.715 2.087 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -11.965 1.406 3.092 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -12.143 0.129 1.905 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.018 0.582 -0.450 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.965 2.649 3.179 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.751 1.018 -1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.668 3.018 2.304 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.743 2.129 -0.979 1.00 0.00 H new ATOM 1063 N MET A 75 -12.919 4.041 2.569 1.00 0.00 N ATOM 1064 CA MET A 75 -12.661 5.453 2.788 1.00 0.00 C ATOM 1065 C MET A 75 -12.176 5.659 4.226 1.00 0.00 C ATOM 1066 O MET A 75 -12.316 4.755 5.051 1.00 0.00 O ATOM 1067 CB MET A 75 -13.948 6.255 2.524 1.00 0.00 C ATOM 1068 CG MET A 75 -15.103 5.896 3.479 1.00 0.00 C ATOM 1069 SD MET A 75 -16.672 5.471 2.679 1.00 0.00 S ATOM 1070 CE MET A 75 -16.262 3.810 2.091 1.00 0.00 C ATOM 0 H MET A 75 -13.032 3.527 3.443 1.00 0.00 H new ATOM 0 HA MET A 75 -11.888 5.804 2.104 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.729 7.319 2.615 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.270 6.083 1.497 1.00 0.00 H new ATOM 0 HG2 MET A 75 -14.791 5.055 4.098 1.00 0.00 H new ATOM 0 HG3 MET A 75 -15.273 6.739 4.149 1.00 0.00 H new ATOM 0 HE1 MET A 75 -17.165 3.200 2.064 1.00 0.00 H new ATOM 0 HE2 MET A 75 -15.837 3.873 1.089 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.537 3.354 2.765 1.00 0.00 H new ATOM 1080 N GLY A 76 -11.679 6.854 4.547 1.00 0.00 N ATOM 1081 CA GLY A 76 -11.436 7.339 5.905 1.00 0.00 C ATOM 1082 C GLY A 76 -10.369 8.429 5.890 1.00 0.00 C ATOM 1083 O GLY A 76 -9.794 8.712 4.841 1.00 0.00 O ATOM 0 H GLY A 76 -11.424 7.540 3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.360 7.730 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.116 6.515 6.542 1.00 0.00 H new ATOM 1087 N SER A 77 -10.113 9.076 7.024 1.00 0.00 N ATOM 1088 CA SER A 77 -9.161 10.176 7.095 1.00 0.00 C ATOM 1089 C SER A 77 -7.721 9.654 7.153 1.00 0.00 C ATOM 1090 O SER A 77 -7.499 8.476 7.455 1.00 0.00 O ATOM 1091 CB SER A 77 -9.514 11.077 8.283 1.00 0.00 C ATOM 1092 OG SER A 77 -9.589 10.363 9.508 1.00 0.00 O ATOM 0 H SER A 77 -10.558 8.853 7.914 1.00 0.00 H new ATOM 0 HA SER A 77 -9.227 10.778 6.189 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.766 11.865 8.371 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.470 11.565 8.092 1.00 0.00 H new ATOM 0 HG SER A 77 -9.815 10.982 10.234 1.00 0.00 H new ATOM 1098 N TYR A 78 -6.740 10.530 6.922 1.00 0.00 N ATOM 1099 CA TYR A 78 -5.323 10.208 7.093 1.00 0.00 C ATOM 1100 C TYR A 78 -4.555 11.376 7.713 1.00 0.00 C ATOM 1101 O TYR A 78 -5.124 12.444 7.951 1.00 0.00 O ATOM 1102 CB TYR A 78 -4.722 9.737 5.761 1.00 0.00 C ATOM 1103 CG TYR A 78 -4.724 10.768 4.650 1.00 0.00 C ATOM 1104 CD1 TYR A 78 -3.654 11.673 4.502 1.00 0.00 C ATOM 1105 CD2 TYR A 78 -5.807 10.810 3.755 1.00 0.00 C ATOM 1106 CE1 TYR A 78 -3.692 12.659 3.500 1.00 0.00 C ATOM 1107 CE2 TYR A 78 -5.846 11.780 2.741 1.00 0.00 C ATOM 1108 CZ TYR A 78 -4.811 12.732 2.635 1.00 0.00 C ATOM 1109 OH TYR A 78 -4.969 13.743 1.745 1.00 0.00 O ATOM 0 H TYR A 78 -6.908 11.486 6.610 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.232 9.382 7.799 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.695 9.419 5.937 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.274 8.860 5.422 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.801 11.609 5.161 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.611 10.095 3.848 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.874 13.355 3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.669 11.797 2.042 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.332 14.460 1.947 1.00 0.00 H new ATOM 1119 N ALA A 79 -3.272 11.161 8.022 1.00 0.00 N ATOM 1120 CA ALA A 79 -2.336 12.167 8.508 1.00 0.00 C ATOM 1121 C ALA A 79 -0.906 11.724 8.174 1.00 0.00 C ATOM 1122 O ALA A 79 -0.629 10.522 8.143 1.00 0.00 O ATOM 1123 CB ALA A 79 -2.489 12.307 10.027 1.00 0.00 C ATOM 0 H ALA A 79 -2.844 10.239 7.935 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.542 13.126 8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.791 13.059 10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.508 12.612 10.263 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.277 11.350 10.504 1.00 0.00 H new ATOM 1129 N LEU A 80 0.013 12.674 7.974 1.00 0.00 N ATOM 1130 CA LEU A 80 1.417 12.399 7.662 1.00 0.00 C ATOM 1131 C LEU A 80 2.268 12.777 8.860 1.00 0.00 C ATOM 1132 O LEU A 80 2.144 13.892 9.375 1.00 0.00 O ATOM 1133 CB LEU A 80 1.919 13.188 6.436 1.00 0.00 C ATOM 1134 CG LEU A 80 1.278 12.864 5.073 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.992 11.377 4.869 1.00 0.00 C ATOM 1136 CD2 LEU A 80 0.023 13.694 4.870 1.00 0.00 C ATOM 0 H LEU A 80 -0.202 13.670 8.025 1.00 0.00 H new ATOM 0 HA LEU A 80 1.498 11.337 7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.770 14.249 6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.994 13.028 6.349 1.00 0.00 H new ATOM 0 HG LEU A 80 2.013 13.130 4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.541 11.224 3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.924 10.815 4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.306 11.029 5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.419 13.455 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.693 13.471 5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.279 14.753 4.900 1.00 0.00 H new ATOM 1148 N LYS A 81 3.119 11.858 9.306 1.00 0.00 N ATOM 1149 CA LYS A 81 4.115 12.040 10.349 1.00 0.00 C ATOM 1150 C LYS A 81 5.117 10.901 10.280 1.00 0.00 C ATOM 1151 O LYS A 81 4.805 9.851 9.724 1.00 0.00 O ATOM 1152 CB LYS A 81 3.417 12.078 11.712 1.00 0.00 C ATOM 1153 CG LYS A 81 2.552 10.842 12.032 1.00 0.00 C ATOM 1154 CD LYS A 81 1.402 11.196 12.979 1.00 0.00 C ATOM 1155 CE LYS A 81 0.358 12.027 12.221 1.00 0.00 C ATOM 1156 NZ LYS A 81 -0.792 12.382 13.068 1.00 0.00 N ATOM 0 H LYS A 81 3.130 10.912 8.925 1.00 0.00 H new ATOM 0 HA LYS A 81 4.647 12.981 10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.174 12.185 12.489 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.787 12.966 11.757 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.150 10.428 11.107 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.173 10.068 12.484 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.945 10.287 13.371 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.779 11.757 13.834 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.824 12.937 11.845 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.009 11.466 11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.446 12.985 12.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.285 11.516 13.