USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=36 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= 0.0849 X(o=0.44,f=-0.06) USER MOD Set 1.2: A 139 THR OG1 : rot -101:sc= 0.351 USER MOD Set 2.1: A 113 THR OG1 : rot 180:sc= 0.00106 USER MOD Set 2.2: A 114 HIS : no HE2:sc= 0.618 K(o=0.62,f=-2.2!) USER MOD Set 3.1: A 93 THR OG1 : rot -2:sc= 1.15 USER MOD Set 3.2: A 95 MET CE :methyl -145:sc= -0.0849 (180deg=-0.664) USER MOD Set 4.1: A 74 TYR OH : rot 180:sc=-0.00997 USER MOD Set 4.2: A 108 TYR OH : rot -26:sc= 0 USER MOD Set 5.1: A 64 HIS : no HE2:sc= -0.0402 K(o=1.3,f=-2.6) USER MOD Set 5.2: A 66 SER OG : rot -127:sc= 1.34 USER MOD Set 6.1: A 27 SER OG : rot 180:sc= -0.407 USER MOD Set 6.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -2.38! C(o=-2.4!,f=-2.9!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0167 USER MOD Single : A 21 GLN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 26 THR OG1 : rot 137:sc= 0.293 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.386 K(o=-0.39,f=-1.7) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.121 USER MOD Single : A 48 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0466 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 110:sc= 1.61 USER MOD Single : A 72 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.1) USER MOD Single : A 75 MET CE :methyl 151:sc= -1.13 (180deg=-5.95!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 7:sc= 1.23 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -137:sc= 1.83 (180deg=0.152) 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 -135:sc= 0 (180deg=-0.0055) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 110 ASN : amide:sc= 0.714 K(o=0.71,f=0) USER MOD Single : A 118 THR OG1 : rot 150:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -0.0739 K(o=-0.074,f=-0.61) USER MOD Single : A 122 MET CE :methyl -140:sc= -1.12 (180deg=-3.02!) USER MOD Single : A 126 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 MET CE :methyl 175:sc= -0.116 (180deg=-0.199) USER MOD Single : A 134 ASN : amide:sc= 0.705 K(o=0.7,f=-0.15) 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 -38:sc= 0.199 USER MOD ----------------------------------------------------------------- ATOM 201 N PHE A 15 12.583 3.833 -1.198 1.00 0.00 N ATOM 202 CA PHE A 15 11.732 3.538 -0.052 1.00 0.00 C ATOM 203 C PHE A 15 12.089 4.401 1.175 1.00 0.00 C ATOM 204 O PHE A 15 12.478 3.876 2.217 1.00 0.00 O ATOM 205 CB PHE A 15 11.716 2.018 0.214 1.00 0.00 C ATOM 206 CG PHE A 15 11.459 1.118 -0.986 1.00 0.00 C ATOM 207 CD1 PHE A 15 10.348 1.334 -1.824 1.00 0.00 C ATOM 208 CD2 PHE A 15 12.317 0.031 -1.251 1.00 0.00 C ATOM 209 CE1 PHE A 15 10.091 0.470 -2.903 1.00 0.00 C ATOM 210 CE2 PHE A 15 12.067 -0.826 -2.335 1.00 0.00 C ATOM 211 CZ PHE A 15 10.951 -0.610 -3.158 1.00 0.00 C ATOM 0 HA PHE A 15 10.706 3.822 -0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 15 12.675 1.739 0.650 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.953 1.812 0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.689 2.169 -1.637 1.00 0.00 H new ATOM 0 HD2 PHE A 15 13.173 -0.144 -0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 15 9.232 0.637 -3.536 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.734 -1.652 -2.535 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.754 -1.274 -3.987 1.00 0.00 H new ATOM 221 N ASN A 16 11.916 5.729 1.081 1.00 0.00 N ATOM 222 CA ASN A 16 12.454 6.698 2.052 1.00 0.00 C ATOM 223 C ASN A 16 11.371 7.662 2.584 1.00 0.00 C ATOM 224 O ASN A 16 10.456 8.030 1.842 1.00 0.00 O ATOM 225 CB ASN A 16 13.653 7.430 1.391 1.00 0.00 C ATOM 226 CG ASN A 16 14.786 7.666 2.385 1.00 0.00 C ATOM 227 OD1 ASN A 16 15.148 6.766 3.133 1.00 0.00 O ATOM 228 ND2 ASN A 16 15.315 8.872 2.505 1.00 0.00 N ATOM 0 H ASN A 16 11.394 6.166 0.321 1.00 0.00 H new ATOM 0 HA ASN A 16 12.807 6.173 2.940 1.00 0.00 H new ATOM 0 HB2 ASN A 16 14.022 6.840 0.552 1.00 0.00 H new ATOM 0 HB3 ASN A 16 13.318 8.385 0.987 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.022 9.050 3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 16 15.016 9.624 1.884 1.00 0.00 H new ATOM 235 N PRO A 17 11.452 8.136 3.845 1.00 0.00 N ATOM 236 CA PRO A 17 10.448 9.011 4.462 1.00 0.00 C ATOM 237 C PRO A 17 10.428 10.403 3.825 1.00 0.00 C ATOM 238 O PRO A 17 9.378 11.053 3.777 1.00 0.00 O ATOM 239 CB PRO A 17 10.835 9.102 5.941 1.00 0.00 C ATOM 240 CG PRO A 17 12.335 8.851 5.925 1.00 0.00 C ATOM 241 CD PRO A 17 12.494 7.840 4.810 1.00 0.00 C ATOM 0 HA PRO A 17 9.446 8.607 4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.595 10.079 6.360 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.309 8.359 6.541 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.896 9.764 5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.690 8.460 6.879 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.481 7.916 4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.396 6.823 5.190 1.00 0.00 H new ATOM 249 N ALA A 18 11.569 10.818 3.262 1.00 0.00 N ATOM 250 CA ALA A 18 11.746 12.040 2.487 1.00 0.00 C ATOM 251 C ALA A 18 10.750 12.151 1.327 1.00 0.00 C ATOM 252 O ALA A 18 10.529 13.228 0.779 1.00 0.00 O ATOM 253 CB ALA A 18 13.179 12.056 1.949 1.00 0.00 C ATOM 0 H ALA A 18 12.432 10.281 3.342 1.00 0.00 H new ATOM 0 HA ALA A 18 11.560 12.894 3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.338 12.962 1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.881 12.034 2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.340 11.183 1.317 1.00 0.00 H new ATOM 259 N ALA A 19 10.154 11.029 0.938 1.00 0.00 N ATOM 260 CA ALA A 19 9.271 10.871 -0.191 1.00 0.00 C ATOM 261 C ALA A 19 7.896 10.382 0.254 1.00 0.00 C ATOM 262 O ALA A 19 7.157 9.881 -0.585 1.00 0.00 O ATOM 263 CB ALA A 19 9.968 9.898 -1.137 1.00 0.00 C ATOM 0 H ALA A 19 10.290 10.153 1.443 1.00 0.00 H new ATOM 0 HA ALA A 19 9.084 11.818 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.345 9.737 -2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.928 10.313 -1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.129 8.948 -0.628 1.00 0.00 H new ATOM 269 N THR A 20 7.534 10.522 1.534 1.00 0.00 N ATOM 270 CA THR A 20 6.227 10.108 2.055 1.00 0.00 C ATOM 271 C THR A 20 5.360 11.298 2.487 1.00 0.00 C ATOM 272 O THR A 20 4.155 11.167 2.659 1.00 0.00 O ATOM 273 CB THR A 20 6.438 9.111 3.201 1.00 0.00 C ATOM 274 OG1 THR A 20 7.370 8.115 2.796 1.00 0.00 O ATOM 275 CG2 THR A 20 5.128 8.403 3.552 1.00 0.00 C ATOM 0 H THR A 20 8.145 10.929 2.243 1.00 0.00 H new ATOM 0 HA THR A 20 5.674 9.622 1.251 1.00 0.00 H new ATOM 0 HB THR A 20 6.803 9.664 4.066 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.507 7.478 3.528 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.301 7.700 4.367 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.387 9.141 3.860 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.761 7.863 2.679 1.00 0.00 H new ATOM 283 N GLN A 21 5.938 12.488 2.627 1.00 0.00 N ATOM 284 CA GLN A 21 5.205 13.703 2.981 1.00 0.00 C ATOM 285 C GLN A 21 4.386 14.271 1.817 1.00 0.00 C ATOM 286 O GLN A 21 3.604 15.194 2.020 1.00 0.00 O ATOM 287 CB GLN A 21 6.237 14.724 3.460 1.00 0.00 C ATOM 288 CG GLN A 21 7.160 15.225 2.335 1.00 0.00 C ATOM 289 CD GLN A 21 8.638 15.356 2.675 1.00 0.00 C ATOM 290 OE1 GLN A 21 9.263 16.341 2.293 1.00 0.00 O ATOM 291 NE2 GLN A 21 9.251 14.356 3.291 1.00 0.00 N ATOM 0 H GLN A 21 6.938 12.639 2.497 1.00 0.00 H new ATOM 0 HA GLN A 21 4.479 13.468 3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.719 15.575 3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.844 14.276 4.247 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.064 14.546 1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.798 16.199 2.006 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.717 13.545 3.602 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.257 14.398 3.454 1.00 0.00 H new ATOM 300 N LEU A 22 4.572 13.761 0.596 1.00 0.00 N ATOM 301 CA LEU A 22 3.932 14.276 -0.612 1.00 0.00 C ATOM 302 C LEU A 22 2.685 13.425 -0.928 1.00 0.00 C ATOM 303 O LEU A 22 2.179 13.440 -2.050 1.00 0.00 O ATOM 304 CB LEU A 22 4.945 14.429 -1.780 1.00 0.00 C ATOM 305 CG LEU A 22 6.337 14.948 -1.372 1.00 0.00 C ATOM 306 CD1 LEU A 22 7.308 14.881 -2.552 1.00 0.00 C ATOM 307 CD2 LEU A 22 6.285 16.350 -0.751 1.00 0.00 C ATOM 0 H LEU A 22 5.183 12.964 0.419 1.00 0.00 H new ATOM 0 HA LEU A 22 3.576 15.293 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.063 13.461 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.523 15.109 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 22 6.712 14.288 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.285 15.252 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.402 13.848 -2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.930 15.495 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.293 16.666 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.864 17.052 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.661 16.329 0.142 1.00 0.00 H new ATOM 319 N LEU A 23 2.208 12.643 0.054 1.00 0.00 N ATOM 320 CA LEU A 23 1.077 11.716 -0.051 1.00 0.00 C ATOM 321 C LEU A 23 -0.296 12.391 0.121 1.00 0.00 C ATOM 322 O LEU A 23 -1.283 11.679 0.333 1.00 0.00 O ATOM 323 CB LEU A 23 1.256 10.548 0.956 1.00 0.00 C ATOM 324 CG LEU A 23 1.826 9.240 0.401 1.00 0.00 C ATOM 325 CD1 LEU A 23 0.844 8.514 -0.521 1.00 0.00 C ATOM 326 CD2 LEU A 23 3.156 9.477 -0.289 1.00 0.00 C ATOM 0 H LEU A 23 2.623 12.642 0.986 1.00 0.00 H new ATOM 0 HA LEU A 23 1.083 11.326 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.909 10.889 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.285 10.333 1.403 1.00 0.00 H new ATOM 0 HG LEU A 23 1.994 8.582 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.300 7.594 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.065 8.275 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.596 9.156 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.539 8.532 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.018 10.176 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.867 9.893 0.425 1.00 0.00 H new ATOM 338 N ASP A 24 -0.420 13.717 0.059 1.00 0.00 N ATOM 339 CA ASP A 24 -1.735 14.364 0.215 1.00 0.00 C ATOM 340 C ASP A 24 -2.595 14.226 -1.042 1.00 0.00 C ATOM 341 O ASP A 24 -3.785 13.973 -0.928 1.00 0.00 O ATOM 342 CB ASP A 24 -1.563 15.842 0.598 1.00 0.00 C ATOM 343 CG ASP A 24 -2.761 16.453 1.327 1.00 0.00 C ATOM 344 OD1 ASP A 24 -3.363 15.793 2.201 1.00 0.00 O ATOM 345 OD2 ASP A 24 -2.916 17.686 1.259 1.00 0.00 O ATOM 0 H ASP A 24 0.356 14.360 -0.095 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.260 13.850 1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.681 15.940 1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.372 16.419 -0.307 1.00 0.00 H new ATOM 350 N ASP A 25 -1.998 14.337 -2.235 1.00 0.00 N ATOM 351 CA ASP A 25 -2.744 14.603 -3.483 1.00 0.00 C ATOM 352 C ASP A 25 -2.521 13.524 -4.558 1.00 0.00 C ATOM 353 O ASP A 25 -3.056 13.613 -5.665 1.00 0.00 O ATOM 354 CB ASP A 25 -2.367 16.007 -4.006 1.00 0.00 C ATOM 355 CG ASP A 25 -3.559 16.963 -4.096 1.00 0.00 C ATOM 356 OD1 ASP A 25 -3.983 17.487 -3.045 1.00 0.00 O ATOM 357 OD2 ASP A 25 -4.023 17.284 -5.214 1.00 0.00 O ATOM 0 H ASP A 25 -0.991 14.247 -2.368 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.809 14.570 -3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.612 16.440 -3.350 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.914 15.909 -4.993 1.00 0.00 H new ATOM 362 N THR A 26 -1.695 12.515 -4.264 1.00 0.00 N ATOM 363 CA THR A 26 -1.291 11.476 -5.213 1.00 0.00 C ATOM 364 C THR A 26 -2.173 10.221 -5.090 1.00 0.00 C ATOM 365 O THR A 26 -2.953 10.065 -4.149 1.00 0.00 O ATOM 366 CB THR A 26 0.232 11.216 -5.121 1.00 0.00 C ATOM 367 OG1 THR A 26 0.748 10.835 -3.861 1.00 0.00 O ATOM 368 CG2 THR A 26 0.986 12.488 -5.494 1.00 0.00 C ATOM 0 H THR A 26 -1.280 12.396 -3.340 1.00 0.00 H new ATOM 0 HA THR A 26 -1.465 11.829 -6.229 1.00 0.00 H new ATOM 0 HB THR A 26 0.375 10.373 -5.797 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.395 10.108 -3.979 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.059 12.307 -5.430 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.727 12.779 -6.512 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.711 13.288 -4.807 1.00 0.00 H new ATOM 376 N SER A 27 -2.094 9.314 -6.058 1.00 0.00 N ATOM 377 CA SER A 27 -2.994 8.182 -6.241 1.00 0.00 C ATOM 378 C SER A 27 -2.205 6.982 -6.783 1.00 0.00 C ATOM 379 O SER A 27 -1.181 7.152 -7.457 1.00 0.00 O ATOM 380 CB SER A 27 -4.090 8.617 -7.210 1.00 0.00 C ATOM 381 OG SER A 27 -4.831 9.729 -6.741 1.00 0.00 O ATOM 0 H SER A 27 -1.365 9.351 -6.771 1.00 0.00 H new ATOM 0 HA SER A 27 -3.446 7.876 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.640 8.866 -8.171 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.768 7.781 -7.382 1.00 0.00 H new ATOM 0 HG SER A 27 -5.517 9.966 -7.399 1.00 0.00 H new ATOM 387 N TRP A 28 -2.647 5.773 -6.427 1.00 0.00 N ATOM 388 CA TRP A 28 -1.810 4.593 -6.284 1.00 0.00 C ATOM 389 C TRP A 28 -2.622 3.286 -6.404 1.00 0.00 C ATOM 390 O TRP A 28 -3.850 3.353 -6.445 1.00 0.00 O ATOM 391 CB TRP A 28 -1.133 4.647 -4.903 1.00 0.00 C ATOM 392 CG TRP A 28 -0.323 5.861 -4.553 1.00 0.00 C ATOM 393 CD1 TRP A 28 -0.804 6.985 -3.979 1.00 0.00 C ATOM 394 CD2 TRP A 28 1.101 6.101 -4.738 1.00 0.00 C ATOM 395 NE1 TRP A 28 0.207 7.904 -3.818 1.00 0.00 N ATOM 396 CE2 TRP A 28 1.405 7.417 -4.279 1.00 0.00 C ATOM 397 CE3 TRP A 28 2.171 5.335 -5.235 1.00 0.00 C ATOM 398 CZ2 TRP A 28 2.702 7.944 -4.302 1.00 0.00 C ATOM 399 CZ3 TRP A 28 3.461 5.883 -5.356 1.00 0.00 C ATOM 400 CH2 TRP A 28 3.738 7.168 -4.852 1.00 0.00 C ATOM 0 H TRP A 28 -3.630 5.589 -6.225 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.073 4.593 -7.087 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.911 4.538 -4.147 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.482 3.777 -4.818 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.833 7.140 -3.689 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.082 8.830 -3.408 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.999 4.310 -5.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.903 8.928 -3.