USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 834 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 79 THR OG1 : rot 66:sc= 0.252! USER MOD Set 1.2: A 80 HIS : no HD1:sc= -2.68! C(o=-2.4!,f=-18!) USER MOD Set 1.3: A 102 HIS :FLIP no HD1:sc= 0 F(o=-3.4,f=-2.4) USER MOD Set 2.1: A 47 TYR OH : rot -148:sc= -0.688 USER MOD Set 2.2: A 49 CYS SG : rot 170:sc= -1.18 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.724 USER MOD Single : A 25 ASN : amide:sc=-0.00922 K(o=-0.0092,f=-1.8) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 44 CYS SG : rot 36:sc= 1.05 USER MOD Single : A 52 SER OG : rot 32:sc=0.000905 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 137:sc= 0.701 (180deg=-1.12!) USER MOD Single : A 64 ASN : amide:sc= 0.0475 X(o=0.047,f=-0.0051) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0596 X(o=-0.06,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.691 X(o=-0.69,f=-0.39!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= 0.214 (180deg=0.173) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.0607 X(o=-0.061,f=-0.36) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 160:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.0026) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 45:sc= -2.88! USER MOD Single : A 114 SER OG : rot -170:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 118 MET CE :methyl -122:sc= 0 (180deg=-0.143) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= -0.448 USER MOD Single : A 126 HIS :FLIP no HD1:sc= -3.07 F(o=-3.9,f=-3.1) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 258 N PRO A 21 1.201 8.586 6.298 1.00 0.00 N ATOM 259 CA PRO A 21 1.335 7.583 5.255 1.00 0.00 C ATOM 260 C PRO A 21 0.609 6.292 5.639 1.00 0.00 C ATOM 261 O PRO A 21 1.219 5.224 5.688 1.00 0.00 O ATOM 262 CB PRO A 21 2.833 7.393 5.082 1.00 0.00 C ATOM 263 CG PRO A 21 3.472 7.947 6.345 1.00 0.00 C ATOM 264 CD PRO A 21 2.420 8.761 7.081 1.00 0.00 C ATOM 0 HA PRO A 21 0.875 7.889 4.316 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.080 6.340 4.949 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.194 7.919 4.198 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.837 7.136 6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.332 8.570 6.097 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.288 8.406 8.103 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.704 9.812 7.142 1.00 0.00 H new ATOM 272 N THR A 22 -0.682 6.432 5.902 1.00 0.00 N ATOM 273 CA THR A 22 -1.497 5.290 6.280 1.00 0.00 C ATOM 274 C THR A 22 -2.537 4.995 5.197 1.00 0.00 C ATOM 275 O THR A 22 -2.833 5.852 4.366 1.00 0.00 O ATOM 276 CB THR A 22 -2.112 5.581 7.650 1.00 0.00 C ATOM 277 OG1 THR A 22 -2.569 6.927 7.547 1.00 0.00 O ATOM 278 CG2 THR A 22 -1.064 5.628 8.764 1.00 0.00 C ATOM 0 H THR A 22 -1.184 7.319 5.861 1.00 0.00 H new ATOM 0 HA THR A 22 -0.895 4.385 6.363 1.00 0.00 H new ATOM 0 HB THR A 22 -2.856 4.819 7.883 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.984 7.197 8.393 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.553 5.838 9.715 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.552 4.667 8.823 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.339 6.413 8.548 1.00 0.00 H new ATOM 286 N LEU A 23 -3.063 3.780 5.242 1.00 0.00 N ATOM 287 CA LEU A 23 -4.064 3.361 4.276 1.00 0.00 C ATOM 288 C LEU A 23 -5.224 4.359 4.285 1.00 0.00 C ATOM 289 O LEU A 23 -5.382 5.141 3.349 1.00 0.00 O ATOM 290 CB LEU A 23 -4.493 1.917 4.540 1.00 0.00 C ATOM 291 CG LEU A 23 -5.014 1.140 3.329 1.00 0.00 C ATOM 292 CD1 LEU A 23 -5.985 1.991 2.508 1.00 0.00 C ATOM 293 CD2 LEU A 23 -3.859 0.608 2.480 1.00 0.00 C ATOM 0 H LEU A 23 -2.815 3.072 5.933 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.647 3.365 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.642 1.376 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.270 1.924 5.304 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.571 0.276 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.340 1.415 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.833 2.278 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.474 2.887 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.257 0.060 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.254 1.442 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.241 -0.058 3.082 1.00 0.00 H new ATOM 305 N GLU A 24 -6.006 4.298 5.353 1.00 0.00 N ATOM 306 CA GLU A 24 -7.147 5.186 5.496 1.00 0.00 C ATOM 307 C GLU A 24 -6.805 6.579 4.963 1.00 0.00 C ATOM 308 O GLU A 24 -7.681 7.295 4.480 1.00 0.00 O ATOM 309 CB GLU A 24 -7.609 5.255 6.953 1.00 0.00 C ATOM 310 CG GLU A 24 -8.367 3.986 7.348 1.00 0.00 C ATOM 311 CD GLU A 24 -7.467 3.032 8.136 1.00 0.00 C ATOM 312 OE1 GLU A 24 -7.312 3.272 9.352 1.00 0.00 O ATOM 313 OE2 GLU A 24 -6.955 2.083 7.503 1.00 0.00 O ATOM 0 H GLU A 24 -5.872 3.648 6.127 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.971 4.785 4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.746 5.386 7.606 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.250 6.125 7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.237 4.250 7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.737 3.486 6.453 1.00 0.00 H new ATOM 320 N ASN A 25 -5.530 6.923 5.069 1.00 0.00 N ATOM 321 CA ASN A 25 -5.062 8.217 4.604 1.00 0.00 C ATOM 322 C ASN A 25 -4.186 8.023 3.365 1.00 0.00 C ATOM 323 O ASN A 25 -3.010 8.383 3.370 1.00 0.00 O ATOM 324 CB ASN A 25 -4.220 8.915 5.674 1.00 0.00 C ATOM 325 CG ASN A 25 -5.039 9.159 6.943 1.00 0.00 C ATOM 326 OD1 ASN A 25 -6.247 8.991 6.976 1.00 0.00 O ATOM 327 ND2 ASN A 25 -4.316 9.565 7.983 1.00 0.00 N ATOM 0 H ASN A 25 -4.806 6.327 5.471 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.935 8.829 4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.348 8.305 5.911 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.849 9.865 5.288 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.770 9.756 8.876 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.308 9.686 7.887 1.00 0.00 H new ATOM 334 N LEU A 26 -4.793 7.454 2.334 1.00 0.00 N ATOM 335 CA LEU A 26 -4.082 7.207 1.091 1.00 0.00 C ATOM 336 C LEU A 26 -4.392 8.330 0.100 1.00 0.00 C ATOM 337 O LEU A 26 -3.566 8.660 -0.749 1.00 0.00 O ATOM 338 CB LEU A 26 -4.405 5.810 0.557 1.00 0.00 C ATOM 339 CG LEU A 26 -3.211 4.874 0.361 1.00 0.00 C ATOM 340 CD1 LEU A 26 -3.675 3.438 0.111 1.00 0.00 C ATOM 341 CD2 LEU A 26 -2.293 5.382 -0.753 1.00 0.00 C ATOM 0 H LEU A 26 -5.769 7.157 2.334 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.005 7.218 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.106 5.334 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.918 5.918 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.627 4.868 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.807 2.793 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.255 3.089 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.294 3.407 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.452 4.698 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.851 5.437 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.921 6.373 -0.494 1.00 0.00 H new ATOM 353 N GLU A 27 -5.586 8.888 0.240 1.00 0.00 N ATOM 354 CA GLU A 27 -6.016 9.967 -0.632 1.00 0.00 C ATOM 355 C GLU A 27 -5.212 11.236 -0.341 1.00 0.00 C ATOM 356 O GLU A 27 -4.661 11.849 -1.255 1.00 0.00 O ATOM 357 CB GLU A 27 -7.517 10.224 -0.488 1.00 0.00 C ATOM 358 CG GLU A 27 -8.329 9.042 -1.021 1.00 0.00 C ATOM 359 CD GLU A 27 -9.613 9.522 -1.701 1.00 0.00 C ATOM 360 OE1 GLU A 27 -9.981 10.692 -1.460 1.00 0.00 O ATOM 361 OE2 GLU A 27 -10.199 8.707 -2.447 1.00 0.00 O ATOM 0 H GLU A 27 -6.269 8.612 0.945 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.830 9.670 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.761 10.394 0.560 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.788 11.130 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.728 8.474 -1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.577 8.368 -0.202 1.00 0.00 H new ATOM 368 N ASN A 28 -5.170 11.593 0.934 1.00 0.00 N ATOM 369 CA ASN A 28 -4.443 12.778 1.356 1.00 0.00 C ATOM 370 C ASN A 28 -3.005 12.390 1.707 1.00 0.00 C ATOM 371 O ASN A 28 -2.430 12.919 2.657 1.00 0.00 O ATOM 372 CB ASN A 28 -5.081 13.402 2.599 1.00 0.00 C ATOM 373 CG ASN A 28 -6.233 14.333 2.215 1.00 0.00 C ATOM 374 OD1 ASN A 28 -6.116 15.547 2.236 1.00 0.00 O ATOM 375 ND2 ASN A 28 -7.348 13.698 1.865 1.00 0.00 N ATOM 0 H ASN A 28 -5.628 11.082 1.689 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.467 13.498 0.538 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.449 12.615 3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.329 13.959 3.157 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.174 14.231 1.592 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.377 12.678 1.870 1.00 0.00 H new ATOM 382 N LEU A 29 -2.465 11.470 0.921 1.00 0.00 N ATOM 383 CA LEU A 29 -1.106 11.006 1.136 1.00 0.00 C ATOM 384 C LEU A 29 -0.165 11.730 0.170 1.00 0.00 C ATOM 385 O LEU A 29 -0.587 12.175 -0.896 1.00 0.00 O ATOM 386 CB LEU A 29 -1.037 9.481 1.034 1.00 0.00 C ATOM 387 CG LEU A 29 0.361 8.881 0.871 1.00 0.00 C ATOM 388 CD1 LEU A 29 1.189 9.070 2.144 1.00 0.00 C ATOM 389 CD2 LEU A 29 0.282 7.412 0.452 1.00 0.00 C ATOM 0 H LEU A 29 -2.945 11.034 0.134 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.776 11.250 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.491 9.056 1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.647 9.166 0.187 1.00 0.00 H new ATOM 0 HG LEU A 29 0.872 9.417 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.178 8.635 2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.288 10.134 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.691 8.576 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.289 7.010 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.255 6.845 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.245 7.333 -0.499 1.00 0.00 H new ATOM 401 N ASP A 30 1.092 11.825 0.579 1.00 0.00 N ATOM 402 CA ASP A 30 2.096 12.487 -0.237 1.00 0.00 C ATOM 403 C ASP A 30 3.196 11.487 -0.596 1.00 0.00 C ATOM 404 O ASP A 30 4.136 11.290 0.173 1.00 0.00 O ATOM 405 CB ASP A 30 2.742 13.649 0.520 1.00 0.00 C ATOM 406 CG ASP A 30 3.956 14.275 -0.169 1.00 0.00 C ATOM 407 OD1 ASP A 30 4.077 14.074 -1.397 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.735 14.940 0.547 1.00 0.00 O ATOM 0 H ASP A 30 1.438 11.455 1.464 1.00 0.00 H new ATOM 0 HA ASP A 30 1.605 12.868 -1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.991 