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.459 12.897 13.908 1.00 0.00 H new ATOM 1170 N ASP A 82 6.282 11.078 10.897 1.00 0.00 N ATOM 1171 CA ASP A 82 7.355 10.104 11.069 1.00 0.00 C ATOM 1172 C ASP A 82 7.819 9.423 9.773 1.00 0.00 C ATOM 1173 O ASP A 82 8.379 8.327 9.831 1.00 0.00 O ATOM 1174 CB ASP A 82 7.022 9.054 12.137 1.00 0.00 C ATOM 1175 CG ASP A 82 6.241 9.526 13.354 1.00 0.00 C ATOM 1176 OD1 ASP A 82 6.743 10.382 14.116 1.00 0.00 O ATOM 1177 OD2 ASP A 82 5.148 8.970 13.584 1.00 0.00 O ATOM 0 H ASP A 82 6.518 11.975 11.322 1.00 0.00 H new ATOM 0 HA ASP A 82 8.199 10.702 11.414 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.454 8.255 11.660 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.958 8.617 12.485 1.00 0.00 H new ATOM 1182 N GLY A 83 7.598 10.027 8.601 1.00 0.00 N ATOM 1183 CA GLY A 83 7.915 9.392 7.330 1.00 0.00 C ATOM 1184 C GLY A 83 6.899 8.329 6.926 1.00 0.00 C ATOM 1185 O GLY A 83 7.172 7.587 5.982 1.00 0.00 O ATOM 0 H GLY A 83 7.198 10.961 8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.965 10.154 6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.903 8.937 7.394 1.00 0.00 H new ATOM 1189 N LYS A 84 5.735 8.259 7.583 1.00 0.00 N ATOM 1190 CA LYS A 84 4.661 7.310 7.309 1.00 0.00 C ATOM 1191 C LYS A 84 3.324 8.001 7.047 1.00 0.00 C ATOM 1192 O LYS A 84 3.179 9.214 7.229 1.00 0.00 O ATOM 1193 CB LYS A 84 4.602 6.252 8.418 1.00 0.00 C ATOM 1194 CG LYS A 84 4.247 6.777 9.814 1.00 0.00 C ATOM 1195 CD LYS A 84 4.063 5.628 10.814 1.00 0.00 C ATOM 1196 CE LYS A 84 3.968 6.118 12.263 1.00 0.00 C ATOM 1197 NZ LYS A 84 5.284 6.183 12.928 1.00 0.00 N ATOM 0 H LYS A 84 5.511 8.891 8.352 1.00 0.00 H new ATOM 0 HA LYS A 84 4.885 6.790 6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.869 5.496 8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.570 5.753 8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.035 7.444 10.165 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.331 7.365 9.761 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.159 5.073 10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.899 4.934 10.723 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.508 7.106 12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.313 5.452 12.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.351 5.428 13.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.037 6.059 12.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.393 7.107 13.392 1.00 0.00 H new ATOM 1211 N LEU A 85 2.350 7.208 6.609 1.00 0.00 N ATOM 1212 CA LEU A 85 0.959 7.608 6.370 1.00 0.00 C ATOM 1213 C LEU A 85 0.111 6.946 7.439 1.00 0.00 C ATOM 1214 O LEU A 85 -0.169 5.756 7.350 1.00 0.00 O ATOM 1215 CB LEU A 85 0.499 7.190 4.964 1.00 0.00 C ATOM 1216 CG LEU A 85 -0.999 7.424 4.660 1.00 0.00 C ATOM 1217 CD1 LEU A 85 -1.365 8.903 4.615 1.00 0.00 C ATOM 1218 CD2 LEU A 85 -1.335 6.856 3.282 1.00 0.00 C ATOM 0 H LEU A 85 2.512 6.223 6.400 1.00 0.00 H new ATOM 0 HA LEU A 85 0.860 8.692 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.091 7.736 4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.719 6.131 4.828 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.554 6.936 5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.428 9.008 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.144 9.362 5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.785 9.398 3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.391 7.021 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.729 7.355 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.125 5.787 3.268 1.00 0.00 H new ATOM 1230 N SER A 86 -0.253 7.689 8.476 1.00 0.00 N ATOM 1231 CA SER A 86 -1.208 7.173 9.446 1.00 0.00 C ATOM 1232 C SER A 86 -2.607 7.318 8.854 1.00 0.00 C ATOM 1233 O SER A 86 -2.854 8.234 8.064 1.00 0.00 O ATOM 1234 CB SER A 86 -1.135 7.963 10.750 1.00 0.00 C ATOM 1235 OG SER A 86 0.202 8.267 11.107 1.00 0.00 O ATOM 0 H SER A 86 0.090 8.631 8.665 1.00 0.00 H new ATOM 0 HA SER A 86 -0.978 6.130 9.662 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.703 8.888 10.647 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.603 7.389 11.550 1.00 0.00 H new ATOM 0 HG SER A 86 0.209 8.774 11.945 1.00 0.00 H new ATOM 1241 N PHE A 87 -3.543 6.499 9.320 1.00 0.00 N ATOM 1242 CA PHE A 87 -4.948 6.605 8.966 1.00 0.00 C ATOM 1243 C PHE A 87 -5.782 6.830 10.223 1.00 0.00 C ATOM 1244 O PHE A 87 -5.349 6.538 11.341 1.00 0.00 O ATOM 1245 CB PHE A 87 -5.410 5.380 8.176 1.00 0.00 C ATOM 1246 CG PHE A 87 -4.747 5.224 6.818 1.00 0.00 C ATOM 1247 CD1 PHE A 87 -5.300 5.867 5.692 1.00 0.00 C ATOM 1248 CD2 PHE A 87 -3.596 4.425 6.668 1.00 0.00 C ATOM 1249 CE1 PHE A 87 -4.750 5.655 4.416 1.00 0.00 C ATOM 1250 CE2 PHE A 87 -3.028 4.241 5.393 1.00 0.00 C ATOM 1251 CZ PHE A 87 -3.637 4.814 4.263 1.00 0.00 C ATOM 0 H PHE A 87 -3.341 5.733 9.963 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.088 7.466 8.313 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.214 4.486 8.768 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.489 5.439 8.036 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.149 6.524 5.810 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.150 3.954 7.531 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.184 6.139 3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.124 3.660 5.283 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.248 4.607 3.277 1.00 0.00 H new ATOM 1261 N GLY A 88 -6.985 7.364 10.037 1.00 0.00 N ATOM 1262 CA GLY A 88 -8.002 7.485 11.066 1.00 0.00 C ATOM 1263 C GLY A 88 -8.860 6.226 11.087 1.00 0.00 C ATOM 1264 O GLY A 88 -8.427 5.155 10.652 1.00 0.00 O ATOM 0 H GLY A 88 -7.285 7.735 9.135 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.533 7.634 12.039 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.625 8.359 10.875 1.00 0.00 H new ATOM 1268 N THR A 89 -10.084 6.375 11.590 1.00 0.00 N ATOM 1269 CA THR A 89 -11.155 5.401 11.454 1.00 0.00 C ATOM 1270 C THR A 89 -11.504 5.249 9.971 1.00 0.00 C ATOM 1271 O THR A 89 -12.236 6.065 9.408 1.00 0.00 O ATOM 1272 CB THR A 89 -12.346 5.860 12.316 1.00 0.00 C ATOM 1273 OG1 THR A 89 -11.950 5.827 13.674 1.00 0.00 O ATOM 1274 CG2 THR A 89 -13.590 4.991 12.140 1.00 0.00 C ATOM 0 H THR A 89 -10.362 7.202 12.118 1.00 0.00 H new ATOM 0 HA THR A 89 -10.855 4.416 11.812 1.00 0.00 H new ATOM 0 HB THR A 89 -12.616 6.866 11.994 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.696 6.118 14.239 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.391 5.369 12.775 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.909 5.019 11.098 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.359 3.963 12.421 1.00 0.00 H new ATOM 1282 N LEU A 90 -10.925 4.250 9.319 1.00 0.00 N ATOM 1283 CA LEU A 90 -11.280 3.767 7.998 1.00 0.00 C ATOM 1284 C LEU A 90 -12.514 2.865 8.069 1.00 0.00 C ATOM 1285 O LEU A 90 -13.000 2.533 9.152 1.00 0.00 O ATOM 1286 CB LEU A 90 -10.074 2.973 7.475 1.00 0.00 C ATOM 1287 CG LEU A 90 -8.826 3.847 7.244 1.00 0.00 C ATOM 1288 CD1 LEU A 90 -7.558 3.008 7.291 1.00 0.00 C ATOM 1289 CD2 LEU A 90 -8.905 4.556 5.903 1.00 0.00 C ATOM 0 H LEU A 90 -10.149 3.726 9.725 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.520 4.598 7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.830 2.184 8.186 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.346 2.485 6.539 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.794 4.588 8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.692 3.648 7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.474 2.530 8.267 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.598 2.244 6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.014 5.167 5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.969 3.817 5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.789 5.193 5.880 1.00 0.00 H new ATOM 1301 N GLY A 91 -12.990 2.437 6.902 1.00 0.00 N ATOM 1302 CA GLY A 91 -13.990 1.395 6.747 1.00 0.00 C ATOM 1303 C GLY A 91 -14.632 1.487 5.367 1.00 0.00 C ATOM 1304 O GLY A 91 -14.328 2.400 4.593 1.00 0.00 O ATOM 0 H GLY A 91 -12.677 2.822 6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.530 0.416 6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.753 1.494 7.519 1.00 0.00 H new ATOM 1308 N GLY A 92 -15.535 0.560 5.053 1.00 0.00 N ATOM 1309 CA GLY A 92 -16.323 0.563 3.833 1.00 0.00 C ATOM 1310 C GLY A 92 -17.670 -0.104 4.073 1.00 0.00 C ATOM 1311 O GLY A 92 -18.345 0.274 5.032 1.00 0.00 O ATOM 0 H GLY A 92 -15.740 -0.233 5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -16.472 1.587 3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.785 0.038 3.043 1.00 0.00 H new ATOM 1315 N THR A 93 -18.102 -1.023 3.208 1.00 0.00 N ATOM 1316 CA THR A 93 -19.417 -1.667 3.217 1.00 0.00 C ATOM 1317 C THR A 93 -19.314 -3.131 2.788 1.00 0.00 C ATOM 1318 O THR A 93 -18.402 -3.539 2.071 1.00 0.00 O ATOM 1319 CB THR A 93 -20.367 -0.906 2.271 1.00 0.00 C ATOM 1320 OG1 THR A 93 -19.731 -0.574 1.053 1.00 0.00 O ATOM 1321 CG2 THR A 93 -20.838 0.413 