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.243 5.315 -5.838 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.745 7.557 -4.888 1.00 0.00 H new ATOM 411 N VAL A 29 -1.989 2.095 -6.440 1.00 0.00 N ATOM 412 CA VAL A 29 -2.723 0.808 -6.505 1.00 0.00 C ATOM 413 C VAL A 29 -1.963 -0.405 -6.005 1.00 0.00 C ATOM 414 O VAL A 29 -0.925 -0.731 -6.559 1.00 0.00 O ATOM 415 CB VAL A 29 -3.290 0.573 -7.897 1.00 0.00 C ATOM 416 CG1 VAL A 29 -2.466 0.690 -9.108 1.00 0.00 C ATOM 417 CG2 VAL A 29 -4.200 -0.649 -8.101 1.00 0.00 C ATOM 0 H VAL A 29 -0.974 1.995 -6.425 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.542 0.922 -5.794 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.856 1.502 -7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.077 0.480 -9.986 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.065 1.701 -9.179 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.644 -0.024 -9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.529 -0.689 -9.140 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.648 -1.558 -7.860 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.069 -0.568 -7.448 1.00 0.00 H new ATOM 427 N LEU A 30 -2.472 -1.077 -4.973 1.00 0.00 N ATOM 428 CA LEU A 30 -1.834 -2.264 -4.410 1.00 0.00 C ATOM 429 C LEU A 30 -1.769 -3.305 -5.508 1.00 0.00 C ATOM 430 O LEU A 30 -2.804 -3.633 -6.094 1.00 0.00 O ATOM 431 CB LEU A 30 -2.613 -2.850 -3.220 1.00 0.00 C ATOM 432 CG LEU A 30 -1.881 -4.059 -2.591 1.00 0.00 C ATOM 433 CD1 LEU A 30 -0.737 -3.580 -1.696 1.00 0.00 C ATOM 434 CD2 LEU A 30 -2.844 -4.934 -1.787 1.00 0.00 C ATOM 0 H LEU A 30 -3.339 -0.813 -4.504 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.847 -1.984 -4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.755 -2.078 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.605 -3.158 -3.551 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.472 -4.661 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.231 -4.441 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.027 -3.004 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.137 -2.953 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.299 -5.775 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.290 -4.344 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.630 -5.308 -2.443 1.00 0.00 H new ATOM 446 N SER A 31 -0.581 -3.852 -5.742 1.00 0.00 N ATOM 447 CA SER A 31 -0.409 -4.902 -6.727 1.00 0.00 C ATOM 448 C SER A 31 0.391 -6.081 -6.159 1.00 0.00 C ATOM 449 O SER A 31 0.402 -7.150 -6.769 1.00 0.00 O ATOM 450 CB SER A 31 0.287 -4.283 -7.952 1.00 0.00 C ATOM 451 OG SER A 31 -0.157 -4.799 -9.191 1.00 0.00 O ATOM 0 H SER A 31 0.276 -3.582 -5.259 1.00 0.00 H new ATOM 0 HA SER A 31 -1.379 -5.308 -7.015 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.126 -3.205 -7.941 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.361 -4.446 -7.867 1.00 0.00 H new ATOM 0 HG SER A 31 0.327 -4.359 -9.921 1.00 0.00 H new ATOM 457 N ALA A 32 1.031 -5.945 -4.985 1.00 0.00 N ATOM 458 CA ALA A 32 1.715 -7.056 -4.336 1.00 0.00 C ATOM 459 C ALA A 32 1.706 -6.879 -2.815 1.00 0.00 C ATOM 460 O ALA A 32 1.715 -5.755 -2.312 1.00 0.00 O ATOM 461 CB ALA A 32 3.147 -7.154 -4.876 1.00 0.00 C ATOM 0 H ALA A 32 1.084 -5.066 -4.470 1.00 0.00 H new ATOM 0 HA ALA A 32 1.191 -7.986 -4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.662 -7.984 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.119 -7.322 -5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.679 -6.226 -4.667 1.00 0.00 H new ATOM 467 N TRP A 33 1.734 -7.988 -2.076 1.00 0.00 N ATOM 468 CA TRP A 33 1.765 -8.045 -0.617 1.00 0.00 C ATOM 469 C TRP A 33 2.752 -9.151 -0.254 1.00 0.00 C ATOM 470 O TRP A 33 2.534 -10.305 -0.617 1.00 0.00 O ATOM 471 CB TRP A 33 0.344 -8.340 -0.107 1.00 0.00 C ATOM 472 CG TRP A 33 0.047 -8.287 1.364 1.00 0.00 C ATOM 473 CD1 TRP A 33 0.923 -8.287 2.395 1.00 0.00 C ATOM 474 CD2 TRP A 33 -1.275 -8.210 1.975 1.00 0.00 C ATOM 475 NE1 TRP A 33 0.237 -8.212 3.589 1.00 0.00 N ATOM 476 CE2 TRP A 33 -1.128 -8.125 3.390 1.00 0.00 C ATOM 477 CE3 TRP A 33 -2.587 -8.175 1.459 1.00 0.00 C ATOM 478 CZ2 TRP A 33 -2.239 -7.974 4.240 1.00 0.00 C ATOM 479 CZ3 TRP A 33 -3.705 -8.061 2.304 1.00 0.00 C ATOM 480 CH2 TRP A 33 -3.533 -7.967 3.693 1.00 0.00 C ATOM 0 H TRP A 33 1.736 -8.915 -2.501 1.00 0.00 H new ATOM 0 HA TRP A 33 2.083 -7.109 -0.159 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.329 -7.638 -0.599 1.00 0.00 H new ATOM 0 HB3 TRP A 33 0.075 -9.337 -0.456 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.997 -8.338 2.298 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.682 -8.220 4.507 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.736 -8.237 0.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.098 -7.864 5.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -4.699 -8.046 1.882 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.394 -7.889 4.341 1.00 0.00 H new ATOM 491 N LYS A 34 3.898 -8.834 0.343 1.00 0.00 N ATOM 492 CA LYS A 34 4.844 -9.816 0.849 1.00 0.00 C ATOM 493 C LYS A 34 4.564 -9.985 2.330 1.00 0.00 C ATOM 494 O LYS A 34 4.335 -8.986 3.013 1.00 0.00 O ATOM 495 CB LYS A 34 6.286 -9.317 0.640 1.00 0.00 C ATOM 496 CG LYS A 34 7.224 -10.452 0.234 1.00 0.00 C ATOM 497 CD LYS A 34 7.235 -10.696 -1.285 1.00 0.00 C ATOM 498 CE LYS A 34 8.299 -9.833 -1.961 1.00 0.00 C ATOM 499 NZ LYS A 34 8.348 -10.029 -3.426 1.00 0.00 N ATOM 0 H LYS A 34 4.197 -7.870 0.490 1.00 0.00 H new ATOM 0 HA LYS A 34 4.736 -10.764 0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.296 -8.544 -0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.648 -8.857 1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.235 -10.220 0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.922 -11.367 0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.430 -11.749 -1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.254 -10.467 -1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.100 -8.783 -1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.275 -10.066 -1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.086 -9.420 -3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.565 -11.024 -3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.427 -9.781 -3.840 1.00 0.00 H new ATOM 513 N GLN A 35 4.621 -11.207 2.838 1.00 0.00 N ATOM 514 CA GLN A 35 4.780 -11.427 4.258 1.00 0.00 C ATOM 515 C GLN A 35 6.196 -11.013 4.666 1.00 0.00 C ATOM 516 O GLN A 35 7.059 -10.756 3.813 1.00 0.00 O ATOM 517 CB GLN A 35 4.476 -12.873 4.638 1.00 0.00 C ATOM 518 CG GLN A 35 3.049 -13.281 4.239 1.00 0.00 C ATOM 519 CD GLN A 35 2.564 -14.526 4.974 1.00 0.00 C ATOM 520 OE1 GLN A 35 1.363 -14.704 5.164 1.00 0.00 O ATOM 521 NE2 GLN A 35 3.458 -15.408 5.391 1.00 0.00 N ATOM 0 H GLN A 35 4.559 -12.060 2.282 1.00 0.00 H new ATOM 0 HA GLN A 35 4.061 -10.814 4.802 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.193 -13.535 4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.603 -13.001 5.713 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.369 -12.455 4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.015 -13.462 3.165 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.451 -15.245 5.225 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.154 -16.251 5.878 1.00 0.00 H new ATOM 530 N ALA A 36 6.456 -10.979 5.970 1.00 0.00 N ATOM 531 CA ALA A 36 7.753 -10.562 6.485 1.00 0.00 C ATOM 532 C ALA A 36 8.848 -11.532 6.039 1.00 0.00 C ATOM 533 O ALA A 36 9.946 -11.107 5.676 1.00 0.00 O ATOM 534 CB ALA A 36 7.691 -10.466 8.006 1.00 0.00 C ATOM 0 H ALA A 36 5.781 -11.237 6.690 1.00 0.00 H new ATOM 0 HA ALA A 36 7.999 -9.580 6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.662 -10.154 8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.935 -9.736 8.294 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.432 -11.440 8.422 1.00 0.00 H new ATOM 540 N ASP A 37 8.524 -12.823 5.978 1.00 0.00 N ATOM 541 CA ASP A 37 9.472 -13.895 5.642 1.00 0.00 C ATOM 542 C ASP A 37 9.629 -14.054 4.129 1.00 0.00 C ATOM 543 O ASP A 37 10.357 -14.918 3.651 1.00 0.00 O ATOM 544 CB ASP A 37 9.050 -15.219 6.300 1.00 0.00 C ATOM 545 CG ASP A 37 10.074 -15.697 7.325 1.00 0.00 C ATOM 546 OD1 ASP A 37 11.256 -15.874 6.970 1.00 0.00 O ATOM 547 OD2 ASP A 37 9.683 -15.826 8.508 1.00 0.00 O ATOM 0 H ASP A 37 7.580 -13.163 6.163 1.00 0.00 H new ATOM 0 HA ASP A 37 10.447 -13.613 6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.083 -15.091 6.786 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.922 -15.982 5.532 1.00 0.00 H new ATOM 552 N GLY A 38 8.934 -13.227 3.348 1.00 0.00 N ATOM 553 CA GLY A 38 9.156 -13.095 1.922 1.00 0.00 C ATOM 554 C GLY A 38 8.112 -13.818 1.083 1.00 0.00 C ATOM 555 O GLY A 38 8.126 -13.670 -0.134 1.00 0.00 O ATOM 0 H GLY A 38 8.191 -12.624 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.157 -12.038 1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.144 -13.486 1.677 1.00 0.00 H new ATOM 559 N THR A 39 7.169 -14.519 1.713 1.00 0.00 N ATOM 560 CA THR A 39 6.033 -15.150 1.072 1.00 0.00 C ATOM 561 C THR A 39 5.187 -14.072 0.396 1.00 0.00 C ATOM 562 O THR A 39 4.489 -13.315 1.073 1.00 0.00 O ATOM 563 CB THR A 39 5.231 -15.905 2.144 1.00 0.00 C ATOM 564 OG1 THR A 39 6.070 -16.777 2.872 1.00 0.00 O ATOM 565 CG2 THR A 39 4.092 -16.713 1.541 1.00 0.00 C ATOM 0 H THR A 39 7.183 -14.664 2.723 1.00 0.00 H new ATOM 0 HA THR A 39 6.352 -15.861 0.309 1.00 0.00 H new ATOM 0 HB THR A 39 4.810 -15.150 2.808 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.543 -17.248 3.551 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.553 -17.230 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.411 -16.045 1.015 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.496 -17.444 0.841 1.00 0.00 H new ATOM 573 N ALA A 40 5.256 -13.935 -0.922 1.00 0.00 N ATOM 574 CA ALA A 40 4.326 -13.101 -1.649 1.00 0.00 C ATOM 575 C ALA A 40 2.945 -13.746 -1.643 1.00 0.00 C ATOM 576 O ALA A 40 2.749 -14.861 -2.128 1.00 0.00 O ATOM 577 CB ALA A 40 4.832 -12.873 -3.055 1.00 0.00 C ATOM 0 H ALA A 40 5.953 -14.396 -1.506 1.00 0.00 H new ATOM 0 HA ALA A 40 4.243 -12.128 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.127 -12.244 -3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.803 -12.380 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.931 -13.831 -3.566 1.00 0.00 H new ATOM 583 N ARG A 41 1.985 -13.033 -1.067 1.00 0.00 N ATOM 584 CA ARG A 41 0.576 -13.373 -1.121 1.00 0.00 C ATOM 585 C ARG A 41 0.039 -13.083 -2.509 1.00 0.00 C ATOM 586 O ARG A 41 0.529 -12.189 -3.208 1.00 0.00 O ATOM 587 CB ARG A 41 -0.178 -12.529 -0.090 1.00 0.00 C ATOM 588 CG ARG A 41 0.074 -13.077 1.311 1.00 0.00 C ATOM 589 CD ARG A 41 -0.204 -12.022 2.385 1.00 0.00 C ATOM 590 NE ARG A 41 -0.688 -12.675 3.607 1.00 0.00 N ATOM 591 CZ ARG A 41 -0.712 -12.164 4.840 1.00 0.00 C ATOM 592 NH1 ARG A 41 -0.169 -10.990 5.128 1.00 0.00 N ATOM 593 NH2 ARG A 41 -1.321 -12.829 5.806 1.00 0.00 N ATOM 0 H ARG A 41 2.174 -12.182 -0.537 1.00 0.00 H new ATOM 0 HA ARG A 41 0.441 -14.432 -0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.148 -11.491 -0.148 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.246 -12.540 -0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.560 -13.947 1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.107 -13.415 1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.704 -11.458 2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.945 -11.309 2.024 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.046 -13.625 3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.286 -10.445 4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.207 -10.631 6.082 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.767 -13.724 5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.345 -12.447 6.752 1.00 0.00 H new ATOM 607 N ALA A 42 -1.032 -13.788 -2.851 1.00 0.00 N ATOM 608 CA ALA A 42 -1.875 -13.398 -3.971 1.00 0.00 C ATOM 609 C ALA A 42 -2.717 -12.199 -3.546 1.00 0.00 C ATOM 610 O ALA A 42 -3.208 -12.138 -2.413 1.00 0.00 O ATOM 611 CB ALA A 42 -2.760 -14.561 -4.432 1.00 0.00 C ATOM 0 H ALA A 42 -1.336 -14.633 -2.368 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.250 -13.124 -4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.378 -14.238 -5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.131 -15.395 -4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.401 -14.879 -3.610 1.00 0.00 H new ATOM 617 N VAL A 43 -2.898 -11.265 -4.474 1.00 0.00 N ATOM 618 CA VAL A 43 -3.776 -10.110 -4.355 1.00 0.00 C ATOM 619 C VAL A 43 -4.497 -9.912 -5.701 1.00 0.00 C ATOM 620 O VAL A 43 -3.990 -10.382 -6.727 1.00 0.00 O ATOM 621 CB VAL A 43 -2.965 -8.865 -3.922 1.00 0.00 C ATOM 622 CG1 VAL A 43 -2.396 -9.012 -2.503 1.00 0.00 C ATOM 623 CG2 VAL A 43 -1.800 -8.529 -4.862 1.00 0.00 C ATOM 0 H VAL A 43 -2.413 -11.296 -5.371 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.529 -10.269 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.689 -8.051 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.835 -8.115 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.214 -9.147 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.735 -9.878 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.279 -7.645 -4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.108 -9.370 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.185 -8.333 -5.863 1.00 0.00 H new ATOM 633 N PRO A 44 -5.647 -9.218 -5.743 1.00 0.00 N ATOM 634 CA PRO A 44 -6.356 -8.972 -6.990 1.00 0.00 C ATOM 635 C PRO A 44 -5.541 -8.015 -7.868 1.00 0.00 C ATOM 636 O PRO A 44 -5.425 -6.830 -7.544 1.00 0.00 O ATOM 637 CB PRO A 44 -7.725 -8.411 -6.585 1.00 0.00 C ATOM 638 CG PRO A 44 -7.477 -7.788 -5.218 1.00 0.00 C ATOM 639 CD PRO A 44 -6.362 -8.637 -4.615 1.00 0.00 C ATOM 0 HA PRO A 44 -6.494 -9.871 -7.590 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.082 -7.672 -7.302 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.479 -9.196 -6.535 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.179 -6.743 -5.305 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.375 -7.813 -4.600 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.696 -8.029 -4.002 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.769 -9.414 -3.969 1.00 0.00 H new ATOM 647 N SER A 45 -4.960 -8.512 -8.966 1.00 0.00 N ATOM 648 CA SER A 45 -4.265 -7.705 -9.954 1.00 0.00 C ATOM 649 C SER A 45 -5.242 -6.736 -10.642 1.00 0.00 C ATOM 650 O SER A 45 -6.456 -6.857 -10.466 1.00 0.00 O ATOM 651 CB SER A 45 -3.635 -8.666 -10.975 1.00 0.00 C ATOM 652 OG SER A 45 -3.377 -9.963 -10.457 1.00 0.00 O ATOM 0 H SER A 45 -4.964 -9.507 -9.190 1.00 0.00 H new ATOM 0 HA SER A 45 -3.492 -7.100 -9.480 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.299 -8.754 -11.835 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.701 -8.236 -11.336 