USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 727 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 37 THR OG1 : rot 170:sc= 0.28 USER MOD Set 1.2: A 118 ASN : amide:sc= 0.255 K(o=0.54,f=-0.15) USER MOD Set 2.1: A 80 LYS NZ :NH3+ 155:sc= 0.0528 (180deg=0) USER MOD Set 2.2: A 82 TYR OH : rot 130:sc= 0.0517 USER MOD Set 3.1: A 76 MET CE :methyl -120:sc= -0.247 (180deg=-1.43) USER MOD Set 3.2: A 83 SER OG : rot -179:sc= -0.841 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 117:sc= 1.12 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.345 K(o=-0.34,f=-3.1!) USER MOD Single : A 54 ASN : amide:sc= -0.422 K(o=-0.42,f=-1.3!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.794 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.954 K(o=-0.95,f=0.27) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot -110:sc= -0.582 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 176:sc= -1.95 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0534 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0595 USER MOD Single : A 93 SER OG : rot 176:sc= -2.19! USER MOD Single : A 94 LYS NZ :NH3+ 173:sc= -1.61! (180deg=-1.71!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 78:sc= 1.28 USER MOD Single : A 101 ASN : amide:sc= -1.37! C(o=-1.4!,f=-3.9!) USER MOD Single : A 103 LYS NZ :NH3+ -108:sc= 0.327 (180deg=-0.849) USER MOD Single : A 111 GLN : amide:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 230 N ILE A 35 1.239 8.383 9.298 1.00 0.00 N ATOM 231 CA ILE A 35 1.203 8.437 7.841 1.00 0.00 C ATOM 232 C ILE A 35 0.077 9.341 7.352 1.00 0.00 C ATOM 233 O ILE A 35 -1.058 9.240 7.815 1.00 0.00 O ATOM 234 CB ILE A 35 1.023 7.035 7.230 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.249 6.166 7.519 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.780 7.136 5.731 1.00 0.00 C ATOM 237 CD1 ILE A 35 2.011 4.690 7.291 1.00 0.00 C ATOM 0 HA ILE A 35 2.160 8.845 7.517 1.00 0.00 H new ATOM 0 HB ILE A 35 0.153 6.566 7.688 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.074 6.494 6.887 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.558 6.320 8.553 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.655 6.137 5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.121 7.721 5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.632 7.623 5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.922 4.136 7.515 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.207 4.346 7.942 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.732 4.523 6.251 1.00 0.00 H new ATOM 249 N GLU A 36 0.400 10.224 6.412 1.00 0.00 N ATOM 250 CA GLU A 36 -0.585 11.145 5.859 1.00 0.00 C ATOM 251 C GLU A 36 -1.005 10.716 4.456 1.00 0.00 C ATOM 252 O GLU A 36 -0.180 10.636 3.545 1.00 0.00 O ATOM 253 CB GLU A 36 -0.022 12.567 5.823 1.00 0.00 C ATOM 254 CG GLU A 36 0.350 13.111 7.191 1.00 0.00 C ATOM 255 CD GLU A 36 1.018 14.470 7.119 1.00 0.00 C ATOM 256 OE1 GLU A 36 1.835 14.681 6.198 1.00 0.00 O ATOM 257 OE2 GLU A 36 0.725 15.322 7.982 1.00 0.00 O ATOM 0 H GLU A 36 1.336 10.321 6.018 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.464 11.126 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.860 12.583 5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.758 13.228 5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.548 13.184 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.019 12.408 7.687 1.00 0.00 H new ATOM 264 N THR A 37 -2.295 10.440 4.289 1.00 0.00 N ATOM 265 CA THR A 37 -2.825 10.018 3.000 1.00 0.00 C ATOM 266 C THR A 37 -3.818 11.037 2.453 1.00 0.00 C ATOM 267 O THR A 37 -4.685 11.525 3.176 1.00 0.00 O ATOM 268 CB THR A 37 -3.518 8.646 3.099 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.744 8.768 3.830 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.614 7.631 3.782 1.00 0.00 C ATOM 0 H THR A 37 -2.992 10.502 5.032 1.00 0.00 H new ATOM 0 HA THR A 37 -1.976 9.940 2.320 1.00 0.00 H new ATOM 0 HB THR A 37 -3.731 8.297 2.088 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.259 7.938 3.746 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.125 6.670 3.840 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.694 7.519 3.208 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.374 7.976 4.788 1.00 0.00 H new ATOM 278 N VAL A 38 -3.684 11.356 1.169 1.00 0.00 N ATOM 279 CA VAL A 38 -4.571 12.317 0.523 1.00 0.00 C ATOM 280 C VAL A 38 -5.915 11.683 0.186 1.00 0.00 C ATOM 281 O VAL A 38 -6.170 10.527 0.523 1.00 0.00 O ATOM 282 CB VAL A 38 -3.943 12.881 -0.765 1.00 0.00 C ATOM 283 CG1 VAL A 38 -2.754 13.770 -0.436 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.534 11.751 -1.697 1.00 0.00 C ATOM 0 H VAL A 38 -2.970 10.963 0.556 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.725 13.132 1.230 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.689 13.490 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.324 14.159 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.082 14.600 0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.002 13.189 0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.092 12.168 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.805 11.113 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.412 11.161 -1.960 1.00 0.00 H new ATOM 294 N SER A 39 -6.773 12.449 -0.481 1.00 0.00 N ATOM 295 CA SER A 39 -8.095 11.963 -0.862 1.00 0.00 C ATOM 296 C SER A 39 -8.140 11.619 -2.347 1.00 0.00 C ATOM 297 O SER A 39 -8.661 10.574 -2.737 1.00 0.00 O ATOM 298 CB SER A 39 -9.160 13.013 -0.537 1.00 0.00 C ATOM 299 OG SER A 39 -10.461 12.457 -0.607 1.00 0.00 O ATOM 0 H SER A 39 -6.577 13.408 -0.769 1.00 0.00 H new ATOM 0 HA SER A 39 -8.301 11.058 -0.291 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.986 13.415 0.461 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.079 13.846 -1.235 1.00 0.00 H new ATOM 0 HG SER A 39 -11.124 13.147 -0.394 1.00 0.00 H new ATOM 305 N TYR A 40 -7.590 12.505 -3.170 1.00 0.00 N ATOM 306 CA TYR A 40 -7.568 12.297 -4.614 1.00 0.00 C ATOM 307 C TYR A 40 -6.636 11.148 -4.984 1.00 0.00 C ATOM 308 O TYR A 40 -5.727 10.803 -4.230 1.00 0.00 O ATOM 309 CB TYR A 40 -7.130 13.576 -5.328 1.00 0.00 C ATOM 310 CG TYR A 40 -5.752 14.051 -4.926 1.00 0.00 C ATOM 311 CD1 TYR A 40 -5.568 14.834 -3.794 1.00 0.00 C ATOM 312 CD2 TYR A 40 -4.633 13.717 -5.681 1.00 0.00 C ATOM 313 CE1 TYR A 40 -4.310 15.271 -3.423 1.00 0.00 C ATOM 314 CE2 TYR A 40 -3.373 14.149 -5.318 1.00 0.00 C ATOM 315 CZ TYR A 40 -3.216 14.925 -4.189 1.00 0.00 C ATOM 316 OH TYR A 40 -1.961 15.358 -3.825 1.00 0.00 O ATOM 0 H TYR A 40 -7.153 13.374 -2.862 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.577 12.039 -4.934 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.147 13.405 -6.404 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.853 14.365 -5.119 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.423 15.106 -3.193 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.752 13.110 -6.566 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.184 15.879 -2.539 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.514 13.880 -5.915 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.301 15.026 -4.469 1.00 0.00 H new ATOM 326 N ALA A 41 -6.869 10.560 -6.153 1.00 0.00 N ATOM 327 CA ALA A 41 -6.048 9.452 -6.628 1.00 0.00 C ATOM 328 C ALA A 41 -4.596 9.880 -6.803 1.00 0.00 C ATOM 329 O ALA A 41 -4.313 10.940 -7.364 1.00 0.00 O ATOM 330 CB ALA A 41 -6.603 8.908 -7.937 1.00 0.00 C ATOM 0 H ALA A 41 -7.619 10.832 -6.788 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.077 8.662 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.981 8.082 -8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.622 8.555 -7.781 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.604 9.698 -8.688 1.00 0.00 H new ATOM 336 N THR A 42 -3.676 9.050 -6.320 1.00 0.00 N ATOM 337 CA THR A 42 -2.253 9.345 -6.422 1.00 0.00 C ATOM 338 C THR A 42 -1.470 8.120 -6.885 1.00 0.00 C ATOM 339 O THR A 42 -1.604 7.037 -6.317 1.00 0.00 O ATOM 340 CB THR A 42 -1.680 9.827 -5.076 1.00 0.00 C ATOM 341 OG1 THR A 42 -1.942 8.855 -4.056 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.287 11.164 -4.677 1.00 0.00 C ATOM 0 H THR A 42 -3.892 8.168 -5.854 1.00 0.00 H new ATOM 0 HA THR A 42 -2.148 10.141 -7.159 1.00 0.00 H new ATOM 0 HB THR A 42 -0.603 9.954 -5.189 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.094 8.508 -3.709 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.867 11.484 -3.723 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.062 11.908 -5.441 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.368 11.059 -4.581 1.00 0.00 H new ATOM 350 N GLN A 43 -0.655 8.301 -7.919 1.00 0.00 N ATOM 351 CA GLN A 43 0.149 7.210 -8.456 1.00 0.00 C ATOM 352 C GLN A 43 0.761 6.380 -7.334 1.00 0.00 C ATOM 353 O GLN A 43 0.971 5.176 -7.483 1.00 0.00 O ATOM 354 CB GLN A 43 1.254 7.760 -9.361 1.00 0.00 C ATOM 355 CG GLN A 43 0.747 8.270 -10.700 1.00 0.00 C ATOM 356 CD GLN A 43 1.839 8.914 -11.530 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.102 10.111 -11.410 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.483 8.122 -12.379 1.00 0.00 N ATOM 0 H GLN A 43 -0.534 9.192 -8.401 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.505 6.566 -9.043 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.766 8.571 -8.843 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.992 6.977 -9.536 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.312 7.442 -11.259 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.050 8.994 -10.531 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.233 7.135 -12.446 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.228 8.500 -12.964 1.00 0.00 H new ATOM 367 N SER A 44 1.045 7.030 -6.210 1.00 0.00 N ATOM 368 CA SER A 44 1.637 6.352 -5.063 1.00 0.00 C ATOM 369 C SER A 44 0.555 5.844 -4.114 1.00 0.00 C ATOM 370 O SER A 44 -0.458 6.510 -3.897 1.00 0.00 O ATOM 371 CB SER A 44 2.583 7.295 -4.318 1.00 0.00 C ATOM 372 OG SER A 44 3.531 7.869 -5.202 1.00 0.00 O ATOM 0 H SER A 44 0.875 8.026 -6.069 1.00 0.00 H new ATOM 0 HA SER A 44 2.204 5.497 -5.431 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.008 8.084 -3.834 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.100 6.748 -3.530 1.00 0.00 H new ATOM 0 HG SER A 44 4.123 8.469 -4.702 1.00 0.00 H new ATOM 378 N LEU A 45 0.777 4.662 -3.552 1.00 0.00 N ATOM 379 CA LEU A 45 -0.177 4.064 -2.625 1.00 0.00 C ATOM 380 C LEU A 45 0.537 3.472 -1.414 1.00 0.00 C ATOM 381 O LEU A 45 1.697 3.069 -1.500 1.00 0.00 O ATOM 382 CB LEU A 45 -0.992 2.979 -3.332 1.00 0.00 C ATOM 383 CG LEU A 45 -1.978 3.465 -4.395 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.364 2.325 -5.325 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.213 4.065 -3.742 1.00 0.00 C ATOM 0 H LEU A 45 1.610 4.098 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.850 4.848 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.299 2.280 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.547 2.421 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.492 4.241 -4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.066 2.689 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.472 1.941 -5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.831 1.527 -4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.903 4.405 -4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.701 3.311 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.921 4.910 -3.118 1.00 0.00 H new ATOM 397 N VAL A 46 -0.165 3.420 -0.287 1.00 0.00 N ATOM 398 CA VAL A 46 0.400 2.874 0.941 1.00 0.00 C ATOM 399 C VAL A 46 -0.378 1.648 1.407 1.00 0.00 C ATOM 400 O VAL A 46 -1.588 1.712 1.623 1.00 0.00 O ATOM 401 CB VAL A 46 0.407 3.923 2.070 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.014 4.336 2.424 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.134 3.384 3.293 1.00 0.00 C ATOM 0 H VAL A 46 -1.126 3.749 -0.199 1.00 0.00 H new ATOM 0 HA VAL A 46 1.427 2.585 0.716 1.00 0.00 H new ATOM 0 HB VAL A 46 0.940 4.806 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.989 5.077 3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.498 4.765 1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.575 3.462 2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.129 4.138 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.631 2.485 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.163 3.143 3.028 1.00 0.00 H new ATOM 413 N VAL A 47 0.327 0.532 1.560 1.00 0.00 N ATOM 414 CA VAL A 47 -0.296 -0.711 2.001 1.00 0.00 C ATOM 415 C VAL A 47 -0.364 -0.782 3.522 1.00 0.00 C ATOM 416 O VAL A 47 0.664 -0.781 4.200 1.00 0.00 O ATOM 417 CB VAL A 47 0.467 -1.940 1.474 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.422 -3.174 1.504 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.986 -1.681 0.067 1.00 0.00 C ATOM 0 H VAL A 47 1.330 0.463 1.385 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.307 -0.719 1.594 1.00 0.00 H new ATOM 0 HB VAL A 47 1.322 -2.122 2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.134 -4.033 1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.740 -3.368 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.298 -3.007 0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.523 -2.560 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.147 -1.473 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.660 -0.824 0.080 1.00 0.00 H new ATOM 429 N ALA A 48 -1.580 -0.843 4.054 1.00 0.00 N ATOM 430 CA ALA A 48 -1.782 -0.918 5.495 1.00 0.00 C ATOM 431 C ALA A 48 -1.917 -2.364 5.957 1.00 0.00 C ATOM 432 O ALA A 48 -2.343 -3.232 5.196 1.00 0.00 O ATOM 433 CB ALA A 48 -3.010 -0.115 5.898 1.00 0.00 C ATOM 0 H ALA A 48 -2.441 -0.842 3.507 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.906 -0.490 5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.149 -0.180 6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.873 0.928 5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.889 -0.517 5.394 1.00 0.00 H new ATOM 439 N ASN A 49 -1.552 -2.618 7.209 1.00 0.00 N ATOM 440 CA ASN A 49 -1.633 -3.961 7.772 1.00 0.00 C ATOM 441 C ASN A 49 -0.762 -4.934 6.983 1.00 0.00 C ATOM 442 O ASN A 49 -1.011 -6.139 6.973 1.00 0.00 O ATOM 443 CB ASN A 49 -3.083 -4.447 7.780 1.00 0.00 C ATOM 444 CG ASN A 49 -4.014 -3.480 8.485 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.593 -2.414 8.936 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.285 -3.848 8.584 1.00 0.00 N ATOM 0 H ASN A 49 -1.197 -1.911 7.853 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.266 -3.921 8.797 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.421 -4.589 6.754 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.135 -5.419 8.270 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.958 -3.238 9.049 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.589 -4.741 8.195 1.00 0.00 H new ATOM 453 N GLY A 50 0.262 -4.402 6.322 1.00 0.00 N ATOM 454 CA GLY A 50 1.154 -5.237 5.539 1.00 0.00 C ATOM 455 C GLY A 50 2.612 -5.015 5.890 1.00 0.00 C ATOM 456 O GLY A 50 2.994 -5.084 7.057 1.00 0.00 O ATOM 0 H GLY A 50 0.490 -3.408 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.900 -6.285 5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.003 -5.031 4.479 1.00 0.00 H new ATOM 460 N GLY A 51 3.429 -4.749 4.875 1.00 0.00 N ATOM 461 CA GLY A 51 4.845 -4.523 5.103 1.00 0.00 C ATOM 462 C GLY A 51 5.547 -5.749 5.653 1.00 0.00 C ATOM 463 O GLY A 51 4.930 -6.580 6.321 1.00 0.00 O ATOM 0 H GLY A 51 3.136 -4.686 3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.318 -4.227 4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.970 -3.694 5.799 1.00 0.00 H new ATOM 467 N LEU A 52 6.840 -5.865 5.369 1.00 0.00 N ATOM 468 CA LEU A 52 7.628 -6.999 5.839 1.00 0.00 C ATOM 469 C LEU A 52 7.279 -7.343 7.283 1.00 0.00 C ATOM 470 O LEU A 52 7.013 -8.499 7.610 1.00 0.00 O ATOM 471 CB LEU A 52 9.121 -6.692 5.721 1.00 0.00 C ATOM 472 CG LEU A 52 9.626 -6.340 4.322 1.00 0.00 C ATOM 473 CD1 LEU A 52 10.952 -5.599 4.403 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.766 -7.596 3.473 1.00 0.00 C ATOM 0 H LEU A 52 7.365 -5.188 4.816 1.00 0.00 H new ATOM 0 HA LEU A 52 7.391 -7.859 5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.355 -5.863 6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.679 -7.557 6.080 1.00 0.00 H new ATOM 0 HG LEU A 52 8.895 -5.685 3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.296 -5.357 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.821 -4.679 4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.691 -6.229 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.127 -7.326 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.475 -8.276 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.796 -8.086 3.386 1.00 0.00 H new ATOM 486 N GLY A 53 7.282 -6.330 8.145 1.00 0.00 N ATOM 487 CA GLY A 53 6.963 -6.546 9.544 1.00 0.00 C ATOM 488 C GLY A 53 5.822 -7.526 9.734 1.00 0.00 C ATOM 489 O GLY A 53 5.823 -8.313 10.680 1.00 0.00 O ATOM 0 H GLY A 53 7.500 -5.364 7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.847 -6.918 10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.701 -5.594 10.005 1.00 0.00 H new ATOM 493 N ASN A 54 4.846 -7.478 8.833 1.00 0.00 N ATOM 494 CA ASN A 54 3.693 -8.368 8.908 1.00 0.00 C ATOM 495 C ASN A 54 3.966 -9.675 8.171 1.00 0.00 C ATOM 496 O ASN A 54 3.057 -10.284 7.607 1.00 0.00 O ATOM 497 CB ASN A 54 2.457 -7.685 8.318 1.00 0.00 C ATOM 498 CG ASN A 54 1.165 -8.230 8.897 1.00 0.00 C ATOM 499 OD1 ASN A 54 0.896 -9.429 8.824 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.357 -7.348 9.475 1.00 0.00 N ATOM 0 H ASN A 54 4.830 -6.833 8.043 1.00 0.00 H new ATOM 0 HA ASN A 54 3.508 -8.596 9.958 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.513 -6.613 8.506 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.452 -7.819 7.236 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.527 -7.656 9.881 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.620 -6.363 9.513 1.00 0.00 H new ATOM 507 N GLY A 55 5.225 -10.101 8.180 1.00 0.00 N ATOM 508 CA GLY A 55 5.596 -11.335 7.510 1.00 0.00 C ATOM 509 C GLY A 55 5.176 -11.351 6.053 1.00 0.00 C ATOM 510 O GLY A 55 4.904 -12.412 5.490 1.00 0.00 O ATOM 0 H GLY A 55 5.995 -9.614 8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.676 -11.470 7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.137 -12.178 8.027 1.00 0.00 H new ATOM 514 N VAL A 56 5.121 -10.172 5.441 1.00 0.00 N ATOM 515 CA VAL A 56 4.729 -10.056 4.041 1.00 0.00 C ATOM 516 C VAL A 56 5.944 -9.828 3.148 1.00 0.00 C ATOM 517 O VAL A 56 6.620 -8.804 3.254 1.00 0.00 O ATOM 518 CB VAL A 56 3.728 -8.904 3.832 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.406 -8.737 2.356 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.461 -9.147 4.638 1.00 0.00 C ATOM 0 H VAL A 56 5.343 -9.284 5.892 1.00 0.00 H new ATOM 0 HA VAL A 56 4.251 -10.996 3.767 1.00 0.00 H new ATOM 0 HB VAL A 56 4.185 -7.980 4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.697 -7.919 2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.321 -8.514 1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.969 -9.659 1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.765 -8.324 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.999 -10.080 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.710 -9.211 5.697 1.00 0.00 H new ATOM 530 N SER A 57 6.215 -10.787 2.269 1.00 0.00 N ATOM 531 CA SER A 57 7.351 -10.692 1.360 1.00 0.00 C ATOM 532 C SER A 57 6.970 -9.930 0.094 1.00 0.00 C ATOM 533 O SER A 57 5.792 -9.826 -0.250 1.00 0.00 O ATOM 534 CB SER A 57 7.858 -12.089 0.997 1.00 0.00 C ATOM 535 OG SER A 57 7.029 -12.693 0.019 1.00 0.00 O ATOM 0 H SER A 57 5.663 -11.639 2.167 1.00 0.00 H new ATOM 0 HA SER A 57 8.147 -10.145 1.866 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.879 -12.023 0.622 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.886 -12.713 1.890 1.00 0.00 H new ATOM 0 HG SER A 57 7.375 -13.584 -0.198 1.00 0.00 H new ATOM 541 N ARG A 58 7.975 -9.401 -0.595 1.00 0.00 N ATOM 542 CA ARG A 58 7.747 -8.649 -1.824 1.00 0.00 C ATOM 543 C ARG A 58 7.089 -9.526 -2.884 1.00 0.00 C ATOM 544 O ARG A 58 6.177 -9.090 -3.585 1.00 0.00 O ATOM 545 CB ARG A 58 9.068 -8.089 -2.356 1.00 0.00 C ATOM 546 CG ARG A 58 9.015 -7.696 -3.824 1.00 0.00 C ATOM 547 CD ARG A 58 9.999 -6.580 -4.138 1.00 0.00 C ATOM 548 NE ARG A 58 11.321 -7.098 -4.480 1.00 0.00 N ATOM 549 CZ ARG A 58 11.601 -7.693 -5.636 1.00 0.00 C ATOM 550 NH1 ARG A 58 10.656 -7.844 -6.553 1.00 0.00 N ATOM 551 NH2 ARG A 58 12.829 -8.137 -5.873 1.00 0.00 N ATOM 0 H ARG A 58 8.955 -9.479 -0.324 1.00 0.00 H new ATOM 0 HA ARG A 58 7.075 -7.821 -1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.348 -7.217 -1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.851 -8.834 -2.216 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.239 -8.565 -4.443 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.005 -7.375 -4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.618 -5.983 -4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.081 -5.916 -3.278 1.00 0.00 H new ATOM 0 HE ARG A 58 12.070 -6.998 -3.795 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.712 -7.504 -6.373 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.873 -8.301 -7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.558 -8.022 -5.169 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.044 -8.593 -6.759 1.00 0.00 H new ATOM 565 N ASN A 59 7.559 -10.763 -2.996 1.00 0.00 N ATOM 566 CA ASN A 59 7.018 -11.702 -3.972 1.00 0.00 C ATOM 567 C ASN A 59 5.650 -12.217 -3.532 1.00 0.00 C ATOM 568 O ASN A 59 4.997 -12.967 -4.255 1.00 0.00 O ATOM 569 CB ASN A 59 7.977 -12.877 -4.169 1.00 0.00 C ATOM 570 CG ASN A 59 7.890 -13.467 -5.562 1.00 0.00 C ATOM 571 OD1 ASN A 59 7.257 -14.503 -5.771 1.00 0.00 O ATOM 572 ND2 ASN A 59 8.527 -12.810 -6.525 1.00 0.00 N ATOM 0 H ASN A 59 8.314 -11.139 -2.423 1.00 0.00 H new ATOM 0 HA ASN A 59 6.902 -11.174 -4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.998 -12.544 -3.981 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.754 -13.651 -3.435 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.504 -13.160 -7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.039 -11.955 -6.307 1.00 0.00 H new ATOM 579 N GLN A 60 5.224 -11.805 -2.341 1.00 0.00 N ATOM 580 CA GLN A 60 3.936 -12.224 -1.805 1.00 0.00 C ATOM 581 C GLN A 60 2.938 -11.070 -1.819 1.00 0.00 C ATOM 582 O GLN A 60 1.730 -11.278 -1.695 1.00 0.00 O ATOM 583 CB GLN A 60 4.100 -12.753 -0.379 1.00 0.00 C ATOM 584 CG GLN A 60 2.800 -12.799 0.407 1.00 0.00 C ATOM 585 CD GLN A 60 1.812 -13.800 -0.156 1.00 0.00 C ATOM 586 OE1 GLN A 60 0.823 -13.426 -0.789 1.00 0.00 O ATOM 587 NE2 GLN A 60 2.073 -15.082 0.070 1.00 0.00 N ATOM 0 H GLN A 60 5.753 -11.182 -1.731 1.00 0.00 H new ATOM 0 HA GLN A 60 3.550 -13.022 -2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.526 -13.756 -0.419 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.814 -12.124 0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.016 -13.052 1.445 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.346 -11.808 0.409 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.904 -15.348 0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.443 -15.801 -0.286 1.00 0.00 H new ATOM 596 N LEU A 61 3.451 -9.854 -1.970 1.00 0.00 N ATOM 597 CA LEU A 61 2.606 -8.665 -2.001 1.00 0.00 C ATOM 598 C LEU A 61 2.556 -8.069 -3.404 1.00 0.00 C ATOM 599 O LEU A 61 1.510 -7.597 -3.852 1.00 0.00 O ATOM 600 CB LEU A 61 3.122 -7.623 -1.009 1.00 0.00 C ATOM 601 CG LEU A 61 2.195 -6.436 -0.738 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.952 -6.889 0.011 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.928 -5.356 0.044 1.00 0.00 C ATOM 0 H LEU A 61 4.448 -9.665 -2.073 1.00 0.00 H new ATOM 0 HA LEU A 61 1.596 -8.959 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.326 -8.122 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.073 -7.239 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 61 1.884 -6.016 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.305 -6.031 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.416 -7.627 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.243 -7.334 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.254 -4.519 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.269 -5.764 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.787 -5.010 -0.531 1.00 0.00 H new ATOM 615 N LEU A 62 3.691 -8.093 -4.093 1.00 0.00 N ATOM 616 CA LEU A 62 3.778 -7.557 -5.446 1.00 0.00 C ATOM 617 C LEU A 62 2.775 -8.243 -6.369 1.00 0.00 C ATOM 618 O LEU A 62 2.109 -7.606 -7.185 1.00 0.00 O ATOM 619 CB LEU A 62 5.195 -7.729 -5.995 1.00 0.00 C ATOM 620 CG LEU A 62 5.335 -7.686 -7.517 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.191 -6.259 -8.026 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.671 -8.274 -7.947 1.00 0.00 C ATOM 0 H LEU A 62 4.565 -8.479 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 62 3.538 -6.494 -5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.825 -6.948 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.587 -8.682 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 62 4.538 -8.289 -7.953 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.293 -6.248 -9.111 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.210 -5.871 -7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.966 -5.634 -7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.753 -8.235 -9.033 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.482 -7.699 -7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.736 -9.310 -7.615 1.00 0.00 H new ATOM 634 N PRO A 63 2.663 -9.573 -6.236 1.00 0.00 N ATOM 635 CA PRO A 63 1.743 -10.375 -7.048 1.00 0.00 C ATOM 636 C PRO A 63 0.341 -9.775 -7.097 1.00 0.00 C ATOM 637 O PRO A 63 -0.291 -9.733 -8.152 1.00 0.00 O ATOM 638 CB PRO A 63 1.722 -11.726 -6.330 1.00 0.00 C ATOM 639 CG PRO A 63 3.033 -11.801 -5.625 1.00 0.00 C ATOM 640 CD PRO A 63 3.427 -10.396 -5.285 1.00 0.00 C ATOM 0 HA PRO A 63 2.063 -10.435 -8.088 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.891 -11.788 -5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.605 -12.548 -7.036 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.952 -12.408 -4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.786 -12.270 -6.259 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.177 -10.150 -4.253 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.500 -10.244 -5.398 1.00 0.00 H new ATOM 648 N VAL A 64 -0.140 -9.312 -5.947 1.00 0.00 N ATOM 649 CA VAL A 64 -1.466 -8.714 -5.859 1.00 0.00 C ATOM 650 C VAL A 64 -1.491 -7.334 -6.505 1.00 0.00 C ATOM 651 O VAL A 64 -2.540 -6.860 -6.943 1.00 0.00 O ATOM 652 CB VAL A 64 -1.931 -8.592 -4.395 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.341 -8.027 -4.328 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.853 -9.942 -3.697 1.00 0.00 C ATOM 0 H VAL A 64 0.369 -9.340 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.147 -9.375 -6.395 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.265 -7.902 -3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.652 -7.948 -3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.359 -7.039 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.024 -8.688 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.185 -9.837 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.494 -10.656 -4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.824 -10.301 -3.713 1.00 0.00 H new ATOM 664 N LEU A 65 -0.328 -6.693 -6.562 1.00 0.00 N ATOM 665 CA LEU A 65 -0.216 -5.366 -7.157 1.00 0.00 C ATOM 666 C LEU A 65 -0.017 -5.460 -8.666 1.00 0.00 C ATOM 667 O LEU A 65 -0.270 -4.502 -9.396 1.00 0.00 O ATOM 668 CB LEU A 65 0.948 -4.600 -6.524 1.00 0.00 C ATOM 669 CG LEU A 65 0.910 -4.459 -5.002 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.280 -4.069 -4.467 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.137 -3.436 -4.586 1.00 0.00 C ATOM 0 H LEU A 65 0.549 -7.070 -6.204 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.145 -4.829 -6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.877 -5.098 -6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.980 -3.602 -6.961 1.00 0.00 H new ATOM 0 HG LEU A 65 0.636 -5.424 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.233 -3.973 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.006 -4.837 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.583 -3.117 -4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.149 -3.349 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.106 -2.468 -5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.118 -3.757 -4.936 1.00 0.00 H new ATOM 683 N GLU A 66 0.437 -6.621 -9.127 1.00 0.00 N ATOM 684 CA GLU A 66 0.669 -6.840 -10.549 1.00 0.00 C ATOM 685 C GLU A 66 -0.610 -7.298 -11.245 1.00 0.00 C ATOM 686 O GLU A 66 -0.944 -6.826 -12.332 1.00 0.00 O ATOM 687 CB GLU A 66 1.774 -7.878 -10.756 1.00 0.00 C ATOM 688 CG GLU A 66 3.165 -7.357 -10.435 1.00 0.00 C ATOM 689 CD GLU A 66 4.231 -8.430 -10.555 1.00 0.00 C ATOM 690 OE1 GLU A 66 3.879 -9.626 -10.495 1.00 0.00 O ATOM 691 OE2 GLU A 66 5.418 -8.072 -10.708 1.00 0.00 O ATOM 0 H GLU A 66 0.651 -7.424 -8.536 1.00 0.00 H new ATOM 0 HA GLU A 66 0.983 -5.893 -10.989 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.567 -8.747 -10.131 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.752 -8.218 -11.791 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.405 -6.534 -11.108 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.173 -6.953 -9.423 1.00 0.00 H new ATOM 698 N LYS A 67 -1.324 -8.222 -10.610 1.00 0.00 N ATOM 699 CA LYS A 67 -2.566 -8.745 -11.164 1.00 0.00 C ATOM 700 C LYS A 67 -3.523 -7.612 -11.518 1.00 0.00 C ATOM 701 O LYS A 67 -4.245 -7.684 -12.513 1.00 0.00 O ATOM 702 CB LYS A 67 -3.232 -9.698 -10.169 1.00 0.00 C ATOM 703 CG LYS A 67 -3.550 -9.055 -8.830 1.00 0.00 C ATOM 704 CD LYS A 67 -4.145 -10.058 -7.857 1.00 0.00 C ATOM 705 CE LYS A 67 -5.595 -10.369 -8.195 1.00 0.00 C ATOM 706 NZ LYS A 67 -6.532 -9.393 -7.574 1.00 0.00 N ATOM 0 H LYS A 67 -1.062 -8.624 -9.710 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.326 -9.292 -12.076 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.154 -10.081 -10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.578 -10.554 -10.005 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.641 -8.629 -8.405 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.249 -8.232 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.560 -10.978 -7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.083 -9.664 -6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.726 -10.359 -9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.840 -11.375 -7.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.510 -9.640 -7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.426 -9.420 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.316 -8.436 -7.919 1.00 0.00 H new ATOM 720 N CYS A 68 -3.524 -6.567 -10.698 1.00 0.00 N ATOM 721 CA CYS A 68 -4.393 -5.417 -10.924 1.00 0.00 C ATOM 722 C CYS A 68 -3.875 -4.564 -12.078 1.00 0.00 C ATOM 723 O CYS A 68 -4.540 -4.418 -13.102 1.00 0.00 O ATOM 724 CB CYS A 68 -4.496 -4.571 -9.655 1.00 0.00 C ATOM 725 SG CYS A 68 -5.839 -5.062 -8.548 1.00 0.00 S ATOM 0 H CYS A 68 -2.933 -6.492 -9.870 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.384 -5.788 -11.185 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.552 -4.632 -9.113 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.635 -3.527 -9.937 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.764 -4.148 -8.556 1.00 0.00 H new ATOM 731 N GLY A 69 -2.684 -4.001 -11.903 1.00 0.00 N ATOM 732 CA GLY A 69 -2.098 -3.167 -12.936 1.00 0.00 C ATOM 733 C GLY A 69 -0.596 -3.344 -13.042 1.00 0.00 C ATOM 734 O GLY A 69 -0.065 -4.406 -12.716 1.00 0.00 O ATOM 0 H GLY A 69 -2.114 -4.107 -11.064 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.557 -3.406 -13.895 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.324 -2.121 -12.726 1.00 0.00 H new ATOM 738 N LEU A 70 0.089 -2.302 -13.500 1.00 0.00 N ATOM 739 CA LEU A 70 1.540 -2.347 -13.650 1.00 0.00 C ATOM 740 C LEU A 70 2.231 -1.713 -12.447 1.00 0.00 C ATOM 741 O LEU A 70 1.954 -0.568 -12.091 1.00 0.00 O ATOM 742 CB LEU A 70 1.962 -1.629 -14.933 1.00 0.00 C ATOM 743 CG LEU A 70 1.661 -2.361 -16.241 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.835 -1.426 -17.428 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.554 -3.584 -16.388 1.00 0.00 C ATOM 0 H LEU A 70 -0.336 -1.416 -13.774 1.00 0.00 H new ATOM 0 HA LEU A 70 1.843 -3.392 -13.710 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.468 -0.658 -14.961 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.034 -1.440 -14.884 1.00 0.00 H new ATOM 0 HG LEU A 70 0.624 -2.695 -16.216 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.617 -1.964 -18.350 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.152 -0.582 -17.330 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.861 -1.060 -17.456 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.325 -4.091 -17.325 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.599 -3.274 -16.390 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.379 -4.264 -15.555 1.00 0.00 H new ATOM 757 N VAL A 71 3.135 -2.465 -11.826 1.00 0.00 N ATOM 758 CA VAL A 71 3.870 -1.975 -10.666 1.00 0.00 C ATOM 759 C VAL A 71 5.216 -1.389 -11.075 1.00 0.00 C ATOM 760 O VAL A 71 6.143 -2.121 -11.424 1.00 0.00 O ATOM 761 CB VAL A 71 4.102 -3.096 -9.635 1.00 0.00 C ATOM 762 CG1 VAL A 71 4.906 -2.576 -8.453 1.00 0.00 C ATOM 763 CG2 VAL A 71 2.775 -3.677 -9.173 1.00 0.00 C ATOM 0 H VAL A 71 3.376 -3.416 -12.107 1.00 0.00 H new ATOM 0 HA VAL A 71 3.261 -1.194 -10.212 1.00 0.00 H new ATOM 0 HB VAL A 71 4.675 -3.892 -10.111 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.060 -3.382 -7.735 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.872 -2.212 -8.802 