2.873 1.00 0.00 C ATOM 0 H THR A 93 -17.514 -1.355 2.443 1.00 0.00 H new ATOM 0 HA THR A 93 -19.811 -1.640 4.233 1.00 0.00 H new ATOM 0 HB THR A 93 -21.208 -1.580 2.108 1.00 0.00 H new ATOM 0 HG1 THR A 93 -20.361 -0.094 0.475 1.00 0.00 H new ATOM 0 HG21 THR A 93 -21.505 0.915 2.172 1.00 0.00 H new ATOM 0 HG22 THR A 93 -21.370 0.219 3.804 1.00 0.00 H new ATOM 0 HG23 THR A 93 -19.976 1.050 3.073 1.00 0.00 H new ATOM 1329 N ARG A 94 -20.286 -3.947 3.204 1.00 0.00 N ATOM 1330 CA ARG A 94 -20.152 -5.402 3.179 1.00 0.00 C ATOM 1331 C ARG A 94 -20.950 -5.940 2.004 1.00 0.00 C ATOM 1332 O ARG A 94 -21.927 -6.683 2.157 1.00 0.00 O ATOM 1333 CB ARG A 94 -20.474 -6.052 4.538 1.00 0.00 C ATOM 1334 CG ARG A 94 -19.698 -5.429 5.713 1.00 0.00 C ATOM 1335 CD ARG A 94 -20.489 -4.297 6.371 1.00 0.00 C ATOM 1336 NE ARG A 94 -19.843 -3.801 7.593 1.00 0.00 N ATOM 1337 CZ ARG A 94 -20.400 -2.954 8.463 1.00 0.00 C ATOM 1338 NH1 ARG A 94 -21.572 -2.387 8.190 1.00 0.00 N ATOM 1339 NH2 ARG A 94 -19.779 -2.686 9.602 1.00 0.00 N ATOM 0 H ARG A 94 -21.182 -3.618 3.565 1.00 0.00 H new ATOM 0 HA ARG A 94 -19.110 -5.679 3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -21.543 -5.963 4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -20.247 -7.117 4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.478 -6.198 6.453 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -18.742 -5.046 5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -20.601 -3.476 5.663 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -21.492 -4.650 6.611 1.00 0.00 H new ATOM 0 HE ARG A 94 -18.898 -4.128 7.793 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -22.049 -2.598 7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.994 -1.741 8.857 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.882 -3.125 9.809 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.198 -2.040 10.271 1.00 0.00 H new ATOM 1353 N MET A 95 -20.553 -5.512 0.809 1.00 0.00 N ATOM 1354 CA MET A 95 -21.023 -6.126 -0.425 1.00 0.00 C ATOM 1355 C MET A 95 -20.377 -7.518 -0.540 1.00 0.00 C ATOM 1356 O MET A 95 -19.515 -7.870 0.274 1.00 0.00 O ATOM 1357 CB MET A 95 -20.714 -5.207 -1.621 1.00 0.00 C ATOM 1358 CG MET A 95 -21.153 -3.756 -1.392 1.00 0.00 C ATOM 1359 SD MET A 95 -20.804 -2.681 -2.807 1.00 0.00 S ATOM 1360 CE MET A 95 -19.403 -1.748 -2.138 1.00 0.00 C ATOM 0 H MET A 95 -19.903 -4.738 0.671 1.00 0.00 H new ATOM 0 HA MET A 95 -22.105 -6.257 -0.420 1.00 0.00 H new ATOM 0 HB2 MET A 95 -19.643 -5.229 -1.822 1.00 0.00 H new ATOM 0 HB3 MET A 95 -21.213 -5.596 -2.509 1.00 0.00 H new ATOM 0 HG2 MET A 95 -22.222 -3.734 -1.181 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.646 -3.363 -0.510 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.758 -1.424 -2.955 1.00 0.00 H new ATOM 0 HE2 MET A 95 -19.771 -0.876 -1.598 1.00 0.00 H new ATOM 0 HE3 MET A 95 -18.835 -2.382 -1.458 1.00 0.00 H new ATOM 1370 N ALA A 96 -20.787 -8.331 -1.515 1.00 0.00 N ATOM 1371 CA ALA A 96 -20.300 -9.700 -1.652 1.00 0.00 C ATOM 1372 C ALA A 96 -19.877 -9.975 -3.087 1.00 0.00 C ATOM 1373 O ALA A 96 -20.696 -9.780 -3.983 1.00 0.00 O ATOM 1374 CB ALA A 96 -21.395 -10.668 -1.205 1.00 0.00 C ATOM 0 H ALA A 96 -21.463 -8.058 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 96 -19.423 -9.841 -1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -21.038 -11.693 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -21.650 -10.473 -0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -22.279 -10.530 -1.827 1.00 0.00 H new ATOM 1380 N CYS A 97 -18.635 -10.420 -3.315 1.00 0.00 N ATOM 1381 CA CYS A 97 -18.137 -10.823 -4.638 1.00 0.00 C ATOM 1382 C CYS A 97 -17.721 -12.291 -4.699 1.00 0.00 C ATOM 1383 O CYS A 97 -17.146 -12.670 -5.710 1.00 0.00 O ATOM 1384 CB CYS A 97 -17.004 -9.888 -5.132 1.00 0.00 C ATOM 1385 SG CYS A 97 -17.641 -8.406 -5.969 1.00 0.00 S ATOM 0 H CYS A 97 -17.938 -10.512 -2.576 1.00 0.00 H new ATOM 0 HA CYS A 97 -18.978 -10.717 -5.323 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -16.390 -9.587 -4.283 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -16.356 -10.437 -5.815 1.00 0.00 H new ATOM 1390 N MET A 98 -17.979 -13.118 -3.675 1.00 0.00 N ATOM 1391 CA MET A 98 -17.748 -14.577 -3.652 1.00 0.00 C ATOM 1392 C MET A 98 -16.384 -15.001 -4.227 1.00 0.00 C ATOM 1393 O MET A 98 -16.280 -15.982 -4.965 1.00 0.00 O ATOM 1394 CB MET A 98 -18.934 -15.334 -4.295 1.00 0.00 C ATOM 1395 CG MET A 98 -19.197 -15.006 -5.770 1.00 0.00 C ATOM 1396 SD MET A 98 -20.557 -15.901 -6.566 1.00 0.00 S ATOM 1397 CE MET A 98 -21.990 -15.131 -5.779 1.00 0.00 C ATOM 0 H MET A 98 -18.373 -12.776 -2.798 1.00 0.00 H new ATOM 0 HA MET A 98 -17.700 -14.868 -2.603 1.00 0.00 H new ATOM 0 HB2 MET A 98 -18.752 -16.405 -4.205 1.00 0.00 H new ATOM 0 HB3 MET A 98 -19.836 -15.115 -3.724 1.00 0.00 H new ATOM 0 HG2 MET A 98 -19.397 -13.938 -5.852 1.00 0.00 H new ATOM 0 HG3 MET A 98 -18.284 -15.203 -6.332 1.00 0.00 H new ATOM 0 HE1 MET A 98 -22.904 -15.567 -6.182 1.00 0.00 H new ATOM 0 HE2 MET A 98 -21.950 -15.302 -4.703 1.00 0.00 H new ATOM 0 HE3 MET A 98 -21.982 -14.059 -5.977 1.00 0.00 H new ATOM 1407 N THR A 99 -15.328 -14.259 -3.913 1.00 0.00 N ATOM 1408 CA THR A 99 -14.034 -14.357 -4.577 1.00 0.00 C ATOM 1409 C THR A 99 -12.910 -14.187 -3.552 1.00 0.00 C ATOM 1410 O THR A 99 -13.094 -13.499 -2.540 1.00 0.00 O ATOM 1411 CB THR A 99 -13.905 -13.250 -5.640 1.00 0.00 C ATOM 1412 OG1 THR A 99 -14.572 -12.077 -5.222 1.00 0.00 O ATOM 1413 CG2 THR A 99 -14.474 -13.607 -7.011 1.00 0.00 C ATOM 0 H THR A 99 -15.349 -13.557 -3.173 1.00 0.00 H new ATOM 0 HA THR A 99 -13.958 -15.335 -5.051 1.00 0.00 H new ATOM 0 HB THR A 99 -12.829 -13.108 -5.742 1.00 0.00 H new ATOM 0 HG1 THR A 99 -15.493 -12.087 -5.557 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.337 -12.767 -7.692 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.954 -14.481 -7.404 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.537 -13.829 -6.917 1.00 0.00 H new ATOM 1421 N PRO A 100 -11.712 -14.714 -3.849 1.00 0.00 N ATOM 1422 CA PRO A 100 -10.546 -14.573 -2.993 1.00 0.00 C ATOM 1423 C PRO A 100 -10.016 -13.134 -3.022 1.00 0.00 C ATOM 1424 O PRO A 100 -9.606 -12.613 -1.982 1.00 0.00 O ATOM 1425 CB PRO A 100 -9.534 -15.577 -3.554 1.00 0.00 C ATOM 1426 CG PRO A 100 -9.860 -15.618 -5.041 1.00 0.00 C ATOM 1427 CD PRO A 100 -11.371 -15.424 -5.073 1.00 0.00 C ATOM 0 HA PRO A 100 -10.765 -14.773 -1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -8.508 -15.254 -3.377 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.644 -16.558 -3.092 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.342 -14.831 -5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.566 -16.566 -5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.672 -14.853 -5.952 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.886 -16.383 -5.124 1.00 0.00 H new ATOM 1435 N GLY A 101 -10.062 -12.466 -4.180 1.00 0.00 N ATOM 1436 CA GLY A 101 -9.704 -11.066 -4.304 1.00 0.00 C ATOM 1437 C GLY A 101 -10.844 -10.162 -3.855 1.00 0.00 C ATOM 1438 O GLY A 101 -10.629 -8.963 -3.819 1.00 0.00 O ATOM 0 H GLY A 101 -10.352 -12.894 -5.059 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.817 -10.861 -3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.448 -10.844 -5.340 1.00 0.00 H new ATOM 1442 N GLY A 102 -12.027 -10.676 -3.489 1.00 0.00 N ATOM 1443 CA GLY A 102 -13.083 -9.897 -2.865 1.00 0.00 C ATOM 1444 C GLY A 102 -12.906 -9.807 -1.360 1.00 0.00 C ATOM 1445 O GLY A 102 -12.753 -8.708 -0.832 1.00 0.00 O ATOM 0 H GLY A 102 -12.271 -11.657 -3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.093 -8.893 -3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.049 -10.349 -3.091 1.00 0.00 H new ATOM 1449 N GLN A 103 -12.923 -10.946 -0.663 1.00 0.00 N ATOM 1450 CA GLN A 103 -12.921 -10.967 0.801 1.00 0.00 C ATOM 1451 C GLN A 103 -11.659 -10.358 1.411 1.00 0.00 C ATOM 1452 O GLN A 103 -11.654 -10.023 