1.00 0.00 H new ATOM 0 HG SER A 45 -2.979 -10.522 -11.157 1.00 0.00 H new ATOM 658 N ALA A 46 -4.751 -5.829 -11.494 1.00 0.00 N ATOM 659 CA ALA A 46 -5.617 -5.008 -12.338 1.00 0.00 C ATOM 660 C ALA A 46 -6.567 -5.892 -13.144 1.00 0.00 C ATOM 661 O ALA A 46 -7.787 -5.780 -13.012 1.00 0.00 O ATOM 662 CB ALA A 46 -4.779 -4.090 -13.227 1.00 0.00 C ATOM 0 H ALA A 46 -3.755 -5.647 -11.615 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.233 -4.368 -11.707 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.438 -3.485 -13.849 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.169 -3.437 -12.603 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.131 -4.692 -13.864 1.00 0.00 H new ATOM 668 N ASP A 47 -6.008 -6.815 -13.927 1.00 0.00 N ATOM 669 CA ASP A 47 -6.784 -7.683 -14.807 1.00 0.00 C ATOM 670 C ASP A 47 -7.589 -8.747 -14.052 1.00 0.00 C ATOM 671 O ASP A 47 -8.419 -9.411 -14.663 1.00 0.00 O ATOM 672 CB ASP A 47 -5.890 -8.313 -15.890 1.00 0.00 C ATOM 673 CG ASP A 47 -5.474 -7.288 -16.950 1.00 0.00 C ATOM 674 OD1 ASP A 47 -6.328 -6.881 -17.779 1.00 0.00 O ATOM 675 OD2 ASP A 47 -4.303 -6.849 -16.926 1.00 0.00 O ATOM 0 H ASP A 47 -5.002 -6.981 -13.968 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.520 -7.046 -15.298 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.000 -8.737 -15.425 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.423 -9.135 -16.368 1.00 0.00 H new ATOM 680 N GLN A 48 -7.429 -8.891 -12.728 1.00 0.00 N ATOM 681 CA GLN A 48 -8.304 -9.770 -11.947 1.00 0.00 C ATOM 682 C GLN A 48 -9.744 -9.240 -11.871 1.00 0.00 C ATOM 683 O GLN A 48 -10.636 -9.999 -11.488 1.00 0.00 O ATOM 684 CB GLN A 48 -7.751 -10.009 -10.529 1.00 0.00 C ATOM 685 CG GLN A 48 -6.601 -11.016 -10.468 1.00 0.00 C ATOM 686 CD GLN A 48 -7.044 -12.412 -10.854 1.00 0.00 C ATOM 687 OE1 GLN A 48 -7.951 -12.989 -10.249 1.00 0.00 O ATOM 688 NE2 GLN A 48 -6.410 -12.994 -11.849 1.00 0.00 N ATOM 0 H GLN A 48 -6.710 -8.415 -12.183 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.326 -10.723 -12.475 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.409 -9.059 -10.119 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.561 -10.360 -9.889 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.801 -10.693 -11.134 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.188 -11.033 -9.459 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.663 -12.500 -12.336 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.666 -13.940 -12.133 1.00 0.00 H new ATOM 697 N GLY A 49 -10.008 -7.984 -12.241 1.00 0.00 N ATOM 698 CA GLY A 49 -11.351 -7.436 -12.317 1.00 0.00 C ATOM 699 C GLY A 49 -11.486 -6.142 -11.534 1.00 0.00 C ATOM 700 O GLY A 49 -11.611 -5.068 -12.123 1.00 0.00 O ATOM 0 H GLY A 49 -9.281 -7.316 -12.498 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.610 -7.256 -13.360 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.063 -8.167 -11.933 1.00 0.00 H new ATOM 704 N ALA A 50 -11.491 -6.245 -10.212 1.00 0.00 N ATOM 705 CA ALA A 50 -11.666 -5.149 -9.265 1.00 0.00 C ATOM 706 C ALA A 50 -10.403 -5.007 -8.397 1.00 0.00 C ATOM 707 O ALA A 50 -10.313 -5.655 -7.351 1.00 0.00 O ATOM 708 CB ALA A 50 -12.936 -5.384 -8.443 1.00 0.00 C ATOM 0 H ALA A 50 -11.366 -7.143 -9.745 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.795 -4.203 -9.791 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.068 -4.566 -7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.797 -5.430 -9.109 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.848 -6.324 -7.899 1.00 0.00 H new ATOM 714 N PRO A 51 -9.375 -4.274 -8.861 1.00 0.00 N ATOM 715 CA PRO A 51 -8.126 -4.085 -8.125 1.00 0.00 C ATOM 716 C PRO A 51 -8.281 -3.145 -6.928 1.00 0.00 C ATOM 717 O PRO A 51 -9.228 -2.362 -6.839 1.00 0.00 O ATOM 718 CB PRO A 51 -7.136 -3.513 -9.142 1.00 0.00 C ATOM 719 CG PRO A 51 -8.034 -2.822 -10.168 1.00 0.00 C ATOM 720 CD PRO A 51 -9.279 -3.695 -10.191 1.00 0.00 C ATOM 0 HA PRO A 51 -7.786 -5.030 -7.701 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.444 -2.811 -8.677 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.534 -4.297 -9.600 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.266 -1.798 -9.874 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.560 -2.772 -11.148 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.166 -3.107 -10.427 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.199 -4.472 -10.952 1.00 0.00 H new ATOM 728 N ILE A 52 -7.298 -3.186 -6.027 1.00 0.00 N ATOM 729 CA ILE A 52 -7.226 -2.331 -4.851 1.00 0.00 C ATOM 730 C ILE A 52 -6.523 -1.023 -5.235 1.00 0.00 C ATOM 731 O ILE A 52 -5.301 -0.904 -5.114 1.00 0.00 O ATOM 732 CB ILE A 52 -6.549 -3.103 -3.698 1.00 0.00 C ATOM 733 CG1 ILE A 52 -7.438 -4.315 -3.325 1.00 0.00 C ATOM 734 CG2 ILE A 52 -6.375 -2.159 -2.490 1.00 0.00 C ATOM 735 CD1 ILE A 52 -7.066 -5.061 -2.038 1.00 0.00 C ATOM 0 H ILE A 52 -6.512 -3.832 -6.101 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.216 -2.057 -4.487 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.566 -3.463 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.468 -3.969 -3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.412 -5.025 -4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.897 -2.699 -1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.753 -1.311 -2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.351 -1.799 -2.166 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.759 -5.888 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.051 -5.449 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.123 -4.377 -1.191 1.00 0.00 H new ATOM 747 N THR A 53 -7.280 -0.039 -5.713 1.00 0.00 N ATOM 748 CA THR A 53 -6.746 1.226 -6.236 1.00 0.00 C ATOM 749 C THR A 53 -7.077 2.257 -5.142 1.00 0.00 C ATOM 750 O THR A 53 -8.203 2.312 -4.630 1.00 0.00 O ATOM 751 CB THR A 53 -7.257 1.577 -7.664 1.00 0.00 C ATOM 752 OG1 THR A 53 -8.365 2.459 -7.708 1.00 0.00 O ATOM 753 CG2 THR A 53 -7.734 0.353 -8.453 1.00 0.00 C ATOM 0 H THR A 53 -8.298 -0.094 -5.751 1.00 0.00 H new ATOM 0 HA THR A 53 -5.671 1.185 -6.413 1.00 0.00 H new ATOM 0 HB THR A 53 -6.370 2.043 -8.094 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.615 2.624 -8.641 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.077 0.667 -9.439 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.911 -0.353 -8.563 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.554 -0.127 -7.919 1.00 0.00 H new ATOM 761 N LEU A 54 -6.084 3.040 -4.731 1.00 0.00 N ATOM 762 CA LEU A 54 -6.160 4.023 -3.655 1.00 0.00 C ATOM 763 C LEU A 54 -5.976 5.395 -4.293 1.00 0.00 C ATOM 764 O LEU A 54 -5.077 5.576 -5.109 1.00 0.00 O ATOM 765 CB LEU A 54 -5.008 3.744 -2.679 1.00 0.00 C ATOM 766 CG LEU A 54 -4.783 4.848 -1.629 1.00 0.00 C ATOM 767 CD1 LEU A 54 -5.929 5.000 -0.634 1.00 0.00 C ATOM 768 CD2 LEU A 54 -3.503 4.566 -0.845 1.00 0.00 C ATOM 0 H LEU A 54 -5.159 3.004 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.109 3.977 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.204 2.804 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.089 3.609 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.714 5.779 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.695 5.797 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.845 5.248 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.067 4.064 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.350 5.351 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.589 3.603 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.655 4.543 -1.529 1.00 0.00 H new ATOM 780 N THR A 55 -6.727 6.395 -3.870 1.00 0.00 N ATOM 781 CA THR A 55 -6.494 7.791 -4.206 1.00 0.00 C ATOM 782 C THR A 55 -6.413 8.555 -2.887 1.00 0.00 C ATOM 783 O THR A 55 -7.194 8.292 -1.967 1.00 0.00 O ATOM 784 CB THR A 55 -7.605 8.263 -5.166 1.00 0.00 C ATOM 785 OG1 THR A 55 -7.357 7.703 -6.447 1.00 0.00 O ATOM 786 CG2 THR A 55 -7.747 9.788 -5.219 1.00 0.00 C ATOM 0 H THR A 55 -7.538 6.257 -3.267 1.00 0.00 H new ATOM 0 HA THR A 55 -5.560 7.964 -4.740 1.00 0.00 H new ATOM 0 HB THR A 55 -8.565 7.910 -4.790 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.055 7.992 -7.071 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.545 10.055 -5.912 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.988 10.166 -4.225 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.810 10.229 -5.558 1.00 0.00 H new ATOM 794 N LEU A 56 -5.468 9.483 -2.761 1.00 0.00 N ATOM 795 CA LEU A 56 -5.475 10.435 -1.666 1.00 0.00 C ATOM 796 C LEU A 56 -5.745 11.784 -2.303 1.00 0.00 C ATOM 797 O LEU A 56 -5.090 12.121 -3.289 1.00 0.00 O ATOM 798 CB LEU A 56 -4.130 10.471 -0.950 1.00 0.00 C ATOM 799 CG LEU A 56 -3.538 9.147 -0.433 1.00 0.00 C ATOM 800 CD1 LEU A 56 -4.476 8.439 0.542 1.00 0.00 C ATOM 801 CD2 LEU A 56 -3.029 8.127 -1.455 1.00 0.00 C ATOM 0 H LEU A 56 -4.687 9.592 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.224 10.163 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.404 10.916 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.225 11.146 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.637 9.512 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.016 7.510 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.663 9.084 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.419 8.216 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.644 7.251 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.848 7.829 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.233 8.574 -2.050 1.00 0.00 H new ATOM 813 N SER A 57 -6.731 12.504 -1.782 1.00 0.00 N ATOM 814 CA SER A 57 -7.040 13.858 -2.202 1.00 0.00 C ATOM 815 C SER A 57 -8.053 14.440 -1.210 1.00 0.00 C ATOM 816 O SER A 57 -8.583 13.731 -0.344 1.00 0.00 O ATOM 817 CB SER A 57 -7.613 13.820 -3.636 1.00 0.00 C ATOM 818 OG SER A 57 -7.798 15.117 -4.159 1.00 0.00 O ATOM 0 H SER A 57 -7.345 12.155 -1.046 1.00 0.00 H new ATOM 0 HA SER A 57 -6.150 14.487 -2.211 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.938 13.260 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.565 13.290 -3.633 1.00 0.00 H new ATOM 0 HG SER A 57 -8.160 15.055 -5.068 1.00 0.00 H new ATOM 824 N THR A 58 -8.413 15.704 -1.407 1.00 0.00 N ATOM 825 CA THR A 58 -9.558 16.373 -0.820 1.00 0.00 C ATOM 826 C THR A 58 -10.762 16.274 -1.776 1.00 0.00 C ATOM 827 O THR A 58 -11.440 17.269 -2.049 1.00 0.00 O ATOM 828 CB THR A 58 -9.162 17.807 -0.403 1.00 0.00 C ATOM 829 OG1 THR A 58 -8.587 18.562 -1.457 1.00 0.00 O ATOM 830 CG2 THR A 58 -8.177 17.792 0.770 1.00 0.00 C ATOM 0 H THR A 58 -7.878 16.321 -2.018 1.00 0.00 H new ATOM 0 HA THR A 58 -9.880 15.883 0.099 1.00 0.00 H new ATOM 0 HB THR A 58 -10.097 18.286 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.360 19.458 -1.132 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.917 18.816 1.040 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.637 17.297 1.625 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.275 17.253 0.481 1.00 0.00 H new ATOM 838 N SER A 59 -11.050 15.075 -2.302 1.00 0.00 N ATOM 839 CA SER A 59 -12.153 14.842 -3.231 1.00 0.00 C ATOM 840 C SER A 59 -13.484 15.177 -2.558 1.00 0.00 C ATOM 841 O SER A 59 -14.260 15.967 -3.089 1.00 0.00 O ATOM 842 CB SER A 59 -12.093 13.391 -3.725 1.00 0.00 C ATOM 843 OG SER A 59 -13.007 13.118 -4.772 1.00 0.00 O ATOM 0 H SER A 59 -10.515 14.233 -2.089 1.00 0.00 H new ATOM 0 HA SER A 59 -12.065 15.495 -4.099 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.082 13.173 -4.069 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.297 12.721 -2.890 1.00 0.00 H new ATOM 0 HG SER A 59 -12.921 12.181 -5.045 1.00 0.00 H new ATOM 849 N THR A 60 -13.748 14.620 -1.370 1.00 0.00 N ATOM 850 CA THR A 60 -14.973 14.946 -0.652 1.00 0.00 C ATOM 851 C THR A 60 -14.923 16.377 -0.096 1.00 0.00 C ATOM 852 O THR A 60 -15.981 16.956 0.172 1.00 0.00 O ATOM 853 CB THR A 60 -15.237 13.889 0.442 1.00 0.00 C ATOM 854 OG1 THR A 60 -16.556 14.024 0.932 1.00 0.00 O ATOM 855 CG2 THR A 60 -14.284 13.974 1.640 1.00 0.00 C ATOM 0 H THR A 60 -13.138 13.953 -0.897 1.00 0.00 H new ATOM 0 HA THR A 60 -15.815 14.918 -1.344 1.00 0.00 H new ATOM 0 HB THR A 60 -15.075 12.926 -0.042 1.00 0.00 H new ATOM 0 HG1 THR A 60 -16.718 13.350 1.625 1.00 0.00 H new ATOM 0 HG21 THR A 60 -14.537 13.198 2.362 1.00 0.00 H new ATOM 0 HG22 THR A 60 -13.258 13.833 1.300 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.378 14.952 2.111 1.00 0.00 H new ATOM 863 N GLY A 61 -13.725 16.923 0.145 1.00 0.00 N ATOM 864 CA GLY A 61 -13.490 18.153 0.896 1.00 0.00 C ATOM 865 C GLY A 61 -12.819 17.931 2.251 1.00 0.00 C ATOM 866 O GLY A 61 -12.572 18.912 2.953 1.00 0.00 O ATOM 0 H GLY A 61 -12.861 16.500 -0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.868 18.819 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.442 18.660 1.052 1.00 0.00 H new ATOM 870 N GLN A 62 -12.516 16.683 2.620 1.00 0.00 N ATOM 871 CA GLN A 62 -11.641 16.306 3.725 1.00 0.00 C ATOM 872 C GLN A 62 -10.457 15.533 3.159 1.00 0.00 C ATOM 873 O GLN A 62 -10.590 14.906 2.105 1.00 0.00 O ATOM 874 CB GLN A 62 -12.381 15.452 4.744 1.00 0.00 C ATOM 875 CG GLN A 62 -13.151 16.378 5.685 1.00 0.00 C ATOM 876 CD GLN A 62 -14.419 15.702 6.125 1.00 0.00 C ATOM 877 OE1 GLN A 62 -14.475 14.997 7.129 1.00 0.00 O ATOM 878 NE2 GLN A 62 -15.462 15.867 5.345 1.00 0.00 N ATOM 0 H GLN A 62 -12.894 15.872 2.130 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.298 17.206 4.235 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.066 14.769 4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.677 14.839 5.307 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -12.538 16.625 6.552 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.382 17.316 5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -15.391 16.458 4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -16.344 15.405 5.568 1.00 0.00 H new ATOM 887 N ARG A 63 -9.334 15.548 3.873 1.00 0.00 N ATOM 888 CA ARG A 63 -8.094 14.872 3.489 1.00 0.00 C ATOM 889 C ARG A 63 -8.215 13.370 3.764 1.00 0.00 C ATOM 890 O ARG A 63 -7.718 12.866 4.780 1.00 0.00 O ATOM 891 CB ARG A 63 -6.890 15.538 4.189 1.00 0.00 C ATOM 892 CG ARG A 63 -7.051 15.726 5.708 1.00 0.00 C ATOM 893 CD ARG A 63 -5.715 15.704 6.454 1.00 0.00 C ATOM 894 NE ARG A 63 -4.903 16.897 6.158 1.00 0.00 N ATOM 895 CZ ARG A 63 -4.864 18.040 6.855 1.00 0.00 C ATOM 896 NH1 ARG A 63 -5.561 18.184 7.983 1.00 0.00 N ATOM 897 NH2 ARG A 63 -4.104 19.026 6.402 1.00 0.00 N ATOM 0 H ARG A 63 -9.258 16.045 4.761 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.919 14.976 