14.424 0.675 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.044 13.297 1.506 1.00 0.00 H new ATOM 413 N VAL A 31 3.043 10.881 -1.764 1.00 0.00 N ATOM 414 CA VAL A 31 4.012 9.906 -2.234 1.00 0.00 C ATOM 415 C VAL A 31 5.349 10.603 -2.487 1.00 0.00 C ATOM 416 O VAL A 31 6.372 9.945 -2.670 1.00 0.00 O ATOM 417 CB VAL A 31 3.470 9.184 -3.470 1.00 0.00 C ATOM 418 CG1 VAL A 31 3.099 10.181 -4.569 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.474 8.150 -3.984 1.00 0.00 C ATOM 0 H VAL A 31 2.262 11.046 -2.399 1.00 0.00 H new ATOM 0 HA VAL A 31 4.183 9.141 -1.476 1.00 0.00 H new ATOM 0 HB VAL A 31 2.563 8.655 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.717 9.642 -5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.333 10.862 -4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.983 10.751 -4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.065 7.651 -4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.406 8.649 -4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.668 7.412 -3.205 1.00 0.00 H new ATOM 429 N SER A 32 5.299 11.927 -2.490 1.00 0.00 N ATOM 430 CA SER A 32 6.494 12.722 -2.718 1.00 0.00 C ATOM 431 C SER A 32 7.109 13.137 -1.380 1.00 0.00 C ATOM 432 O SER A 32 8.021 13.962 -1.341 1.00 0.00 O ATOM 433 CB SER A 32 6.181 13.957 -3.565 1.00 0.00 C ATOM 434 OG SER A 32 7.159 14.170 -4.580 1.00 0.00 O ATOM 0 H SER A 32 4.449 12.470 -2.338 1.00 0.00 H new ATOM 0 HA SER A 32 7.211 12.112 -3.267 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.200 13.842 -4.025 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.130 14.835 -2.921 1.00 0.00 H new ATOM 0 HG SER A 32 6.923 14.966 -5.100 1.00 0.00 H new ATOM 440 N ALA A 33 6.586 12.547 -0.316 1.00 0.00 N ATOM 441 CA ALA A 33 7.072 12.845 1.021 1.00 0.00 C ATOM 442 C ALA A 33 8.086 11.779 1.440 1.00 0.00 C ATOM 443 O ALA A 33 9.138 12.099 1.990 1.00 0.00 O ATOM 444 CB ALA A 33 5.889 12.937 1.986 1.00 0.00 C ATOM 0 H ALA A 33 5.830 11.863 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 33 7.581 13.808 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.254 13.160 2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.215 13.729 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.354 11.987 1.998 1.00 0.00 H new ATOM 450 N PHE A 34 7.732 10.532 1.165 1.00 0.00 N ATOM 451 CA PHE A 34 8.598 9.416 1.507 1.00 0.00 C ATOM 452 C PHE A 34 10.035 9.677 1.050 1.00 0.00 C ATOM 453 O PHE A 34 10.287 9.869 -0.139 1.00 0.00 O ATOM 454 CB PHE A 34 8.057 8.188 0.772 1.00 0.00 C ATOM 455 CG PHE A 34 6.626 7.810 1.161 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.369 7.302 2.396 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.611 7.983 0.272 1.00 0.00 C ATOM 458 CE1 PHE A 34 5.041 6.951 2.757 1.00 0.00 C ATOM 459 CE2 PHE A 34 4.284 7.633 0.633 1.00 0.00 C ATOM 460 CZ PHE A 34 4.027 7.124 1.868 1.00 0.00 C ATOM 0 H PHE A 34 6.858 10.270 0.710 1.00 0.00 H new ATOM 0 HA PHE A 34 8.609 9.271 2.587 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.094 8.374 -0.301 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.713 7.340 0.971 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.175 7.165 3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.815 8.387 -0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.837 6.547 3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.478 7.771 -0.073 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.017 6.857 2.142 1.00 0.00 H new ATOM 470 N GLN A 35 10.939 9.674 2.018 1.00 0.00 N ATOM 471 CA GLN A 35 12.344 9.908 1.730 1.00 0.00 C ATOM 472 C GLN A 35 13.028 8.601 1.323 1.00 0.00 C ATOM 473 O GLN A 35 14.204 8.597 0.966 1.00 0.00 O ATOM 474 CB GLN A 35 13.050 10.546 2.928 1.00 0.00 C ATOM 475 CG GLN A 35 12.177 11.628 3.567 1.00 0.00 C ATOM 476 CD GLN A 35 12.911 12.314 4.721 1.00 0.00 C ATOM 477 OE1 GLN A 35 14.127 12.301 4.813 1.00 0.00 O ATOM 478 NE2 GLN A 35 12.106 12.913 5.594 1.00 0.00 N ATOM 0 H GLN A 35 10.726 9.513 3.003 1.00 0.00 H new ATOM 0 HA GLN A 35 12.412 10.606 0.895 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.284 9.780 3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.997 10.980 2.608 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.901 12.368 2.816 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.251 11.184 3.933 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.096 12.886 5.458 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.499 13.399 6.400 1.00 0.00 H new ATOM 487 N ALA A 36 12.260 7.523 1.392 1.00 0.00 N ATOM 488 CA ALA A 36 12.777 6.213 1.035 1.00 0.00 C ATOM 489 C ALA A 36 13.572 6.320 -0.268 1.00 0.00 C ATOM 490 O ALA A 36 13.516 7.341 -0.951 1.00 0.00 O ATOM 491 CB ALA A 36 11.619 5.218 0.931 1.00 0.00 C ATOM 0 H ALA A 36 11.284 7.530 1.690 1.00 0.00 H new ATOM 0 HA ALA A 36 13.455 5.846 1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.007 4.235 0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.105 5.156 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.919 5.553 0.165 1.00 0.00 H new ATOM 497 N PRO A 37 14.313 5.223 -0.581 1.00 0.00 N ATOM 498 CA PRO A 37 15.119 5.185 -1.789 1.00 0.00 C ATOM 499 C PRO A 37 14.241 4.988 -3.027 1.00 0.00 C ATOM 500 O PRO A 37 13.162 4.404 -2.941 1.00 0.00 O ATOM 501 CB PRO A 37 16.101 4.046 -1.571 1.00 0.00 C ATOM 502 CG PRO A 37 15.512 3.195 -0.458 1.00 0.00 C ATOM 503 CD PRO A 37 14.403 3.996 0.204 1.00 0.00 C ATOM 0 HA PRO A 37 15.648 6.120 -1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.230 3.462 -2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.084 4.426 -1.294 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.121 2.260 -0.859 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.280 2.933 0.270 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.460 3.450 0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.637 4.209 1.247 1.00 0.00 H new ATOM 511 N GLU A 38 14.737 5.487 -4.150 1.00 0.00 N ATOM 512 CA GLU A 38 14.012 5.373 -5.404 1.00 0.00 C ATOM 513 C GLU A 38 13.976 3.915 -5.866 1.00 0.00 C ATOM 514 O GLU A 38 13.294 3.584 -6.835 1.00 0.00 O ATOM 515 CB GLU A 38 14.627 6.274 -6.477 1.00 0.00 C ATOM 516 CG GLU A 38 14.114 7.709 -6.348 1.00 0.00 C ATOM 517 CD GLU A 38 13.632 8.242 -7.699 1.00 0.00 C ATOM 518 OE1 GLU A 38 12.571 7.762 -8.152 1.00 0.00 O ATOM 519 OE2 GLU A 38 14.334 9.119 -8.247 1.00 0.00 O ATOM 0 H GLU A 38 15.632 5.971 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 38 12.987 5.707 -5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.713 6.263 -6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.385 5.885 -7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.297 7.744 -5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.907 8.349 -5.962 1.00 0.00 H new ATOM 526 N ASP A 39 14.718 3.083 -5.151 1.00 0.00 N ATOM 527 CA ASP A 39 14.779 1.668 -5.476 1.00 0.00 C ATOM 528 C ASP A 39 14.286 0.852 -4.279 1.00 0.00 C ATOM 529 O ASP A 39 14.568 -0.341 -4.177 1.00 0.00 O ATOM 530 CB ASP A 39 16.214 1.235 -5.783 1.00 0.00 C ATOM 531 CG ASP A 39 17.117 2.338 -6.340 1.00 0.00 C ATOM 532 OD1 ASP A 39 17.302 3.339 -5.615 1.00 0.00 O ATOM 533 OD2 ASP A 39 17.602 2.154 -7.477 1.00 0.00 O ATOM 0 H ASP A 39 15.282 3.361 -4.348 1.00 0.00 H new ATOM 0 HA ASP A 39 14.154 1.497 -6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.663 0.845 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.184 0.414 -6.499 1.00 0.00 H new ATOM 538 N LEU A 40 13.556 1.528 -3.403 1.00 0.00 N ATOM 539 CA LEU A 40 13.021 0.881 -2.218 1.00 0.00 C ATOM 540 C LEU A 40 12.562 -0.534 -2.577 1.00 0.00 C ATOM 541 O LEU A 40 12.990 -1.505 -1.955 1.00 0.00 O ATOM 542 CB LEU A 40 11.923 1.741 -1.588 1.00 0.00 C ATOM 543 CG LEU A 40 11.277 1.181 -0.319 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.320 0.962 0.778 1.00 0.00 C ATOM 545 CD2 LEU A 40 10.128 2.075 0.152 1.00 0.00 C ATOM 0 H LEU A 40 13.323 2.517 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 40 13.795 0.782 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.344 2.719 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.141 1.898 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 40 10.850 0.206 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.833 0.564 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.073 0.255 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.798 1.911 1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.686 1.654 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.508 3.074 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.370 2.135 -0.629 1.00 0.00 H new ATOM 557 N LEU A 41 11.699 -0.605 -3.579 1.00 0.00 N ATOM 558 CA LEU A 41 11.178 -1.885 -4.029 1.00 0.00 C ATOM 559 C LEU A 41 11.860 -2.275 -5.342 1.00 0.00 C ATOM 560 O LEU A 41 11.191 -2.502 -6.349 1.00 0.00 O ATOM 561 CB LEU A 41 9.652 -1.841 -4.118 1.00 0.00 C ATOM 562 CG LEU A 41 8.953 -0.855 -3.179 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.858 -0.080 -3.914 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.416 -1.568 -1.936 1.00 0.00 C ATOM 0 H LEU A 41 11.347 0.203 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 41 11.409 -2.666 -3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.375 -1.595 -5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.267 -2.840 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 41 9.689 -0.127 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.377 0.613 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.299 0.478 -4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.116 -0.778 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.924 -0.845 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.699 -2.332 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.242 -2.036 -1.400 1.00 0.00 H new ATOM 576 N ASP A 42 13.182 -2.342 -5.288 1.00 0.00 N ATOM 577 CA ASP A 42 13.961 -2.700 -6.461 1.00 0.00 C ATOM 578 C ASP A 42 13.615 -4.130 -6.880 1.00 0.00 C ATOM 579 O ASP A 42 13.666 -5.050 -6.065 1.00 0.00 O ATOM 580 CB ASP A 42 15.461 -2.645 -6.164 1.00 0.00 C ATOM 581 CG ASP A 42 16.337 -3.477 -7.103 1.00 0.00 C ATOM 582 OD1 ASP A 42 16.475 -4.688 -6.827 1.00 0.00 O ATOM 583 OD2 ASP A 42 16.850 -2.882 -8.075 1.00 0.00 O ATOM 0 H ASP A 42 13.733 -2.154 -4.451 1.00 0.00 H new ATOM 0 HA ASP A 42 13.724 -1.990 -7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.788 -1.606 -6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.626 -2.984 -5.141 1.00 0.00 H new ATOM 588 N GLY A 43 13.269 -4.273 -8.152 1.00 0.00 N ATOM 589 CA GLY A 43 12.914 -5.576 -8.689 1.00 0.00 C ATOM 590 C GLY A 43 11.866 -6.264 -7.812 1.00 0.00 C ATOM 591 O GLY A 43 11.956 -7.464 -7.557 1.00 0.00 O ATOM 0 H GLY A 43 13.227 -3.508 -8.826 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.528 -5.463 -9.702 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.805 -6.201 -8.755 1.00 0.00 H new ATOM 595 N CYS A 44 10.897 -5.474 -7.374 1.00 0.00 N ATOM 596 CA CYS A 44 9.833 -5.992 -6.531 1.00 0.00 C ATOM 597 C CYS A 44 8.499 -5.762 -7.245 1.00 0.00 C ATOM 598 O CYS A 44 8.041 -4.627 -7.362 1.00 0.00 O ATOM 599 CB CYS A 44 9.853 -5.355 -5.140 1.00 0.00 C ATOM 600 SG CYS A 44 11.503 -5.567 -4.378 1.00 0.00 S ATOM 0 H CYS A 44 10.826 -4.479 -7.587 1.00 0.00 H new ATOM 0 HA CYS A 44 9.979 -7.060 -6.372 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.611 -4.295 -5.213 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.091 -5.814 -4.510 1.00 0.00 H new ATOM 0 HG CYS A 44 12.420 -5.469 -5.294 1.00 0.00 H new ATOM 606 N ARG A 45 7.914 -6.859 -7.703 1.00 0.00 N ATOM 607 CA ARG A 45 6.642 -6.792 -8.402 1.00 0.00 C ATOM 608 C ARG A 45 5.487 -7.028 -7.427 1.00 0.00 C ATOM 609 O ARG A 45 5.351 -8.118 -6.872 1.00 0.00 O ATOM 610 CB ARG A 45 6.574 -7.830 -9.524 1.00 0.00 C ATOM 611 CG ARG A 45 6.944 -7.207 -10.871 1.00 0.00 C ATOM 612 CD ARG A 45 7.395 -8.279 -11.865 1.00 0.00 C ATOM 613 NE ARG A 45 8.867 -8.424 -11.820 1.00 0.00 N ATOM 614 CZ ARG A 45 9.727 -7.502 -12.274 1.00 0.00 C ATOM 615 NH1 ARG A 45 9.268 -6.364 -12.811 1.00 0.00 N ATOM 616 NH2 ARG A 45 11.047 -7.719 -12.192 1.00 0.00 N ATOM 0 H ARG A 45 8.297 -7.799 -7.604 1.00 0.00 H new ATOM 0 HA ARG A 45 6.556 -5.797 -8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.251 -8.655 -9.303 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.569 -8.248 -9.577 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.086 -6.669 -11.275 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.741 -6.477 -10.731 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.920 -9.231 -11.626 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.079 -8.009 -12.872 1.00 0.00 H new ATOM 0 HE ARG A 45 9.251 -9.279 -11.418 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.263 -6.199 -12.874 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.923 -5.663 -13.156 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.397 -8.586 -11.784 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.702 -7.017 -12.538 1.00 0.00 H new ATOM 630 N ILE A 46 4.684 -5.990 -7.247 1.00 0.00 N ATOM 631 CA ILE A 46 3.545 -6.071 -6.349 1.00 0.00 C ATOM 632 C ILE A 46 2.252 -5.945 -7.158 1.00 0.00 C ATOM 633 O ILE A 46 2.239 -5.325 -8.220 1.00 0.00 O ATOM 634 CB ILE A 46 3.672 -5.037 -5.228 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.075 -5.060 -4.617 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.584 -5.238 -4.171 1.00 0.00 C ATOM 637 CD1 ILE A 46 5.739 -3.685 -4.718 1.00 0.00 C ATOM 0 H ILE A 46 4.800 -5.088 -7.708 1.00 0.00 H new ATOM 0 HA ILE A 46 3.519 -7.042 -5.855 1.00 0.00 H new ATOM 0 HB ILE A 46 3.524 -4.047 -5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.016 -5.363 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.687 -5.802 -5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.697 -4.490 -3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.603 -5.132 -4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.676 -6.235 -3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.735 -3.728 -4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.819 -3.396 -5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.137 -2.950 -4.183 1.00 0.00 H new ATOM 649 N TYR A 47 1.197 -6.543 -6.624 1.00 0.00 N ATOM 650 CA TYR A 47 -0.097 -6.506 -7.283 1.00 0.00 C ATOM 651 C TYR A 47 -1.083 -5.633 -6.505 1.00 0.00 C ATOM 652 O TYR A 47 -1.302 -5.847 -5.314 1.00 0.00 O ATOM 653 CB TYR A 47 -0.608 -7.948 -7.292 1.00 0.00 C ATOM 654 CG TYR A 47 -2.071 -8.088 -7.716 1.00 0.00 C ATOM 655 CD1 TYR A 47 -2.429 -7.891 -9.035 1.00 0.00 C ATOM 656 CD2 TYR A 47 -3.033 -8.410 -6.781 1.00 0.00 C ATOM 657 CE1 TYR A 47 -3.806 -8.022 -9.435 1.00 0.00 C ATOM 658 CE2 TYR A 47 -4.410 -8.541 -7.181 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.729 -8.341 -8.488 1.00 0.00 C ATOM 660 OH TYR A 47 -6.029 -8.465 -8.866 1.00 0.00 O ATOM 0 H TYR A 47 1.212 -7.056 -5.742 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.005 -6.089 -8.286 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.013 -8.538 -7.966 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.487 -8.371 -6.295 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.676 -7.639 -9.767 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.753 -8.564 -5.749 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.099 -7.870 -10.463 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.173 -8.793 -6.459 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.612 -8.187 -8.129 1.00 0.00 H new ATOM 670 N LEU A 48 -1.653 -4.666 -7.211 1.00 0.00 N ATOM 671 CA LEU A 48 -2.611 -3.760 -6.601 1.00 0.00 C ATOM 672 C LEU A 48 -4.021 -4.332 -6.762 1.00 0.00 C ATOM 673 O LEU A 48 -4.495 -4.520 -7.881 1.00 0.00 O ATOM 674 CB LEU A 48 -2.451 -2.349 -7.171 1.00 0.00 C ATOM 675 CG LEU A 48 -1.127 -1.647 -6.862 1.00 0.00 C ATOM 676 CD1 LEU A 48 -1.082 -0.257 -7.500 1.00 0.00 C ATOM 677 CD2 LEU A 48 -0.873 -1.595 -5.355 1.00 0.00 C ATOM 0 H LEU A 48 -1.469 -4.491 -8.199 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.423 -3.670 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.568 -2.400 -8.253 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.264 -1.731 -6.791 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.319 -2.230 -7.304 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.131 0.220 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.185 -0.349 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.899 0.350 -7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.074 -1.091 -5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.680 -1.048 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.832 -2.609 -4.958 1.00 0.00 H new ATOM 689 N CYS A 49 -4.652 -4.592 -5.626 1.00 0.00 N ATOM 690 CA CYS A 49 -5.999 -5.138 -5.627 1.00 0.00 C ATOM 691 C CYS A 49 -6.862 -4.289 -4.691 1.00 0.00 C ATOM 692 O CYS A 49 -6.419 -3.905 -3.610 1.00 0.00 O ATOM 693 CB CYS A 49 -6.009 -6.616 -5.229 1.00 0.00 C ATOM 694 SG CYS A 49 -7.377 -7.483 -6.082 1.00 0.00 S ATOM 0 H CYS A 49 -4.256 -4.435 -4.699 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.411 -5.097 -6.635 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.056 -7.078 -5.489 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.125 -6.710 -4.149 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.251 -8.766 -5.911 1.00 0.00 H new ATOM 700 N GLY A 50 -8.079 -4.022 -5.142 1.00 0.00 N ATOM 701 CA GLY A 50 -9.008 -3.225 -4.359 1.00 0.00 C ATOM 702 C GLY A 50 -8.504 -1.789 -4.203 1.00 0.00 C ATOM 703 O GLY A 50 -8.257 -1.332 -3.088 1.00 0.00 O ATOM 0 H GLY A 50 -8.443 -4.343 -6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.985 -3.221 -4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.140 -3.676 -3.376 1.00 0.00 H new ATOM 707 N PHE A 51 -8.365 -1.118 -5.336 1.00 0.00 N ATOM 708 CA PHE A 51 -7.894 0.256 -5.340 1.00 0.00 C ATOM 709 C PHE A 51 -8.444 1.021 -6.545 1.00 0.00 C ATOM 710 O PHE A 51 -8.167 0.666 -7.690 1.00 0.00 O ATOM 711 CB PHE A 51 -6.368 0.206 -5.436 1.00 0.00 C ATOM 712 CG PHE A 51 -5.676 -0.211 -4.136 1.00 0.00 C ATOM 713 CD1 PHE A 51 -6.002 0.400 -2.966 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.735 -1.193 -4.152 1.00 0.00 C ATOM 715 CE1 PHE A 51 -5.360 0.012 -1.760 1.00 0.00 C ATOM 716 CE2 PHE A 51 -4.093 -1.580 -2.946 1.00 0.00 C ATOM 717 CZ PHE A 51 -4.419 -0.969 -1.775 1.00 0.00 C ATOM 0 H PHE A 51 -8.571 -1.501 -6.259 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.228 0.766 -4.437 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.086 -0.491 -6.225 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.000 1.188 -5.732 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.749 1.180 -2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.476 -1.678 -5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.620 0.497 -0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.346 -2.360 -2.958 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.930 -1.263 -0.858 1.00 0.00 H new ATOM 727 N SER A 52 -9.214 2.058 -6.247 1.00 0.00 N ATOM 728 CA SER A 52 -9.805 2.876 -7.292 1.00 0.00 C ATOM 729 C SER A 52 -9.933 4.324 -6.814 1.00 0.00 C ATOM 730 O SER A 52 -10.563 4.590 -5.791 1.00 0.00 O ATOM 731 CB SER A 52 -11.173 2.332 -7.710 1.00 0.00 C ATOM 732 OG SER A 52 -11.084 1.481 -8.849 1.00 0.00 O ATOM 0 H SER A 52 -9.442 2.350 -5.297 1.00 0.00 H new ATOM 0 HA SER A 52 -9.150 2.844 -8.163 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.613 1.781 -6.879 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.842 3.164 -7.930 1.00 0.00 H new ATOM 0 HG SER A 52 -10.225 1.010 -8.839 1.00 0.00 H new ATOM 738 N GLY A 53 -9.326 5.221 -7.576 1.00 0.00 N ATOM 739 CA GLY A 53 -9.364 6.635 -7.243 1.00 0.00 C ATOM 740 C GLY A 53 -7.958 7.170 -6.962 1.00 0.00 C ATOM 741 O GLY A 53 -7.106 7.180 -7.849 1.00 0.00 O ATOM 0 H GLY A 53 -8.805 4.996 -8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.812 7.194 -8.065 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.997 6.790 -6.369 1.00 0.00 H new ATOM 745 N ARG A 54 -7.760 7.603 -5.726 1.00 0.00 N ATOM 746 CA ARG A 54 -6.473 8.138 -5.317 1.00 0.00 C ATOM 747 C ARG A 54 -5.583 7.021 -4.768 1.00 0.00 C ATOM 748 O ARG A 54 -4.445 6.858 -5.204 1.00 0.00 O ATOM 749 CB ARG A 54 -6.640 9.220 -4.248 1.00 0.00 C ATOM 750 CG ARG A 54 -6.798 10.602 -4.886 1.00 0.00 C ATOM 751 CD ARG A 54 -6.761 11.703 -3.825 1.00 0.00 C ATOM 752 NE ARG A 54 -7.750 12.754 -4.152 1.00 0.00 N ATOM 753 CZ ARG A 54 -7.731 13.991 -3.635 1.00 0.00 C ATOM 754 NH1 ARG A 54 -6.773 14.338 -2.764 1.00 0.00 N ATOM 755 NH2 ARG A 54 -8.669 14.880 -3.990 1.00 0.00 N ATOM 0 H ARG A 54 -8.470 7.594 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.005 8.581 -6.196 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.512 8.997 -3.633 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.774 9.218 -3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.001 10.765 -5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.741 10.649 -5.431 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.977 11.281 -2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.762 12.136 -3.773 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.493 12.523 -4.812 