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.363 -1.762 -7.973 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.958 -4.467 -8.445 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.174 -2.892 -8.713 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.240 -4.089 -10.029 1.00 0.00 H new ATOM 773 N ASP A 72 5.318 -0.065 -11.029 1.00 0.00 N ATOM 774 CA ASP A 72 6.552 0.621 -11.394 1.00 0.00 C ATOM 775 C ASP A 72 7.621 0.419 -10.324 1.00 0.00 C ATOM 776 O ASP A 72 8.768 0.095 -10.633 1.00 0.00 O ATOM 777 CB ASP A 72 6.290 2.114 -11.596 1.00 0.00 C ATOM 778 CG ASP A 72 7.402 2.797 -12.368 1.00 0.00 C ATOM 779 OD1 ASP A 72 7.487 2.587 -13.597 1.00 0.00 O ATOM 780 OD2 ASP A 72 8.187 3.541 -11.744 1.00 0.00 O ATOM 0 H ASP A 72 4.560 0.555 -10.742 1.00 0.00 H new ATOM 0 HA ASP A 72 6.914 0.195 -12.330 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.348 2.246 -12.128 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.177 2.595 -10.624 1.00 0.00 H new ATOM 785 N ALA A 73 7.237 0.614 -9.067 1.00 0.00 N ATOM 786 CA ALA A 73 8.163 0.453 -7.952 1.00 0.00 C ATOM 787 C ALA A 73 7.419 0.112 -6.666 1.00 0.00 C ATOM 788 O ALA A 73 6.391 0.714 -6.353 1.00 0.00 O ATOM 789 CB ALA A 73 8.991 1.716 -7.767 1.00 0.00 C ATOM 0 H ALA A 73 6.292 0.884 -8.795 1.00 0.00 H new ATOM 0 HA ALA A 73 8.832 -0.376 -8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.678 1.582 -6.931 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.559 1.915 -8.676 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.330 2.558 -7.561 1.00 0.00 H new ATOM 795 N LEU A 74 7.943 -0.857 -5.923 1.00 0.00 N ATOM 796 CA LEU A 74 7.327 -1.279 -4.670 1.00 0.00 C ATOM 797 C LEU A 74 8.291 -1.096 -3.502 1.00 0.00 C ATOM 798 O LEU A 74 9.188 -1.913 -3.289 1.00 0.00 O ATOM 799 CB LEU A 74 6.890 -2.742 -4.761 1.00 0.00 C ATOM 800 CG LEU A 74 6.535 -3.419 -3.437 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.409 -2.671 -2.739 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.148 -4.873 -3.668 1.00 0.00 C ATOM 0 H LEU A 74 8.793 -1.365 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 74 6.450 -0.655 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.024 -2.802 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.690 -3.311 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 74 7.414 -3.395 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.170 -3.168 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.722 -1.646 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.527 -2.662 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.899 -5.339 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.284 -4.919 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.984 -5.404 -4.124 1.00 0.00 H new ATOM 814 N LEU A 75 8.099 -0.020 -2.746 1.00 0.00 N ATOM 815 CA LEU A 75 8.949 0.269 -1.597 1.00 0.00 C ATOM 816 C LEU A 75 8.462 -0.476 -0.357 1.00 0.00 C ATOM 817 O LEU A 75 7.331 -0.286 0.088 1.00 0.00 O ATOM 818 CB LEU A 75 8.976 1.774 -1.323 1.00 0.00 C ATOM 819 CG LEU A 75 9.877 2.232 -0.176 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.331 2.256 -0.616 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.446 3.602 0.327 1.00 0.00 C ATOM 0 H LEU A 75 7.362 0.666 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 75 9.958 -0.070 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.294 2.283 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.958 2.103 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 75 9.779 1.520 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.957 2.584 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.634 1.256 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.447 2.945 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.099 3.912 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.513 4.325 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.417 3.551 0.684 1.00 0.00 H new ATOM 833 N MET A 76 9.326 -1.322 0.194 1.00 0.00 N ATOM 834 CA MET A 76 8.985 -2.093 1.385 1.00 0.00 C ATOM 835 C MET A 76 9.977 -1.823 2.510 1.00 0.00 C ATOM 836 O MET A 76 11.050 -2.424 2.582 1.00 0.00 O ATOM 837 CB MET A 76 8.958 -3.588 1.060 1.00 0.00 C ATOM 838 CG MET A 76 7.827 -3.986 0.125 1.00 0.00 C ATOM 839 SD MET A 76 7.567 -5.769 0.072 1.00 0.00 S ATOM 840 CE MET A 76 6.723 -6.036 1.629 1.00 0.00 C ATOM 0 H MET A 76 10.266 -1.491 -0.164 1.00 0.00 H new ATOM 0 HA MET A 76 7.994 -1.783 1.717 1.00 0.00 H new ATOM 0 HB2 MET A 76 9.909 -3.870 0.608 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.867 -4.152 1.988 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.907 -3.498 0.445 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.047 -3.624 -0.880 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.306 -6.719 2.247 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.609 -5.085 2.149 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.740 -6.467 1.441 1.00 0.00 H new ATOM 850 N PRO A 77 9.616 -0.899 3.412 1.00 0.00 N ATOM 851 CA PRO A 77 10.461 -0.528 4.550 1.00 0.00 C ATOM 852 C PRO A 77 10.557 -1.642 5.587 1.00 0.00 C ATOM 853 O PRO A 77 9.565 -2.278 5.945 1.00 0.00 O ATOM 854 CB PRO A 77 9.748 0.691 5.140 1.00 0.00 C ATOM 855 CG PRO A 77 8.325 0.532 4.733 1.00 0.00 C ATOM 856 CD PRO A 77 8.351 -0.143 3.389 1.00 0.00 C ATOM 0 HA PRO A 77 11.489 -0.331 4.247 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.848 0.721 6.225 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.168 1.620 4.755 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.776 -0.067 5.460 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.826 1.499 4.674 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.492 -0.800 3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.330 0.581 2.575 1.00 0.00 H new ATOM 864 N PRO A 78 11.779 -1.887 6.083 1.00 0.00 N ATOM 865 CA PRO A 78 12.034 -2.925 7.086 1.00 0.00 C ATOM 866 C PRO A 78 11.446 -2.571 8.448 1.00 0.00 C ATOM 867 O PRO A 78 11.472 -1.414 8.864 1.00 0.00 O ATOM 868 CB PRO A 78 13.562 -2.979 7.161 1.00 0.00 C ATOM 869 CG PRO A 78 14.010 -1.627 6.724 1.00 0.00 C ATOM 870 CD PRO A 78 13.007 -1.169 5.702 1.00 0.00 C ATOM 0 HA PRO A 78 11.573 -3.875 6.815 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.901 -3.201 8.173 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.963 -3.758 6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.050 -0.938 7.567 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.012 -1.667 6.297 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.867 -0.089 5.733 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.322 -1.421 4.689 1.00 0.00 H new ATOM 878 N ASN A 79 10.916 -3.576 9.137 1.00 0.00 N ATOM 879 CA ASN A 79 10.320 -3.370 10.453 1.00 0.00 C ATOM 880 C ASN A 79 9.166 -2.375 10.378 1.00 0.00 C ATOM 881 O ASN A 79 8.971 -1.563 11.283 1.00 0.00 O ATOM 882 CB ASN A 79 11.376 -2.869 11.441 1.00 0.00 C ATOM 883 CG ASN A 79 12.348 -3.960 11.850 1.00 0.00 C ATOM 884 OD1 ASN A 79 13.393 -4.140 11.226 1.00 0.00 O ATOM 885 ND2 ASN A 79 12.006 -4.693 12.903 1.00 0.00 N ATOM 0 H ASN A 79 10.887 -4.541 8.807 1.00 0.00 H new ATOM 0 HA ASN A 79 9.930 -4.326 10.801 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.928 -2.044 10.991 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.881 -2.475 12.329 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.620 -5.441 13.225 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.129 -4.508 13.390 1.00 0.00 H new ATOM 892 N LYS A 80 8.402 -2.444 9.293 1.00 0.00 N ATOM 893 CA LYS A 80 7.265 -1.552 9.100 1.00 0.00 C ATOM 894 C LYS A 80 6.056 -2.318 8.571 1.00 0.00 C ATOM 895 O LYS A 80 6.106 -2.953 7.517 1.00 0.00 O ATOM 896 CB LYS A 80 7.633 -0.427 8.130 1.00 0.00 C ATOM 897 CG LYS A 80 8.563 0.613 8.730 1.00 0.00 C ATOM 898 CD LYS A 80 8.008 1.177 10.026 1.00 0.00 C ATOM 899 CE LYS A 80 8.688 2.484 10.403 1.00 0.00 C ATOM 900 NZ LYS A 80 7.822 3.331 11.269 1.00 0.00 N ATOM 0 H LYS A 80 8.550 -3.109 8.534 1.00 0.00 H new ATOM 0 HA LYS A 80 7.005 -1.120 10.067 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.106 -0.859 7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.720 0.065 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.539 0.165 8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.714 1.422 8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.935 1.341 9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.144 0.451 10.827 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.622 2.271 10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.945 3.034 9.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.416 3.968 11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.181 3.894 10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.263 2.723 11.901 1.00 0.00 H new ATOM 914 N PRO A 81 4.944 -2.258 9.317 1.00 0.00 N ATOM 915 CA PRO A 81 3.701 -2.938 8.942 1.00 0.00 C ATOM 916 C PRO A 81 3.036 -2.303 7.725 1.00 0.00 C ATOM 917 O PRO A 81 2.004 -2.778 7.250 1.00 0.00 O ATOM 918 CB PRO A 81 2.817 -2.772 10.181 1.00 0.00 C ATOM 919 CG PRO A 81 3.334 -1.547 10.853 1.00 0.00 C ATOM 920 CD PRO A 81 4.814 -1.520 10.585 1.00 0.00 C ATOM 0 HA PRO A 81 3.875 -3.977 8.661 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.768 -2.660 9.907 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.885 -3.641 10.835 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.850 -0.653 10.460 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.132 -1.575 11.924 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.188 -0.500 10.497 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.377 -1.997 11.387 1.00 0.00 H new ATOM 928 N TYR A 82 3.634 -1.228 7.225 1.00 0.00 N ATOM 929 CA TYR A 82 3.099 -0.525 6.065 1.00 0.00 C ATOM 930 C TYR A 82 4.149 -0.412 4.964 1.00 0.00 C ATOM 931 O TYR A 82 5.350 -0.430 5.233 1.00 0.00 O ATOM 932 CB TYR A 82 2.612 0.868 6.465 1.00 0.00 C ATOM 933 CG TYR A 82 3.708 1.762 7.000 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.598 2.392 6.138 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.854 1.976 8.364 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.601 3.211 6.622 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.853 2.794 8.856 1.00 0.00 C ATOM 938 CZ TYR A 82 5.725 3.407 7.981 1.00 0.00 C ATOM 939 OH TYR A 82 6.722 4.220 8.467 1.00 0.00 O ATOM 0 H TYR A 82 4.490 -0.824 7.605 1.00 0.00 H new ATOM 0 HA TYR A 82 2.256 -1.100 5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.155 1.346 5.599 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.834 0.768 7.222 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.504 2.239 5.073 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.175 1.495 9.052 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.284 3.695 5.939 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.950 2.952 9.920 1.00 0.00 H new ATOM 0 HH TYR A 82 6.339 4.867 9.096 1.00 0.00 H new ATOM 949 N SER A 83 3.686 -0.297 3.723 1.00 0.00 N ATOM 950 CA SER A 83 4.585 -0.184 2.580 1.00 0.00 C ATOM 951 C SER A 83 4.081 0.866 1.595 1.00 0.00 C ATOM 952 O SER A 83 3.044 1.492 1.814 1.00 0.00 O ATOM 953 CB SER A 83 4.722 -1.536 1.877 1.00 0.00 C ATOM 954 OG SER A 83 5.356 -2.486 2.716 1.00 0.00 O ATOM 0 H SER A 83 2.695 -0.280 3.484 1.00 0.00 H new ATOM 0 HA SER A 83 5.563 0.127 2.947 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.736 -1.901 1.589 