2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.001 14.935 4.004 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.716 16.512 3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.554 16.674 5.901 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.694 14.938 6.101 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.899 15.647 7.527 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.159 14.808 6.177 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.306 16.847 5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.136 17.416 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.519 19.062 8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.568 18.903 5.543 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.055 19.908 6.912 1.00 0.00 H new ATOM 911 N HIS A 64 -8.912 12.639 2.890 1.00 0.00 N ATOM 912 CA HIS A 64 -9.213 11.240 3.106 1.00 0.00 C ATOM 913 C HIS A 64 -8.882 10.346 1.918 1.00 0.00 C ATOM 914 O HIS A 64 -8.679 10.794 0.790 1.00 0.00 O ATOM 915 CB HIS A 64 -10.661 11.092 3.583 1.00 0.00 C ATOM 916 CG HIS A 64 -11.764 11.082 2.560 1.00 0.00 C ATOM 917 ND1 HIS A 64 -13.023 10.568 2.759 1.00 0.00 N ATOM 918 CD2 HIS A 64 -11.699 11.528 1.273 1.00 0.00 C ATOM 919 CE1 HIS A 64 -13.693 10.655 1.599 1.00 0.00 C ATOM 920 NE2 HIS A 64 -12.922 11.229 0.658 1.00 0.00 N ATOM 0 H HIS A 64 -9.280 13.011 2.014 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.551 10.879 3.893 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.728 10.163 4.150 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.864 11.906 4.279 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -13.384 10.188 3.634 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.857 12.022 0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -14.706 10.313 1.444 1.00 0.00 H new ATOM 928 N ALA A 65 -8.831 9.051 2.211 1.00 0.00 N ATOM 929 CA ALA A 65 -8.555 7.983 1.280 1.00 0.00 C ATOM 930 C ALA A 65 -9.878 7.290 1.001 1.00 0.00 C ATOM 931 O ALA A 65 -10.336 6.507 1.839 1.00 0.00 O ATOM 932 CB ALA A 65 -7.582 7.012 1.945 1.00 0.00 C ATOM 0 H ALA A 65 -8.991 8.708 3.158 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.115 8.347 0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.358 6.195 1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.661 7.536 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.032 6.611 2.853 1.00 0.00 H new ATOM 938 N SER A 66 -10.512 7.591 -0.126 1.00 0.00 N ATOM 939 CA SER A 66 -11.807 7.038 -0.484 1.00 0.00 C ATOM 940 C SER A 66 -11.686 6.018 -1.633 1.00 0.00 C ATOM 941 O SER A 66 -12.226 6.186 -2.732 1.00 0.00 O ATOM 942 CB SER A 66 -12.768 8.183 -0.772 1.00 0.00 C ATOM 943 OG SER A 66 -12.146 9.350 -1.287 1.00 0.00 O ATOM 0 H SER A 66 -10.135 8.233 -0.823 1.00 0.00 H new ATOM 0 HA SER A 66 -12.217 6.468 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.519 7.841 -1.484 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.294 8.441 0.147 1.00 0.00 H new ATOM 0 HG SER A 66 -12.400 10.124 -0.742 1.00 0.00 H new ATOM 949 N GLY A 67 -10.977 4.933 -1.354 1.00 0.00 N ATOM 950 CA GLY A 67 -10.434 4.000 -2.348 1.00 0.00 C ATOM 951 C GLY A 67 -11.153 2.667 -2.303 1.00 0.00 C ATOM 952 O GLY A 67 -11.916 2.423 -1.372 1.00 0.00 O ATOM 0 H GLY A 67 -10.753 4.663 -0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.527 4.432 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.370 3.848 -2.164 1.00 0.00 H new ATOM 956 N PHE A 68 -10.922 1.800 -3.288 1.00 0.00 N ATOM 957 CA PHE A 68 -11.566 0.494 -3.359 1.00 0.00 C ATOM 958 C PHE A 68 -10.624 -0.534 -2.726 1.00 0.00 C ATOM 959 O PHE A 68 -9.448 -0.559 -3.084 1.00 0.00 O ATOM 960 CB PHE A 68 -11.939 0.162 -4.811 1.00 0.00 C ATOM 961 CG PHE A 68 -12.895 -1.017 -4.938 1.00 0.00 C ATOM 962 CD1 PHE A 68 -14.270 -0.851 -4.665 1.00 0.00 C ATOM 963 CD2 PHE A 68 -12.414 -2.295 -5.280 1.00 0.00 C ATOM 964 CE1 PHE A 68 -15.140 -1.955 -4.675 1.00 0.00 C ATOM 965 CE2 PHE A 68 -13.292 -3.394 -5.320 1.00 0.00 C ATOM 966 CZ PHE A 68 -14.653 -3.228 -5.012 1.00 0.00 C ATOM 0 H PHE A 68 -10.281 1.986 -4.060 1.00 0.00 H new ATOM 0 HA PHE A 68 -12.503 0.484 -2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.394 1.039 -5.271 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -11.029 -0.056 -5.371 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -14.657 0.133 -4.446 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -11.368 -2.432 -5.512 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.182 -1.824 -4.424 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -12.918 -4.371 -5.589 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.321 -4.076 -5.034 1.00 0.00 H new ATOM 976 N SER A 69 -11.106 -1.369 -1.796 1.00 0.00 N ATOM 977 CA SER A 69 -10.421 -2.593 -1.387 1.00 0.00 C ATOM 978 C SER A 69 -11.212 -3.776 -1.946 1.00 0.00 C ATOM 979 O SER A 69 -12.284 -3.585 -2.512 1.00 0.00 O ATOM 980 CB SER A 69 -10.261 -2.688 0.136 1.00 0.00 C ATOM 981 OG SER A 69 -9.329 -3.703 0.459 1.00 0.00 O ATOM 0 H SER A 69 -11.987 -1.210 -1.306 1.00 0.00 H new ATOM 0 HA SER A 69 -9.407 -2.595 -1.786 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.924 -1.732 0.536 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.224 -2.905 0.599 1.00 0.00 H new ATOM 0 HG SER A 69 -8.507 -3.295 0.804 1.00 0.00 H new ATOM 987 N GLY A 70 -10.684 -4.989 -1.762 1.00 0.00 N ATOM 988 CA GLY A 70 -10.939 -6.194 -2.545 1.00 0.00 C ATOM 989 C GLY A 70 -12.396 -6.491 -2.889 1.00 0.00 C ATOM 990 O GLY A 70 -12.658 -7.066 -3.947 1.00 0.00 O ATOM 0 H GLY A 70 -10.020 -5.164 -1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.378 -6.120 -3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.538 -7.047 -1.998 1.00 0.00 H new ATOM 994 N CYS A 71 -13.353 -6.083 -2.046 1.00 0.00 N ATOM 995 CA CYS A 71 -14.752 -6.134 -2.419 1.00 0.00 C ATOM 996 C CYS A 71 -15.503 -4.875 -2.044 1.00 0.00 C ATOM 997 O CYS A 71 -16.515 -4.569 -2.667 1.00 0.00 O ATOM 998 CB CYS A 71 -15.415 -7.330 -1.749 1.00 0.00 C ATOM 999 SG CYS A 71 -17.133 -7.509 -2.279 1.00 0.00 S ATOM 0 H CYS A 71 -13.175 -5.718 -1.110 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.791 -6.228 -3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.861 -8.238 -1.990 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.377 -7.211 -0.666 1.00 0.00 H new ATOM 1004 N ASN A 72 -15.071 -4.151 -1.019 1.00 0.00 N ATOM 1005 CA ASN A 72 -15.729 -2.937 -0.596 1.00 0.00 C ATOM 1006 C ASN A 72 -14.653 -1.884 -0.502 1.00 0.00 C ATOM 1007 O ASN A 72 -13.530 -2.129 -0.056 1.00 0.00 O ATOM 1008 CB ASN A 72 -16.568 -3.078 0.691 1.00 0.00 C ATOM 1009 CG ASN A 72 -16.417 -4.367 1.486 1.00 0.00 C ATOM 1010 OD1 ASN A 72 -15.852 -4.359 2.568 1.00 0.00 O ATOM 1011 ND2 ASN A 72 -16.957 -5.485 1.020 1.00 0.00 N ATOM 0 H ASN A 72 -14.253 -4.396 -0.462 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.486 -2.654 -1.327 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.319 -2.245 1.349 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.619 -2.969 0.422 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.902 -6.344 1.566 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.428 -5.485 0.115 1.00 0.00 H new ATOM 1018 N ARG A 73 -15.012 -0.706 -0.994 1.00 0.00 N ATOM 1019 CA ARG A 73 -14.234 0.503 -0.846 1.00 0.00 C ATOM 1020 C ARG A 73 -14.172 0.918 0.613 1.00 0.00 C ATOM 1021 O ARG A 73 -14.600 0.200 1.513 1.00 0.00 O ATOM 1022 CB ARG A 73 -14.769 1.604 -1.795 1.00 0.00 C ATOM 1023 CG ARG A 73 -16.287 1.733 -1.761 1.00 0.00 C ATOM 1024 CD ARG A 73 -16.737 3.073 -2.345 1.00 0.00 C ATOM 1025 NE ARG A 73 -18.058 3.428 -1.811 1.00 0.00 N ATOM 1026 CZ ARG A 73 -18.373 4.600 -1.256 1.00 0.00 C ATOM 1027 NH1 ARG A 73 -17.622 5.678 -1.464 1.00 0.00 N ATOM 1028 NH2 ARG A 73 -19.431 4.677 -0.464 1.00 0.00 N ATOM 0 H ARG A 73 -15.875 -0.568 -1.519 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.202 0.322 -1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.322 2.560 -1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.451 1.383 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.738 0.917 -2.326 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.640 1.643 -0.734 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.013 3.850 -2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.779 3.011 -3.432 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.793 2.723 -1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.793 5.616 -2.055 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.875 6.567 -1.033 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.995 3.846 -0.284 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.682 5.567 -0.034 1.00 0.00 H new ATOM 1042 N TYR A 74 -13.578 2.069 0.859 1.00 0.00 N ATOM 1043 CA TYR A 74 -13.459 2.650 2.166 1.00 0.00 C ATOM 1044 C TYR A 74 -13.437 4.154 2.041 1.00 0.00 C ATOM 1045 O TYR A 74 -13.360 4.702 0.944 1.00 0.00 O ATOM 1046 CB TYR A 74 -12.235 2.073 2.878 1.00 0.00 C ATOM 1047 CG TYR A 74 -10.947 2.041 2.049 1.00 0.00 C ATOM 1048 CD1 TYR A 74 -10.060 3.140 2.065 1.00 0.00 C ATOM 1049 CD2 TYR A 74 -10.657 0.941 1.212 1.00 0.00 C ATOM 1050 CE1 TYR A 74 -8.873 3.116 1.303 1.00 0.00 C ATOM 1051 CE2 TYR A 74 -9.480 0.924 0.439 1.00 0.00 C ATOM 1052 CZ TYR A 74 -8.562 1.985 0.521 1.00 0.00 C ATOM 1053 OH TYR A 74 -7.377 1.895 -0.141 1.00 0.00 O ATOM 0 H TYR A 74 -13.154 2.637 0.126 1.00 0.00 H new ATOM 0 HA TYR A 74 -14.319 2.398 2.786 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -12.052 2.657 3.780 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -12.467 1.057 3.197 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.293 4.007 2.666 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.342 0.108 1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.203 3.963 1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.282 0.092 -0.220 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.337 1.045 -0.627 1.00 0.00 H new ATOM 1063 N MET A 75 -13.570 4.817 3.179 1.00 0.00 N ATOM 1064 CA MET A 75 -13.329 6.224 3.398 1.00 0.00 C ATOM 1065 C MET A 75 -12.973 6.364 4.876 1.00 0.00 C ATOM 1066 O MET A 75 -13.378 5.529 5.690 1.00 0.00 O ATOM 1067 CB MET A 75 -14.554 7.063 2.988 1.00 0.00 C ATOM 1068 CG MET A 75 -15.905 6.608 3.569 1.00 0.00 C ATOM 1069 SD MET A 75 -17.218 6.249 2.362 1.00 0.00 S ATOM 1070 CE MET A 75 -16.650 4.661 1.717 1.00 0.00 C ATOM 0 H MET A 75 -13.871 4.346 4.032 1.00 0.00 H new ATOM 0 HA MET A 75 -12.513 6.602 2.782 1.00 0.00 H new ATOM 0 HB2 MET A 75 -14.380 8.096 3.289 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.627 7.056 1.900 1.00 0.00 H new ATOM 0 HG2 MET A 75 -15.736 5.713 4.168 1.00 0.00 H new ATOM 0 HG3 MET A 75 -16.265 7.382 4.247 1.00 0.00 H new ATOM 0 HE1 MET A 75 -17.508 4.072 1.394 1.00 0.00 H new ATOM 0 HE2 MET A 75 -15.985 4.829 0.870 1.00 0.00 H new ATOM 0 HE3 MET A 75 -16.113 4.122 2.498 1.00 0.00 H new ATOM 1080 N GLY A 76 -12.214 7.398 5.228 1.00 0.00 N ATOM 1081 CA GLY A 76 -12.069 7.827 6.613 1.00 0.00 C ATOM 1082 C GLY A 76 -11.469 9.224 6.625 1.00 0.00 C ATOM 1083 O GLY A 76 -12.075 10.155 6.095 1.00 0.00 O ATOM 0 H GLY A 76 -11.684 7.960 4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.038 7.826 7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.428 7.135 7.159 1.00 0.00 H new ATOM 1087 N SER A 77 -10.244 9.331 7.128 1.00 0.00 N ATOM 1088 CA SER A 77 -9.280 10.393 6.860 1.00 0.00 C ATOM 1089 C SER A 77 -7.886 9.743 6.857 1.00 0.00 C ATOM 1090 O SER A 77 -7.734 8.606 7.328 1.00 0.00 O ATOM 1091 CB SER A 77 -9.391 11.466 7.955 1.00 0.00 C ATOM 1092 OG SER A 77 -9.884 12.687 7.453 1.00 0.00 O ATOM 0 H SER A 77 -9.874 8.634 7.775 1.00 0.00 H new ATOM 0 HA SER A 77 -9.466 10.878 5.902 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.049 11.108 8.747 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.411 11.628 8.404 1.00 0.00 H new ATOM 0 HG SER A 77 -9.941 13.341 8.181 1.00 0.00 H new ATOM 1098 N TYR A 78 -6.849 10.446 6.404 1.00 0.00 N ATOM 1099 CA TYR A 78 -5.438 10.085 6.610 1.00 0.00 C ATOM 1100 C TYR A 78 -4.753 11.200 7.409 1.00 0.00 C ATOM 1101 O TYR A 78 -5.437 12.130 7.846 1.00 0.00 O ATOM 1102 CB TYR A 78 -4.760 9.756 5.273 1.00 0.00 C ATOM 1103 CG TYR A 78 -4.831 10.864 4.247 1.00 0.00 C ATOM 1104 CD1 TYR A 78 -4.030 12.011 4.391 1.00 0.00 C ATOM 1105 CD2 TYR A 78 -5.701 10.751 3.150 1.00 0.00 C ATOM 1106 CE1 TYR A 78 -4.129 13.055 3.465 1.00 0.00 C ATOM 1107 CE2 TYR A 78 -5.804 11.801 2.222 1.00 0.00 C ATOM 1108 CZ TYR A 78 -5.049 12.976 2.397 1.00 0.00 C ATOM 1109 OH TYR A 78 -5.264 14.035 1.582 1.00 0.00 O ATOM 0 H TYR A 78 -6.965 11.306 5.869 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.353 9.172 7.200 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.713 9.517 5.460 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.222 8.861 4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.338 12.086 5.217 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.291 9.856 3.020 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.498 13.926 3.568 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.464 11.706 1.372 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.625 14.747 1.795 1.00 0.00 H new ATOM 1119 N ALA A 79 -3.453 11.092 7.702 1.00 0.00 N ATOM 1120 CA ALA A 79 -2.676 12.163 8.314 1.00 0.00 C ATOM 1121 C ALA A 79 -1.172 11.905 8.179 1.00 0.00 C ATOM 1122 O ALA A 79 -0.642 10.971 8.781 1.00 0.00 O ATOM 1123 CB ALA A 79 -3.024 12.315 9.796 1.00 0.00 C ATOM 0 H ALA A 79 -2.910 10.249 7.517 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.929 13.083 7.787 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.430 13.120 10.228 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.083 12.550 9.899 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.806 11.383 10.318 1.00 0.00 H new ATOM 1129 N LEU A 80 -0.474 12.785 7.464 1.00 0.00 N ATOM 1130 CA LEU A 80 0.952 12.639 7.141 1.00 0.00 C ATOM 1131 C LEU A 80 1.783 12.950 8.384 1.00 0.00 C ATOM 1132 O LEU A 80 1.746 14.087 8.862 1.00 0.00 O ATOM 1133 CB LEU A 80 1.373 13.578 5.983 1.00 0.00 C ATOM 1134 CG LEU A 80 0.567 13.355 4.693 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.555 14.584 3.785 1.00 0.00 C ATOM 1136 CD2 LEU A 80 1.127 12.164 3.925 1.00 0.00 C ATOM 0 H LEU A 80 -0.887 13.637 7.084 1.00 0.00 H new ATOM 0 HA LEU A 80 1.126 11.613 6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.254 14.613 6.303 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.432 13.430 5.771 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.462 13.160 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.028 14.369 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.108 15.424 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.577 14.836 3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.549 12.015 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.169 12.355 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.064 11.269 4.545 1.00 0.00 H new ATOM 1148 N LYS A 81 2.485 11.976 8.964 1.00 0.00 N ATOM 1149 CA LYS A 81 3.374 12.157 10.122 1.00 0.00 C ATOM 1150 C LYS A 81 4.510 11.149 10.009 1.00 0.00 C ATOM 1151 O LYS A 81 4.397 10.238 9.210 1.00 0.00 O ATOM 1152 CB LYS A 81 2.596 11.970 11.439 1.00 0.00 C ATOM 1153 CG LYS A 81 2.024 10.551 11.625 1.00 0.00 C ATOM 1154 CD LYS A 81 1.084 10.447 12.832 1.00 0.00 C ATOM 1155 CE LYS A 81 -0.282 11.071 12.531 1.00 0.00 C ATOM 1156 NZ LYS A 81 -1.207 10.966 13.677 1.00 0.00 N ATOM 0 H LYS A 81 2.453 11.011 8.635 1.00 0.00 H new ATOM 0 HA LYS A 81 3.780 13.169 10.130 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.256 12.199 12.276 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.778 12.689 11.472 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.485 10.260 10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.846 9.845 11.747 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.955 9.400 13.106 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.534 10.948 13.690 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.150 12.120 12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.722 10.578 11.