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.059 13.661 -2.495 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.758 15.279 -2.370 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.397 14.616 -4.653 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.655 15.821 -3.597 1.00 0.00 H new ATOM 769 N LYS A 55 -6.136 6.281 -3.818 1.00 0.00 N ATOM 770 CA LYS A 55 -5.407 5.184 -3.204 1.00 0.00 C ATOM 771 C LYS A 55 -4.620 4.435 -4.281 1.00 0.00 C ATOM 772 O LYS A 55 -3.484 4.024 -4.052 1.00 0.00 O ATOM 773 CB LYS A 55 -6.357 4.291 -2.404 1.00 0.00 C ATOM 774 CG LYS A 55 -7.295 5.129 -1.533 1.00 0.00 C ATOM 775 CD LYS A 55 -7.827 4.311 -0.355 1.00 0.00 C ATOM 776 CE LYS A 55 -7.748 5.109 0.948 1.00 0.00 C ATOM 777 NZ LYS A 55 -9.046 5.073 1.658 1.00 0.00 N ATOM 0 H LYS A 55 -7.080 6.420 -3.458 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.682 5.564 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.942 3.674 -3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.781 3.612 -1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.765 6.006 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.129 5.491 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.860 4.022 -0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.251 3.391 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.966 4.697 1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.473 6.142 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.975 5.619 2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.784 5.487 1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.293 4.088 1.880 1.00 0.00 H new ATOM 791 N LEU A 56 -5.255 4.281 -5.434 1.00 0.00 N ATOM 792 CA LEU A 56 -4.628 3.589 -6.547 1.00 0.00 C ATOM 793 C LEU A 56 -3.508 4.461 -7.119 1.00 0.00 C ATOM 794 O LEU A 56 -2.330 4.139 -6.973 1.00 0.00 O ATOM 795 CB LEU A 56 -5.678 3.179 -7.582 1.00 0.00 C ATOM 796 CG LEU A 56 -5.166 2.356 -8.767 1.00 0.00 C ATOM 797 CD1 LEU A 56 -4.246 1.229 -8.294 1.00 0.00 C ATOM 798 CD2 LEU A 56 -6.327 1.831 -9.613 1.00 0.00 C ATOM 0 H LEU A 56 -6.197 4.624 -5.621 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.168 2.661 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.454 2.606 -7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.150 4.082 -7.969 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.573 3.010 -9.406 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.896 0.659 -9.155 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.391 1.654 -7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.795 0.570 -7.621 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.935 1.250 -10.448 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.967 1.198 -8.999 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.907 2.671 -9.996 1.00 0.00 H new ATOM 810 N ASP A 57 -3.916 5.547 -7.758 1.00 0.00 N ATOM 811 CA ASP A 57 -2.961 6.468 -8.352 1.00 0.00 C ATOM 812 C ASP A 57 -1.751 6.608 -7.427 1.00 0.00 C ATOM 813 O ASP A 57 -0.611 6.620 -7.889 1.00 0.00 O ATOM 814 CB ASP A 57 -3.577 7.856 -8.538 1.00 0.00 C ATOM 815 CG ASP A 57 -3.618 8.357 -9.983 1.00 0.00 C ATOM 816 OD1 ASP A 57 -2.534 8.389 -10.603 1.00 0.00 O ATOM 817 OD2 ASP A 57 -4.733 8.696 -10.435 1.00 0.00 O ATOM 0 H ASP A 57 -4.894 5.810 -7.878 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.668 6.070 -9.324 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.594 7.841 -8.145 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.014 8.570 -7.937 1.00 0.00 H new ATOM 822 N LYS A 58 -2.040 6.711 -6.138 1.00 0.00 N ATOM 823 CA LYS A 58 -0.989 6.850 -5.145 1.00 0.00 C ATOM 824 C LYS A 58 0.023 5.715 -5.316 1.00 0.00 C ATOM 825 O LYS A 58 1.182 5.957 -5.647 1.00 0.00 O ATOM 826 CB LYS A 58 -1.588 6.933 -3.739 1.00 0.00 C ATOM 827 CG LYS A 58 -2.251 8.291 -3.505 1.00 0.00 C ATOM 828 CD LYS A 58 -1.252 9.299 -2.934 1.00 0.00 C ATOM 829 CE LYS A 58 -1.878 10.690 -2.824 1.00 0.00 C ATOM 830 NZ LYS A 58 -0.937 11.722 -3.315 1.00 0.00 N ATOM 0 H LYS A 58 -2.987 6.701 -5.759 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.448 7.785 -5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.322 6.138 -3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.806 6.773 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.657 8.668 -4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.090 8.176 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.918 8.968 -1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.370 9.343 -3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.801 10.727 -3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.143 10.895 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.451 12.409 -3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.506 12.212 -2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.192 11.270 -3.883 1.00 0.00 H new ATOM 844 N LEU A 59 -0.453 4.500 -5.083 1.00 0.00 N ATOM 845 CA LEU A 59 0.395 3.327 -5.208 1.00 0.00 C ATOM 846 C LEU A 59 1.177 3.406 -6.520 1.00 0.00 C ATOM 847 O LEU A 59 2.398 3.254 -6.530 1.00 0.00 O ATOM 848 CB LEU A 59 -0.434 2.049 -5.061 1.00 0.00 C ATOM 849 CG LEU A 59 -0.916 1.721 -3.647 1.00 0.00 C ATOM 850 CD1 LEU A 59 -1.833 0.496 -3.650 1.00 0.00 C ATOM 851 CD2 LEU A 59 0.266 1.549 -2.691 1.00 0.00 C ATOM 0 H LEU A 59 -1.415 4.303 -4.808 1.00 0.00 H new ATOM 0 HA LEU A 59 1.128 3.298 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.305 2.128 -5.711 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.160 1.211 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.505 2.563 -3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.161 0.285 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.702 0.693 -4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.290 -0.364 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.104 1.316 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.902 0.736 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.844 2.472 -2.657 1.00 0.00 H new ATOM 863 N ARG A 60 0.442 3.643 -7.597 1.00 0.00 N ATOM 864 CA ARG A 60 1.052 3.744 -8.912 1.00 0.00 C ATOM 865 C ARG A 60 2.288 4.643 -8.857 1.00 0.00 C ATOM 866 O ARG A 60 3.217 4.477 -9.645 1.00 0.00 O ATOM 867 CB ARG A 60 0.064 4.308 -9.935 1.00 0.00 C ATOM 868 CG ARG A 60 -1.241 3.510 -9.936 1.00 0.00 C ATOM 869 CD ARG A 60 -2.042 3.770 -11.213 1.00 0.00 C ATOM 870 NE ARG A 60 -1.185 3.558 -12.401 1.00 0.00 N ATOM 871 CZ ARG A 60 -1.522 3.924 -13.645 1.00 0.00 C ATOM 872 NH1 ARG A 60 -2.699 4.522 -13.872 1.00 0.00 N ATOM 873 NH2 ARG A 60 -0.681 3.692 -14.663 1.00 0.00 N ATOM 0 H ARG A 60 -0.570 3.768 -7.586 1.00 0.00 H new ATOM 0 HA ARG A 60 1.343 2.740 -9.220 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.145 5.353 -9.706 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.510 4.283 -10.929 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.021 2.446 -9.851 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.839 3.782 -9.066 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.904 3.104 -11.253 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.427 4.790 -11.209 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.281 3.105 -12.264 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.339 4.699 -13.098 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.955 4.801 -14.819 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.215 3.237 -14.490 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.938 3.971 -15.610 1.00 0.00 H new ATOM 887 N ARG A 61 2.259 5.577 -7.917 1.00 0.00 N ATOM 888 CA ARG A 61 3.366 6.503 -7.748 1.00 0.00 C ATOM 889 C ARG A 61 4.314 6.004 -6.656 1.00 0.00 C ATOM 890 O ARG A 61 5.529 6.166 -6.762 1.00 0.00 O ATOM 891 CB ARG A 61 2.864 7.900 -7.378 1.00 0.00 C ATOM 892 CG ARG A 61 1.998 8.485 -8.496 1.00 0.00 C ATOM 893 CD ARG A 61 1.667 9.953 -8.221 1.00 0.00 C ATOM 894 NE ARG A 61 1.320 10.639 -9.486 1.00 0.00 N ATOM 895 CZ ARG A 61 1.212 11.969 -9.614 1.00 0.00 C ATOM 896 NH1 ARG A 61 1.423 12.763 -8.556 1.00 0.00 N ATOM 897 NH2 ARG A 61 0.893 12.504 -10.801 1.00 0.00 N ATOM 0 H ARG A 61 1.486 5.712 -7.265 1.00 0.00 H new ATOM 0 HA ARG A 61 3.898 6.560 -8.698 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.287 7.850 -6.454 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.713 8.557 -7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.520 8.398 -9.449 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.076 7.911 -8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.835 10.022 -7.520 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.519 10.445 -7.753 1.00 0.00 H new ATOM 0 HE ARG A 61 1.153 10.064 -10.312 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.666 12.356 -7.653 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.341 13.775 -8.653 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.733 11.899 -11.606 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.811 13.516 -10.899 1.00 0.00 H new ATOM 911 N LEU A 62 3.724 5.406 -5.632 1.00 0.00 N ATOM 912 CA LEU A 62 4.500 4.882 -4.522 1.00 0.00 C ATOM 913 C LEU A 62 5.349 3.705 -5.009 1.00 0.00 C ATOM 914 O LEU A 62 6.576 3.748 -4.935 1.00 0.00 O ATOM 915 CB LEU A 62 3.586 4.535 -3.345 1.00 0.00 C ATOM 916 CG LEU A 62 3.528 5.565 -2.215 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.140 6.202 -2.125 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.961 4.945 -0.885 1.00 0.00 C ATOM 0 H LEU A 62 2.716 5.273 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 62 5.189 5.640 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.576 4.386 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.912 3.583 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 62 4.235 6.363 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.126 6.930 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.907 6.702 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.397 5.429 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.911 5.698 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.298 4.116 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.984 4.578 -0.971 1.00 0.00 H new ATOM 930 N ILE A 63 4.661 2.683 -5.496 1.00 0.00 N ATOM 931 CA ILE A 63 5.336 1.497 -5.996 1.00 0.00 C ATOM 932 C ILE A 63 6.458 1.917 -6.948 1.00 0.00 C ATOM 933 O ILE A 63 7.564 1.382 -6.884 1.00 0.00 O ATOM 934 CB ILE A 63 4.329 0.530 -6.621 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.546 -0.220 -5.541 1.00 0.00 C ATOM 936 CG2 ILE A 63 5.018 -0.426 -7.596 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.046 -0.204 -5.841 1.00 0.00 C ATOM 0 H ILE A 63 3.643 2.651 -5.555 1.00 0.00 H new ATOM 0 HA ILE