2.596 1.00 0.00 O ATOM 1453 CB GLN A 103 -12.992 -12.405 1.304 1.00 0.00 C ATOM 1454 CG GLN A 103 -14.340 -13.098 1.129 1.00 0.00 C ATOM 1455 CD GLN A 103 -14.402 -14.240 2.138 1.00 0.00 C ATOM 1456 OE1 GLN A 103 -13.477 -15.045 2.217 1.00 0.00 O ATOM 1457 NE2 GLN A 103 -15.403 -14.277 2.998 1.00 0.00 N ATOM 0 H GLN A 103 -12.938 -11.871 -1.093 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.787 -10.377 1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.233 -12.990 0.786 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.734 -12.414 2.363 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.157 -12.395 1.294 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.447 -13.478 0.113 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -16.165 -13.604 2.923 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -15.414 -14.979 3.738 1.00 0.00 H new ATOM 1466 N ILE A 104 -10.588 -10.237 0.625 1.00 0.00 N ATOM 1467 CA ILE A 104 -9.314 -9.701 1.085 1.00 0.00 C ATOM 1468 C ILE A 104 -9.443 -8.242 1.571 1.00 0.00 C ATOM 1469 O ILE A 104 -8.515 -7.752 2.213 1.00 0.00 O ATOM 1470 CB ILE A 104 -8.228 -9.948 0.014 1.00 0.00 C ATOM 1471 CG1 ILE A 104 -6.825 -9.847 0.645 1.00 0.00 C ATOM 1472 CG2 ILE A 104 -8.399 -9.020 -1.199 1.00 0.00 C ATOM 1473 CD1 ILE A 104 -5.691 -10.401 -0.222 1.00 0.00 C ATOM 0 H ILE A 104 -10.585 -10.512 -0.357 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.986 -10.237 1.976 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.345 -10.962 -0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.616 -8.800 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -6.830 -10.380 1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -7.615 -9.226 -1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -9.374 -9.193 -1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.329 -7.982 -0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.743 -10.287 0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.870 -11.457 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.652 -9.854 -1.164 1.00 0.00 H new ATOM 1485 N GLU A 105 -10.600 -7.585 1.379 1.00 0.00 N ATOM 1486 CA GLU A 105 -10.974 -6.360 2.099 1.00 0.00 C ATOM 1487 C GLU A 105 -10.662 -6.483 3.596 1.00 0.00 C ATOM 1488 O GLU A 105 -9.998 -5.612 4.164 1.00 0.00 O ATOM 1489 CB GLU A 105 -12.475 -6.066 1.888 1.00 0.00 C ATOM 1490 CG GLU A 105 -12.891 -4.699 2.492 1.00 0.00 C ATOM 1491 CD GLU A 105 -13.612 -4.725 3.857 1.00 0.00 C ATOM 1492 OE1 GLU A 105 -13.479 -5.701 4.633 1.00 0.00 O ATOM 1493 OE2 GLU A 105 -14.287 -3.709 4.172 1.00 0.00 O ATOM 0 H GLU A 105 -11.307 -7.894 0.712 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.386 -5.533 1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.699 -6.074 0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -13.067 -6.859 2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.995 -4.087 2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.540 -4.196 1.776 1.00 0.00 H new ATOM 1500 N GLY A 106 -11.080 -7.591 4.216 1.00 0.00 N ATOM 1501 CA GLY A 106 -10.944 -7.819 5.642 1.00 0.00 C ATOM 1502 C GLY A 106 -9.484 -7.739 6.063 1.00 0.00 C ATOM 1503 O GLY A 106 -9.130 -6.974 6.967 1.00 0.00 O ATOM 0 H GLY A 106 -11.529 -8.363 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.527 -7.079 6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.349 -8.798 5.899 1.00 0.00 H new ATOM 1507 N ALA A 107 -8.634 -8.503 5.373 1.00 0.00 N ATOM 1508 CA ALA A 107 -7.203 -8.529 5.614 1.00 0.00 C ATOM 1509 C ALA A 107 -6.588 -7.150 5.360 1.00 0.00 C ATOM 1510 O ALA A 107 -5.729 -6.706 6.127 1.00 0.00 O ATOM 1511 CB ALA A 107 -6.556 -9.591 4.715 1.00 0.00 C ATOM 0 H ALA A 107 -8.932 -9.127 4.623 1.00 0.00 H new ATOM 0 HA ALA A 107 -7.018 -8.786 6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -5.481 -9.613 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -6.982 -10.568 4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.745 -9.347 3.670 1.00 0.00 H new ATOM 1517 N TYR A 108 -6.982 -6.492 4.266 1.00 0.00 N ATOM 1518 CA TYR A 108 -6.404 -5.237 3.812 1.00 0.00 C ATOM 1519 C TYR A 108 -6.625 -4.154 4.860 1.00 0.00 C ATOM 1520 O TYR A 108 -5.673 -3.468 5.233 1.00 0.00 O ATOM 1521 CB TYR A 108 -6.999 -4.832 2.458 1.00 0.00 C ATOM 1522 CG TYR A 108 -6.320 -3.629 1.824 1.00 0.00 C ATOM 1523 CD1 TYR A 108 -6.696 -2.314 2.171 1.00 0.00 C ATOM 1524 CD2 TYR A 108 -5.286 -3.832 0.891 1.00 0.00 C ATOM 1525 CE1 TYR A 108 -6.044 -1.215 1.580 1.00 0.00 C ATOM 1526 CE2 TYR A 108 -4.628 -2.737 0.305 1.00 0.00 C ATOM 1527 CZ TYR A 108 -5.008 -1.422 0.644 1.00 0.00 C ATOM 1528 OH TYR A 108 -4.404 -0.361 0.053 1.00 0.00 O ATOM 0 H TYR A 108 -7.730 -6.831 3.661 1.00 0.00 H new ATOM 0 HA TYR A 108 -5.330 -5.367 3.677 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -6.931 -5.678 1.774 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.059 -4.612 2.589 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -7.485 -2.150 2.891 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.996 -4.837 0.623 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.338 -0.210 1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.831 -2.903 -0.405 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.473 -0.587 -0.151 1.00 0.00 H new ATOM 1538 N LEU A 109 -7.851 -4.005 5.368 1.00 0.00 N ATOM 1539 CA LEU A 109 -8.133 -3.052 6.436 1.00 0.00 C ATOM 1540 C LEU A 109 -7.304 -3.372 7.680 1.00 0.00 C ATOM 1541 O LEU A 109 -6.816 -2.455 8.335 1.00 0.00 O ATOM 1542 CB LEU A 109 -9.621 -3.070 6.798 1.00 0.00 C ATOM 1543 CG LEU A 109 -10.619 -2.554 5.747 1.00 0.00 C ATOM 1544 CD1 LEU A 109 -11.980 -2.465 6.438 1.00 0.00 C ATOM 1545 CD2 LEU A 109 -10.256 -1.190 5.140 1.00 0.00 C ATOM 0 H LEU A 109 -8.664 -4.535 5.054 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.865 -2.059 6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.894 -4.096 7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.753 -2.479 7.704 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.613 -3.248 4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -12.725 -2.102 5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -12.271 -3.452 6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.916 -1.777 7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.013 -0.904 4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.212 -0.440 5.930 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.285 -1.257 4.649 1.00 0.00 H new ATOM 1557 N ASN A 110 -7.095 -4.654 7.990 1.00 0.00 N ATOM 1558 CA ASN A 110 -6.303 -5.077 9.149 1.00 0.00 C ATOM 1559 C ASN A 110 -4.821 -4.722 9.039 1.00 0.00 C ATOM 1560 O ASN A 110 -4.086 -4.796 10.024 1.00 0.00 O ATOM 1561 CB ASN A 110 -6.397 -6.596 9.321 1.00 0.00 C ATOM 1562 CG ASN A 110 -6.567 -6.952 10.785 1.00 0.00 C ATOM 1563 OD1 ASN A 110 -7.503 -7.663 11.131 1.00 0.00 O ATOM 1564 ND2 ASN A 110 -5.705 -6.488 11.669 1.00 0.00 N ATOM 0 H ASN A 110 -7.470 -5.429 7.444 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.722 -4.542 10.001 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -7.239 -6.982 8.746 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.498 -7.069 8.927 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -5.812 -6.720 12.656 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -4.931 -5.897 11.365 1.00 0.00 H new ATOM 1571 N ALA A 111 -4.375 -4.412 7.828 1.00 0.00 N ATOM 1572 CA ALA A 111 -3.034 -3.954 7.527 1.00 0.00 C ATOM 1573 C ALA A 111 -2.969 -2.424 7.423 1.00 0.00 C ATOM 1574 O ALA A 111 -1.873 -1.884 7.317 1.00 0.00 O ATOM 1575 CB ALA A 111 -2.572 -4.651 6.243 1.00 0.00 C ATOM 0 H ALA A 111 -4.965 -4.477 6.999 1.00 0.00 H new ATOM 0 HA ALA A 111 -2.357 -4.217 8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.563 -4.323 5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.576 -5.731 6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.248 -4.396 5.427 1.00 0.00 H new ATOM 1581 N LEU A 112 -4.094 -1.698 7.462 1.00 0.00 N ATOM 1582 CA LEU A 112 -4.072 -0.231 7.511 1.00 0.00 C ATOM 1583 C LEU A 112 -3.888 0.285 8.944 1.00 0.00 C ATOM 1584 O LEU A 112 -3.595 1.463 9.146 1.00 0.00 O ATOM 1585 CB LEU A 112 -5.341 0.371 6.884 1.00 0.00 C ATOM 1586 CG LEU A 112 -5.465 0.173 5.361 1.00 0.00 C ATOM 1587 CD1 LEU A 112 -6.803 0.710 4.835 1.00 0.00 C ATOM 1588 CD2 LEU A 112 -4.351 0.890 4.598 1.00 0.00 C ATOM 0 H LEU A 112 -5.030 -2.103 7.461 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.213 0.093 6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.213 -0.072 7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.365 1.439 7.101 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.394 -0.902 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.859 0.555 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.623 0.182 5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.878 1.775 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.477 0.724 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.397 1.959 4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.384 0.499 4.914 1.00 0.00 H new ATOM 1600 N THR A 113 -4.045 -0.571 9.953 1.00 0.00 N ATOM 1601 CA THR A 113 -3.902 -0.221 11.360 1.00 0.00 C ATOM 1602 C THR A 113 -2.458 -0.329 11.873 1.00 0.00 C ATOM 1603 O THR A 113 -2.211 0.037 13.025 1.00 0.00 O ATOM 1604 CB THR A 113 -4.866 -1.108 12.184 1.00 0.00 C ATOM 1605 OG1 THR A 113 -5.085 -2.365 11.568 1.00 0.00 O ATOM 1606 CG2 THR A 113 -6.236 -0.449 12.367 1.00 0.00 C ATOM 0 H THR A 113 -4.281 -1.552 9.807 1.00 0.00 H new ATOM 0 HA THR A 113 -4.163 0.831 11.478 1.00 0.00 H new ATOM 0 HB THR A 113 -4.380 -1.241 13.151 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.770 -2.274 10.873 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.881 -1.106 12.951 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.116 0.500 12.890 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.688 -0.271 11.391 1.00 0.00 H new ATOM 1614 N HIS A 114 -1.509 -0.813 11.063 1.00 0.00 N ATOM 1615 CA HIS A 114 -0.148 -1.127 11.483 1.00 0.00 C ATOM 1616 C HIS A 114 0.825 -0.556 10.441 1.00 0.00 C ATOM 1617 O HIS A 114 1.318 -1.287 9.594 1.00 0.00 O ATOM 1618 CB HIS A 114 0.006 -2.656 11.620 1.00 0.00 C ATOM 1619 CG HIS A 114 -0.807 -3.342 12.698 1.00 0.00 C ATOM 1620 ND1 HIS A 114 -0.304 -3.959 13.824 1.00 0.00 N ATOM 1621 CD2 HIS A 114 -2.134 -3.670 12.620 1.00 0.00 C ATOM 1622 CE1 HIS A 114 -1.306 -4.622 14.420 1.00 0.00 C ATOM 1623 NE2 HIS A 114 -2.454 -4.460 13.736 1.00 0.00 N ATOM 0 H HIS A 114 -1.675 -1.000 10.074 1.00 0.00 H new ATOM 0 HA HIS A 114 0.073 -0.681 12.453 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.253 -3.108 10.663 1.00 0.00 H new ATOM 0 HB3 HIS A 114 1.058 -2.874 11.801 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.816 -3.373 11.837 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -1.206 -5.205 15.324 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -3.371 -4.835 13.979 1.00 0.00 H new ATOM 1631 N ILE A 115 1.100 0.746 10.466 1.00 0.00 N ATOM 1632 CA ILE A 115 1.881 1.464 9.449 1.00 0.00 C ATOM 1633 C ILE A 115 3.306 1.756 9.973 1.00 0.00 C ATOM 1634 O ILE A 115 3.875 2.822 9.734 1.00 0.00 O ATOM 1635 CB ILE A 115 1.104 2.733 9.006 1.00 0.00 C ATOM 1636 CG1 ILE A 115 -0.384 2.486 8.663 1.00 0.00 C ATOM 1637 CG2 ILE A 115 1.777 3.463 7.823 1.00 0.00 C ATOM 1638 CD1 ILE A 115 -0.639 1.438 7.571 1.00 0.00 C ATOM 0 H ILE A 115 0.777 1.355 11.218 1.00 0.00 H new ATOM 0 HA ILE A 115 2.012 0.847 8.560 1.00 0.00 H new ATOM 0 HB ILE A 115 1.136 3.369 9.891 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.902 2.175 9.570 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.829 3.430 8.349 1.00 0.00 H new ATOM 0 HG21 ILE A 115 1.190 4.342 7.556 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.782 3.771 8.110 1.00 0.00 H new ATOM 0 HG23 ILE A 115 1.834 2.792 6.966 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.712 1.339 7.405 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.156 1.752 6.646 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.230 0.478 7.886 1.00 0.00 H new ATOM 1650 N ASP A 116 3.900 0.855 10.758 1.00 0.00 N ATOM 1651 CA ASP A 116 5.084 1.193 11.562 1.00 0.00 C ATOM 1652 C ASP A 116 6.319 1.545 10.720 1.00 0.00 C ATOM 1653 O ASP A 116 7.183 2.315 11.149 1.00 0.00 O ATOM 1654 CB ASP A 116 5.407 0.063 12.538 1.00 0.00 C ATOM 1655 CG ASP A 116 5.777 0.651 13.908 1.00 0.00 C ATOM 1656 OD1 ASP A 116 6.900 1.176 14.072 1.00 0.00 O ATOM 1657 OD2 ASP A 116 4.907 0.673 14.813 1.00 0.00 O ATOM 0 H ASP A 116 3.585 -0.110 10.856 1.00 0.00 H new ATOM 0 HA ASP A 116 4.828 2.095 12.118 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.549 -0.602 12.637 1.00 0.00 H new ATOM 0 HB3 ASP A 116 6.232 -0.537 12.154 1.00 0.00 H new ATOM 1662 N ARG A 117 6.382 1.077 9.471 1.00 0.00 N ATOM 1663 CA ARG A 117 7.382 1.465 8.475 1.00 0.00 C ATOM 1664 C ARG A 117 6.668 1.977 7.226 1.00 0.00 C ATOM 1665 O ARG A 117 5.492 1.678 7.016 1.00 0.00 O ATOM 1666 CB ARG A 117 8.321 0.301 8.182 1.00 0.00 C ATOM 1667 CG ARG A 117 9.436 0.196 9.225 1.00 0.00 C ATOM 1668 CD ARG A 117 10.687 -0.440 8.620 1.00 0.00 C ATOM 1669 NE ARG A 117 11.336 0.467 7.655 1.00 0.00 N ATOM 1670 CZ ARG A 117 12.507 0.310 7.025 1.00 0.00 C ATOM 1671 NH1 ARG A 117 13.233 -0.799 7.117 1.00 0.00 N ATOM 1672 NH2 ARG A 117 12.962 1.292 6.264 1.00 0.00 N ATOM 0 H ARG A 117 5.714 0.394 9.114 1.00 0.00 H new ATOM 0 HA ARG A 117 8.005 2.273 8.859 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.753 -0.629 8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.760 0.428 7.192 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.676 1.188 9.608 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.093 -0.399 10.072 1.00 0.00 H new ATOM 0 HD2 ARG A 117 11.390 -0.693 9.414 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.419 -1.372 8.123 1.00 0.00 H new ATOM 0 HE ARG A 117 10.827 1.324 7.440 1.00 0.00 H new ATOM 0 HH11 ARG A 117 12.904 -1.578 7.687 1.00 0.00 H new ATOM 0 HH12 ARG A 117 14.120 -0.871 6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 117 12.423 2.152 6.164 1.00 0.00 H new ATOM 0 HH22 ARG A 117 13.852 1.189 5.777 1.00 0.00 H new ATOM 1686 N THR A 118 7.334 2.770 6.391 1.00 0.00 N ATOM 1687 CA THR A 118 6.774 3.249 5.121 1.00 0.00 C ATOM 1688 C THR A 118 7.890 3.603 4.128 1.00 0.00 C ATOM 1689 O THR A 118 8.743 4.447 4.407 1.00 0.00 O ATOM 1690 CB THR A 118 5.846 4.456 5.363 1.00 0.00 C ATOM 1691 OG1 THR A 118 4.715 4.097 6.128 1.00 0.00 O ATOM 1692 CG2 THR A 118 5.317 5.066 4.063 1.00 0.00 C ATOM 0 H THR A 118 8.281 3.102 6.573 1.00 0.00 H new ATOM 0 HA THR A 118 6.182 2.446 4.683 1.00 0.00 H new ATOM 0 HB THR A 118 6.465 5.182 5.891 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.702 3.125 6.256 1.00 0.00 H new ATOM 0 HG21 THR A 118 4.669 5.912 4.295 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.154 5.406 3.454 1.00 0.00 H new ATOM 0 HG23 THR A 118 4.750 4.315 3.513 1.00 0.00 H new ATOM 1700 N GLY A 119 7.835 2.996 2.943 1.00 0.00 N ATOM 1701 CA GLY A 119 8.646 3.276 1.773 1.00 0.00 C ATOM 1702 C GLY A 119 7.853 4.109 0.761 1.00 0.00 C ATOM 1703 O GLY A 119 6.738 3.757 0.382 1.00 0.00 O ATOM 0 H GLY A 119 7.171 2.241 2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.548 3.812 2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.967 2.341 1.313 1.00 0.00 H new ATOM 1707 N VAL A 120 8.422 5.195 0.248 1.00 0.00 N ATOM 1708 CA VAL A 120 7.991 5.831 -0.998 1.00 0.00 C ATOM 1709 C VAL A 120 9.238 6.211 -1.788 1.00 0.00 C ATOM 1710 O VAL A 120 10.221 6.700 -1.224 1.00 0.00 O ATOM 1711 CB VAL A 120 6.965 6.960 -0.775 1.00 0.00 C ATOM 1712 CG1 VAL A 120 7.361 7.868 0.380 1.00 0.00 C ATOM 1713 CG2 VAL A 120 6.736 7.770 -2.066 1.00 0.00 C ATOM 0 H VAL A 120 9.209 5.668 0.692 1.00 0.00 H new ATOM 0 HA VAL A 120 7.420 5.132 -1.608 1.00 0.00 H new ATOM 0 HB VAL A 120 6.021 