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.118 11.401 13.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.355 9.964 13.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.800 11.459 14.498 1.00 0.00 H new ATOM 1170 N ASP A 82 5.568 11.261 10.809 1.00 0.00 N ATOM 1171 CA ASP A 82 6.678 10.300 10.953 1.00 0.00 C ATOM 1172 C ASP A 82 7.310 9.799 9.647 1.00 0.00 C ATOM 1173 O ASP A 82 7.907 8.723 9.616 1.00 0.00 O ATOM 1174 CB ASP A 82 6.261 9.120 11.852 1.00 0.00 C ATOM 1175 CG ASP A 82 7.437 8.378 12.508 1.00 0.00 C ATOM 1176 OD1 ASP A 82 8.472 9.023 12.825 1.00 0.00 O ATOM 1177 OD2 ASP A 82 7.248 7.165 12.766 1.00 0.00 O ATOM 0 H ASP A 82 5.688 12.073 11.415 1.00 0.00 H new ATOM 0 HA ASP A 82 7.474 10.874 11.428 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.599 9.491 12.634 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.686 8.411 11.257 1.00 0.00 H new ATOM 1182 N GLY A 83 7.192 10.544 8.539 1.00 0.00 N ATOM 1183 CA GLY A 83 7.633 10.061 7.249 1.00 0.00 C ATOM 1184 C GLY A 83 6.782 8.902 6.754 1.00 0.00 C ATOM 1185 O GLY A 83 7.276 8.168 5.910 1.00 0.00 O ATOM 0 H GLY A 83 6.793 11.483 8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.594 10.875 6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.674 9.744 7.317 1.00 0.00 H new ATOM 1189 N LYS A 84 5.558 8.728 7.267 1.00 0.00 N ATOM 1190 CA LYS A 84 4.614 7.654 6.993 1.00 0.00 C ATOM 1191 C LYS A 84 3.240 8.199 6.605 1.00 0.00 C ATOM 1192 O LYS A 84 2.971 9.401 6.707 1.00 0.00 O ATOM 1193 CB LYS A 84 4.561 6.665 8.176 1.00 0.00 C ATOM 1194 CG LYS A 84 3.723 7.025 9.402 1.00 0.00 C ATOM 1195 CD LYS A 84 3.695 5.799 10.332 1.00 0.00 C ATOM 1196 CE LYS A 84 3.961 6.067 11.822 1.00 0.00 C ATOM 1197 NZ LYS A 84 5.127 5.311 12.345 1.00 0.00 N ATOM 0 H LYS A 84 5.177 9.394 7.939 1.00 0.00 H new ATOM 0 HA LYS A 84 4.966 7.094 6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.193 5.713 7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.584 6.499 8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.151 7.885 9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.711 7.302 9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.719 5.322 10.239 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.435 5.083 9.976 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.130 7.134 11.970 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.074 5.802 12.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.894 4.916 13.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.361 4.538 11.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.943 5.949 12.433 1.00 0.00 H new ATOM 1211 N LEU A 85 2.376 7.293 6.153 1.00 0.00 N ATOM 1212 CA LEU A 85 1.007 7.560 5.741 1.00 0.00 C ATOM 1213 C LEU A 85 0.110 6.848 6.746 1.00 0.00 C ATOM 1214 O LEU A 85 -0.070 5.636 6.651 1.00 0.00 O ATOM 1215 CB LEU A 85 0.799 7.036 4.311 1.00 0.00 C ATOM 1216 CG LEU A 85 -0.505 7.479 3.616 1.00 0.00 C ATOM 1217 CD1 LEU A 85 -0.730 6.561 2.417 1.00 0.00 C ATOM 1218 CD2 LEU A 85 -1.778 7.461 4.466 1.00 0.00 C ATOM 0 H LEU A 85 2.626 6.308 6.061 1.00 0.00 H new ATOM 0 HA LEU A 85 0.774 8.625 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.642 7.359 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.823 5.947 4.337 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.349 8.527 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.647 6.850 1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.112 6.646 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.816 5.530 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.623 7.793 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.963 6.448 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.656 8.129 5.318 1.00 0.00 H new ATOM 1230 N SER A 86 -0.421 7.582 7.716 1.00 0.00 N ATOM 1231 CA SER A 86 -1.288 7.021 8.748 1.00 0.00 C ATOM 1232 C SER A 86 -2.749 7.261 8.373 1.00 0.00 C ATOM 1233 O SER A 86 -3.074 8.206 7.647 1.00 0.00 O ATOM 1234 CB SER A 86 -0.990 7.628 10.122 1.00 0.00 C ATOM 1235 OG SER A 86 0.396 7.677 10.408 1.00 0.00 O ATOM 0 H SER A 86 -0.263 8.585 7.811 1.00 0.00 H new ATOM 0 HA SER A 86 -1.096 5.950 8.811 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.402 8.636 10.167 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.495 7.043 10.891 1.00 0.00 H new ATOM 0 HG SER A 86 0.533 8.073 11.294 1.00 0.00 H new ATOM 1241 N PHE A 87 -3.649 6.450 8.924 1.00 0.00 N ATOM 1242 CA PHE A 87 -5.072 6.446 8.615 1.00 0.00 C ATOM 1243 C PHE A 87 -5.894 6.690 9.884 1.00 0.00 C ATOM 1244 O PHE A 87 -5.355 6.833 10.984 1.00 0.00 O ATOM 1245 CB PHE A 87 -5.440 5.140 7.892 1.00 0.00 C ATOM 1246 CG PHE A 87 -4.837 5.011 6.501 1.00 0.00 C ATOM 1247 CD1 PHE A 87 -5.456 5.636 5.402 1.00 0.00 C ATOM 1248 CD2 PHE A 87 -3.656 4.273 6.295 1.00 0.00 C ATOM 1249 CE1 PHE A 87 -4.920 5.497 4.110 1.00 0.00 C ATOM 1250 CE2 PHE A 87 -3.125 4.126 4.999 1.00 0.00 C ATOM 1251 CZ PHE A 87 -3.758 4.739 3.902 1.00 0.00 C ATOM 0 H PHE A 87 -3.395 5.753 9.624 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.311 7.264 7.936 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.112 4.296 8.499 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.525 5.073 7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.348 6.226 5.552 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.154 3.817 7.136 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.405 5.976 3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.230 3.541 4.847 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.352 4.627 2.907 1.00 0.00 H new ATOM 1261 N GLY A 88 -7.212 6.798 9.729 1.00 0.00 N ATOM 1262 CA GLY A 88 -8.199 6.881 10.800 1.00 0.00 C ATOM 1263 C GLY A 88 -9.019 5.593 10.838 1.00 0.00 C ATOM 1264 O GLY A 88 -8.598 4.592 10.258 1.00 0.00 O ATOM 0 H GLY A 88 -7.641 6.832 8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.701 7.036 11.757 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.854 7.737 10.640 1.00 0.00 H new ATOM 1268 N THR A 89 -10.179 5.611 11.498 1.00 0.00 N ATOM 1269 CA THR A 89 -11.195 4.586 11.322 1.00 0.00 C ATOM 1270 C THR A 89 -11.570 4.606 9.836 1.00 0.00 C ATOM 1271 O THR A 89 -12.003 5.633 9.307 1.00 0.00 O ATOM 1272 CB THR A 89 -12.364 4.787 12.317 1.00 0.00 C ATOM 1273 OG1 THR A 89 -13.181 3.636 12.370 1.00 0.00 O ATOM 1274 CG2 THR A 89 -13.269 6.000 12.067 1.00 0.00 C ATOM 0 H THR A 89 -10.435 6.337 12.167 1.00 0.00 H new ATOM 0 HA THR A 89 -10.840 3.585 11.565 1.00 0.00 H new ATOM 0 HB THR A 89 -11.855 4.976 13.262 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.912 3.783 13.005 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.049 6.035 12.827 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.675 6.913 12.115 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.726 5.916 11.081 1.00 0.00 H new ATOM 1282 N LEU A 90 -11.280 3.516 9.133 1.00 0.00 N ATOM 1283 CA LEU A 90 -11.628 3.310 7.732 1.00 0.00 C ATOM 1284 C LEU A 90 -12.808 2.355 7.647 1.00 0.00 C ATOM 1285 O LEU A 90 -12.978 1.497 8.520 1.00 0.00 O ATOM 1286 CB LEU A 90 -10.450 2.665 6.980 1.00 0.00 C ATOM 1287 CG LEU A 90 -9.147 3.478 6.972 1.00 0.00 C ATOM 1288 CD1 LEU A 90 -8.044 2.635 6.344 1.00 0.00 C ATOM 1289 CD2 LEU A 90 -9.296 4.800 6.211 1.00 0.00 C ATOM 0 H LEU A 90 -10.779 2.725 9.537 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.871 4.276 7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.247 1.691 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.754 2.487 5.948 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.894 3.729 8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.114 3.203 6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.906 1.724 6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.322 2.374 5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.350 5.341 6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.574 4.595 5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.070 5.406 6.682 1.00 0.00 H new ATOM 1301 N GLY A 91 -13.558 2.433 6.555 1.00 0.00 N ATOM 1302 CA GLY A 91 -14.490 1.401 6.129 1.00 0.00 C ATOM 1303 C GLY A 91 -15.352 1.932 4.987 1.00 0.00 C ATOM 1304 O GLY A 91 -15.485 3.153 4.839 1.00 0.00 O ATOM 0 H GLY A 91 -13.533 3.236 5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.944 0.515 5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.121 1.099 6.965 1.00 0.00 H new ATOM 1308 N GLY A 92 -15.942 1.067 4.161 1.00 0.00 N ATOM 1309 CA GLY A 92 -16.897 1.493 3.151 1.00 0.00 C ATOM 1310 C GLY A 92 -17.656 0.362 2.469 1.00 0.00 C ATOM 1311 O GLY A 92 -17.377 -0.035 1.339 1.00 0.00 O ATOM 0 H GLY A 92 -15.770 0.062 4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -17.618 2.167 3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -16.368 2.066 2.390 1.00 0.00 H new ATOM 1315 N THR A 93 -18.796 0.073 3.059 1.00 0.00 N ATOM 1316 CA THR A 93 -19.794 -0.970 2.790 1.00 0.00 C ATOM 1317 C THR A 93 -19.225 -2.376 2.999 1.00 0.00 C ATOM 1318 O THR A 93 -18.049 -2.525 3.328 1.00 0.00 O ATOM 1319 CB THR A 93 -20.526 -0.757 1.444 1.00 0.00 C ATOM 1320 OG1 THR A 93 -19.651 -0.775 0.333 1.00 0.00 O ATOM 1321 CG2 THR A 93 -21.282 0.572 1.404 1.00 0.00 C ATOM 0 H THR A 93 -19.096 0.639 3.853 1.00 0.00 H new ATOM 0 HA THR A 93 -20.580 -0.874 3.539 1.00 0.00 H new ATOM 0 HB THR A 93 -21.222 -1.593 1.376 1.00 0.00 H new ATOM 0 HG1 THR A 93 -18.729 -0.887 0.645 1.00 0.00 H new ATOM 0 HG21 THR A 93 -21.780 0.678 0.440 1.00 0.00 H new ATOM 0 HG22 THR A 93 -22.025 0.592 2.201 1.00 0.00 H new ATOM 0 HG23 THR A 93 -20.580 1.394 1.542 1.00 0.00 H new ATOM 1329 N ARG A 94 -20.063 -3.408 2.878 1.00 0.00 N ATOM 1330 CA ARG A 94 -19.730 -4.814 3.101 1.00 0.00 C ATOM 1331 C ARG A 94 -20.378 -5.662 2.005 1.00 0.00 C ATOM 1332 O ARG A 94 -21.132 -6.594 2.272 1.00 0.00 O ATOM 1333 CB ARG A 94 -20.179 -5.209 4.518 1.00 0.00 C ATOM 1334 CG ARG A 94 -19.235 -4.707 5.621 1.00 0.00 C ATOM 1335 CD ARG A 94 -17.938 -5.523 5.609 1.00 0.00 C ATOM 1336 NE ARG A 94 -17.125 -5.344 6.819 1.00 0.00 N ATOM 1337 CZ ARG A 94 -16.314 -6.269 7.345 1.00 0.00 C ATOM 1338 NH1 ARG A 94 -16.223 -7.484 6.809 1.00 0.00 N ATOM 1339 NH2 ARG A 94 -15.595 -5.979 8.421 1.00 0.00 N ATOM 0 H ARG A 94 -21.038 -3.278 2.609 1.00 0.00 H new ATOM 0 HA ARG A 94 -18.655 -4.986 3.041 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -21.178 -4.813 4.698 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -20.251 -6.295 4.579 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.012 -3.651 5.468 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.720 -4.793 6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -18.183 -6.579 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -17.347 -5.240 4.738 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.183 -4.444 7.296 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.776 -7.721 5.985 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -15.600 -8.178 7.222 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.661 -5.053 8.845 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.976 -6.681 8.825 1.00 0.00 H new ATOM 1353 N MET A 95 -20.113 -5.293 0.752 1.00 0.00 N ATOM 1354 CA MET A 95 -20.542 -6.037 -0.432 1.00 0.00 C ATOM 1355 C MET A 95 -19.925 -7.443 -0.434 1.00 0.00 C ATOM 1356 O MET A 95 -19.012 -7.708 0.351 1.00 0.00 O ATOM 1357 CB MET A 95 -20.128 -5.264 -1.694 1.00 0.00 C ATOM 1358 CG MET A 95 -20.649 -3.817 -1.679 1.00 0.00 C ATOM 1359 SD MET A 95 -20.472 -2.884 -3.222 1.00 0.00 S ATOM 1360 CE MET A 95 -18.865 -2.109 -2.962 1.00 0.00 C ATOM 0 H MET A 95 -19.583 -4.451 0.527 1.00 0.00 H new ATOM 0 HA MET A 95 -21.627 -6.145 -0.417 1.00 0.00 H new ATOM 0 HB2 MET A 95 -19.041 -5.257 -1.775 1.00 0.00 H new ATOM 0 HB3 MET A 95 -20.510 -5.778 -2.576 1.00 0.00 H new ATOM 0 HG2 MET A 95 -21.705 -3.836 -1.410 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.129 -3.274 -0.890 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.863 -1.116 -3.412 1.00 0.00 H new ATOM 0 HE2 MET A 95 -18.671 -2.023 -1.893 1.00 0.00 H new ATOM 0 HE3 MET A 95 -18.088 -2.718 -3.424 1.00 0.00 H new ATOM 1370 N ALA A 96 -20.355 -8.325 -1.340 1.00 0.00 N ATOM 1371 CA ALA A 96 -19.872 -9.701 -1.457 1.00 0.00 C ATOM 1372 C ALA A 96 -19.235 -9.928 -2.829 1.00 0.00 C ATOM 1373 O ALA A 96 -19.841 -9.633 -3.864 1.00 0.00 O ATOM 1374 CB ALA A 96 -21.027 -10.675 -1.242 1.00 0.00 C ATOM 0 H ALA A 96 -21.069 -8.094 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 96 -19.114 -9.875 -0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -20.661 -11.698 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -21.449 -10.525 -0.248 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -21.796 -10.499 -1.994 1.00 0.00 H new ATOM 1380 N CYS A 97 -18.016 -10.467 -2.826 1.00 0.00 N ATOM 1381 CA CYS A 97 -17.224 -10.817 -3.993 1.00 0.00 C ATOM 1382 C CYS A 97 -16.661 -12.210 -3.734 1.00 0.00 C ATOM 1383 O CYS A 97 -15.723 -12.376 -2.953 1.00 0.00 O ATOM 1384 CB CYS A 97 -16.137 -9.777 -4.246 1.00 0.00 C ATOM 1385 SG CYS A 97 -16.837 -8.066 -4.509 1.00 0.00 S ATOM 0 H CYS A 97 -17.531 -10.682 -1.955 1.00 0.00 H new ATOM 0 HA CYS A 97 -17.828 -10.827 -4.901 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -15.450 -9.760 -3.400 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -15.556 -10.068 -5.122 1.00 0.00 H new ATOM 1390 N MET A 98 -17.281 -13.220 -4.345 1.00 0.00 N ATOM 1391 CA MET A 98 -16.958 -14.641 -4.203 1.00 0.00 C ATOM 1392 C MET A 98 -15.622 -15.030 -4.867 1.00 0.00 C ATOM 1393 O MET A 98 -15.524 -16.028 -5.583 1.00 0.00 O ATOM 1394 CB MET A 98 -18.150 -15.465 -4.720 1.00 0.00 C ATOM 1395 CG MET A 98 -18.514 -15.213 -6.189 1.00 0.00 C ATOM 1396 SD MET A 98 -19.996 -16.080 -6.761 1.00 0.00 S ATOM 1397 CE MET A 98 -21.269 -15.013 -6.037 1.00 0.00 C ATOM 0 H MET A 98 -18.060 -13.062 -4.984 1.00 0.00 H new ATOM 0 HA MET A 98 -16.801 -14.864 -3.148 1.00 0.00 H new ATOM 0 HB2 MET A 98 -17.925 -16.524 -4.592 1.00 0.00 H new ATOM 0 HB3 MET A 98 -19.021 -15.247 -4.101 1.00 0.00 H new ATOM 0 HG2 MET A 98 -18.657 -14.142 -6.335 1.00 0.00 H new ATOM 0 HG3 MET A 98 -17.672 -15.510 -6.814 1.00 0.00 H new ATOM 0 HE1 MET A 98 -22.038 -15.629 -5.570 1.00 0.00 H new ATOM 0 HE2 MET A 98 -20.817 -14.366 -5.286 1.00 0.00 H new ATOM 0 HE3 MET A 98 -21.719 -14.402 -6.819 1.00 0.00 H new ATOM 1407 N THR A 99 -14.577 -14.235 -4.669 1.00 0.00 N ATOM 1408 CA THR A 99 -13.308 -14.309 -5.369 1.00 0.00 C ATOM 1409 C THR A 99 -12.189 -14.334 -4.313 1.00 0.00 C ATOM 1410 O THR A 99 -12.438 -13.960 -3.158 1.00 0.00 O ATOM 1411 CB THR A 99 -13.244 -13.136 -6.379 1.00 0.00 C ATOM 1412 OG1 THR A 99 -13.150 -11.880 -5.745 1.00 0.00 O ATOM 1413 CG2 THR A 99 -14.479 -13.049 -7.281 1.00 0.00 C ATOM 0 H THR A 99 -14.597 -13.484 -3.979 1.00 0.00 H new ATOM 0 HA THR A 99 -13.187 -15.216 -5.961 1.00 0.00 H new ATOM 0 HB THR A 99 -12.351 -13.354 -6.965 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.111 -11.173 -6.423 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.372 -12.207 -7.965 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.577 -13.971 -7.854 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.368 -12.907 -6.667 1.00 0.00 H new ATOM 1421 N PRO A 100 -10.961 -14.764 -4.650 1.00 0.00 N ATOM 1422 CA PRO A 100 -9.859 -14.804 -3.689 1.00 0.00 C ATOM 1423 C PRO A 100 -9.512 -13.385 -3.227 1.00 0.00 C ATOM 1424 O PRO A 100 -9.457 -13.096 -2.029 1.00 0.00 O ATOM 1425 CB PRO A 100 -8.704 -15.502 -4.418 1.00 0.00 C ATOM 1426 CG PRO A 100 -9.006 -15.265 -5.895 1.00 0.00 C ATOM 1427 CD PRO A 100 -10.530 -15.275 -5.943 1.00 0.00 C ATOM 0 HA PRO A 100 -10.107 -15.350 -2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.740 -15.080 -4.135 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -8.668 -16.566 -4.183 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.598 -14.316 -6.242 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.578 -16.045 -6.524 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -10.902 -14.651 -6.756 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -10.911 -16.282 -6.114 1.00 0.00 H new ATOM 1435 N GLY A 101 -9.381 -12.472 -4.188 1.00 0.00 N ATOM 1436 CA GLY A 101 -9.134 -11.064 -3.952 1.00 0.00 C ATOM 1437 C GLY A 101 -10.382 -10.328 -3.472 1.00 0.00 C ATOM 1438 O GLY A 101 -10.292 -9.142 -3.183 1.00 0.00 O ATOM 0 H GLY A 101 -9.447 -12.706 -5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.343 -10.956 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -8.774 -10.602 -4.871 1.00 0.00 H new ATOM 1442 N GLY A 102 -11.527 -11.007 -3.358 1.00 0.00 N ATOM 1443 CA GLY A 102 -12.760 -10.461 -2.830 1.00 0.00 C ATOM 1444 C GLY A 102 -12.815 -10.630 -1.321 1.00 0.00 C ATOM 1445 O GLY A 102 -13.235 -9.709 -0.619 1.00 0.00 O ATOM 0 H GLY A 102 -11.614 -11.983 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -12.836 -9.404 -3.086 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.612 -10.962 -3.289 1.00 0.00 H new ATOM 1449 N GLN A 103 -12.404 -11.792 -0.799 1.00 0.00 N ATOM 1450 CA GLN A 103 -12.462 -12.052 0.639 1.00 0.00 C ATOM 1451 C GLN A 103 -11.230 -11.527 1.389 1.00 0.00 C ATOM 1452 O GLN A 103 -11.316 -11.334 2.603 1.00 0.00 O ATOM 1453 CB GLN A 103 -12.731 -13.538 0.920 1.00 0.00 C ATOM 1454 CG GLN A 103 -14.100 -13.962 0.353 1.00 0.00 C ATOM 1455 CD GLN A 103 -14.710 -15.155 1.089 1.00 0.00 C ATOM 1456 OE1 GLN A 103 -14.017 -16.029 1.606 1.00 0.00 O ATOM 1457 NE2 GLN A 103 -16.026 -15.205 1.194 1.00 0.00 N ATOM 0 H GLN A 103 -12.029 -12.563 -1.351 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.306 -11.486 1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -11.943 -14.146 0.474 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.705 -13.720 1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.787 -13.118 0.409 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -13.988 -14.212 -0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -16.600 -14.479 0.765 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -16.468 -15.969 1.704 1.00 0.00 H new ATOM 1466 N ILE A 104 -10.130 -11.216 0.688 1.00 0.00 N ATOM 1467 CA ILE A 104 -8.943 -10.581 1.272 1.00 0.00 C ATOM 1468 C ILE A 104 -9.247 -9.190 1.852 1.00 0.00 C ATOM 1469 O ILE A 104 -8.446 -8.670 2.627 1.00 0.00 O ATOM 1470 CB ILE A 104 -7.807 -10.527 0.230 1.00 0.00 C ATOM 1471 CG1 ILE A 104 -6.448 -10.336 0.931 1.00 0.00 C ATOM 1472 CG2 ILE A 104 -8.040 -9.419 -0.811 1.00 0.00 C ATOM 1473 CD1 ILE A 104 -5.275 -10.534 -0.023 1.00 0.00 C ATOM 0 H ILE A 104 -10.040 -11.401 -0.311 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.617 -11.193 2.113 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.800 -11.478 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.400 -9.335 1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -6.365 -11.042 1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -7.218 -9.414 -1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -8.977 -9.604 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.090 -8.453 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.339 -10.389 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.305 -11.544 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.341 -9.811 -0.836 1.00 0.00 H new ATOM 1485 N GLU A 105 -10.396 -8.599 1.499 1.00 0.00 N ATOM 1486 CA GLU A 105 -10.887 -7.326 2.010 1.00 0.00 C ATOM 1487 C GLU A 105 -10.713 -7.267 3.526 1.00 0.00 C ATOM 1488 O GLU A 105 -10.133 -6.306 4.023 1.00 0.00 O ATOM 1489 CB GLU A 105 -12.346 -7.168 1.545 1.00 0.00 C ATOM 1490 CG GLU A 105 -13.143 -6.020 2.185 1.00 0.00 C ATOM 1491 CD GLU A 105 -13.695 -6.366 3.580 1.00 0.00 C ATOM 1492 OE1 GLU A 105 -14.431 -7.375 3.684 1.00 0.00 O ATOM 1493 OE2 GLU A 105 -13.407 -5.661 4.575 1.00 0.00 O ATOM 0 H GLU A 105 -11.031 -9.018 0.820 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.316 -6.484 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.347 -7.025 0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.872 -8.102 1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -12.503 -5.141 2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.972 -5.753 1.530 1.00 0.00 H new ATOM 1500 N GLY A 106 -11.116 -8.325 4.240 1.00 0.00 N ATOM 1501 CA GLY A 106 -10.998 -8.387 5.686 1.00 0.00 C ATOM 1502 C GLY A 106 -9.574 -8.104 6.150 1.00 0.00 C ATOM 1503 O GLY A 106 -9.380 -7.293 7.053 1.00 0.00 O ATOM 0 H GLY A 106 -11.532 -9.158 3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.678 -7.664 6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.304 -9.374 6.034 1.00 0.00 H new ATOM 1507 N ALA A 107 -8.580 -8.745 5.529 1.00 0.00 N ATOM 1508 CA ALA A 107 -7.190 -8.588 5.919 1.00 0.00 C ATOM 1509 C ALA A 107 -6.683 -7.191 5.574 1.00 0.00 C ATOM 1510 O ALA A 107 -5.971 -6.583 6.369 1.00 0.00 O ATOM 1511 CB ALA A 107 -6.330 -9.653 5.234 1.00 0.00 C ATOM 0 H ALA A 107 -8.723 -9.383 4.746 1.00 0.00 H new ATOM 0 HA ALA A 107 -7.118 -8.716 6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -5.289 -9.527 5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -6.675 -10.644 5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.413 -9.547 4.152 1.00 0.00 H new ATOM 1517 N TYR A 108 -7.013 -6.672 4.388 1.00 0.00 N ATOM 1518 CA TYR A 108 -6.526 -5.363 3.965 1.00 0.00 C ATOM 1519 C TYR A 108 -7.111 -4.266 4.860 1.00 0.00 C ATOM 1520 O TYR A 108 -6.385 -3.380 5.318 1.00 0.00 O ATOM 1521 CB TYR A 108 -6.841 -5.140 2.482 1.00 0.00 C ATOM 1522 CG TYR A 108 -6.322 -3.826 1.912 1.00 0.00 C ATOM 1523 CD1 TYR A 108 -7.061 -2.635 2.058 1.00 0.00 C ATOM 1524 CD2 TYR A 108 -5.083 -3.788 1.246 1.00 0.00 C ATOM 1525 CE1 TYR A 108 -6.584 -1.426 1.522 1.00 0.00 C ATOM 1526 CE2 TYR A 108 -4.577 -2.575 0.750 1.00 0.00 C ATOM 1527 CZ TYR A 108 -5.328 -1.389 0.876 1.00 0.00 C ATOM 1528 OH TYR A 108 -4.823 -0.231 0.374 1.00 0.00 O ATOM 0 H TYR A 108 -7.613 -7.139 3.708 1.00 0.00 H new ATOM 0 HA TYR A 108 -5.442 -5.321 4.075 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -6.417 -5.963 1.907 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -7.922 -5.179 2.344 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -8.003 -2.651 2.587 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.517 -4.698 1.115 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -7.177 -0.527 1.604 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.610 -2.551 0.271 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.558 0.379 0.156 1.00 0.00 H new ATOM 1538 N LEU A 109 -8.404 -4.331 5.194 1.00 0.00 N ATOM 1539 CA LEU A 109 -9.002 -3.400 6.145 1.00 0.00 C ATOM 1540 C LEU A 109 -8.455 -3.599 7.568 1.00 0.00 C ATOM 1541 O LEU A 109 -8.574 -2.676 8.372 1.00 0.00 O ATOM 1542 CB LEU A 109 -10.536 -3.506 6.158 1.00 0.00 C ATOM 1543 CG LEU A 109 -11.287 -2.650 5.128 1.00 0.00 C ATOM 1544 CD1 LEU A 109 -11.015 -1.148 5.293 1.00 0.00 C ATOM 1545 CD2 LEU A 109 -11.019 -3.038 3.675 1.00 0.00 C ATOM 0 H LEU A 109 -9.054 -5.021 4.817 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.725 -2.401 5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.808 -4.549 5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.889 -3.233 7.152 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.335 -2.858 5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.572 -0.592 4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -11.331 -0.828 6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.949 -0.956 5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.588 -2.385 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.955 -2.934 3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.323 -4.072 3.513 1.00 0.00 H new ATOM 1557 N ASN A 110 -7.772 -4.703 7.862 1.00 0.00 N ATOM 1558 CA ASN A 110 -7.018 -4.922 9.109 1.00 0.00 C ATOM 1559 C ASN A 110 -5.545 -4.528 9.042 1.00 0.00 C ATOM 1560 O ASN A 110 -4.841 -4.630 10.043 1.00 0.00 O ATOM 1561 CB ASN A 110 -7.052 -6.408 9.470 1.00 0.00 C ATOM 1562 CG ASN A 110 -7.291 -6.617 10.960 1.00 0.00 C ATOM 1563 OD1 ASN A 110 -8.342 -7.109 11.369 1.00 0.00 O ATOM 1564 ND2 ASN A 110 -6.362 -6.196 11.801 1.00 0.00 N ATOM 0 H ASN A 110 -7.722 -5.498 7.225 1.00 0.00 H new ATOM 0 HA ASN A 110 -7.505 -4.285 9.847 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -7.839 -6.903 8.902 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -6.110 -6.875 9.183 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.510 -6.276 12.807 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.497 -5.791 11.444 1.00 0.00 H new ATOM 1571 N ALA A 111 -5.050 -4.198 7.857 1.00 0.00 N ATOM 1572 CA ALA A 111 -3.634 -3.931 7.625 1.00 0.00 C ATOM 1573 C ALA A 111 -3.262 -2.456 7.799 1.00 0.00 C ATOM 1574 O ALA A 111 -2.172 -2.152 8.274 1.00 0.00 O ATOM 1575 CB ALA A 111 -3.262 -4.400 6.221 1.00 0.00 C ATOM 0 H ALA A 111 -5.625 -4.107 7.020 1.00 0.00 H new ATOM 0 HA ALA A 111 -3.071 -4.482 8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.205 -4.204 6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -3.453 -5.469 6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.862 -3.862 5.487 1.00 0.00 H new ATOM 1581 N LEU A 112 -4.116 -1.514 7.396 1.00 0.00 N ATOM 1582 CA LEU A 112 -3.801 -0.081 7.440 1.00 0.00 C ATOM 1583 C LEU A 112 -3.813 0.469 8.875 1.00 0.00 C ATOM 1584 O LEU A 112 -3.446 1.622 9.102 1.00 0.00 O ATOM 1585 CB LEU A 112 -4.708 0.748 6.516 1.00 0.00 C ATOM 1586 CG LEU A 112 -4.903 0.182 5.089 1.00 0.00 C ATOM 1587 CD1 LEU A 112 -5.994 0.946 4.342 1.00 0.00 C ATOM 1588 CD2 LEU A 112 -3.622 0.210 4.263 1.00 0.00 C ATOM 0 H LEU A 112 -5.045 -1.720 7.030 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.784 0.018 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.686 0.843 6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.294 1.753 6.436 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.199 -0.859 5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.111 0.528 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.936 0.859 4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.715 1.997 4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.819 -0.199 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -3.272 1.238 4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.857 -0.389 4.757 1.00 0.00 H new ATOM 1600 N THR A 113 -4.190 -0.354 9.852 1.00 0.00 N ATOM 1601 CA THR A 113 -4.039 -0.077 11.271 1.00 0.00 C ATOM 1602 C THR A 113 -2.589 -0.309 11.742 1.00 0.00 C ATOM 1603 O THR A 113 -2.245 0.028 12.874 1.00 0.00 O ATOM 1604 CB THR A 113 -5.050 -0.945 12.046 1.00 0.00 C ATOM 1605 OG1 THR A 113 -4.841 -2.315 11.781 1.00 0.00 O ATOM 1606 CG2 THR A 113 -6.497 -0.645 11.630 1.00 0.00 C ATOM 0 H THR A 113 -4.622 -1.259 9.667 1.00 0.00 H new ATOM 0 HA THR A 113 -4.249 0.975 11.466 1.00 0.00 H new ATOM 0 HB THR A 113 -4.898 -0.712 13.100 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.492 -2.848 12.284 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.178 -1.278 12.199 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.723 0.403 11.829 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.619 -0.847 10.566 1.00 0.00 H new ATOM 1614 N HIS A 114 -1.726 -0.877 10.893 1.00 0.00 N ATOM 1615 CA HIS A 114 -0.357 -1.273 11.185 1.00 0.00 C ATOM 1616 C HIS A 114 0.556 -0.538 10.206 1.00 0.00 C ATOM 1617 O HIS A 114 1.095 -1.133 9.272 1.00 0.00 O ATOM 1618 CB HIS A 114 -0.231 -2.802 11.062 1.00 0.00 C ATOM 1619 CG HIS A 114 -0.812 -3.574 12.215 1.00 0.00 C ATOM 1620 ND1 HIS A 114 -0.175 -3.785 13.414 1.00 0.00 N ATOM 1621 CD2 HIS A 114 -2.005 -4.245 12.243 1.00 0.00 C ATOM 1622 CE1 HIS A 114 -0.953 -4.587 14.159 1.00 0.00 C ATOM 1623 NE2 HIS A 114 -2.075 -4.901 13.480 1.00 0.00 N ATOM 0 H HIS A 114 -1.986 -1.082 9.928 1.00 