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.298 -1.415 0.959 1.00 0.00 H new ATOM 0 HG SER A 83 5.444 -3.337 2.238 1.00 0.00 H new ATOM 960 N PHE A 84 4.823 1.054 0.509 1.00 0.00 N ATOM 961 CA PHE A 84 4.454 2.028 -0.511 1.00 0.00 C ATOM 962 C PHE A 84 4.651 1.453 -1.910 1.00 0.00 C ATOM 963 O PHE A 84 5.719 0.935 -2.235 1.00 0.00 O ATOM 964 CB PHE A 84 5.282 3.305 -0.351 1.00 0.00 C ATOM 965 CG PHE A 84 5.240 3.876 1.038 1.00 0.00 C ATOM 966 CD1 PHE A 84 4.132 4.581 1.478 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.310 3.708 1.902 1.00 0.00 C ATOM 968 CE1 PHE A 84 4.090 5.108 2.756 1.00 0.00 C ATOM 969 CE2 PHE A 84 6.273 4.231 3.182 1.00 0.00 C ATOM 970 CZ PHE A 84 5.163 4.934 3.607 1.00 0.00 C ATOM 0 H PHE A 84 5.684 0.544 0.313 1.00 0.00 H new ATOM 0 HA PHE A 84 3.399 2.269 -0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.318 3.093 -0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.919 4.054 -1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.291 4.721 0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.182 3.163 1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.220 5.655 3.088 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.111 4.090 3.848 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.134 5.347 4.604 1.00 0.00 H new ATOM 980 N ALA A 85 3.613 1.548 -2.735 1.00 0.00 N ATOM 981 CA ALA A 85 3.672 1.037 -4.099 1.00 0.00 C ATOM 982 C ALA A 85 3.549 2.169 -5.113 1.00 0.00 C ATOM 983 O ALA A 85 2.955 3.210 -4.827 1.00 0.00 O ATOM 984 CB ALA A 85 2.579 0.004 -4.324 1.00 0.00 C ATOM 0 H ALA A 85 2.721 1.974 -2.482 1.00 0.00 H new ATOM 0 HA ALA A 85 4.642 0.559 -4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.635 -0.369 -5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.712 -0.824 -3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.605 0.463 -4.159 1.00 0.00 H new ATOM 990 N ARG A 86 4.114 1.961 -6.298 1.00 0.00 N ATOM 991 CA ARG A 86 4.068 2.965 -7.354 1.00 0.00 C ATOM 992 C ARG A 86 3.567 2.357 -8.661 1.00 0.00 C ATOM 993 O ARG A 86 4.253 1.545 -9.283 1.00 0.00 O ATOM 994 CB ARG A 86 5.454 3.579 -7.562 1.00 0.00 C ATOM 995 CG ARG A 86 5.414 5.015 -8.062 1.00 0.00 C ATOM 996 CD ARG A 86 6.667 5.778 -7.661 1.00 0.00 C ATOM 997 NE ARG A 86 7.745 5.608 -8.632 1.00 0.00 N ATOM 998 CZ ARG A 86 8.865 6.321 -8.618 1.00 0.00 C ATOM 999 NH1 ARG A 86 9.054 7.247 -7.689 1.00 0.00 N ATOM 1000 NH2 ARG A 86 9.800 6.108 -9.536 1.00 0.00 N ATOM 0 H ARG A 86 4.609 1.106 -6.551 1.00 0.00 H new ATOM 0 HA ARG A 86 3.373 3.747 -7.048 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.002 3.546 -6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.009 2.970 -8.275 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.314 5.021 -9.147 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.535 5.518 -7.658 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.431 6.838 -7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.003 5.435 -6.682 1.00 0.00 H new ATOM 0 HE ARG A 86 7.631 4.903 -9.360 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.338 7.414 -6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.916 7.793 -7.681 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.658 5.396 -10.253 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.660 6.656 -9.525 1.00 0.00 H new ATOM 1014 N TYR A 87 2.368 2.756 -9.071 1.00 0.00 N ATOM 1015 CA TYR A 87 1.774 2.248 -10.302 1.00 0.00 C ATOM 1016 C TYR A 87 2.227 3.070 -11.504 1.00 0.00 C ATOM 1017 O TYR A 87 2.445 4.278 -11.399 1.00 0.00 O ATOM 1018 CB TYR A 87 0.248 2.267 -10.203 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.323 1.103 -9.424 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.485 1.176 -8.046 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.699 -0.070 -10.066 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -1.005 0.116 -7.331 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -1.222 -1.135 -9.358 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.372 -1.038 -7.991 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.891 -2.097 -7.283 1.00 0.00 O ATOM 0 H TYR A 87 1.789 3.429 -8.569 1.00 0.00 H new ATOM 0 HA TYR A 87 2.109 1.220 -10.440 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.065 3.198 -9.731 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.173 2.262 -11.208 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.199 2.078 -7.525 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.581 -0.151 -11.136 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.124 0.190 -6.260 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.512 -2.039 -9.873 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.158 -2.806 -7.904 1.00 0.00 H new ATOM 1035 N ARG A 88 2.365 2.407 -12.647 1.00 0.00 N ATOM 1036 CA ARG A 88 2.792 3.075 -13.872 1.00 0.00 C ATOM 1037 C ARG A 88 1.822 4.192 -14.248 1.00 0.00 C ATOM 1038 O ARG A 88 2.227 5.230 -14.773 1.00 0.00 O ATOM 1039 CB ARG A 88 2.897 2.068 -15.018 1.00 0.00 C ATOM 1040 CG ARG A 88 3.676 2.587 -16.216 1.00 0.00 C ATOM 1041 CD ARG A 88 2.772 3.320 -17.194 1.00 0.00 C ATOM 1042 NE ARG A 88 3.484 3.719 -18.405 1.00 0.00 N ATOM 1043 CZ ARG A 88 4.364 4.712 -18.446 1.00 0.00 C ATOM 1044 NH1 ARG A 88 4.640 5.405 -17.349 1.00 0.00 N ATOM 1045 NH2 ARG A 88 4.972 5.015 -19.586 1.00 0.00 N ATOM 0 H ARG A 88 2.188 1.408 -12.751 1.00 0.00 H new ATOM 0 HA ARG A 88 3.774 3.514 -13.694 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.375 1.160 -14.650 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.893 1.791 -15.340 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.465 3.258 -15.875 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.163 1.754 -16.723 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.932 2.679 -17.462 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.356 4.204 -16.710 1.00 0.00 H new ATOM 0 HE ARG A 88 3.295 3.207 -19.266 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.176 5.175 -16.470 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.317 6.167 -17.384 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.763 4.485 -20.432 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.648 5.778 -19.616 1.00 0.00 H new ATOM 1059 N THR A 89 0.540 3.972 -13.976 1.00 0.00 N ATOM 1060 CA THR A 89 -0.488 4.957 -14.288 1.00 0.00 C ATOM 1061 C THR A 89 -1.570 4.981 -13.215 1.00 0.00 C ATOM 1062 O THR A 89 -2.118 3.941 -12.846 1.00 0.00 O ATOM 1063 CB THR A 89 -1.142 4.675 -15.654 1.00 0.00 C ATOM 1064 OG1 THR A 89 -2.030 3.557 -15.550 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.085 4.391 -16.711 1.00 0.00 C ATOM 0 H THR A 89 0.188 3.120 -13.540 1.00 0.00 H new ATOM 0 HA THR A 89 0.006 5.928 -14.324 1.00 0.00 H new ATOM 0 HB THR A 89 -1.705 5.560 -15.952 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.443 3.385 -16.422 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.570 4.195 -17.667 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.573 5.254 -16.808 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.500 3.520 -16.416 1.00 0.00 H new ATOM 1073 N THR A 90 -1.876 6.174 -12.716 1.00 0.00 N ATOM 1074 CA THR A 90 -2.893 6.334 -11.684 1.00 0.00 C ATOM 1075 C THR A 90 -4.023 5.326 -11.866 1.00 0.00 C ATOM 1076 O THR A 90 -4.341 4.567 -10.951 1.00 0.00 O ATOM 1077 CB THR A 90 -3.484 7.757 -11.692 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.484 8.700 -12.093 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.017 8.130 -10.317 1.00 0.00 C ATOM 0 H THR A 90 -1.434 7.045 -13.010 1.00 0.00 H new ATOM 0 HA THR A 90 -2.402 6.158 -10.727 1.00 0.00 H new ATOM 0 HB THR A 90 -4.310 7.779 -12.403 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.868 9.602 -12.097 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.429 9.139 -10.348 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.798 7.428 -10.027 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.206 8.091 -9.590 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.624 5.326 -13.051 1.00 0.00 N ATOM 1088 CA GLU A 91 -5.720 4.410 -13.350 1.00 0.00 C ATOM 1089 C GLU A 91 -5.515 3.070 -12.650 1.00 0.00 C ATOM 1090 O GLU A 91 -6.379 2.610 -11.904 1.00 0.00 O ATOM 1091 CB GLU A 91 -5.837 4.197 -14.861 1.00 0.00 C ATOM 1092 CG GLU A 91 -6.079 5.479 -15.640 1.00 0.00 C ATOM 1093 CD GLU A 91 -7.518 5.947 -15.560 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -8.402 5.106 -15.296 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -7.760 7.156 -15.761 1.00 0.00 O ATOM 0 H GLU A 91 -4.372 5.948 -13.819 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.644 4.855 -12.980 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.923 3.728 -15.225 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.653 3.502 -15.059 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.424 6.262 -15.257 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.810 5.321 -16.684 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.366 2.449 -12.897 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.048 1.161 -12.293 1.00 0.00 C ATOM 1104 C GLU A 92 -4.067 1.256 -10.770 1.00 0.00 C ATOM 1105 O GLU A 92 -4.623 0.394 -10.089 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.679 0.673 -12.767 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.640 0.308 -14.242 1.00 0.00 C ATOM 1108 CD GLU A 92 -3.967 -0.227 -14.745 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -4.185 -1.453 -14.656 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -4.787 0.581 -15.228 1.00 0.00 O ATOM 0 H GLU A 92 -3.640 2.817 -13.511 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.808 0.445 -12.606 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.939 1.450 -12.574 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.389 -0.197 -12.178 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.363 1.188 -14.823 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.865 -0.440 -14.407 1.00 0.00 H new ATOM 1117 N SER A 93 -3.454 2.311 -10.241 1.00 0.00 N ATOM 1118 CA SER A 93 -3.396 2.518 -8.798 1.00 0.00 C ATOM 1119 C SER A 93 -4.797 2.514 -8.193 1.00 0.00 C ATOM 1120 O SER A 93 -5.074 1.781 -7.244 1.00 0.00 O ATOM 1121 CB SER A 93 -2.693 3.838 -8.479 1.00 0.00 C ATOM 1122 OG SER A 93 -3.139 4.368 -7.243 1.00 0.00 O ATOM 0 H SER A 93 -2.991 3.035 -10.790 1.00 0.00 H new ATOM 0 HA SER A 93 -2.828 1.698 -8.360 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.615 3.680 -8.443 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.883 4.557 -9.276 1.00 0.00 H new ATOM 0 HG SER A 93 -2.626 5.175 -7.029 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.675 3.341 -8.747 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.049 3.435 -8.265 1.00 0.00 C ATOM 1130 C LYS A 94 -7.723 2.067 -8.272 1.00 0.00 C ATOM 1131 O LYS A 94 -8.374 1.680 -7.302 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.848 4.415 -9.126 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.449 5.866 -8.927 1.00 0.00 C ATOM 1134 CD LYS A 94 -7.914 6.737 -10.082 1.00 0.00 C ATOM 1135 CE LYS A 94 -6.918 6.717 -11.231 1.00 0.00 C ATOM 1136 NZ LYS A 94 -7.586 6.902 -12.548 1.00 0.00 N ATOM 0 H LYS A 94 -5.461 3.957 -9.531 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.023 3.802 -7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.718 4.152 -10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.908 4.304 -8.898 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.876 6.237 -7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.366 5.936 -8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.885 6.388 -10.434 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.050 7.761 -9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.179 7.505 -11.085 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.379 5.770 -11.