6.486 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 120 6.611 8.649 0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 120 7.428 7.282 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 120 8.329 8.324 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 120 6.008 8.558 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 120 7.677 8.215 -2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 120 6.361 7.110 -2.848 1.00 0.00 H new ATOM 1723 N GLN A 121 9.203 5.986 -3.102 1.00 0.00 N ATOM 1724 CA GLN A 121 10.187 6.460 -4.062 1.00 0.00 C ATOM 1725 C GLN A 121 9.451 7.385 -5.021 1.00 0.00 C ATOM 1726 O GLN A 121 8.761 6.921 -5.929 1.00 0.00 O ATOM 1727 CB GLN A 121 10.910 5.309 -4.784 1.00 0.00 C ATOM 1728 CG GLN A 121 10.035 4.149 -5.253 1.00 0.00 C ATOM 1729 CD GLN A 121 10.457 3.545 -6.584 1.00 0.00 C ATOM 1730 OE1 GLN A 121 10.693 2.342 -6.700 1.00 0.00 O ATOM 1731 NE2 GLN A 121 10.484 4.357 -7.624 1.00 0.00 N ATOM 0 H GLN A 121 8.456 5.446 -3.539 1.00 0.00 H new ATOM 0 HA GLN A 121 10.986 7.000 -3.554 1.00 0.00 H new ATOM 0 HB2 GLN A 121 11.427 5.720 -5.651 1.00 0.00 H new ATOM 0 HB3 GLN A 121 11.674 4.913 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 121 10.049 3.368 -4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.005 4.496 -5.335 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.285 5.350 -7.501 1.00 0.00 H new ATOM 0 HE22 GLN A 121 10.704 3.992 -8.551 1.00 0.00 H new ATOM 1740 N MET A 122 9.518 8.698 -4.790 1.00 0.00 N ATOM 1741 CA MET A 122 8.960 9.678 -5.712 1.00 0.00 C ATOM 1742 C MET A 122 9.831 9.897 -6.950 1.00 0.00 C ATOM 1743 O MET A 122 9.415 10.567 -7.902 1.00 0.00 O ATOM 1744 CB MET A 122 8.654 10.991 -4.990 1.00 0.00 C ATOM 1745 CG MET A 122 7.877 10.725 -3.704 1.00 0.00 C ATOM 1746 SD MET A 122 6.967 12.125 -3.030 1.00 0.00 S ATOM 1747 CE MET A 122 5.563 12.009 -4.156 1.00 0.00 C ATOM 0 H MET A 122 9.958 9.105 -3.964 1.00 0.00 H new ATOM 0 HA MET A 122 8.020 9.267 -6.081 1.00 0.00 H new ATOM 0 HB2 MET A 122 9.584 11.511 -4.759 1.00 0.00 H new ATOM 0 HB3 MET A 122 8.076 11.646 -5.642 1.00 0.00 H new ATOM 0 HG2 MET A 122 7.173 9.914 -3.889 1.00 0.00 H new ATOM 0 HG3 MET A 122 8.577 10.373 -2.946 1.00 0.00 H new ATOM 0 HE1 MET A 122 4.783 12.701 -3.838 1.00 0.00 H new ATOM 0 HE2 MET A 122 5.885 12.263 -5.166 1.00 0.00 H new ATOM 0 HE3 MET A 122 5.171 10.992 -4.145 1.00 0.00 H new ATOM 1757 N ARG A 123 11.002 9.276 -6.974 1.00 0.00 N ATOM 1758 CA ARG A 123 11.772 8.974 -8.164 1.00 0.00 C ATOM 1759 C ARG A 123 10.923 8.106 -9.085 1.00 0.00 C ATOM 1760 O ARG A 123 10.359 7.109 -8.630 1.00 0.00 O ATOM 1761 CB ARG A 123 13.028 8.239 -7.683 1.00 0.00 C ATOM 1762 CG ARG A 123 14.306 8.796 -8.309 1.00 0.00 C ATOM 1763 CD ARG A 123 14.637 8.171 -9.666 1.00 0.00 C ATOM 1764 NE ARG A 123 16.037 8.443 -9.991 1.00 0.00 N ATOM 1765 CZ ARG A 123 16.556 9.535 -10.553 1.00 0.00 C ATOM 1766 NH1 ARG A 123 15.782 10.443 -11.140 1.00 0.00 N ATOM 1767 NH2 ARG A 123 17.873 9.691 -10.516 1.00 0.00 N ATOM 0 H ARG A 123 11.460 8.955 -6.121 1.00 0.00 H new ATOM 0 HA ARG A 123 12.057 9.864 -8.726 1.00 0.00 H new ATOM 0 HB2 ARG A 123 13.096 8.314 -6.598 1.00 0.00 H new ATOM 0 HB3 ARG A 123 12.940 7.180 -7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 123 14.204 9.875 -8.429 1.00 0.00 H new ATOM 0 HG3 ARG A 123 15.139 8.629 -7.627 1.00 0.00 H new ATOM 0 HD2 ARG A 123 14.460 7.096 -9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 123 13.986 8.581 -10.438 1.00 0.00 H new ATOM 0 HE ARG A 123 16.700 7.704 -9.758 1.00 0.00 H new ATOM 0 HH11 ARG A 123 14.771 10.311 -11.166 1.00 0.00 H new ATOM 0 HH12 ARG A 123 16.199 11.272 -11.564 1.00 0.00 H new ATOM 0 HH21 ARG A 123 18.458 8.986 -10.067 1.00 0.00 H new ATOM 0 HH22 ARG A 123 18.301 10.516 -10.937 1.00 0.00 H new ATOM 1781 N ALA A 124 10.775 8.511 -10.341 1.00 0.00 N ATOM 1782 CA ALA A 124 10.071 7.762 -11.356 1.00 0.00 C ATOM 1783 C ALA A 124 11.026 6.676 -11.867 1.00 0.00 C ATOM 1784 O ALA A 124 12.186 7.002 -12.136 1.00 0.00 O ATOM 1785 CB ALA A 124 9.641 8.727 -12.466 1.00 0.00 C ATOM 0 H ALA A 124 11.154 9.394 -10.683 1.00 0.00 H new ATOM 0 HA ALA A 124 9.170 7.284 -10.971 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.108 8.176 -13.241 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.986 9.493 -12.049 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.523 9.200 -12.899 1.00 0.00 H new ATOM 1791 N PRO A 125 10.584 5.430 -12.096 1.00 0.00 N ATOM 1792 CA PRO A 125 9.194 4.989 -12.104 1.00 0.00 C ATOM 1793 C PRO A 125 8.687 4.685 -10.686 1.00 0.00 C ATOM 1794 O PRO A 125 9.156 3.743 -10.044 1.00 0.00 O ATOM 1795 CB PRO A 125 9.194 3.739 -12.997 1.00 0.00 C ATOM 1796 CG PRO A 125 10.588 3.144 -12.787 1.00 0.00 C ATOM 1797 CD PRO A 125 11.461 4.376 -12.584 1.00 0.00 C ATOM 0 HA PRO A 125 8.519 5.757 -12.480 1.00 0.00 H new ATOM 0 HB2 PRO A 125 8.411 3.038 -12.705 1.00 0.00 H new ATOM 0 HB3 PRO A 125 9.021 3.994 -14.043 1.00 0.00 H new ATOM 0 HG2 PRO A 125 10.618 2.482 -11.922 1.00 0.00 H new ATOM 0 HG3 PRO A 125 10.911 2.558 -13.648 1.00 0.00 H new ATOM 0 HD2 PRO A 125 12.258 4.173 -11.869 1.00 0.00 H new ATOM 0 HD3 PRO A 125 11.939 4.671 -13.518 1.00 0.00 H new ATOM 1805 N GLN A 126 7.782 5.529 -10.181 1.00 0.00 N ATOM 1806 CA GLN A 126 7.417 5.617 -8.771 1.00 0.00 C ATOM 1807 C GLN A 126 6.668 4.373 -8.313 1.00 0.00 C ATOM 1808 O GLN A 126 5.648 4.008 -8.901 1.00 0.00 O ATOM 1809 CB GLN A 126 6.529 6.835 -8.508 1.00 0.00 C ATOM 1810 CG GLN A 126 7.137 8.186 -8.896 1.00 0.00 C ATOM 1811 CD GLN A 126 6.161 9.338 -8.657 1.00 0.00 C ATOM 1812 OE1 GLN A 126 5.082 9.386 -9.229 1.00 0.00 O ATOM 1813 NE2 GLN A 126 6.524 10.328 -7.865 1.00 0.00 N ATOM 0 H GLN A 126 7.269 6.190 -10.765 1.00 0.00 H new ATOM 0 HA GLN A 126 8.348 5.709 -8.212 1.00 0.00 H new ATOM 0 HB2 GLN A 126 5.594 6.706 -9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 126 6.279 6.859 -7.447 1.00 0.00 H new ATOM 0 HG2 GLN A 126 8.046 8.354 -8.319 1.00 0.00 H new ATOM 0 HG3 GLN A 126 7.426 8.166 -9.947 1.00 0.00 H new ATOM 0 HE21 GLN A 126 7.423 10.294 -7.385 1.00 0.00 H new ATOM 0 HE22 GLN A 126 5.905 11.128 -7.732 1.00 0.00 H new ATOM 1822 N GLN A 127 7.116 3.789 -7.204 1.00 0.00 N ATOM 1823 CA GLN A 127 6.431 2.670 -6.555 1.00 0.00 C ATOM 1824 C GLN A 127 6.512 2.834 -5.043 1.00 0.00 C ATOM 1825 O GLN A 127 7.588 2.826 -4.453 1.00 0.00 O ATOM 1826 CB GLN A 127 6.985 1.311 -7.008 1.00 0.00 C ATOM 1827 CG GLN A 127 6.729 1.071 -8.503 1.00 0.00 C ATOM 1828 CD GLN A 127 6.987 -0.383 -8.901 1.00 0.00 C ATOM 1829 OE1 GLN A 127 7.978 -0.986 -8.488 1.00 0.00 O ATOM 1830 NE2 GLN A 127 6.132 -0.997 -9.701 1.00 0.00 N ATOM 0 H GLN A 127 7.969 4.079 -6.726 1.00 0.00 H new ATOM 0 HA GLN A 127 5.384 2.685 -6.857 1.00 0.00 H new ATOM 0 HB2 GLN A 127 8.056 1.269 -6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 127 6.521 0.515 -6.426 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.699 1.335 -8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 127 7.371 1.727 -9.091 1.00 0.00 H new ATOM 0 HE21 GLN A 127 5.310 -0.501 -10.045 1.00 0.00 H new ATOM 0 HE22 GLN A 127 6.295 -1.966 -9.974 1.00 0.00 H new ATOM 1839 N MET A 128 5.379 3.088 -4.406 1.00 0.00 N ATOM 1840 CA MET A 128 5.309 3.175 -2.957 1.00 0.00 C ATOM 1841 C MET A 128 5.361 1.758 -2.390 1.00 0.00 C ATOM 1842 O MET A 128 5.010 0.790 -3.067 1.00 0.00 O ATOM 1843 CB MET A 128 4.020 3.900 -2.604 1.00 0.00 C ATOM 1844 CG MET A 128 3.780 4.149 -1.120 1.00 0.00 C ATOM 1845 SD MET A 128 2.263 5.088 -0.868 1.00 0.00 S ATOM 1846 CE MET A 128 1.081 3.925 -1.586 1.00 0.00 C ATOM 0 H MET A 128 4.487 3.239 -4.877 1.00 0.00 H new ATOM 0 HA MET A 128 6.143 3.731 -2.528 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.014 4.861 -3.119 1.00 0.00 H new ATOM 0 HB3 MET A 128 3.182 3.323 -2.996 1.00 0.00 H new ATOM 0 HG2 MET A 128 3.716 3.197 -0.592 1.00 0.00 H new ATOM 0 HG3 MET A 128 4.624 4.693 -0.696 1.00 0.00 