0.00 H new ATOM 0 HA HIS A 114 -0.069 -1.008 12.202 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.724 -3.121 10.143 1.00 0.00 H new ATOM 0 HB3 HIS A 114 0.824 -3.060 10.964 1.00 0.00 H new ATOM 0 HD1 HIS A 114 0.729 -3.401 13.689 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.750 -4.265 11.461 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -0.715 -4.930 15.155 1.00 0.00 H new ATOM 1631 N ILE A 115 0.717 0.773 10.378 1.00 0.00 N ATOM 1632 CA ILE A 115 1.689 1.548 9.619 1.00 0.00 C ATOM 1633 C ILE A 115 2.798 1.894 10.605 1.00 0.00 C ATOM 1634 O ILE A 115 2.964 3.055 10.978 1.00 0.00 O ATOM 1635 CB ILE A 115 1.076 2.825 8.988 1.00 0.00 C ATOM 1636 CG1 ILE A 115 -0.363 2.689 8.460 1.00 0.00 C ATOM 1637 CG2 ILE A 115 2.052 3.384 7.931 1.00 0.00 C ATOM 1638 CD1 ILE A 115 -0.578 1.706 7.313 1.00 0.00 C ATOM 0 H ILE A 115 0.178 1.324 11.046 1.00 0.00 H new ATOM 0 HA ILE A 115 2.061 0.971 8.772 1.00 0.00 H new ATOM 0 HB ILE A 115 0.955 3.543 9.799 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.004 2.390 9.290 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.701 3.673 8.134 1.00 0.00 H new ATOM 0 HG21 ILE A 115 1.627 4.282 7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.002 3.630 8.406 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.217 2.635 7.156 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.631 1.701 7.031 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.025 2.008 6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.282 0.706 7.630 1.00 0.00 H new ATOM 1650 N ASP A 116 3.545 0.911 11.097 1.00 0.00 N ATOM 1651 CA ASP A 116 4.677 1.303 11.923 1.00 0.00 C ATOM 1652 C ASP A 116 5.793 1.878 11.055 1.00 0.00 C ATOM 1653 O ASP A 116 6.362 2.927 11.375 1.00 0.00 O ATOM 1654 CB ASP A 116 5.187 0.180 12.799 1.00 0.00 C ATOM 1655 CG ASP A 116 6.016 0.815 13.921 1.00 0.00 C ATOM 1656 OD1 ASP A 116 5.502 1.719 14.633 1.00 0.00 O ATOM 1657 OD2 ASP A 116 7.201 0.454 14.063 1.00 0.00 O ATOM 0 H ASP A 116 3.404 -0.089 10.954 1.00 0.00 H new ATOM 0 HA ASP A 116 4.323 2.078 12.603 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.356 -0.392 13.212 1.00 0.00 H new ATOM 0 HB3 ASP A 116 5.795 -0.514 12.218 1.00 0.00 H new ATOM 1662 N ARG A 117 6.051 1.238 9.911 1.00 0.00 N ATOM 1663 CA ARG A 117 7.083 1.590 8.948 1.00 0.00 C ATOM 1664 C ARG A 117 6.469 1.863 7.581 1.00 0.00 C ATOM 1665 O ARG A 117 5.276 1.688 7.338 1.00 0.00 O ATOM 1666 CB ARG A 117 8.095 0.449 8.879 1.00 0.00 C ATOM 1667 CG ARG A 117 8.998 0.448 10.110 1.00 0.00 C ATOM 1668 CD ARG A 117 10.008 -0.689 9.992 1.00 0.00 C ATOM 1669 NE ARG A 117 9.329 -1.993 9.998 1.00 0.00 N ATOM 1670 CZ ARG A 117 9.783 -3.139 10.510 1.00 0.00 C ATOM 1671 NH1 ARG A 117 11.039 -3.248 10.933 1.00 0.00 N ATOM 1672 NH2 ARG A 117 8.953 -4.171 10.576 1.00 0.00 N ATOM 0 H ARG A 117 5.515 0.420 9.622 1.00 0.00 H new ATOM 0 HA ARG A 117 7.589 2.502 9.264 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.571 -0.504 8.807 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.701 0.549 7.978 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.516 1.403 10.196 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.401 0.327 11.014 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.582 -0.577 9.072 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.717 -0.639 10.819 1.00 0.00 H new ATOM 0 HE ARG A 117 8.407 -2.026 9.562 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.670 -2.449 10.869 1.00 0.00 H new ATOM 0 HH12 ARG A 117 11.371 -4.130 11.322 1.00 0.00 H new ATOM 0 HH21 ARG A 117 7.994 -4.077 10.240 1.00 0.00 H new ATOM 0 HH22 ARG A 117 9.273 -5.059 10.963 1.00 0.00 H new ATOM 1686 N THR A 118 7.300 2.336 6.665 1.00 0.00 N ATOM 1687 CA THR A 118 6.885 2.890 5.389 1.00 0.00 C ATOM 1688 C THR A 118 8.139 3.051 4.516 1.00 0.00 C ATOM 1689 O THR A 118 9.262 2.935 5.022 1.00 0.00 O ATOM 1690 CB THR A 118 6.196 4.230 5.709 1.00 0.00 C ATOM 1691 OG1 THR A 118 5.501 4.767 4.603 1.00 0.00 O ATOM 1692 CG2 THR A 118 7.229 5.240 6.205 1.00 0.00 C ATOM 0 H THR A 118 8.312 2.344 6.795 1.00 0.00 H new ATOM 0 HA THR A 118 6.188 2.259 4.837 1.00 0.00 H new ATOM 0 HB THR A 118 5.459 4.030 6.487 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.736 5.290 4.920 1.00 0.00 H new ATOM 0 HG21 THR A 118 6.735 6.185 6.429 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.708 4.858 7.107 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.982 5.399 5.433 1.00 0.00 H new ATOM 1700 N GLY A 119 7.979 3.399 3.242 1.00 0.00 N ATOM 1701 CA GLY A 119 9.075 3.751 2.364 1.00 0.00 C ATOM 1702 C GLY A 119 8.567 3.967 0.944 1.00 0.00 C ATOM 1703 O GLY A 119 8.311 3.015 0.216 1.00 0.00 O ATOM 0 H GLY A 119 7.066 3.443 2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.562 4.657 2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.825 2.960 2.373 1.00 0.00 H new ATOM 1707 N VAL A 120 8.431 5.213 0.499 1.00 0.00 N ATOM 1708 CA VAL A 120 8.013 5.511 -0.875 1.00 0.00 C ATOM 1709 C VAL A 120 9.239 5.570 -1.783 1.00 0.00 C ATOM 1710 O VAL A 120 10.329 5.944 -1.342 1.00 0.00 O ATOM 1711 CB VAL A 120 7.272 6.847 -0.895 1.00 0.00 C ATOM 1712 CG1 VAL A 120 6.809 7.237 -2.313 1.00 0.00 C ATOM 1713 CG2 VAL A 120 6.070 6.761 0.049 1.00 0.00 C ATOM 0 H VAL A 120 8.604 6.040 1.071 1.00 0.00 H new ATOM 0 HA VAL A 120 7.348 4.728 -1.238 1.00 0.00 H new ATOM 0 HB VAL A 120 7.960 7.624 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 120 6.288 8.193 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 120 7.676 7.322 -2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 120 6.136 6.472 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 120 5.534 7.710 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 120 5.403 5.965 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 120 6.416 6.547 1.060 1.00 0.00 H new ATOM 1723 N GLN A 121 9.053 5.237 -3.058 1.00 0.00 N ATOM 1724 CA GLN A 121 10.079 5.231 -4.076 1.00 0.00 C ATOM 1725 C GLN A 121 9.769 6.386 -5.038 1.00 0.00 C ATOM 1726 O GLN A 121 8.943 6.263 -5.950 1.00 0.00 O ATOM 1727 CB GLN A 121 10.085 3.823 -4.689 1.00 0.00 C ATOM 1728 CG GLN A 121 11.393 3.418 -5.389 1.00 0.00 C ATOM 1729 CD GLN A 121 11.296 3.248 -6.900 1.00 0.00 C ATOM 1730 OE1 GLN A 121 12.275 3.481 -7.599 1.00 0.00 O ATOM 1731 NE2 GLN A 121 10.161 2.825 -7.423 1.00 0.00 N ATOM 0 H GLN A 121 8.141 4.953 -3.416 1.00 0.00 H new ATOM 0 HA GLN A 121 11.093 5.410 -3.717 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.875 3.100 -3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.270 3.755 -5.410 1.00 0.00 H new ATOM 0 HG2 GLN A 121 12.150 4.171 -5.172 1.00 0.00 H new ATOM 0 HG3 GLN A 121 11.743 2.481 -4.956 1.00 0.00 H new ATOM 0 HE21 GLN A 121 9.360 2.638 -6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 121 10.085 2.685 -8.430 1.00 0.00 H new ATOM 1740 N MET A 122 10.364 7.556 -4.786 1.00 0.00 N ATOM 1741 CA MET A 122 10.235 8.760 -5.606 1.00 0.00 C ATOM 1742 C MET A 122 11.348 8.802 -6.655 1.00 0.00 C ATOM 1743 O MET A 122 12.080 9.776 -6.822 1.00 0.00 O ATOM 1744 CB MET A 122 10.118 9.999 -4.710 1.00 0.00 C ATOM 1745 CG MET A 122 9.836 11.271 -5.512 1.00 0.00 C ATOM 1746 SD MET A 122 8.947 12.564 -4.610 1.00 0.00 S ATOM 1747 CE MET A 122 7.360 11.733 -4.277 1.00 0.00 C ATOM 0 H MET A 122 10.969 7.693 -3.977 1.00 0.00 H new ATOM 0 HA MET A 122 9.309 8.745 -6.181 1.00 0.00 H new ATOM 0 HB2 MET A 122 9.320 9.845 -3.984 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.042 10.125 -4.146 1.00 0.00 H new ATOM 0 HG2 MET A 122 10.784 11.679 -5.862 1.00 0.00 H new ATOM 0 HG3 MET A 122 9.258 11.004 -6.397 1.00 0.00 H new ATOM 0 HE1 MET A 122 6.543 12.443 -4.409 1.00 0.00 H new ATOM 0 HE2 MET A 122 7.233 10.901 -4.969 1.00 0.00 H new ATOM 0 HE3 MET A 122 7.353 11.358 -3.254 1.00 0.00 H new ATOM 1757 N ARG A 123 11.439 7.723 -7.422 1.00 0.00 N ATOM 1758 CA ARG A 123 12.271 7.596 -8.601 1.00 0.00 C ATOM 1759 C ARG A 123 11.368 6.928 -9.626 1.00 0.00 C ATOM 1760 O ARG A 123 10.721 5.947 -9.274 1.00 0.00 O ATOM 1761 CB ARG A 123 13.512 6.774 -8.247 1.00 0.00 C ATOM 1762 CG ARG A 123 14.575 6.996 -9.319 1.00 0.00 C ATOM 1763 CD ARG A 123 15.649 5.922 -9.283 1.00 0.00 C ATOM 1764 NE ARG A 123 16.527 5.944 -8.098 1.00 0.00 N ATOM 1765 CZ ARG A 123 17.551 5.102 -7.892 1.00 0.00 C ATOM 1766 NH1 ARG A 123 17.855 4.175 -8.799 1.00 0.00 N ATOM 1767 NH2 ARG A 123 18.297 5.191 -6.796 1.00 0.00 N ATOM 0 H ARG A 123 10.907 6.875 -7.225 1.00 0.00 H new ATOM 0 HA ARG A 123 12.650 8.539 -8.995 1.00 0.00 H new ATOM 0 HB2 ARG A 123 13.894 7.070 -7.270 1.00 0.00 H new ATOM 0 HB3 ARG A 123 13.257 5.716 -8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 123 14.103 7.005 -10.302 1.00 0.00 H new ATOM 0 HG3 ARG A 123 15.035 7.974 -9.177 1.00 0.00 H new ATOM 0 HD2 ARG A 123 15.165 4.947 -9.338 1.00 0.00 H new ATOM 0 HD3 ARG A 123 16.268 6.021 -10.175 1.00 0.00 H new ATOM 0 HE ARG A 123 16.343 6.649 -7.385 1.00 0.00 H new ATOM 0 HH11 ARG A 123 17.308 4.102 -9.657 1.00 0.00 H new ATOM 0 HH12 ARG A 123 18.635 3.538 -8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 123 18.094 5.906 -6.098 1.00 0.00 H new ATOM 0 HH22 ARG A 123 19.072 4.544 -6.653 1.00 0.00 H new ATOM 1781 N ALA A 124 11.200 7.500 -10.821 1.00 0.00 N ATOM 1782 CA ALA A 124 10.504 6.837 -11.901 1.00 0.00 C ATOM 1783 C ALA A 124 11.334 5.607 -12.286 1.00 0.00 C ATOM 1784 O ALA A 124 12.527 5.796 -12.568 1.00 0.00 O ATOM 1785 CB ALA A 124 10.312 7.787 -13.085 1.00 0.00 C ATOM 0 H ALA A 124 11.544 8.431 -11.056 1.00 0.00 H new ATOM 0 HA ALA A 124 9.505 6.529 -11.592 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.786 7.268 -13.886 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.728 8.651 -12.768 1.00 0.00 H new ATOM 0 HB3 ALA A 124 11.285 8.120 -13.446 1.00 0.00 H new ATOM 1791 N PRO A 125 10.735 4.405 -12.358 1.00 0.00 N ATOM 1792 CA PRO A 125 9.302 4.133 -12.207 1.00 0.00 C ATOM 1793 C PRO A 125 8.805 4.172 -10.751 1.00 0.00 C ATOM 1794 O PRO A 125 9.195 3.340 -9.936 1.00 0.00 O ATOM 1795 CB PRO A 125 9.106 2.729 -12.801 1.00 0.00 C ATOM 1796 CG PRO A 125 10.461 2.059 -12.571 1.00 0.00 C ATOM 1797 CD PRO A 125 11.427 3.211 -12.814 1.00 0.00 C ATOM 0 HA PRO A 125 8.722 4.907 -12.710 1.00 0.00 H new ATOM 0 HB2 PRO A 125 8.301 2.190 -12.302 1.00 0.00 H new ATOM 0 HB3 PRO A 125 8.853 2.772 -13.860 1.00 0.00 H new ATOM 0 HG2 PRO A 125 10.551 1.656 -11.562 1.00 0.00 H new ATOM 0 HG3 PRO A 125 10.630 1.232 -13.261 1.00 0.00 H new ATOM 0 HD2 PRO A 125 12.358 3.064 -12.266 1.00 0.00 H new ATOM 0 HD3 PRO A 125 11.687 3.288 -13.870 1.00 0.00 H new ATOM 1805 N GLN A 126 7.936 5.134 -10.418 1.00 0.00 N ATOM 1806 CA GLN A 126 7.532 5.424 -9.046 1.00 0.00 C ATOM 1807 C GLN A 126 6.565 4.363 -8.531 1.00 0.00 C ATOM 1808 O GLN A 126 5.615 4.011 -9.235 1.00 0.00 O ATOM 1809 CB GLN A 126 6.835 6.789 -8.964 1.00 0.00 C ATOM 1810 CG GLN A 126 7.684 7.979 -9.433 1.00 0.00 C ATOM 1811 CD GLN A 126 7.029 9.299 -9.031 1.00 0.00 C ATOM 1812 OE1 GLN A 126 5.809 9.423 -8.988 1.00 0.00 O ATOM 1813 NE2 GLN A 126 7.808 10.298 -8.673 1.00 0.00 N ATOM 0 H GLN A 126 7.490 5.739 -11.108 1.00 0.00 H new ATOM 0 HA GLN A 126 8.435 5.430 -8.435 1.00 0.00 H new ATOM 0 HB2 GLN A 126 5.925 6.752 -9.563 1.00 0.00 H new ATOM 0 HB3 GLN A 126 6.530 6.963 -7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 126 8.681 7.915 -8.998 1.00 0.00 H new ATOM 0 HG3 GLN A 126 7.805 7.942 -10.516 1.00 0.00 H new ATOM 0 HE21 GLN A 126 8.822 10.193 -8.710 1.00 0.00 H new ATOM 0 HE22 GLN A 126 7.398 11.177 -8.359 1.00 0.00 H new ATOM 1822 N GLN A 127 6.755 3.931 -7.282 1.00 0.00 N ATOM 1823 CA GLN A 127 5.911 2.980 -6.559 1.00 0.00 C ATOM 1824 C GLN A 127 5.924 3.369 -5.070 1.00 0.00 C ATOM 1825 O GLN A 127 6.806 4.110 -4.626 1.00 0.00 O ATOM 1826 CB GLN A 127 6.443 1.546 -6.778 1.00 0.00 C ATOM 1827 CG GLN A 127 6.139 1.018 -8.192 1.00 0.00 C ATOM 1828 CD GLN A 127 6.804 -0.317 -8.494 1.00 0.00 C ATOM 1829 OE1 GLN A 127 8.031 -0.427 -8.485 1.00 0.00 O ATOM 1830 NE2 GLN A 127 6.029 -1.339 -8.807 1.00 0.00 N ATOM 0 H GLN A 127 7.543 4.253 -6.720 1.00 0.00 H new ATOM 0 HA GLN A 127 4.885 3.008 -6.925 1.00 0.00 H new ATOM 0 HB2 GLN A 127 7.520 1.531 -6.611 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.997 0.879 -6.040 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.060 0.913 -8.309 1.00 0.00 H new ATOM 0 HG3 GLN A 127 6.469 1.754 -8.925 1.00 0.00 H new ATOM 0 HE21 GLN A 127 5.015 -1.228 -8.809 1.00 0.00 H new ATOM 0 HE22 GLN A 127 6.444 -2.239 -9.047 1.00 0.00 H new ATOM 1839 N MET A 128 4.957 2.887 -4.287 1.00 0.00 N ATOM 1840 CA MET A 128 4.942 3.036 -2.830 1.00 0.00 C ATOM 1841 C MET A 128 5.283 1.694 -2.223 1.00 0.00 C ATOM 1842 O MET A 128 4.848 0.665 -2.746 1.00 0.00 O ATOM 1843 CB MET A 128 3.546 3.427 -2.329 1.00 0.00 C ATOM 1844 CG MET A 128 3.443 3.525 -0.790 1.00 0.00 C ATOM 1845 SD MET A 128 1.917 4.142 -0.021 1.00 0.00 S ATOM 1846 CE MET A 128 0.794 4.245 -1.420 1.00 0.00 C ATOM 0 H MET A 128 4.153 2.376 -4.651 1.00 0.00 H new ATOM 0 HA MET A 128 5.654 3.812 -2.548 1.00 0.00 H new ATOM 0 HB2 MET A 128 3.269 4.387 -2.765 1.00 0.00 H new ATOM 0 HB3 MET A 128 2.823 2.694 -2.687 1.00 0.00 H new ATOM 0 HG2 MET A 128 3.629 2.529 -0.388 1.00 0.00 H new ATOM 0 HG3 MET A 128 4.259 4.163 -0.450 1.00 0.00 H new ATOM 0 HE1 MET A 128 -0.199 4.525 -1.069 1.00 0.00 H new ATOM 0 HE2 MET A 128 1.156 4.996 -2.122 1.00 0.00 H new ATOM 0 HE3 MET A 128 0.744 3.277 -1.918 1.00 0.00 H new ATOM 1856 N GLN A 129 5.934 1.710 -1.061 1.00 0.00 N ATOM 1857 CA GLN A 129 5.955 0.573 -0.169 1.00 0.00 C ATOM 1858 C GLN A 129 5.568 1.019 1.248 1.00 0.00 C ATOM 1859 O GLN A 129 6.018 2.055 1.738 1.00 0.00 O ATOM 1860 CB GLN A 129 7.308 -0.157 -0.331 1.00 0.00 C ATOM 1861 CG GLN A 129 7.135 -1.156 -1.496 1.00 0.00 C ATOM 1862 CD GLN A 129 8.230 -2.178 -1.737 1.00 0.00 C ATOM 1863 OE1 GLN A 129 8.380 -2.659 -2.862 1.00 0.00 O ATOM 1864 NE2 GLN A 129 8.915 -2.640 -0.709 1.00 0.00 N ATOM 0 H GLN A 129 6.459 2.515 -0.720 1.00 0.00 H new ATOM 0 HA GLN A 129 5.202 -0.175 -0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 129 8.108 0.552 -0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 129 7.580 -0.677 0.588 1.00 0.00 H new ATOM 0 HG2 GLN A 129 6.204 -1.699 -1.333 1.00 0.00 H new ATOM 0 HG3 GLN A 129 7.011 -0.579 -2.413 1.00 0.00 H new ATOM 0 HE21 GLN A 129 8.782 -2.233 0.217 1.00 0.00 H new ATOM 0 HE22 GLN A 129 9.578 -3.404 -0.840 1.00 0.00 H new ATOM 1873 N LEU A 130 4.671 0.266 1.895 1.00 0.00 N ATOM 1874 CA LEU A 130 4.340 0.396 3.322 1.00 0.00 C ATOM 1875 C LEU A 130 4.697 -0.896 4.051 