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.866 7.001 -13.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.184 6.076 -12.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.176 7.758 -12.521 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.562 1.340 -9.372 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.155 0.014 -9.506 1.00 0.00 C ATOM 1152 C ARG A 95 -7.785 -0.870 -8.318 1.00 0.00 C ATOM 1153 O ARG A 95 -8.629 -1.582 -7.775 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.697 -0.644 -10.808 1.00 0.00 C ATOM 1155 CG ARG A 95 -7.943 -2.144 -10.852 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.169 -2.803 -11.983 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.932 -2.823 -13.228 1.00 0.00 N ATOM 1158 CZ ARG A 95 -9.009 -3.576 -13.418 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -9.449 -4.367 -12.449 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -9.650 -3.539 -14.579 1.00 0.00 N ATOM 0 H ARG A 95 -7.026 1.646 -10.184 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.239 0.129 -9.527 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.215 -0.175 -11.644 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.632 -0.455 -10.946 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.650 -2.590 -9.901 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.009 -2.335 -10.979 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.232 -2.269 -12.140 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.911 -3.823 -11.699 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.620 -2.226 -13.994 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.960 -4.398 -11.554 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.277 -4.944 -12.598 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.316 -2.932 -15.327 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.477 -4.118 -14.724 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.518 -0.817 -7.920 1.00 0.00 N ATOM 1175 CA ALA A 96 -6.036 -1.611 -6.797 1.00 0.00 C ATOM 1176 C ALA A 96 -6.491 -1.016 -5.469 1.00 0.00 C ATOM 1177 O ALA A 96 -6.778 -1.742 -4.517 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.519 -1.717 -6.838 1.00 0.00 C ATOM 0 H ALA A 96 -5.807 -0.232 -8.359 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.461 -2.611 -6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.173 -2.313 -5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.213 -2.195 -7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.083 -0.720 -6.781 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.555 0.310 -5.411 1.00 0.00 N ATOM 1185 CA TYR A 97 -6.973 1.004 -4.199 1.00 0.00 C ATOM 1186 C TYR A 97 -8.414 0.653 -3.839 1.00 0.00 C ATOM 1187 O TYR A 97 -8.761 0.536 -2.664 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.834 2.517 -4.377 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.659 3.320 -3.398 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.241 3.491 -2.084 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.856 3.909 -3.787 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.992 4.225 -1.186 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.613 4.645 -2.896 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.177 4.799 -1.597 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.927 5.531 -0.705 1.00 0.00 O ATOM 0 H TYR A 97 -6.322 0.926 -6.190 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.325 0.680 -3.385 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.785 2.792 -4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.129 2.784 -5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.314 3.043 -1.759 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.201 3.789 -4.804 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.653 4.349 -0.168 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.541 5.097 -3.215 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.731 5.868 -1.153 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.247 0.484 -4.861 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.650 0.145 -4.654 1.00 0.00 C ATOM 1207 C VAL A 98 -10.850 -1.366 -4.620 1.00 0.00 C ATOM 1208 O VAL A 98 -11.868 -1.858 -4.131 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.541 0.746 -5.757 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -13.008 0.665 -5.364 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.136 2.184 -6.045 1.00 0.00 C ATOM 0 H VAL A 98 -8.975 0.576 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.940 0.569 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.402 0.164 -6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.621 1.095 -6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.287 -0.378 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.168 1.220 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.776 2.593 -6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.244 2.781 -5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.098 2.210 -6.376 1.00 0.00 H new ATOM 1221 N THR A 99 -9.873 -2.099 -5.145 1.00 0.00 N ATOM 1222 CA THR A 99 -9.943 -3.554 -5.176 1.00 0.00 C ATOM 1223 C THR A 99 -9.180 -4.166 -4.006 1.00 0.00 C ATOM 1224 O THR A 99 -9.766 -4.825 -3.146 1.00 0.00 O ATOM 1225 CB THR A 99 -9.374 -4.116 -6.493 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.167 -3.669 -7.599 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.346 -5.637 -6.466 1.00 0.00 C ATOM 0 H THR A 99 -9.024 -1.709 -5.554 1.00 0.00 H new ATOM 0 HA THR A 99 -10.997 -3.821 -5.100 1.00 0.00 H new ATOM 0 HB THR A 99 -8.353 -3.752 -6.606 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.942 -2.738 -7.808 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.940 -6.010 -7.406 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.719 -5.975 -5.641 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.359 -6.017 -6.331 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.871 -3.943 -3.977 1.00 0.00 N ATOM 1236 CA LEU A 100 -7.027 -4.472 -2.911 1.00 0.00 C ATOM 1237 C LEU A 100 -7.532 -4.023 -1.544 1.00 0.00 C ATOM 1238 O LEU A 100 -7.729 -4.840 -0.646 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.580 -4.019 -3.107 1.00 0.00 C ATOM 1240 CG LEU A 100 -5.013 -4.171 -4.519 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.519 -3.889 -4.529 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.297 -5.565 -5.060 1.00 0.00 C ATOM 0 H LEU A 100 -7.370 -3.399 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.069 -5.560 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.507 -2.970 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.948 -4.583 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.503 -3.444 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.134 -4.002 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.339 -2.871 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.012 -4.591 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.887 -5.656 -6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.834 -6.308 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.374 -5.731 -5.091 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.741 -2.719 -1.396 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.225 -2.161 -0.138 1.00 0.00 C ATOM 1256 C ASN A 101 -9.329 -3.032 0.454 1.00 0.00 C ATOM 1257 O ASN A 101 -10.505 -2.870 0.130 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.745 -0.738 -0.354 1.00 0.00 C ATOM 1259 CG ASN A 101 -9.260 -0.110 0.927 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.970 -0.749 1.703 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.903 1.149 1.153 1.00 0.00 N ATOM 0 H ASN A 101 -7.583 -2.029 -2.131 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.391 -2.134 0.563 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.945 -0.120 -0.763 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.545 -0.755 -1.094 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -9.219 1.625 1.998 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.313 1.640 0.482 1.00 0.00 H new ATOM 1268 N GLY A 102 -8.941 -3.957 1.327 1.00 0.00 N ATOM 1269 CA GLY A 102 -9.909 -4.839 1.952 1.00 0.00 C ATOM 1270 C GLY A 102 -9.865 -6.244 1.383 1.00 0.00 C ATOM 1271 O GLY A 102 -10.836 -6.994 1.483 1.00 0.00 O ATOM 0 H GLY A 102 -7.974 -4.111 1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.720 -4.879 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.910 -4.428 1.819 1.00 0.00 H new ATOM 1275 N LYS A 103 -8.736 -6.601 0.780 1.00 0.00 N ATOM 1276 CA LYS A 103 -8.568 -7.925 0.192 1.00 0.00 C ATOM 1277 C LYS A 103 -7.998 -8.906 1.212 1.00 0.00 C ATOM 1278 O LYS A 103 -7.461 -8.501 2.241 1.00 0.00 O ATOM 1279 CB LYS A 103 -7.647 -7.850 -1.029 1.00 0.00 C ATOM 1280 CG LYS A 103 -7.974 -8.874 -2.101 1.00 0.00 C ATOM 1281 CD LYS A 103 -6.907 -8.908 -3.183 1.00 0.00 C ATOM 1282 CE LYS A 103 -5.830 -9.935 -2.871 1.00 0.00 C ATOM 1283 NZ LYS A 103 -6.388 -11.313 -2.776 1.00 0.00 N ATOM 0 H LYS A 103 -7.923 -5.992 0.686 1.00 0.00 H new ATOM 0 HA LYS A 103 -9.549 -8.283 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.711 -6.851 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.616 -7.992 -0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.065 -9.861 -1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -8.940 -8.638 -2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.368 -9.142 -4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.454 -7.921 -3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.065 -9.906 -3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.342 -9.675 -1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.389 -11.619 -1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.362 -11.319 -3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.803 -11.964 -3.338 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.120 -10.197 0.916 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.616 -11.235 1.808 1.00 0.00 C ATOM 1299 C GLU A 104 -6.408 -11.937 1.196 1.00 0.00 C ATOM 1300 O GLU A 104 -6.454 -12.395 0.054 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.715 -12.255 2.111 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.548 -11.908 3.333 1.00 0.00 C ATOM 1303 CD GLU A 104 -10.460 -13.042 3.759 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -9.998 -13.921 4.517 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -11.634 -13.051 3.335 1.00 0.00 O ATOM 0 H GLU A 104 -8.563 -10.548 0.067 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.305 -10.761 2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.372 -12.336 1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.259 -13.234 2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.885 -11.650 4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.149 -11.024 3.119 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.327 -12.020 1.965 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.106 -12.668 