H new ATOM 0 HE1 MET A 128 0.066 4.253 -1.363 1.00 0.00 H new ATOM 0 HE2 MET A 128 1.220 3.885 -2.666 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.243 2.934 -1.163 1.00 0.00 H new ATOM 1856 N GLN A 129 5.772 1.612 -1.135 1.00 0.00 N ATOM 1857 CA GLN A 129 5.816 0.320 -0.493 1.00 0.00 C ATOM 1858 C GLN A 129 5.494 0.473 0.979 1.00 0.00 C ATOM 1859 O GLN A 129 6.254 1.091 1.721 1.00 0.00 O ATOM 1860 CB GLN A 129 7.178 -0.332 -0.725 1.00 0.00 C ATOM 1861 CG GLN A 129 7.036 -1.851 -0.655 1.00 0.00 C ATOM 1862 CD GLN A 129 8.145 -2.559 -1.412 1.00 0.00 C ATOM 1863 OE1 GLN A 129 8.056 -2.705 -2.631 1.00 0.00 O ATOM 1864 NE2 GLN A 129 9.178 -3.031 -0.744 1.00 0.00 N ATOM 0 H GLN A 129 6.080 2.385 -0.545 1.00 0.00 H new ATOM 0 HA GLN A 129 5.065 -0.340 -0.928 1.00 0.00 H new ATOM 0 HB2 GLN A 129 7.573 -0.038 -1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 129 7.890 0.012 0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 129 7.048 -2.169 0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 129 6.071 -2.145 -1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 129 9.235 -2.901 0.266 1.00 0.00 H new ATOM 0 HE22 GLN A 129 9.921 -3.527 -1.237 1.00 0.00 H new ATOM 1873 N LEU A 130 4.350 -0.046 1.407 1.00 0.00 N ATOM 1874 CA LEU A 130 3.998 0.004 2.816 1.00 0.00 C ATOM 1875 C LEU A 130 4.599 -1.202 3.518 1.00 0.00 C ATOM 1876 O LEU A 130 4.887 -2.214 2.873 1.00 0.00 O ATOM 1877 CB LEU A 130 2.477 0.070 3.000 1.00 0.00 C ATOM 1878 CG LEU A 130 1.839 1.368 2.475 1.00 0.00 C ATOM 1879 CD1 LEU A 130 0.339 1.294 2.739 1.00 0.00 C ATOM 1880 CD2 LEU A 130 2.422 2.631 3.114 1.00 0.00 C ATOM 0 H LEU A 130 3.661 -0.499 0.807 1.00 0.00 H new ATOM 0 HA LEU A 130 4.407 0.910 3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.022 -0.779 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.245 -0.034 4.060 1.00 0.00 H new ATOM 0 HG LEU A 130 2.054 1.445 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -0.140 2.204 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -0.080 0.432 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.163 1.194 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.928 3.510 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.263 2.600 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.491 2.684 2.906 1.00 0.00 H new ATOM 1892 N VAL A 131 4.796 -1.092 4.830 1.00 0.00 N ATOM 1893 CA VAL A 131 5.413 -2.117 5.654 1.00 0.00 C ATOM 1894 C VAL A 131 4.694 -2.131 6.997 1.00 0.00 C ATOM 1895 O VAL A 131 4.371 -1.068 7.533 1.00 0.00 O ATOM 1896 CB VAL A 131 6.913 -1.824 5.818 1.00 0.00 C ATOM 1897 CG1 VAL A 131 7.617 -2.832 6.745 1.00 0.00 C ATOM 1898 CG2 VAL A 131 7.657 -1.794 4.482 1.00 0.00 C ATOM 0 H VAL A 131 4.522 -0.264 5.359 1.00 0.00 H new ATOM 0 HA VAL A 131 5.325 -3.099 5.188 1.00 0.00 H new ATOM 0 HB VAL A 131 6.952 -0.834 6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 131 8.674 -2.577 6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.160 -2.797 7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 131 7.516 -3.836 6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 131 8.712 -1.583 4.658 1.00 0.00 H new ATOM 0 HG22 VAL A 131 7.558 -2.761 3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 131 7.232 -1.017 3.847 1.00 0.00 H new ATOM 1908 N LEU A 132 4.413 -3.318 7.532 1.00 0.00 N ATOM 1909 CA LEU A 132 3.679 -3.437 8.790 1.00 0.00 C ATOM 1910 C LEU A 132 4.650 -3.680 9.930 1.00 0.00 C ATOM 1911 O LEU A 132 5.806 -4.034 9.710 1.00 0.00 O ATOM 1912 CB LEU A 132 2.578 -4.513 8.738 1.00 0.00 C ATOM 1913 CG LEU A 132 1.727 -4.519 7.452 1.00 0.00 C ATOM 1914 CD1 LEU A 132 0.632 -5.586 7.552 1.00 0.00 C ATOM 1915 CD2 LEU A 132 1.063 -3.183 7.126 1.00 0.00 C ATOM 0 H LEU A 132 4.682 -4.209 7.115 1.00 0.00 H new ATOM 0 HA LEU A 132 3.160 -2.494 8.964 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.043 -5.492 8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 132 1.916 -4.374 9.592 1.00 0.00 H new ATOM 0 HG LEU A 132 2.429 -4.733 6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 132 0.036 -5.583 6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.090 -6.566 7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -0.010 -5.369 8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 132 0.485 -3.279 6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.400 -2.897 7.943 1.00 0.00 H new ATOM 0 HD23 LEU A 132 1.829 -2.418 6.995 1.00 0.00 H new ATOM 1927 N ASP A 133 4.162 -3.551 11.159 1.00 0.00 N ATOM 1928 CA ASP A 133 4.927 -3.745 12.390 1.00 0.00 C ATOM 1929 C ASP A 133 5.470 -5.166 12.548 1.00 0.00 C ATOM 1930 O ASP A 133 6.434 -5.368 13.293 1.00 0.00 O ATOM 1931 CB ASP A 133 4.074 -3.395 13.617 1.00 0.00 C ATOM 1932 CG ASP A 133 2.874 -4.315 13.858 1.00 0.00 C ATOM 1933 OD1 ASP A 133 2.296 -4.866 12.896 1.00 0.00 O ATOM 1934 OD2 ASP A 133 2.406 -4.354 15.019 1.00 0.00 O ATOM 0 H ASP A 133 3.189 -3.300 11.334 1.00 0.00 H new ATOM 0 HA ASP A 133 5.782 -3.073 12.318 1.00 0.00 H new ATOM 0 HB2 ASP A 133 4.711 -3.416 14.501 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.712 -2.373 13.509 1.00 0.00 H new ATOM 1939 N ASN A 134 4.910 -6.154 11.848 1.00 0.00 N ATOM 1940 CA ASN A 134 5.467 -7.502 11.832 1.00 0.00 C ATOM 1941 C ASN A 134 6.709 -7.538 10.953 1.00 0.00 C ATOM 1942 O ASN A 134 7.609 -8.335 11.202 1.00 0.00 O ATOM 1943 CB ASN A 134 4.492 -8.510 11.224 1.00 0.00 C ATOM 1944 CG ASN A 134 3.159 -8.604 11.937 1.00 0.00 C ATOM 1945 OD1 ASN A 134 3.097 -8.803 13.146 1.00 0.00 O ATOM 1946 ND2 ASN A 134 2.079 -8.489 11.195 1.00 0.00 N ATOM 0 H ASN A 134 4.068 -6.042 11.284 1.00 0.00 H new ATOM 0 HA ASN A 134 5.686 -7.761 12.868 1.00 0.00 H new ATOM 0 HB2 ASN A 134 4.314 -8.242 10.183 1.00 0.00 H new ATOM 0 HB3 ASN A 134 4.960 -9.494 11.224 1.00 0.00 H new ATOM 0 HD21 ASN A 134 1.156 -8.565 11.623 1.00 0.00 H new ATOM 0 HD22 ASN A 134 2.164 -8.324 10.192 1.00 0.00 H new ATOM 1953 N GLY A 135 6.727 -6.718 9.898 1.00 0.00 N ATOM 1954 CA GLY A 135 7.653 -6.811 8.789 1.00 0.00 C ATOM 1955 C GLY A 135 6.973 -7.108 7.453 1.00 0.00 C ATOM 1956 O GLY A 135 7.693 -7.282 6.466 1.00 0.00 O ATOM 0 H GLY A 135 6.068 -5.946 9.799 1.00 0.00 H new ATOM 0 HA2 GLY A 135 8.205 -5.875 8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 135 8.382 -7.594 8.999 1.00 0.00 H new ATOM 1960 N ASP A 136 5.637 -7.245 7.394 1.00 0.00 N ATOM 1961 CA ASP A 136 4.898 -7.520 6.150 1.00 0.00 C ATOM 1962 C ASP A 136 5.129 -6.363 5.173 1.00 0.00 C ATOM 1963 O ASP A 136 5.476 -5.273 5.621 1.00 0.00 O ATOM 1964 CB ASP A 136 3.393 -7.656 6.426 1.00 0.00 C ATOM 1965 CG ASP A 136 2.953 -8.841 7.285 1.00 0.00 C ATOM 1966 OD1 ASP A 136 2.776 -9.955 6.754 1.00 0.00 O ATOM 1967 OD2 ASP A 136 2.692 -8.664 8.490 1.00 0.00 O ATOM 0 H ASP A 136 5.036 -7.167 8.214 1.00 0.00 H new ATOM 0 HA ASP A 136 5.257 -8.457 5.725 1.00 0.00 H new ATOM 0 HB2 ASP A 136 3.053 -6.741 6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 136 2.877 -7.721 5.468 1.00 0.00 H new ATOM 1972 N THR A 137 4.930 -6.552 3.865 1.00 0.00 N ATOM 1973 CA THR A 137 5.312 -5.581 2.839 1.00 0.00 C ATOM 1974 C THR A 137 4.194 -5.495 1.787 1.00 0.00 C ATOM 1975 O THR A 137 3.610 -6.518 1.432 1.00 0.00 O ATOM 1976 CB THR A 137 6.643 -6.030 2.195 1.00 0.00 C ATOM 1977 OG1 THR A 137 7.515 -6.704 3.096 1.00 0.00 O ATOM 1978 CG2 THR A 137 7.386 -4.854 1.568 1.00 0.00 C ATOM 0 H THR A 137 4.494 -7.393 3.486 1.00 0.00 H new ATOM 0 HA THR A 137 5.451 -4.593 3.279 1.00 0.00 H new ATOM 0 HB THR A 137 6.355 -6.742 1.422 1.00 0.00 H new ATOM 0 HG1 THR A 137 8.335 -6.962 2.626 1.00 0.00 H new ATOM 0 HG21 THR A 137 8.317 -5.207 1.125 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.765 -4.401 0.795 1.00 0.00 H new ATOM 0 HG23 THR A 137 7.608 -4.113 2.336 1.00 0.00 H new ATOM 1986 N LEU A 138 3.867 -4.312 1.260 1.00 0.00 N ATOM 1987 CA LEU A 138 2.854 -4.127 0.220 1.00 0.00 C ATOM 1988 C LEU A 138 3.441 -3.225 -0.861 1.00 0.00 C ATOM 1989 