A 63 5.801 0.950 -5.176 1.00 0.00 H new ATOM 0 HB ILE A 63 3.609 1.112 -7.196 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.898 -1.250 -5.481 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.731 0.237 -4.569 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.279 -1.102 -8.026 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.493 0.147 -8.393 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.774 -1.005 -7.065 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.513 -0.744 -5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.693 0.827 -5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.862 -0.684 -6.802 1.00 0.00 H new ATOM 949 N ASN A 64 6.134 2.870 -7.809 1.00 0.00 N ATOM 950 CA ASN A 64 7.101 3.368 -8.773 1.00 0.00 C ATOM 951 C ASN A 64 8.228 4.089 -8.032 1.00 0.00 C ATOM 952 O ASN A 64 9.398 3.945 -8.383 1.00 0.00 O ATOM 953 CB ASN A 64 6.454 4.365 -9.736 1.00 0.00 C ATOM 954 CG ASN A 64 6.620 3.911 -11.188 1.00 0.00 C ATOM 955 OD1 ASN A 64 7.718 3.714 -11.683 1.00 0.00 O ATOM 956 ND2 ASN A 64 5.472 3.756 -11.841 1.00 0.00 N ATOM 0 H ASN A 64 5.216 3.311 -7.859 1.00 0.00 H new ATOM 0 HA ASN A 64 7.484 2.518 -9.338 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.394 4.467 -9.502 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.905 5.348 -9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.476 3.455 -12.816 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.587 3.938 -11.367 1.00 0.00 H new ATOM 963 N SER A 65 7.836 4.851 -7.021 1.00 0.00 N ATOM 964 CA SER A 65 8.800 5.596 -6.228 1.00 0.00 C ATOM 965 C SER A 65 9.909 4.662 -5.740 1.00 0.00 C ATOM 966 O SER A 65 11.091 4.945 -5.927 1.00 0.00 O ATOM 967 CB SER A 65 8.122 6.282 -5.040 1.00 0.00 C ATOM 968 OG SER A 65 8.783 7.490 -4.674 1.00 0.00 O ATOM 0 H SER A 65 6.865 4.969 -6.733 1.00 0.00 H new ATOM 0 HA SER A 65 9.237 6.370 -6.859 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.083 6.498 -5.290 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.110 5.603 -4.188 1.00 0.00 H new ATOM 0 HG SER A 65 8.320 7.899 -3.913 1.00 0.00 H new ATOM 974 N GLY A 66 9.488 3.567 -5.123 1.00 0.00 N ATOM 975 CA GLY A 66 10.431 2.590 -4.606 1.00 0.00 C ATOM 976 C GLY A 66 11.085 1.804 -5.745 1.00 0.00 C ATOM 977 O GLY A 66 11.949 0.961 -5.506 1.00 0.00 O ATOM 0 H GLY A 66 8.507 3.335 -4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.199 3.095 -4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.917 1.903 -3.934 1.00 0.00 H new ATOM 981 N GLY A 67 10.647 2.107 -6.958 1.00 0.00 N ATOM 982 CA GLY A 67 11.179 1.439 -8.134 1.00 0.00 C ATOM 983 C GLY A 67 10.380 0.173 -8.453 1.00 0.00 C ATOM 984 O GLY A 67 10.454 -0.347 -9.566 1.00 0.00 O ATOM 0 H GLY A 67 9.930 2.806 -7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.149 2.117 -8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.225 1.181 -7.968 1.00 0.00 H new ATOM 988 N GLY A 68 9.636 -0.285 -7.458 1.00 0.00 N ATOM 989 CA GLY A 68 8.825 -1.480 -7.619 1.00 0.00 C ATOM 990 C GLY A 68 7.966 -1.394 -8.883 1.00 0.00 C ATOM 991 O GLY A 68 7.956 -0.368 -9.562 1.00 0.00 O ATOM 0 H GLY A 68 9.577 0.150 -6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.470 -2.357 -7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.184 -1.609 -6.747 1.00 0.00 H new ATOM 995 N VAL A 69 7.267 -2.484 -9.161 1.00 0.00 N ATOM 996 CA VAL A 69 6.408 -2.545 -10.331 1.00 0.00 C ATOM 997 C VAL A 69 5.044 -3.108 -9.928 1.00 0.00 C ATOM 998 O VAL A 69 4.956 -4.223 -9.416 1.00 0.00 O ATOM 999 CB VAL A 69 7.087 -3.355 -11.438 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.080 -3.760 -12.516 1.00 0.00 C ATOM 1001 CG2 VAL A 69 8.259 -2.580 -12.044 1.00 0.00 C ATOM 0 H VAL A 69 7.278 -3.333 -8.596 1.00 0.00 H new ATOM 0 HA VAL A 69 6.241 -1.546 -10.734 1.00 0.00 H new ATOM 0 HB VAL A 69 7.484 -4.267 -10.992 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.588 -4.334 -13.291 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.294 -4.369 -12.069 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.640 -2.866 -12.957 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.724 -3.178 -12.828 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.896 -1.644 -12.469 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.993 -2.365 -11.268 1.00 0.00 H new ATOM 1011 N ARG A 70 4.014 -2.312 -10.176 1.00 0.00 N ATOM 1012 CA ARG A 70 2.658 -2.718 -9.845 1.00 0.00 C ATOM 1013 C ARG A 70 2.030 -3.473 -11.018 1.00 0.00 C ATOM 1014 O ARG A 70 2.081 -3.012 -12.157 1.00 0.00 O ATOM 1015 CB ARG A 70 1.789 -1.506 -9.503 1.00 0.00 C ATOM 1016 CG ARG A 70 1.735 -0.522 -10.673 1.00 0.00 C ATOM 1017 CD ARG A 70 0.329 0.061 -10.834 1.00 0.00 C ATOM 1018 NE ARG A 70 0.002 0.202 -12.271 1.00 0.00 N ATOM 1019 CZ ARG A 70 -1.247 0.236 -12.756 1.00 0.00 C ATOM 1020 NH1 ARG A 70 -2.292 0.139 -11.924 1.00 0.00 N ATOM 1021 NH2 ARG A 70 -1.450 0.367 -14.074 1.00 0.00 N ATOM 0 H ARG A 70 4.091 -1.388 -10.602 1.00 0.00 H new ATOM 0 HA ARG A 70 2.710 -3.371 -8.974 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.780 -1.836 -9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.188 -1.006 -8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.450 0.284 -10.508 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.030 -1.028 -11.592 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.400 -0.587 -10.348 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.270 1.032 -10.342 1.00 0.00 H new ATOM 0 HE ARG A 70 0.775 0.278 -12.933 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.138 0.039 -10.921 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.242 0.165 -12.294 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.654 0.441 -14.708 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.400 0.393 -14.444 1.00 0.00 H new ATOM 1035 N PHE A 71 1.450 -4.621 -10.699 1.00 0.00 N ATOM 1036 CA PHE A 71 0.812 -5.445 -11.711 1.00 0.00 C ATOM 1037 C PHE A 71 -0.710 -5.308 -11.650 1.00 0.00 C ATOM 1038 O PHE A 71 -1.329 -5.664 -10.648 1.00 0.00 O ATOM 1039 CB PHE A 71 1.195 -6.896 -11.414 1.00 0.00 C ATOM 1040 CG PHE A 71 2.404 -7.396 -12.206 1.00 0.00 C ATOM 1041 CD1 PHE A 71 3.505 -6.608 -12.337 1.00 0.00 C ATOM 1042 CD2 PHE A 71 2.379 -8.628 -12.781 1.00 0.00 C ATOM 1043 CE1 PHE A 71 4.627 -7.071 -13.072 1.00 0.00 C ATOM 1044 CE2 PHE A 71 3.501 -9.092 -13.516 1.00 0.00 C ATOM 1045 CZ PHE A 71 4.602 -8.304 -13.647 1.00 0.00 C ATOM 0 H PHE A 71 1.409 -5.000 -9.753 1.00 0.00 H new ATOM 0 HA PHE A 71 1.138 -5.134 -12.704 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.406 -6.994 -10.349 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.341 -7.538 -11.631 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.525 -5.629 -11.881 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.505 -9.254 -12.678 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.501 -6.445 -13.175 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.481 -10.071 -13.971 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.456 -8.657 -14.207 1.00 0.00 H new ATOM 1055 N ASN A 72 -1.270 -4.792 -12.734 1.00 0.00 N ATOM 1056 CA ASN A 72 -2.709 -4.604 -12.816 1.00 0.00 C ATOM 1057 C ASN A 72 -3.407 -5.951 -12.615 1.00 0.00 C ATOM 1058 O ASN A 72 -4.506 -6.008 -12.066 1.00 0.00 O ATOM 1059 CB ASN A 72 -3.116 -4.060 -14.186 1.00 0.00 C ATOM 1060 CG ASN A 72 -4.620 -3.782 -14.241 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -5.161 -2.998 -13.479 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -5.262 -4.467 -15.183 1.00 0.00 N ATOM 0 H ASN A 72 -0.754 -4.498 -13.563 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.001 -3.892 -12.044 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.565 -3.143 -14.395 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.847 -4.778 -14.961 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -6.269 -4.352 -15.301 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.748 -5.108 -15.788 1.00 0.00 H new ATOM 1069 N GLN A 73 -2.740 -7.001 -13.072 1.00 0.00 N ATOM 1070 CA GLN A 73 -3.283 -8.343 -12.950 1.00 0.00 C ATOM 1071 C GLN A 73 -2.307 -9.243 -12.190 1.00 0.00 C ATOM 1072 O GLN A 73 -1.105 -9.223 -12.453 1.00 0.00 O ATOM 1073 CB GLN A 73 -3.612 -8.928 -14.324 1.00 0.00 C ATOM 1074 CG GLN A 73 -4.583 -8.024 -15.087 1.00 0.00 C ATOM 1075 CD GLN A 73 -4.809 -8.539 -16.510 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -3.992 -8.362 -17.399 1.00 0.00 O ATOM 1077 NE2 GLN A 73 -5.960 -9.185 -16.675 1.00 0.00 N ATOM 0 H GLN A 73 -1.829 -6.949 -13.527 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.212 -8.288 -12.383 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.695 -9.051 -14.900 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.049 -9.919 -14.206 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.535 -7.978 -14.558 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.189 -7.009 -15.122 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.599 -9.298 -15.888 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.204 -9.568 -17.589 1.00 0.00 H new ATOM 1086 N LEU A 74 -2.859 -10.011 -11.262 1.00 0.00 N ATOM 1087 CA LEU A 74 -2.052 -10.917 -10.463 1.00 0.00 C ATOM 1088 C LEU A 74 -1.645 -12.119 -11.316 1.00 0.00 C ATOM 1089 O LEU A 74 -2.404 -12.557 -12.179 1.00 0.00 O ATOM 1090 CB LEU A 74 -2.788 -11.297 -9.176 1.00 0.00 C ATOM 1091 CG LEU A 74 -1.958 -11.258 -7.892 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -2.859 -11.152 -6.660 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -1.016 -12.461 -7.811 1.00 0.00 C ATOM 0 H LEU A 74 -3.856 -10.024 -11.046 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.132 -10.427 -10.144 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.638 -10.626 -9.056 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.190 -12.303 -9.295 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.336 -10.363 -7.914 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.244 -11.126 -5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.452 -10.240 -6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.524 -12.015 -6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.438 -12.409 -6.889 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.600 -13.382 -7.822 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.339 -12.451 -8.665 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.448 -12.619 -11.046 1.00 0.00 N ATOM 1106 CA ASN A 75 0.069 -13.762 -11.778 1.00 0.00 C ATOM 1107 C ASN A 75 1.492 -14.065 -11.305 1.00 0.00 C ATOM 1108 O ASN A 75 2.010 -13.392 -10.415 1.00 0.00 O ATOM 1109 CB ASN A 75 0.121 -13.476 -13.280 