1.00 0.00 C ATOM 1876 O LEU A 130 4.595 -1.969 3.446 1.00 0.00 O ATOM 1877 CB LEU A 130 2.853 0.670 3.551 1.00 0.00 C ATOM 1878 CG LEU A 130 2.276 1.943 2.918 1.00 0.00 C ATOM 1879 CD1 LEU A 130 0.781 2.013 3.225 1.00 0.00 C ATOM 1880 CD2 LEU A 130 2.948 3.204 3.456 1.00 0.00 C ATOM 0 H LEU A 130 4.140 -0.471 1.430 1.00 0.00 H new ATOM 0 HA LEU A 130 4.913 1.240 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.289 -0.183 3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.678 0.716 4.626 1.00 0.00 H new ATOM 0 HG LEU A 130 2.456 1.896 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.360 2.914 2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.283 1.137 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.632 2.038 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.509 4.081 2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.800 3.263 4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.015 3.169 3.237 1.00 0.00 H new ATOM 1892 N VAL A 131 5.086 -0.822 5.327 1.00 0.00 N ATOM 1893 CA VAL A 131 5.614 -1.967 6.059 1.00 0.00 C ATOM 1894 C VAL A 131 4.893 -2.078 7.402 1.00 0.00 C ATOM 1895 O VAL A 131 4.885 -1.133 8.194 1.00 0.00 O ATOM 1896 CB VAL A 131 7.148 -1.867 6.186 1.00 0.00 C ATOM 1897 CG1 VAL A 131 7.740 -2.970 7.078 1.00 0.00 C ATOM 1898 CG2 VAL A 131 7.851 -1.958 4.828 1.00 0.00 C ATOM 0 H VAL A 131 5.042 0.035 5.878 1.00 0.00 H new ATOM 0 HA VAL A 131 5.423 -2.891 5.513 1.00 0.00 H new ATOM 0 HB VAL A 131 7.323 -0.890 6.637 1.00 0.00 H new ATOM 0 HG11 VAL A 131 8.822 -2.852 7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.316 -2.895 8.079 1.00 0.00 H new ATOM 0 HG13 VAL A 131 7.502 -3.946 6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 131 8.929 -1.883 4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 131 7.613 -2.912 4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 131 7.512 -1.144 4.187 1.00 0.00 H new ATOM 1908 N LEU A 132 4.279 -3.239 7.652 1.00 0.00 N ATOM 1909 CA LEU A 132 3.582 -3.485 8.911 1.00 0.00 C ATOM 1910 C LEU A 132 4.607 -3.648 10.035 1.00 0.00 C ATOM 1911 O LEU A 132 5.781 -3.936 9.786 1.00 0.00 O ATOM 1912 CB LEU A 132 2.668 -4.730 8.851 1.00 0.00 C ATOM 1913 CG LEU A 132 1.735 -4.884 7.632 1.00 0.00 C ATOM 1914 CD1 LEU A 132 0.692 -5.983 7.895 1.00 0.00 C ATOM 1915 CD2 LEU A 132 0.995 -3.616 7.224 1.00 0.00 C ATOM 0 H LEU A 132 4.253 -4.021 6.997 1.00 0.00 H new ATOM 0 HA LEU A 132 2.939 -2.626 9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.304 -5.614 8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.049 -4.734 9.748 1.00 0.00 H new ATOM 0 HG LEU A 132 2.400 -5.142 6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 132 0.040 -6.081 7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.200 -6.930 8.077 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.096 -5.717 8.768 1.00 0.00 H new ATOM 0 HD21 LEU A 132 0.365 -3.825 6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.373 -3.275 8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 132 1.716 -2.840 6.969 1.00 0.00 H new ATOM 1927 N ASP A 133 4.135 -3.610 11.281 1.00 0.00 N ATOM 1928 CA ASP A 133 4.923 -3.872 12.491 1.00 0.00 C ATOM 1929 C ASP A 133 5.564 -5.273 12.448 1.00 0.00 C ATOM 1930 O ASP A 133 6.558 -5.537 13.127 1.00 0.00 O ATOM 1931 CB ASP A 133 4.024 -3.800 13.745 1.00 0.00 C ATOM 1932 CG ASP A 133 3.148 -2.560 13.893 1.00 0.00 C ATOM 1933 OD1 ASP A 133 2.257 -2.371 13.036 1.00 0.00 O ATOM 1934 OD2 ASP A 133 3.306 -1.810 14.882 1.00 0.00 O ATOM 0 H ASP A 133 3.161 -3.389 11.485 1.00 0.00 H new ATOM 0 HA ASP A 133 5.704 -3.113 12.536 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.376 -4.676 13.749 1.00 0.00 H new ATOM 0 HB3 ASP A 133 4.663 -3.872 14.625 1.00 0.00 H new ATOM 1939 N ASN A 134 5.003 -6.179 11.637 1.00 0.00 N ATOM 1940 CA ASN A 134 5.438 -7.558 11.449 1.00 0.00 C ATOM 1941 C ASN A 134 6.615 -7.652 10.483 1.00 0.00 C ATOM 1942 O ASN A 134 7.333 -8.651 10.489 1.00 0.00 O ATOM 1943 CB ASN A 134 4.270 -8.373 10.865 1.00 0.00 C ATOM 1944 CG ASN A 134 4.603 -9.858 10.808 1.00 0.00 C ATOM 1945 OD1 ASN A 134 5.023 -10.436 11.803 1.00 0.00 O ATOM 1946 ND2 ASN A 134 4.374 -10.528 9.686 1.00 0.00 N ATOM 0 H ASN A 134 4.189 -5.951 11.066 1.00 0.00 H new ATOM 0 HA ASN A 134 5.751 -7.947 12.418 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.378 -8.222 11.474 1.00 0.00 H new ATOM 0 HB3 ASN A 134 4.037 -8.012 9.863 1.00 0.00 H new ATOM 0 HD21 ASN A 134 4.548 -11.532 9.647 1.00 0.00 H new ATOM 0 HD22 ASN A 134 4.024 -10.039 8.862 1.00 0.00 H new ATOM 1953 N GLY A 135 6.767 -6.652 9.607 1.00 0.00 N ATOM 1954 CA GLY A 135 7.709 -6.669 8.499 1.00 0.00 C ATOM 1955 C GLY A 135 7.064 -7.025 7.156 1.00 0.00 C ATOM 1956 O GLY A 135 7.752 -7.029 6.131 1.00 0.00 O ATOM 0 H GLY A 135 6.222 -5.791 9.656 1.00 0.00 H new ATOM 0 HA2 GLY A 135 8.181 -5.690 8.418 1.00 0.00 H new ATOM 0 HA3 GLY A 135 8.500 -7.387 8.715 1.00 0.00 H new ATOM 1960 N ASP A 136 5.755 -7.307 7.139 1.00 0.00 N ATOM 1961 CA ASP A 136 4.936 -7.474 5.931 1.00 0.00 C ATOM 1962 C ASP A 136 5.098 -6.230 5.055 1.00 0.00 C ATOM 1963 O ASP A 136 5.263 -5.133 5.579 1.00 0.00 O ATOM 1964 CB ASP A 136 3.454 -7.633 6.310 1.00 0.00 C ATOM 1965 CG ASP A 136 2.926 -9.057 6.255 1.00 0.00 C ATOM 1966 OD1 ASP A 136 3.381 -9.909 7.056 1.00 0.00 O ATOM 1967 OD2 ASP A 136 1.999 -9.312 5.457 1.00 0.00 O ATOM 0 H ASP A 136 5.217 -7.430 7.997 1.00 0.00 H new ATOM 0 HA ASP A 136 5.261 -8.365 5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 136 3.309 -7.247 7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 136 2.855 -7.013 5.642 1.00 0.00 H new ATOM 1972 N THR A 137 5.059 -6.378 3.732 1.00 0.00 N ATOM 1973 CA THR A 137 5.538 -5.388 2.772 1.00 0.00 C ATOM 1974 C THR A 137 4.508 -5.245 1.638 1.00 0.00 C ATOM 1975 O THR A 137 4.403 -6.119 0.775 1.00 0.00 O ATOM 1976 CB THR A 137 6.920 -5.852 2.262 1.00 0.00 C ATOM 1977 OG1 THR A 137 7.775 -6.291 3.304 1.00 0.00 O ATOM 1978 CG2 THR A 137 7.669 -4.770 1.498 1.00 0.00 C ATOM 0 H THR A 137 4.682 -7.215 3.287 1.00 0.00 H new ATOM 0 HA THR A 137 5.652 -4.404 3.227 1.00 0.00 H new ATOM 0 HB THR A 137 6.683 -6.682 1.596 1.00 0.00 H new ATOM 0 HG1 THR A 137 8.633 -6.574 2.925 1.00 0.00 H new ATOM 0 HG21 THR A 137 8.632 -5.159 1.167 1.00 0.00 H new ATOM 0 HG22 THR A 137 7.083 -4.465 0.631 1.00 0.00 H new ATOM 0 HG23 THR A 137 7.829 -3.910 2.148 1.00 0.00 H new ATOM 1986 N LEU A 138 3.696 -4.186 1.629 1.00 0.00 N ATOM 1987 CA LEU A 138 2.713 -3.941 0.566 1.00 0.00 C ATOM 1988 C LEU A 138 3.336 -3.035 -0.494 1.00 0.00 C ATOM 1989 O LEU A 138 3.853 -1.981 -0.124 1.00 0.00 O ATOM 1990 CB LEU A 138 1.467 -3.255 1.140 1.00 0.00 C ATOM 1991 CG LEU A 138 0.454 -4.226 1.777 1.00 0.00 C ATOM 1992 CD1 LEU A 138 0.877 -4.687 3.180 1.00 0.00 C ATOM 1993 CD2 LEU A 138 -0.946 -3.595 1.833 1.00 0.00 C ATOM 0 H LEU A 138 3.700 -3.472 2.358 1.00 0.00 H new ATOM 0 HA LEU A 138 2.424 -4.895 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 138 1.778 -2.528 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 138 0.971 -2.700 0.344 1.00 0.00 H new ATOM 0 HG LEU A 138 0.428 -5.109 1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 138 0.127 -5.369 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 138 1.838 -5.199 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 138 0.967 -3.821 3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -1.644 -4.299 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -0.911 -2.683 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -1.278 -3.355 0.823 1.00 0.00 H new ATOM 2005 N THR A 139 3.294 -3.410 -1.772 1.00 0.00 N ATOM 2006 CA THR A 139 3.796 -2.609 -2.888 1.00 0.00 C ATOM 2007 C THR A 139 2.587 -2.068 -3.672 1.00 0.00 C ATOM 2008 O THR A 139 1.679 -2.840 -4.006 1.00 0.00 O ATOM 2009 CB THR A 139 4.695 -3.467 -3.793 1.00 0.00 C ATOM 2010 OG1 THR A 139 5.727 -4.110 -3.058 1.00 0.00 O ATOM 2011 CG2 THR A 139 5.345 -2.594 -4.863 1.00 0.00 C ATOM 0 H THR A 139 2.899 -4.303 -2.068 1.00 0.00 H new ATOM 0 HA THR A 139 4.396 -1.777 -2.519 1.00 0.00 H new ATOM 0 HB THR A 139 4.059 -4.227 -4.247 1.00 0.00 H new ATOM 0 HG1 THR A 139 6.566 -3.616 -3.171 1.00 0.00 H new ATOM 0 HG21 THR A 139 5.980 -3.211 -5.499 1.00 0.00 H new ATOM 0 HG22 THR A 139 4.570 -2.124 -5.469 1.00 0.00 H new ATOM 0 HG23 THR A 139 5.949 -1.823 -4.386 1.00 0.00 H new ATOM 2019 N PHE A 140 2.573 -0.766 -3.984 1.00 0.00 N ATOM 2020 CA PHE A 140 1.482 -0.109 -4.705 1.00 0.00 C ATOM 2021 C PHE A 140 2.020 0.656 -5.916 1.00 0.00 C ATOM 2022 O PHE A 140 3.163 1.127 -5.866 1.00 0.00 O ATOM 2023 CB PHE A 140 0.745 0.882 -3.796 1.00 0.00 C ATOM 2024 CG PHE A 140 0.326 0.409 -2.410 1.00 0.00 C ATOM 2025 CD1 PHE A 140 1.264 0.369 -1.357 1.00 0.00 C ATOM 2026 CD2 PHE A 140 -1.024 0.126 -2.131 1.00 0.00 C ATOM 2027 CE1 PHE A 140 0.842 0.098 -0.043 1.00 0.00 C ATOM 2028 CE2 PHE A 140 -1.449 -0.112 -0.817 1.00 0.00 C ATOM 2029 CZ PHE A 140 -0.520 -0.108 0.230 1.00 0.00 C ATOM 0 H PHE A 140 3.333 -0.132 -3.737 1.00 0.00 H new ATOM 0 HA PHE A 140 0.794 -0.888 -5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 140 1.382 1.757 -3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 140 -0.151 1.213 -4.321 1.00 0.00 H new ATOM 0 HD1 PHE A 140 2.310 0.547 -1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -1.740 0.092 -2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 140 1.566 0.048 0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -2.493 -0.298 -0.612 1.00 0.00 H new ATOM 0 HZ PHE A 140 -0.850 -0.263 1.246 1.00 0.00 H new ATOM 2039 N ASP A 141 1.202 0.860 -6.960 1.00 0.00 N ATOM 2040 CA ASP A 141 1.666 1.492 -8.188 1.00 0.00 C ATOM 2041 C ASP A 141 1.550 2.991 -8.031 1.00 0.00 C ATOM 2042 O ASP A 141 0.686 3.415 -7.273 1.00 0.00 O ATOM 2043 CB ASP A 141 0.758 1.069 -9.344 1.00 0.00 C ATOM 2044 CG ASP A 141 1.609 0.572 -10.508 1.00 0.00 C ATOM 2045 OD1 ASP A 141 2.565 1.299 -10.872 1.00 0.00 O ATOM 2046 OD2 ASP A 141 1.304 -0.531 -11.014 1.00 0.00 O ATOM 0 H ASP A 141 0.217 0.594 -6.971 1.00 0.00 H new ATOM 0 HA ASP A 141 2.697 1.199 -8.387 1.00 0.00 H new ATOM 0 HB2 ASP A 141 0.078 0.283 -9.016 1.00 0.00 H new ATOM 0 HB3 ASP A 141 0.143 1.910 -9.663 1.00 0.00 H new ATOM 2051 N ARG A 142 2.303 3.818 -8.758 1.00 0.00 N ATOM 2052 CA ARG A 142 1.950 5.234 -8.890 1.00 0.00 C ATOM 2053 C ARG A 142 0.961 5.353 -10.044 1.00 0.00 C ATOM 2054 O ARG A 142 1.378 5.472 -11.197 1.00 0.00 O ATOM 2055 CB ARG A 142 3.202 6.091 -9.110 1.00 0.00 C ATOM 2056 CG ARG A 142 2.900 7.586 -9.312 1.00 0.00 C ATOM 2057 CD ARG A 142 2.588 8.311 -8.000 1.00 0.00 C ATOM 2058 NE ARG A 142 2.611 9.777 -8.173 1.00 0.00 N ATOM 2059 CZ ARG A 142 3.236 10.655 -7.378 1.00 0.00 C ATOM 2060 NH1 ARG A 142 3.741 10.263 -6.211 1.00 0.00 N ATOM 2061 NH2 ARG A 142 3.340 11.927 -7.742 1.00 0.00 N ATOM 0 H ARG A 142 3.148 3.539 -9.257 1.00 0.00 H new ATOM 0 HA ARG A 142 1.489 5.606 -7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 142 3.866 5.976 -8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 142 3.739 5.717 -9.982 1.00 0.00 H new ATOM 0 HG2 ARG A 142 3.755 8.063 -9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 142 2.054 7.693 -9.991 1.00 0.00 H new ATOM 0 HD2 ARG A 142 1.608 8.002 -7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 142 3.315 8.022 -7.241 1.00 0.00 H new ATOM 0 HE ARG A 142 2.104 10.156 -8.972 1.00 0.00 H new ATOM 0 HH11 ARG A 142 3.653 9.290 -5.918 1.00 0.00 H new ATOM 0 HH12 ARG A 142 4.216 10.936 -5.609 1.00 0.00 H new ATOM 0 HH21 ARG A 142 2.943 12.238 -8.629 1.00 0.00 H new ATOM 0 HH22 ARG A 142 3.816 12.594 -7.135 1.00 0.00 H new ATOM 2075 N SER A 143 -0.337 5.359 -9.766 1.00 0.00 N ATOM 2076 CA SER A 143 -1.335 5.646 -10.781 1.00 0.00 C ATOM 2077 C SER A 143 -1.599 7.147 -10.729 1.00 0.00 C ATOM 2078 O SER A 143 -2.604 7.609 -10.186 1.00 0.00 O ATOM 2079 CB SER A 143 -2.566 4.787 -10.527 1.00 0.00 C ATOM 2080 OG SER A 143 -3.505 4.898 -11.577 1.00 0.00 O ATOM 0 H SER A 143 -0.721 5.167 -8.841 1.00 0.00 H new ATOM 0 HA SER A 143 -1.005 5.397 -11.790 1.00 0.00 H new ATOM 0 HB2 SER A 143 -2.266 3.745 -10.415 1.00 0.00 H new ATOM 0 HB3 SER A 143 -3.032 5.087 -9.588 1.00 0.00 H new ATOM 0 HG SER A 143 -4.282 4.333 -11.382 1.00 0.00 H new ATOM 2086 N THR A 144 -0.674 7.930 -11.277 1.00 0.00 N ATOM 2087 CA THR A 144 -0.787 9.386 -11.338 1.00 0.00 C ATOM 2088 C THR A 144 -1.647 9.878 -12.509 1.00 0.00 C ATOM 2089 O THR A 144 -1.643 11.076 -12.772 1.00 0.00 O ATOM 2090 CB THR A 144 0.620 10.018 -11.253 1.00 0.00 C ATOM 2091 OG1 THR A 144 0.620 11.397 -10.970 1.00 0.00 O ATOM 2092 CG2 THR A 144 1.491 9.749 -12.473 1.00 0.00 C ATOM 0 H THR A 144 0.183 7.569 -11.695 1.00 0.00 H new ATOM 0 HA THR A 144 -1.345 9.733 -10.468 1.00 0.00 H new ATOM 0 HB THR A 144 1.062 9.505 -10.399 1.00 0.00 H new ATOM 0 HG1 THR A 144 -0.127 11.827 -11.436 1.00 0.00 H new ATOM 0 HG21 THR A 144 2.462 10.225 -12.339 1.00 0.00 H new ATOM 0 HG22 THR A 144 1.627 8.674 -12.593 1.00 0.00 H new ATOM 0 HG23 THR A 144 1.008 10.155 -13.362 1.00 0.00 H new ATOM 2100 N ARG A 145 -2.407 8.996 -13.171 1.00 0.00 N ATOM 2101 CA ARG A 145 -3.147 9.277 -14.387 1.00 0.00 C ATOM 2102 C ARG A 145 -2.223 9.814 -15.474 1.00 0.00 C ATOM 2103 O ARG A 145 -1.594 8.949 -16.131 1.00 0.00 O ATOM 2104 CB ARG A 145 -4.379 10.148 -14.076 1.00 0.00 C ATOM 2105 CG ARG A 145 -5.321 10.118 -15.276 1.00 0.00 C ATOM 2106 CD ARG A 145 -6.591 10.950 -15.067 1.00 0.00 C ATOM 2107 NE ARG A 145 -7.488 10.424 -14.024 1.00 0.00 N ATOM 2108 CZ ARG A 145 -8.258 9.330 -14.093 1.00 0.00 C ATOM 2109 NH1 ARG A 145 -8.187 8.510 -15.138 1.00 0.00 N ATOM 2110 NH2 ARG A 145 -9.102 9.075 -13.103 1.00 0.00 N ATOM 0 H ARG A 145 -2.521 8.033 -12.854 1.00 0.00 H new ATOM 0 HA ARG A 145 -3.550 8.354 -14.804 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -4.889 9.776 -13.187 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -4.073 11.172 -13.863 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -4.792 10.488 -16.154 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -5.601 9.085 -15.484 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -6.306 11.969 -14.806 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -7.137 11.003 -16.009 1.00 0.00 H new ATOM 0 HE ARG A 145 -7.527 10.952 -13.152 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -7.540 8.711 -15.901 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -8.780 7.681 -15.177 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -9.158 9.707 -12.305 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -9.696 8.246 -13.140 1.00 0.00 H new