O LEU A 138 3.669 -2.051 -0.586 1.00 0.00 O ATOM 1990 CB LEU A 138 1.602 -3.450 0.793 1.00 0.00 C ATOM 1991 CG LEU A 138 0.601 -4.310 1.579 1.00 0.00 C ATOM 1992 CD1 LEU A 138 1.022 -4.572 3.033 1.00 0.00 C ATOM 1993 CD2 LEU A 138 -0.728 -3.544 1.594 1.00 0.00 C ATOM 0 H LEU A 138 4.308 -3.440 1.551 1.00 0.00 H new ATOM 0 HA LEU A 138 2.574 -5.100 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 138 1.931 -2.643 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 138 1.065 -2.990 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 138 0.536 -5.283 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 138 0.267 -5.185 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 138 1.979 -5.094 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 138 1.119 -3.623 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -1.473 -4.119 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -0.586 -2.578 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -1.071 -3.390 0.571 1.00 0.00 H new ATOM 2005 N THR A 139 3.705 -3.739 -2.062 1.00 0.00 N ATOM 2006 CA THR A 139 4.241 -2.987 -3.195 1.00 0.00 C ATOM 2007 C THR A 139 3.102 -2.374 -4.009 1.00 0.00 C ATOM 2008 O THR A 139 2.279 -3.096 -4.585 1.00 0.00 O ATOM 2009 CB THR A 139 5.097 -3.918 -4.065 1.00 0.00 C ATOM 2010 OG1 THR A 139 6.145 -4.496 -3.302 1.00 0.00 O ATOM 2011 CG2 THR A 139 5.721 -3.198 -5.262 1.00 0.00 C ATOM 0 H THR A 139 3.546 -4.723 -2.280 1.00 0.00 H new ATOM 0 HA THR A 139 4.867 -2.174 -2.829 1.00 0.00 H new ATOM 0 HB THR A 139 4.420 -4.688 -4.435 1.00 0.00 H new ATOM 0 HG1 THR A 139 6.862 -3.839 -3.182 1.00 0.00 H new ATOM 0 HG21 THR A 139 6.315 -3.904 -5.842 1.00 0.00 H new ATOM 0 HG22 THR A 139 4.932 -2.786 -5.891 1.00 0.00 H new ATOM 0 HG23 THR A 139 6.361 -2.390 -4.907 1.00 0.00 H new ATOM 2019 N PHE A 140 3.088 -1.044 -4.089 1.00 0.00 N ATOM 2020 CA PHE A 140 2.130 -0.288 -4.885 1.00 0.00 C ATOM 2021 C PHE A 140 2.815 0.359 -6.083 1.00 0.00 C ATOM 2022 O PHE A 140 3.881 0.957 -5.926 1.00 0.00 O ATOM 2023 CB PHE A 140 1.505 0.842 -4.063 1.00 0.00 C ATOM 2024 CG PHE A 140 0.687 0.445 -2.856 1.00 0.00 C ATOM 2025 CD1 PHE A 140 1.326 -0.005 -1.687 1.00 0.00 C ATOM 2026 CD2 PHE A 140 -0.710 0.606 -2.872 1.00 0.00 C ATOM 2027 CE1 PHE A 140 0.567 -0.327 -0.553 1.00 0.00 C ATOM 2028 CE2 PHE A 140 -1.466 0.289 -1.731 1.00 0.00 C ATOM 2029 CZ PHE A 140 -0.830 -0.191 -0.578 1.00 0.00 C ATOM 0 H PHE A 140 3.755 -0.454 -3.592 1.00 0.00 H new ATOM 0 HA PHE A 140 1.365 -0.993 -5.211 1.00 0.00 H new ATOM 0 HB2 PHE A 140 2.307 1.499 -3.727 1.00 0.00 H new ATOM 0 HB3 PHE A 140 0.868 1.429 -4.725 1.00 0.00 H new ATOM 0 HD1 PHE A 140 2.401 -0.103 -1.663 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -1.201 0.973 -3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 140 1.058 -0.680 0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -2.539 0.415 -1.742 1.00 0.00 H new ATOM 0 HZ PHE A 140 -1.414 -0.456 0.291 1.00 0.00 H new ATOM 2039 N ASP A 141 2.169 0.359 -7.248 1.00 0.00 N ATOM 2040 CA ASP A 141 2.533 1.294 -8.309 1.00 0.00 C ATOM 2041 C ASP A 141 1.975 2.668 -7.976 1.00 0.00 C ATOM 2042 O ASP A 141 0.944 2.779 -7.306 1.00 0.00 O ATOM 2043 CB ASP A 141 2.022 0.870 -9.695 1.00 0.00 C ATOM 2044 CG ASP A 141 3.202 0.968 -10.669 1.00 0.00 C ATOM 2045 OD1 ASP A 141 3.614 2.110 -10.979 1.00 0.00 O ATOM 2046 OD2 ASP A 141 3.837 -0.054 -11.006 1.00 0.00 O ATOM 0 H ASP A 141 1.400 -0.270 -7.479 1.00 0.00 H new ATOM 0 HA ASP A 141 3.622 1.308 -8.359 1.00 0.00 H new ATOM 0 HB2 ASP A 141 1.632 -0.148 -9.666 1.00 0.00 H new ATOM 0 HB3 ASP A 141 1.204 1.515 -10.016 1.00 0.00 H new ATOM 2051 N ARG A 142 2.597 3.734 -8.483 1.00 0.00 N ATOM 2052 CA ARG A 142 1.909 5.017 -8.619 1.00 0.00 C ATOM 2053 C ARG A 142 0.873 4.834 -9.720 1.00 0.00 C ATOM 2054 O ARG A 142 1.121 4.124 -10.690 1.00 0.00 O ATOM 2055 CB ARG A 142 2.951 6.095 -8.964 1.00 0.00 C ATOM 2056 CG ARG A 142 2.411 7.518 -9.200 1.00 0.00 C ATOM 2057 CD ARG A 142 2.423 8.407 -7.944 1.00 0.00 C ATOM 2058 NE ARG A 142 2.199 9.820 -8.308 1.00 0.00 N ATOM 2059 CZ ARG A 142 2.583 10.907 -7.627 1.00 0.00 C ATOM 2060 NH1 ARG A 142 3.072 10.808 -6.395 1.00 0.00 N ATOM 2061 NH2 ARG A 142 2.463 12.117 -8.158 1.00 0.00 N ATOM 0 H ARG A 142 3.566 3.735 -8.803 1.00 0.00 H new ATOM 0 HA ARG A 142 1.408 5.335 -7.704 1.00 0.00 H new ATOM 0 HB2 ARG A 142 3.681 6.136 -8.155 1.00 0.00 H new ATOM 0 HB3 ARG A 142 3.486 5.779 -9.860 1.00 0.00 H new ATOM 0 HG2 ARG A 142 3.006 7.997 -9.978 1.00 0.00 H new ATOM 0 HG3 ARG A 142 1.390 7.451 -9.576 1.00 0.00 H new ATOM 0 HD2 ARG A 142 1.650 8.077 -7.250 1.00 0.00 H new ATOM 0 HD3 ARG A 142 3.378 8.305 -7.428 1.00 0.00 H new ATOM 0 HE ARG A 142 1.694 9.987 -9.178 1.00 0.00 H new ATOM 0 HH11 ARG A 142 3.160 9.893 -5.953 1.00 0.00 H new ATOM 0 HH12 ARG A 142 3.359 11.647 -5.891 1.00 0.00 H new ATOM 0 HH21 ARG A 142 2.075 12.227 -9.095 1.00 0.00 H new ATOM 0 HH22 ARG A 142 2.759 12.938 -7.629 1.00 0.00 H new ATOM 2075 N SER A 143 -0.266 5.509 -9.641 1.00 0.00 N ATOM 2076 CA SER A 143 -1.139 5.612 -10.796 1.00 0.00 C ATOM 2077 C SER A 143 -1.667 7.028 -10.858 1.00 0.00 C ATOM 2078 O SER A 143 -2.497 7.430 -10.041 1.00 0.00 O ATOM 2079 CB SER A 143 -2.172 4.491 -10.752 1.00 0.00 C ATOM 2080 OG SER A 143 -2.637 4.132 -12.040 1.00 0.00 O ATOM 0 H SER A 143 -0.601 5.985 -8.803 1.00 0.00 H new ATOM 0 HA SER A 143 -0.625 5.455 -11.744 1.00 0.00 H new ATOM 0 HB2 SER A 143 -1.734 3.617 -10.270 1.00 0.00 H new ATOM 0 HB3 SER A 143 -3.017 4.804 -10.138 1.00 0.00 H new ATOM 0 HG SER A 143 -3.295 3.410 -11.961 1.00 0.00 H new ATOM 2086 N THR A 144 -1.081 7.833 -11.738 1.00 0.00 N ATOM 2087 CA THR A 144 -1.406 9.248 -11.897 1.00 0.00 C ATOM 2088 C THR A 144 -2.642 9.512 -12.744 1.00 0.00 C ATOM 2089 O THR A 144 -3.065 10.665 -12.852 1.00 0.00 O ATOM 2090 CB THR A 144 -0.197 9.966 -12.532 1.00 0.00 C ATOM 2091 OG1 THR A 144 0.382 9.157 -13.542 1.00 0.00 O ATOM 2092 CG2 THR A 144 0.879 10.265 -11.489 1.00 0.00 C ATOM 0 H THR A 144 -0.351 7.514 -12.375 1.00 0.00 H new ATOM 0 HA THR A 144 -1.630 9.630 -10.901 1.00 0.00 H new ATOM 0 HB THR A 144 -0.563 10.901 -12.957 1.00 0.00 H new ATOM 0 HG1 THR A 144 1.147 9.625 -13.938 1.00 0.00 H new ATOM 0 HG21 THR A 144 1.718 10.771 -11.967 1.00 0.00 H new ATOM 0 HG22 THR A 144 0.464 10.906 -10.711 1.00 0.00 H new ATOM 0 HG23 THR A 144 1.224 9.332 -11.044 1.00 0.00 H new ATOM 2100 N ARG A 145 -3.212 8.459 -13.323 1.00 0.00 N ATOM 2101 CA ARG A 145 -3.795 8.476 -14.659 1.00 0.00 C ATOM 2102 C ARG A 145 -2.761 8.899 -15.708 1.00 0.00 C ATOM 2103 O ARG A 145 -3.139 8.929 -16.903 1.00 0.00 O ATOM 2104 CB ARG A 145 -5.028 9.383 -14.688 1.00 0.00 C ATOM 2105 CG ARG A 145 -6.212 8.763 -15.423 1.00 0.00 C ATOM 2106 CD ARG A 145 -7.311 9.796 -15.692 1.00 0.00 C ATOM 2107 NE ARG A 145 -8.619 9.150 -15.906 1.00 0.00 N ATOM 2108 CZ ARG A 145 -9.478 8.806 -14.938 1.00 0.00 C ATOM 2109 NH1 ARG A 145 -9.183 8.987 -13.653 1.00 0.00 N ATOM 2110 NH2 ARG A 145 -10.652 8.265 -15.243 1.00 0.00 N ATOM 0 H ARG A 145 -3.282 7.550 -12.865 1.00 0.00 H new ATOM 0 HA ARG A 145 -4.113 7.464 -14.911 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -5.325 9.615 -13.665 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -4.766 10.327 -15.166 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -5.873 8.337 -16.367 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -6.619 7.943 -14.832 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -7.378 10.485 -14.850 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -7.049 10.388 -16.569 1.00 0.00 H new ATOM 0 HE ARG A 145 -8.891 8.949 -16.868 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -8.287 9.396 -13.388 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -9.853 8.717 -12.933 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -10.904 8.109 -16.219 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -11.302 8.005 -14.501 1.00 0.00 H new