1.00 0.00 C ATOM 1110 CG ASN A 75 1.044 -12.294 -13.581 1.00 0.00 C ATOM 1111 OD1 ASN A 75 0.686 -11.138 -13.427 1.00 0.00 O ATOM 1112 ND2 ASN A 75 2.250 -12.647 -14.019 1.00 0.00 N ATOM 0 H ASN A 75 0.179 -12.253 -10.330 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.594 -14.608 -11.594 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.473 -14.361 -13.810 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.882 -13.262 -13.648 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.939 -11.931 -14.248 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.485 -13.634 -14.125 1.00 0.00 H new ATOM 1119 N GLU A 76 2.083 -15.078 -11.920 1.00 0.00 N ATOM 1120 CA GLU A 76 3.436 -15.478 -11.573 1.00 0.00 C ATOM 1121 C GLU A 76 4.423 -14.358 -11.908 1.00 0.00 C ATOM 1122 O GLU A 76 5.159 -14.448 -12.890 1.00 0.00 O ATOM 1123 CB GLU A 76 3.822 -16.779 -12.280 1.00 0.00 C ATOM 1124 CG GLU A 76 3.343 -17.997 -11.487 1.00 0.00 C ATOM 1125 CD GLU A 76 4.279 -19.190 -11.695 1.00 0.00 C ATOM 1126 OE1 GLU A 76 5.484 -19.022 -11.409 1.00 0.00 O ATOM 1127 OE2 GLU A 76 3.767 -20.241 -12.136 1.00 0.00 O ATOM 0 H GLU A 76 1.650 -15.634 -12.657 1.00 0.00 H new ATOM 0 HA GLU A 76 3.476 -15.661 -10.499 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.387 -16.797 -13.279 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.904 -16.823 -12.403 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.294 -17.749 -10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.333 -18.264 -11.798 1.00 0.00 H new ATOM 1134 N ASP A 77 4.407 -13.329 -11.074 1.00 0.00 N ATOM 1135 CA ASP A 77 5.292 -12.193 -11.270 1.00 0.00 C ATOM 1136 C ASP A 77 5.266 -11.311 -10.020 1.00 0.00 C ATOM 1137 O ASP A 77 6.304 -10.819 -9.582 1.00 0.00 O ATOM 1138 CB ASP A 77 4.841 -11.343 -12.459 1.00 0.00 C ATOM 1139 CG ASP A 77 5.495 -11.700 -13.795 1.00 0.00 C ATOM 1140 OD1 ASP A 77 6.692 -12.060 -13.762 1.00 0.00 O ATOM 1141 OD2 ASP A 77 4.784 -11.606 -14.818 1.00 0.00 O ATOM 0 H ASP A 77 3.795 -13.258 -10.261 1.00 0.00 H new ATOM 0 HA ASP A 77 6.295 -12.575 -11.460 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.760 -11.437 -12.564 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.050 -10.296 -12.238 1.00 0.00 H new ATOM 1146 N VAL A 78 4.067 -11.138 -9.482 1.00 0.00 N ATOM 1147 CA VAL A 78 3.892 -10.323 -8.291 1.00 0.00 C ATOM 1148 C VAL A 78 4.429 -11.082 -7.076 1.00 0.00 C ATOM 1149 O VAL A 78 3.921 -12.149 -6.732 1.00 0.00 O ATOM 1150 CB VAL A 78 2.424 -9.920 -8.144 1.00 0.00 C ATOM 1151 CG1 VAL A 78 1.510 -10.900 -8.883 1.00 0.00 C ATOM 1152 CG2 VAL A 78 2.031 -9.809 -6.670 1.00 0.00 C ATOM 0 H VAL A 78 3.208 -11.548 -9.849 1.00 0.00 H new ATOM 0 HA VAL A 78 4.462 -9.398 -8.374 1.00 0.00 H new ATOM 0 HB VAL A 78 2.299 -8.937 -8.599 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.472 -10.591 -8.763 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.766 -10.908 -9.943 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.641 -11.901 -8.471 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.982 -9.521 -6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.180 -10.771 -6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.650 -9.055 -6.184 1.00 0.00 H new ATOM 1162 N THR A 79 5.448 -10.503 -6.459 1.00 0.00 N ATOM 1163 CA THR A 79 6.059 -11.111 -5.289 1.00 0.00 C ATOM 1164 C THR A 79 5.278 -10.741 -4.026 1.00 0.00 C ATOM 1165 O THR A 79 5.413 -11.396 -2.994 1.00 0.00 O ATOM 1166 CB THR A 79 7.526 -10.682 -5.244 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.470 -9.259 -5.195 1.00 0.00 O ATOM 1168 CG2 THR A 79 8.264 -10.980 -6.551 1.00 0.00 C ATOM 0 H THR A 79 5.866 -9.619 -6.747 1.00 0.00 H new ATOM 0 HA THR A 79 6.026 -12.199 -5.346 1.00 0.00 H new ATOM 0 HB THR A 79 8.027 -11.190 -4.420 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.060 -8.977 -4.351 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.301 -10.656 -6.465 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.234 -12.051 -6.750 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.783 -10.445 -7.370 1.00 0.00 H new ATOM 1176 N HIS A 80 4.479 -9.691 -4.150 1.00 0.00 N ATOM 1177 CA HIS A 80 3.677 -9.225 -3.031 1.00 0.00 C ATOM 1178 C HIS A 80 2.319 -8.739 -3.541 1.00 0.00 C ATOM 1179 O HIS A 80 2.218 -8.220 -4.651 1.00 0.00 O ATOM 1180 CB HIS A 80 4.427 -8.157 -2.233 1.00 0.00 C ATOM 1181 CG HIS A 80 5.848 -8.534 -1.885 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.805 -8.817 -2.844 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.462 -8.671 -0.675 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.940 -9.110 -2.228 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.726 -9.020 -0.884 1.00 0.00 N ATOM 0 H HIS A 80 4.370 -9.150 -5.008 1.00 0.00 H new ATOM 0 HA HIS A 80 3.494 -10.049 -2.342 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.438 -7.230 -2.807 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.880 -7.955 -1.312 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.999 -8.521 0.289 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.872 -9.374 -2.706 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.422 -9.192 -0.159 1.00 0.00 H new ATOM 1193 N VAL A 81 1.308 -8.925 -2.704 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.040 -8.513 -3.056 1.00 0.00 C ATOM 1195 C VAL A 81 -0.548 -7.509 -2.020 1.00 0.00 C ATOM 1196 O VAL A 81 -0.683 -7.841 -0.843 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.943 -9.740 -3.193 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.408 -9.327 -3.354 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.493 -10.625 -4.357 1.00 0.00 C ATOM 0 H VAL A 81 1.396 -9.355 -1.783 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.046 -8.012 -4.024 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.857 -10.323 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.029 -10.218 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.723 -8.757 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.517 -8.712 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.152 -11.490 -4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.535 -10.055 -5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.529 -10.961 -4.184 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.816 -6.301 -2.494 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.307 -5.247 -1.624 1.00 0.00 C ATOM 1211 C ILE A 82 -2.830 -5.161 -1.741 1.00 0.00 C ATOM 1212 O ILE A 82 -3.351 -4.601 -2.704 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.592 -3.928 -1.924 1.00 0.00 C ATOM 1214 CG1 ILE A 82 0.927 -4.097 -1.848 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -1.091 -2.811 -1.004 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.426 -3.925 -0.412 1.00 0.00 C ATOM 0 H ILE A 82 -0.702 -6.029 -3.470 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.080 -5.477 -0.583 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.833 -3.635 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.206 -5.084 -2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.411 -3.365 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.566 -1.885 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.162 -2.669 -1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.901 -3.083 0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.508 -4.050 -0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.167 -2.929 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.959 -4.674 0.228 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.500 -5.725 -0.747 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.953 -5.720 -0.727 1.00 0.00 C ATOM 1230 C VAL A 83 -5.444 -4.503 0.060 1.00 0.00 C ATOM 1231 O VAL A 83 -4.964 -4.237 1.161 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.473 -7.045 -0.164 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -7.000 -7.033 -0.058 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.991 -8.226 -1.009 1.00 0.00 C ATOM 0 H VAL A 83 -3.064 -6.188 0.050 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.348 -5.634 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.068 -7.165 0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.344 -7.986 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.312 -6.225 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.432 -6.880 -1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.374 -9.155 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.354 -8.114 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.901 -8.251 -1.011 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.393 -3.796 -0.536 1.00 0.00 N ATOM 1245 CA GLY A 84 -6.953 -2.613 0.095 1.00 0.00 C ATOM 1246 C GLY A 84 -8.257 -2.946 0.823 1.00 0.00 C ATOM 1247 O GLY A 84 -8.353 -2.781 2.038 1.00 0.00 O ATOM 0 H GLY A 84 -6.788 -4.020 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.234 -2.198 0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.138 -1.847 -0.659 1.00 0.00 H new ATOM 1251 N ASP A 85 -9.228 -3.409 0.049 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.522 -3.767 0.605 1.00 0.00 C ATOM 1253 C ASP A 85 -10.719 -5.280 0.495 1.00 0.00 C ATOM 1254 O ASP A 85 -11.272 -5.904 1.399 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.658 -3.085 -0.161 1.00 0.00 C ATOM 1256 CG ASP A 85 -12.758 -2.482 0.714 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -13.521 -3.282 1.298 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -12.811 -1.235 0.780 1.00 0.00 O ATOM 0 H ASP A 85 -9.144 -3.544 -0.959 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.543 -3.443 1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.235 -2.295 -0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.109 -3.813 -0.835 1.00 0.00 H new ATOM 1263 N TYR A 86 -10.255 -5.826 -0.620 1.00 0.00 N ATOM 1264 CA TYR A 86 -10.374 -7.254 -0.859 1.00 0.00 C ATOM 1265 C TYR A 86 -9.586 -7.668 -2.103 1.00 0.00 C ATOM 1266 O TYR A 86 -9.187 -6.821 -2.901 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.861 -7.519 -1.100 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.443 -6.762 -2.295 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -12.067 -7.105 -3.578 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -13.343 -5.737 -2.091 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -12.615 -6.393 -4.703 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -13.891 -5.024 -3.216 1.00 0.00 C ATOM 1273 CZ TYR A 86 -13.499 -5.387 -4.467 1.00 0.00 C ATOM 1274 OH TYR A 86 -14.017 -4.715 -5.529 1.00 0.00 O ATOM 0 H TYR A 86 -9.796 -5.305 -1.367 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.981 -7.819 -0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -12.009 -8.588 -1.253 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -12.418 -7.246 -0.204 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.362 -7.907 -3.738 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.637 -5.469 -1.087 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.330 -6.652 -5.712 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -14.597 -4.220 -3.070 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.635 -4.025 -5.210 1.00 0.00 H new ATOM 1284 N ASP A 87 -9.385 -8.972 -2.230 1.00 0.00 N ATOM 1285 CA ASP A 87 -8.652 -9.509 -3.364 1.00 0.00 C ATOM 1286 C ASP A 87 -9.371 -10.754 -3.887 1.00 0.00 C ATOM 1287 O ASP A 87 -9.196 -11.847 -3.352 1.00 0.00 O ATOM 1288 CB ASP A 87 -7.234 -9.917 -2.960 1.00 0.00 C ATOM 1289 CG ASP A 87 -7.134 -10.685 -1.641 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -7.933 -10.364 -0.735 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -6.260 -11.576 -1.568 1.00 0.00 O ATOM 0 H ASP A 87 -9.717 -9.672 -1.566 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.600 -8.735 -4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.809 -10.531 -3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.620 -9.019 -2.888 1.00 0.00 H new ATOM 1296 N ASP A 88 -10.166 -10.546 -4.928 1.00 0.00 N ATOM 1297 CA ASP A 88 -10.912 -11.638 -5.529 1.00 0.00 C ATOM 1298 C ASP A 88 -10.032 -12.344 -6.562 1.00 0.00 C ATOM 1299 O ASP A 88 -10.131 -13.557 -6.743 1.00 0.00 O ATOM 1300 CB ASP A 88 -12.161 -11.122 -6.246 1.00 0.00 C ATOM 1301 CG ASP A 88 -13.087 -10.256 -5.389 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -13.109 -10.491 -4.162 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -13.753 -9.380 -5.981 1.00 0.00 O ATOM 0 H ASP A 88 -10.309 -9.638 -5.370 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.209 -12.322 -4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.849 -10.544 -7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.727 -11.976 -6.617 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.190 -11.554 -7.214 1.00 0.00 N ATOM 1309 CA GLU A 89 -8.293 -12.088 -8.224 1.00 0.00 C ATOM 1310 C GLU A 89 -7.333 -13.103 -7.599 1.00 0.00 C ATOM 1311 O GLU A 89 -7.038 -14.135 -8.198 1.00 0.00 O ATOM 1312 CB GLU A 89 -7.525 -10.966 -8.924 1.00 0.00 C ATOM 1313 CG GLU A 89 -6.097 -11.403 -9.257 1.00 0.00 C ATOM 1314 CD GLU A 89 -6.098 -12.567 -10.251 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -7.059 -12.631 -11.048 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -5.138 -13.365 -10.191 1.00 0.00 O ATOM 0 H GLU A 89 -9.111 -10.549 -7.062 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.891 -12.600 -8.978 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.044 -10.681 -9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.499 -10.084 -8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.544 -10.562 -9.676 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.581 -11.700 -8.344 1.00 0.00 H new ATOM 1323 N LEU A 90 -6.872 -12.773 -6.401 1.00 0.00 N ATOM 1324 CA LEU A 90 -5.951 -13.642 -5.688 1.00 0.00 C ATOM 1325 C LEU A 90 -6.485 -15.075 -5.717 1.00 0.00 C ATOM 1326 O LEU A 90 -5.832 -15.974 -6.245 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.695 -13.109 -4.277 1.00 0.00 C ATOM 1328 CG LEU A 90 -4.457 -13.660 -3.567 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.612 -14.509 -4.517 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -3.644 -12.531 -2.929 1.00 0.00 C ATOM 0 H LEU A 90 -7.119 -11.916 -5.906 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.978 -13.653 -6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.606 -12.024 -4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.569 -13.327 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.788 -14.314 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.738 -14.888 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.206 -15.346 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.288 -13.899 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.769 -12.949 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.322 -11.833 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.261 -12.006 -2.200 1.00 0.00 H new ATOM 1342 N LYS A 91 -7.666 -15.245 -5.141 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.295 -16.554 -5.094 1.00 0.00 C ATOM 1344 C LYS A 91 -8.133 -17.242 -6.451 1.00 0.00 C ATOM 1345 O LYS A 91 -7.834 -18.433 -6.515 1.00 0.00 O ATOM 1346 CB LYS A 91 -9.749 -16.433 -4.634 1.00 0.00 C ATOM 1347 CG LYS A 91 -9.829 -16.189 -3.126 1.00 0.00 C ATOM 1348 CD LYS A 91 -11.233 -15.739 -2.717 1.00 0.00 C ATOM 1349 CE LYS A 91 -11.185 -14.862 -1.464 1.00 0.00 C ATOM 1350 NZ LYS A 91 -11.455 -13.448 -1.810 1.00 0.00 N ATOM 0 H LYS A 91 -8.204 -14.498 -4.703 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.803 -17.187 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.235 -15.614 -5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.291 -17.344 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.566 -17.102 -2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.102 -15.430 -2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.694 -15.186 -3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.859 -16.612 -2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.920 -15.212 -0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.207 -14.946 -0.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.603 -12.900 -0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.644 -13.057 -2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.307 -13.392 -2.403 1.00 0.00 H new ATOM 1364 N GLN A 92 -8.339 -16.462 -7.502 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.220 -16.981 -8.854 1.00 0.00 C ATOM 1366 C GLN A 92 -6.781 -17.421 -9.129 1.00 0.00 C ATOM 1367 O GLN A 92 -6.550 -18.516 -9.640 1.00 0.00 O ATOM 1368 CB GLN A 92 -8.683 -15.946 -9.881 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.027 -15.336 -9.479 1.00 0.00 C ATOM 1370 CD GLN A 92 -11.131 -15.753 -10.453 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -11.310 -15.175 -11.513 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -11.860 -16.785 -10.036 1.00 0.00 N ATOM 0 H GLN A 92 -8.588 -15.474 -7.445 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.869 -17.852 -8.947 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.935 -15.158 -9.971 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.771 -16.415 -10.861 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.288 -15.655 -8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -9.946 -14.249 -9.459 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.657 -17.223 -9.138 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.622 -17.138 -10.615 1.00 0.00 H new ATOM 1381 N PHE A 93 -5.851 -16.546 -8.777 1.00 0.00 N ATOM 1382 CA PHE A 93 -4.440 -16.831 -8.980 1.00 0.00 C ATOM 1383 C PHE A 93 -4.022 -18.093 -8.222 1.00 0.00 C ATOM 1384 O PHE A 93 -3.001 -18.702 -8.540 1.00 0.00 O ATOM 1385 CB PHE A 93 -3.659 -15.636 -8.428 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.140 -15.802 -8.496 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -1.543 -16.134 -9.672 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -1.385 -15.618 -7.379 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.133 -16.287 -9.735 1.00 0.00 C ATOM 1390 CE2 PHE A 93 0.025 -15.772 -7.442 1.00 0.00 C ATOM 1391 CZ PHE A 93 0.621 -16.103 -8.619 1.00 0.00 C ATOM 0 H PHE A 93 -6.046 -15.639 -8.353 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.241 -16.993 -10.039 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.942 -14.742 -8.984 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -3.950 -15.472 -7.391 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.142 -16.281 -10.559 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.858 -15.355 -6.445 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.341 -16.550 -10.669 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.624 -15.626 -6.555 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.694 -16.220 -8.667 1.00 0.00 H new ATOM 1401 N TRP A 94 -4.831 -18.448 -7.235 1.00 0.00 N ATOM 1402 CA TRP A 94 -4.558 -19.626 -6.430 1.00 0.00 C ATOM 1403 C TRP A 94 -5.067 -20.849 -7.195 1.00 0.00 C ATOM 1404 O TRP A 94 -4.655 -21.975 -6.917 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.174 -19.493 -5.036 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.355 -18.630 -4.074 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -3.037 -18.388 -4.100 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -4.857 -17.899 -2.935 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.654 -17.559 -3.065 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -3.796 -17.252 -2.335 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -6.164 -17.788 -2.429 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -3.933 -16.449 -1.196 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -6.284 -16.983 -1.291 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -5.227 -16.324 -0.674 1.00 0.00 C ATOM 0 H TRP A 94 -5.676 -17.940 -6.974 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.487 -19.740 -6.264 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.173 -19.066 -5.130 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.292 -20.487 -4.605 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.360 -18.791 -4.838 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.707 -17.232 -2.872 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -7.009 -18.285 -2.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -3.087 -15.953 -0.