1.501 1.00 0.00 C ATOM 1314 C VAL A 105 -3.478 -13.512 2.603 1.00 0.00 C ATOM 1315 O VAL A 105 -3.325 -13.057 3.737 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.075 -11.635 1.009 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -3.721 -10.652 0.045 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -2.449 -10.904 2.188 1.00 0.00 C ATOM 0 H VAL A 105 -5.272 -11.646 2.913 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.387 -13.314 0.669 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.284 -12.163 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.977 -9.930 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.117 -11.192 -0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.533 -10.128 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.723 -10.178 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.227 -10.388 2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.948 -11.622 2.837 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.115 -14.745 2.263 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.501 -15.653 3.225 1.00 0.00 C ATOM 1330 C VAL A 106 -1.079 -15.218 3.562 1.00 0.00 C ATOM 1331 O VAL A 106 -0.175 -15.317 2.732 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.472 -17.098 2.692 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.498 -17.945 3.498 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -3.866 -17.704 2.718 1.00 0.00 C ATOM 0 H VAL A 106 -3.235 -15.138 1.329 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.111 -15.618 4.128 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.129 -17.078 1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.491 -18.962 3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.497 -17.520 3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.807 -17.960 4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.826 -18.725 2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.240 -17.712 3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.533 -17.110 2.093 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.887 -14.737 4.785 1.00 0.00 N ATOM 1345 CA ASP A 107 0.426 -14.288 5.233 1.00 0.00 C ATOM 1346 C ASP A 107 1.357 -15.474 5.462 1.00 0.00 C ATOM 1347 O ASP A 107 0.966 -16.628 5.280 1.00 0.00 O ATOM 1348 CB ASP A 107 0.298 -13.469 6.518 1.00 0.00 C ATOM 1349 CG ASP A 107 0.341 -14.335 7.763 1.00 0.00 C ATOM 1350 OD1 ASP A 107 -0.480 -15.270 7.864 1.00 0.00 O ATOM 1351 OD2 ASP A 107 1.196 -14.076 8.636 1.00 0.00 O ATOM 0 H ASP A 107 -1.624 -14.648 5.484 1.00 0.00 H new ATOM 0 HA ASP A 107 0.853 -13.659 4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.104 -12.736 6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.639 -12.912 6.499 1.00 0.00 H new ATOM 1356 N ASP A 108 2.590 -15.184 5.861 1.00 0.00 N ATOM 1357 CA ASP A 108 3.577 -16.226 6.115 1.00 0.00 C ATOM 1358 C ASP A 108 3.045 -17.246 7.118 1.00 0.00 C ATOM 1359 O ASP A 108 3.236 -18.452 6.953 1.00 0.00 O ATOM 1360 CB ASP A 108 4.878 -15.612 6.636 1.00 0.00 C ATOM 1361 CG ASP A 108 6.068 -16.532 6.449 1.00 0.00 C ATOM 1362 OD1 ASP A 108 6.367 -16.889 5.290 1.00 0.00 O ATOM 1363 OD2 ASP A 108 6.702 -16.893 7.462 1.00 0.00 O ATOM 0 H ASP A 108 2.930 -14.235 6.016 1.00 0.00 H new ATOM 0 HA ASP A 108 3.778 -16.738 5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.065 -14.671 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 108 4.767 -15.377 7.695 1.00 0.00 H new ATOM 1368 N LEU A 109 2.380 -16.755 8.156 1.00 0.00 N ATOM 1369 CA LEU A 109 1.820 -17.623 9.187 1.00 0.00 C ATOM 1370 C LEU A 109 0.797 -18.585 8.592 1.00 0.00 C ATOM 1371 O LEU A 109 0.625 -19.702 9.078 1.00 0.00 O ATOM 1372 CB LEU A 109 1.169 -16.785 10.289 1.00 0.00 C ATOM 1373 CG LEU A 109 2.071 -15.757 10.972 1.00 0.00 C ATOM 1374 CD1 LEU A 109 1.296 -14.985 12.029 1.00 0.00 C ATOM 1375 CD2 LEU A 109 3.285 -16.436 11.587 1.00 0.00 C ATOM 0 H LEU A 109 2.215 -15.760 8.307 1.00 0.00 H new ATOM 0 HA LEU A 109 2.634 -18.207 9.617 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.314 -16.261 9.862 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.781 -17.461 11.051 1.00 0.00 H new ATOM 0 HG LEU A 109 2.419 -15.051 10.218 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.954 -14.258 12.504 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.460 -14.466 11.560 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.917 -15.678 12.781 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.915 -15.688 12.068 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.958 -17.166 12.327 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.854 -16.941 10.806 1.00 0.00 H new ATOM 1387 N GLY A 110 0.122 -18.144 7.534 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.874 -18.979 6.890 1.00 0.00 C ATOM 1389 C GLY A 110 -2.288 -18.492 7.137 1.00 0.00 C ATOM 1390 O GLY A 110 -3.251 -19.220 6.903 1.00 0.00 O ATOM 0 H GLY A 110 0.248 -17.224 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.684 -19.004 5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.777 -20.002 7.254 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.411 -17.257 7.612 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.718 -16.674 7.894 1.00 0.00 C ATOM 1396 C GLN A 111 -4.024 -15.532 6.931 1.00 0.00 C ATOM 1397 O GLN A 111 -3.176 -14.678 6.675 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.775 -16.170 9.337 1.00 0.00 C ATOM 1399 CG GLN A 111 -3.335 -17.205 10.361 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.801 -16.872 11.764 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -2.993 -16.582 12.647 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -5.111 -16.912 11.978 1.00 0.00 N ATOM 0 H GLN A 111 -1.622 -16.641 7.810 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.471 -17.450 7.758 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -3.142 -15.287 9.430 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.794 -15.857 9.564 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.725 -18.182 10.075 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -2.248 -17.280 10.352 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -5.745 -17.157 11.217 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -5.483 -16.697 12.903 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.242 -15.523 6.400 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.662 -14.485 5.465 1.00 0.00 C ATOM 1413 C LYS A 112 -5.867 -13.156 6.185 1.00 0.00 C ATOM 1414 O LYS A 112 -6.798 -13.006 6.977 1.00 0.00 O ATOM 1415 CB LYS A 112 -6.953 -14.899 4.757 1.00 0.00 C ATOM 1416 CG LYS A 112 -6.791 -16.111 3.856 1.00 0.00 C ATOM 1417 CD LYS A 112 -7.921 -16.208 2.844 1.00 0.00 C ATOM 1418 CE LYS A 112 -7.926 -17.557 2.142 1.00 0.00 C ATOM 1419 NZ LYS A 112 -9.165 -17.762 1.344 1.00 0.00 N ATOM 0 H LYS A 112 -5.956 -16.223 6.601 1.00 0.00 H new ATOM 0 HA LYS A 112 -4.874 -14.358 4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.716 -15.113 5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.316 -14.061 4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.837 -16.052 3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.766 -17.016 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.876 -16.055 3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.819 -15.413 2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.057 -17.629 1.488 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.835 -18.352 2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.130 -18.693 0.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.993 -17.718 1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.239 -17.018 0.621 1.00 0.00 H new ATOM 1433 N ILE A 113 -4.993 -12.195 5.904 1.00 0.00 N ATOM 1434 CA ILE A 113 -5.082 -10.878 6.522 1.00 0.00 C ATOM 1435 C ILE A 113 -5.724 -9.868 5.576 1.00 0.00 C ATOM 1436 O ILE A 113 -5.780 -10.083 4.365 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.694 -10.360 6.943 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.899 -11.469 7.635 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.834 -9.151 7.857 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.570 -11.005 8.188 1.00 0.00 C ATOM 0 H ILE A 113 -4.216 -12.304 5.253 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.705 -10.987 7.409 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.151 -10.054 6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.497 -11.881 8.448 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.726 -12.278 6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.844 -8.797 8.146 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.365 -8.357 7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.393 -9.432 8.749 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.061 -11.843 8.664 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.953 -10.620 7.376 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.737 -10.217 8.922 1.00 0.00 H new ATOM 1452 N THR A 114 -6.207 -8.764 6.138 1.00 0.00 N ATOM 1453 CA THR A 114 -6.846 -7.720 5.347 1.00 0.00 C ATOM 1454 C THR A 114 -5.918 -6.524 5.164 1.00 0.00 C ATOM 1455 O THR A 114 -5.706 -5.743 6.092 1.00 0.00 O ATOM 1456 CB THR A 114 -8.157 -7.244 5.998 1.00 0.00 C ATOM 1457 OG1 THR A 114 -8.848 -8.355 6.579 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.053 -6.563 4.974 1.00 0.00 C ATOM 0 H THR A 114 -6.168 -8.570 7.139 1.00 0.00 H new ATOM 0 HA THR A 114 -7.071 -8.154 4.373 1.00 0.00 H new ATOM 0 HB THR A 114 -7.909 -6.524 6.777 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.680 -8.043 6.992 1.00 0.00 H new ATOM 0 HG21 THR A 114 -9.974 -6.235 5.457 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.536 -5.700 4.555 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.292 -7.265 4.176 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.369 -6.385 3.962 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.464 -5.283 3.657 1.00 0.00 C ATOM 1468 C LEU A 115 -5.224 -4.105 3.058 1.00 0.00 C ATOM 1469 O LEU A 115 -5.982 -4.264 2.101 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.372 -5.746 2.690 1.00 0.00 C ATOM 1471 CG LEU A 115 -2.698 -7.075 3.027 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -1.734 -7.479 1.922 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -1.973 -6.983 4.362 1.00 0.00 C ATOM 0 H LEU A 115 -5.535 -7.022 3.183 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.001 -4.957 4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.806 -5.824 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.604 -4.974 2.643 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.469 -7.841 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.263 -8.428 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.280 -7.587 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.968 -6.712 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.499 -7.939 4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.212 -6.204 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -2.688 -6.740 5.148 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.014 -2.922 3.626 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.680 -1.716 3.148 1.00 0.00 C ATOM 1487 C TYR A 116 -4.761 -0.913 2.232 1.00 0.00 C ATOM 1488 O TYR A 116 -3.558 -1.169 2.161 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.124 -0.851 4.329 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.400 -1.329 4.984 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.640 -2.685 5.174 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -8.365 -0.426 5.412 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -8.805 -3.126 5.771 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -9.532 -0.858 6.012 1.00 0.00 C ATOM 1495 CZ TYR A 116 -9.748 -2.209 6.189 1.00 0.00 C ATOM 1496 OH TYR A 116 -10.909 -2.645 6.785 1.00 0.00 O ATOM 0 H TYR A 116 -4.388 -2.773 4.417 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.558 -2.018 2.577 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.328 -0.832 5.074 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.264 0.174 3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.904 -3.405 4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -8.200 0.632 5.273 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.977 -4.183 5.910 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -10.271 -0.142 6.341 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.465 -1.873 7.021 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.337 0.059 1.533 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.571 0.902 0.621 1.00 0.00 C ATOM 1508 C LEU A 117 -5.083 2.338 0.646 1.00 0.00 C ATOM 1509 O LEU A 117 -6.277 2.584 0.476 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.645 0.347 -0.802 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.713 -0.824 -1.116 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.294 -2.126 -0.588 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.462 -0.919 -2.615 1.00 0.00 C ATOM 0 H LEU A 117 -6.331 0.283 1.580 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.532 0.901 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.670 0.031 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.425 1.157 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.760 -0.648 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.617 -2.948 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.421 -2.056 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.261 -2.309 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.797 -1.758 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.409 -1.071 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.001 0.004 -2.966 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.173 3.283 0.857 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.533 4.695 0.903 1.00 0.00 C ATOM 1527 C ASN A 118 -3.752 5.489 -0.139 1.00 0.00 C ATOM 1528 O ASN A 118 -2.605 5.167 -0.451 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.269 5.265 2.298 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.472 5.136 3.213 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -6.227 6.090 3.403 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -5.656 3.952 3.784 1.00 0.00 N ATOM 0 H ASN A 118 -3.180 3.096 0.999 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.596 4.781 0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.420 4.748 2.744 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -3.993 6.316 2.212 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.449 3.805 4.409 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -5.005 3.189 3.598 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.381 6.530 -0.676 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.746 7.372 -1.684 1.00 0.00 C ATOM 1541 C PHE A 119 -2.732 8.316 -1.044 1.00 0.00 C ATOM 1542 O PHE A 119 -3.095 9.205 -0.274 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.801 8.177 -2.445 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.589 7.357 -3.427 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -4.945 6.620 -4.407 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -6.973 7.324 -3.368 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.667 5.864 -5.312 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.700 6.570 -4.270 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.046 5.840 -5.244 1.00 0.00 C ATOM 0 H PHE A 119 -5.330 6.811 -0.430 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.220 6.723 -2.384 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.487 8.630 -1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.311 8.993 -2.976 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.867 6.636 -4.465 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.489 7.893 -2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.153 5.293 -6.071 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.778 6.551 -4.214 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.612 5.252 -5.951 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.459 8.115 -1.368 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.392 8.948 -0.827 1.00 0.00 C ATOM 1561 C VAL A 120 0.301 9.739 -1.929 1.00 0.00 C ATOM 1562 O VAL A 120 0.342 9.310 -3.082 1.00 0.00 O ATOM 1563 CB VAL A 120 0.657 8.101 -0.080 1.00 0.00 C ATOM 1564 CG1 VAL A 120 0.015 7.356 1.079 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.337 7.133 -1.037 1.00 0.00 C ATOM 0 H VAL A 120 -1.141 7.382 -2.003 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.856 9.640 -0.125 1.00 0.00 H new ATOM 0 HB VAL A 120 1.417 8.769 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.771 6.764 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.421 8.072 1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.766 6.697 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.075 6.542 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.591 6.469 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.833 7.693 -1.830 1.00 0.00 H new ATOM 1575 N GLU A 121 0.844 10.897 -1.568 1.00 0.00 N ATOM 1576 CA GLU A 121 1.536 11.750 -2.528 1.00 0.00 C ATOM 1577 C GLU A 121 3.017 11.868 -2.183 1.00 0.00 C ATOM 1578 O GLU A 121 3.865 11.984 -3.069 1.00 0.00 O ATOM 1579 CB GLU A 121 0.897 13.140 -2.563 1.00 0.00 C ATOM 1580 CG GLU A 121 0.747 13.776 -1.191 1.00 0.00 C ATOM 1581 CD GLU A 121 0.422 15.255 -1.266 1.00 0.00 C ATOM 1582 OE1 GLU A 121 1.229 16.010 -1.850 1.00 0.00 O ATOM 1583 OE2 GLU A 121 -0.636 15.657 -0.742 1.00 0.00 O ATOM 0 H GLU A 121 0.818 11.266 -0.618 1.00 0.00 H new ATOM 0 HA GLU A 121 1.446 11.292 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.502 13.793 -3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.085 13.067 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -0.041 13.262 -0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.670 13.639 -0.628 1.00 0.00 H new ATOM 1590 N LYS A 122 3.321 11.837 -0.891 1.00 0.00 N ATOM 1591 CA LYS A 122 4.699 11.940 -0.426 1.00 0.00 C ATOM 1592 C LYS A 122 5.164 10.626 0.196 1.00 0.00 C ATOM 1593 O LYS A 122 4.519 10.094 1.100 1.00 0.00 O ATOM 1594 CB LYS A 122 4.833 13.074 0.593 1.00 0.00 C ATOM 1595 CG LYS A 122 4.711 14.459 -0.019 1.00 0.00 C ATOM 1596 CD LYS A 122 5.980 14.857 -0.755 1.00 0.00 C ATOM 1597 CE LYS A 122 7.000 15.476 0.189 1.00 0.00 C ATOM 1598 NZ LYS A 122 8.324 15.659 -0.469 1.00 0.00 N ATOM 0 H LYS A 122 2.631 11.741 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 122 5.330 12.158 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.066 12.956 1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.798 12.990 1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.867 14.480 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.500 15.187 0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.413 13.980 -1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.736 15.567 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.632 16.440 0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.115 14.840 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.992 16.083 0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 8.687 14.736 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 8.219 16.286 -1.292 1.00 0.00 H new ATOM 1612 N VAL A 123 6.286 10.108 -0.293 1.00 0.00 N ATOM 1613 CA VAL A 123 6.837 8.858 0.217 1.00 0.00 C ATOM 1614 C VAL A 123 8.361 8.881 0.195 1.00 0.00 C ATOM 1615 O VAL A 123 8.970 9.337 -0.772 1.00 0.00 O ATOM 1616 CB VAL A 123 6.340 7.652 -0.602 1.00 0.00 C ATOM 1617 CG1 VAL A 123 7.089 6.389 -0.199 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.840 7.470 -0.427 1.00 0.00 C ATOM 0 H VAL A 123 6.831 10.535 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 123 6.493 8.755 1.246 1.00 0.00 H new ATOM 0 HB VAL A 123 6.538 7.844 -1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.725 5.547 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 123 8.155 6.525 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.924 6.190 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.507 6.613 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.615 7.300 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.322 8.367 -0.768 1.00 0.00 H new ATOM 1628 N GLN A 124 8.970 8.385 1.267 1.00 0.00 N ATOM 1629 CA GLN A 124 10.424 8.348 1.371 1.00 0.00 C ATOM 1630 C GLN A 124 11.003 7.225 0.517 1.00 0.00 C ATOM 1631 O GLN A 124 11.458 6.207 1.039 1.00 0.00 O ATOM 1632 CB GLN A 124 10.848 8.167 2.829 1.00 0.00 C ATOM 1633 CG GLN A 124 10.384 9.289 3.742 1.00 0.00 C ATOM 1634 CD GLN A 124 11.324 10.479 3.728 1.00 0.00 C ATOM 1635 OE1 GLN A 124 11.432 11.187 2.727 1.00 0.00 O ATOM 1636 NE2 GLN A 124 12.009 10.705 4.843 1.00 0.00 N ATOM 0 H GLN A 124 8.479 8.003 2.076 1.00 0.00 H new ATOM 0 HA GLN A 124 10.813 9.297 1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 124 10.452 7.222 3.199 1.00 0.00 H new ATOM 0 HB3 GLN A 124 11.935 8.097 2.876 1.00 0.00 H new ATOM 0 HG2 GLN A 124 9.389 9.613 3.437 1.00 0.00 H new ATOM 0 HG3 GLN A 124 10.297 8.911 4.761 1.00 0.00 H new ATOM 0 HE21 GLN A 124 11.888 10.092 5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 124 12.656 11.492 4.893 1.00 0.00 H new ATOM 1645 N TRP A 125 10.980 7.416 -0.797 1.00 0.00 N ATOM 1646 CA TRP A 125 11.503 6.418 -1.724 1.00 0.00 C ATOM 1647 C TRP A 125 13.003 6.229 -1.532 1.00 0.00 C ATOM 1648 O TRP A 125 13.671 7.066 -0.924 1.00 0.00 O ATOM 1649 CB TRP A 125 11.208 6.828 -3.167 1.00 0.00 C ATOM 1650 CG TRP A 125 9.744 6.922 -3.471 1.00 0.00 C ATOM 1651 CD1 TRP A 125 9.016 8.063 -3.655 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.829 5.832 -3.625 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.704 7.748 -3.913 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.563 6.385 -3.902 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.956 4.441 -3.558 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.436 5.596 -4.109 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.835 3.660 -3.764 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.589 4.238 -4.037 1.00 0.00 C ATOM 0 H TRP A 125 10.605 8.252 -1.245 1.00 0.00 H new ATOM 0 HA TRP A 125 11.007 5.470 -1.515 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.676 7.792 -3.366 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.666 6.106 -3.843 1.00 0.00 H new ATOM 0 HD1 TRP A 125 9.414 9.066 -3.605 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.956 8.420 -4.085 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.913 3.986 -3.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.474 6.040 -4.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 7.921 2.585 -3.714 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.732 3.600 -4.194 1.00 0.00 H new