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.268 -16.865 -0.861 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -5.402 -15.719 0.203 1.00 0.00 H new ATOM 1425 N ASN A 95 -5.956 -20.588 -8.142 1.00 0.00 N ATOM 1426 CA ASN A 95 -6.526 -21.654 -8.948 1.00 0.00 C ATOM 1427 C ASN A 95 -5.930 -21.597 -10.356 1.00 0.00 C ATOM 1428 O ASN A 95 -6.389 -22.298 -11.257 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.043 -21.501 -9.070 1.00 0.00 C ATOM 1430 CG ASN A 95 -8.758 -22.796 -8.681 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -8.435 -23.443 -7.697 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -9.745 -23.139 -9.504 1.00 0.00 N ATOM 0 H ASN A 95 -6.296 -19.653 -8.369 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.297 -22.603 -8.463 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.383 -20.687 -8.429 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.304 -21.231 -10.093 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.283 -23.988 -9.329 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.964 -22.553 -10.310 1.00 0.00 H new ATOM 1439 N LYS A 96 -4.918 -20.755 -10.502 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.255 -20.597 -11.785 1.00 0.00 C ATOM 1441 C LYS A 96 -2.843 -21.180 -11.700 1.00 0.00 C ATOM 1442 O LYS A 96 -2.613 -22.318 -12.106 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.289 -19.133 -12.230 1.00 0.00 C ATOM 1444 CG LYS A 96 -5.718 -18.692 -12.553 1.00 0.00 C ATOM 1445 CD LYS A 96 -5.768 -17.920 -13.874 1.00 0.00 C ATOM 1446 CE LYS A 96 -6.769 -18.554 -14.842 1.00 0.00 C ATOM 1447 NZ LYS A 96 -6.068 -19.414 -15.822 1.00 0.00 N ATOM 0 H LYS A 96 -4.541 -20.175 -9.753 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.785 -21.154 -12.558 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.878 -18.500 -11.443 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.657 -19.001 -13.108 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.367 -19.566 -12.613 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.100 -18.066 -11.747 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.047 -16.884 -13.683 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.777 -17.905 -14.328 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.497 -19.145 -14.286 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.323 -17.774 -15.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.762 -19.837 -16.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.390 -18.841 -16.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.559 -20.169 -15.320 1.00 0.00 H new ATOM 1461 N SER A 97 -1.935 -20.374 -11.170 1.00 0.00 N ATOM 1462 CA SER A 97 -0.552 -20.797 -11.026 1.00 0.00 C ATOM 1463 C SER A 97 -0.255 -21.127 -9.562 1.00 0.00 C ATOM 1464 O SER A 97 -0.954 -20.662 -8.663 1.00 0.00 O ATOM 1465 CB SER A 97 0.408 -19.719 -11.533 1.00 0.00 C ATOM 1466 OG SER A 97 0.367 -19.592 -12.952 1.00 0.00 O ATOM 0 H SER A 97 -2.130 -19.430 -10.835 1.00 0.00 H new ATOM 0 HA SER A 97 -0.403 -21.692 -11.630 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.153 -18.763 -11.076 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.423 -19.962 -11.220 1.00 0.00 H new ATOM 0 HG SER A 97 0.725 -18.718 -13.213 1.00 0.00 H new ATOM 1472 N ALA A 98 0.783 -21.927 -9.368 1.00 0.00 N ATOM 1473 CA ALA A 98 1.181 -22.325 -8.029 1.00 0.00 C ATOM 1474 C ALA A 98 2.158 -21.291 -7.464 1.00 0.00 C ATOM 1475 O ALA A 98 3.354 -21.343 -7.747 1.00 0.00 O ATOM 1476 CB ALA A 98 1.781 -23.732 -8.071 1.00 0.00 C ATOM 0 H ALA A 98 1.361 -22.310 -10.116 1.00 0.00 H new ATOM 0 HA ALA A 98 0.317 -22.359 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.080 -24.030 -7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.038 -24.433 -8.452 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.653 -23.736 -8.725 1.00 0.00 H new ATOM 1482 N HIS A 99 1.612 -20.377 -6.675 1.00 0.00 N ATOM 1483 CA HIS A 99 2.420 -19.333 -6.068 1.00 0.00 C ATOM 1484 C HIS A 99 1.611 -18.626 -4.980 1.00 0.00 C ATOM 1485 O HIS A 99 0.473 -18.221 -5.211 1.00 0.00 O ATOM 1486 CB HIS A 99 2.953 -18.371 -7.132 1.00 0.00 C ATOM 1487 CG HIS A 99 3.735 -17.207 -6.571 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.964 -17.358 -5.953 1.00 0.00 N ATOM 1489 CD2 HIS A 99 3.450 -15.874 -6.541 1.00 0.00 C ATOM 1490 CE1 HIS A 99 5.391 -16.163 -5.572 1.00 0.00 C ATOM 1491 NE2 HIS A 99 4.451 -15.244 -5.937 1.00 0.00 N ATOM 0 H HIS A 99 0.620 -20.338 -6.442 1.00 0.00 H new ATOM 0 HA HIS A 99 3.295 -19.775 -5.591 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.590 -18.925 -7.822 1.00 0.00 H new ATOM 0 HB3 HIS A 99 2.114 -17.986 -7.712 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.561 -15.409 -6.941 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.320 -15.953 -5.062 1.00 0.00 H new ATOM 0 HE2 HIS A 99 4.508 -14.239 -5.773 1.00 0.00 H new ATOM 1499 N ARG A 100 2.231 -18.498 -3.815 1.00 0.00 N ATOM 1500 CA ARG A 100 1.583 -17.847 -2.690 1.00 0.00 C ATOM 1501 C ARG A 100 2.324 -16.560 -2.323 1.00 0.00 C ATOM 1502 O ARG A 100 3.290 -16.592 -1.561 1.00 0.00 O ATOM 1503 CB ARG A 100 1.539 -18.769 -1.470 1.00 0.00 C ATOM 1504 CG ARG A 100 0.192 -18.665 -0.752 1.00 0.00 C ATOM 1505 CD ARG A 100 0.076 -17.342 0.007 1.00 0.00 C ATOM 1506 NE ARG A 100 0.950 -17.365 1.202 1.00 0.00 N ATOM 1507 CZ ARG A 100 1.107 -16.330 2.038 1.00 0.00 C ATOM 1508 NH1 ARG A 100 0.450 -15.183 1.815 1.00 0.00 N ATOM 1509 NH2 ARG A 100 1.921 -16.441 3.096 1.00 0.00 N ATOM 0 H ARG A 100 3.175 -18.834 -3.627 1.00 0.00 H new ATOM 0 HA ARG A 100 0.562 -17.610 -2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.710 -19.799 -1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.343 -18.507 -0.782 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.618 -18.744 -1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.081 -19.498 -0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.358 -16.514 -0.644 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.959 -17.175 0.306 1.00 0.00 H new ATOM 0 HE ARG A 100 1.465 -18.223 1.401 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.169 -15.098 1.009 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.569 -14.395 2.451 1.00 0.00 H new ATOM 0 HH21 ARG A 100 2.421 -17.314 3.265 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.040 -15.653 3.732 1.00 0.00 H new ATOM 1523 N PRO A 101 1.832 -15.429 -2.896 1.00 0.00 N ATOM 1524 CA PRO A 101 2.438 -14.134 -2.636 1.00 0.00 C ATOM 1525 C PRO A 101 2.072 -13.627 -1.240 1.00 0.00 C ATOM 1526 O PRO A 101 1.352 -14.298 -0.501 1.00 0.00 O ATOM 1527 CB PRO A 101 1.928 -13.232 -3.748 1.00 0.00 C ATOM 1528 CG PRO A 101 0.699 -13.923 -4.316 1.00 0.00 C ATOM 1529 CD PRO A 101 0.690 -15.353 -3.802 1.00 0.00 C ATOM 0 HA PRO A 101 3.527 -14.171 -2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.677 -12.243 -3.364 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.688 -13.093 -4.517 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.208 -13.402 -4.010 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.722 -13.909 -5.406 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.242 -15.582 -3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.785 -16.068 -4.619 1.00 0.00 H new ATOM 1537 N HIS A 102 2.584 -12.448 -0.920 1.00 0.00 N ATOM 1538 CA HIS A 102 2.320 -11.844 0.375 1.00 0.00 C ATOM 1539 C HIS A 102 1.098 -10.928 0.274 1.00 0.00 C ATOM 1540 O HIS A 102 1.138 -9.907 -0.411 1.00 0.00 O ATOM 1541 CB HIS A 102 3.561 -11.121 0.900 1.00 0.00 C ATOM 1542 CG HIS A 102 4.792 -11.992 0.980 1.00 0.00 C ATOM 1543 ND1 HIS A 102 5.980 -11.919 0.313 1.00 0.00 N flip ATOM 1544 CD2 HIS A 102 4.883 -13.086 1.822 1.00 0.00 C flip ATOM 1545 CE1 HIS A 102 6.755 -12.914 0.727 1.00 0.00 C flip ATOM 1546 NE2 HIS A 102 6.076 -13.639 1.662 1.00 0.00 N flip ATOM 0 H HIS A 102 3.180 -11.895 -1.535 1.00 0.00 H new ATOM 0 HA HIS A 102 2.089 -12.622 1.103 1.00 0.00 H new ATOM 0 HB2 HIS A 102 3.773 -10.269 0.254 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.345 -10.723 1.892 1.00 0.00 H new ATOM 0 HD2 HIS A 102 4.112 -13.431 2.495 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.758 -13.116 0.381 1.00 0.00 H new ATOM 0 HE2 HIS A 102 6.426 -14.462 2.152 1.00 0.00 H new ATOM 1554 N VAL A 103 0.042 -11.326 0.967 1.00 0.00 N ATOM 1555 CA VAL A 103 -1.189 -10.554 0.964 1.00 0.00 C ATOM 1556 C VAL A 103 -1.182 -9.587 2.150 1.00 0.00 C ATOM 1557 O VAL A 103 -1.491 -9.976 3.275 1.00 0.00 O ATOM 1558 CB VAL A 103 -2.397 -11.494 0.967 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -3.703 -10.708 0.838 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -2.277 -12.543 -0.140 1.00 0.00 C ATOM 0 H VAL A 103 0.013 -12.173 1.535 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.262 -9.955 0.056 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.413 -12.016 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.546 -11.399 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.796 -10.017 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.699 -10.147 -0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.148 -13.198 -0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.224 -12.046 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.374 -13.134 0.015 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.827 -8.345 1.857 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.776 -7.319 2.885 1.00 0.00 C ATOM 1572 C VAL A 104 -1.534 -6.081 2.402 1.00 0.00 C ATOM 1573 O VAL A 104 -2.022 -6.048 1.274 1.00 0.00 O ATOM 1574 CB VAL A 104 0.679 -7.022 3.256 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.398 -8.292 3.715 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.419 -6.364 2.089 1.00 0.00 C ATOM 0 H VAL A 104 -0.572 -8.026 0.923 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.266 -7.666 3.795 1.00 0.00 H new ATOM 0 HB VAL A 104 0.676 -6.319 4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.430 -8.053 3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.891 -8.701 4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.386 -9.028 2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.450 -6.163 2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.407 -7.032 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.927 -5.427 1.828 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.609 -5.092 3.281 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.300 -3.855 2.959 1.00 0.00 C ATOM 1588 C GLY A 105 -1.307 -2.757 2.574 1.00 0.00 C ATOM 1589 O GLY A 105 -0.170 -2.752 3.041 1.00 0.00 O ATOM 0 H GLY A 105 -1.202 -5.122 4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.995 -4.026 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.892 -3.531 3.815 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.774 -1.853 1.725 1.00 0.00 N ATOM 1594 CA ALA A 106 -0.941 -0.752 1.272 1.00 0.00 C ATOM 1595 C ALA A 106 -0.193 -0.158 2.467 1.00 0.00 C ATOM 1596 O ALA A 106 0.971 0.223 2.349 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.809 0.284 0.555 1.00 0.00 C ATOM 0 H ALA A 106 -2.718 -1.861 1.339 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.196 -1.104 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.184 1.110 0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.295 -0.180 -0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.567 0.661 1.241 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.891 -0.099 3.592 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.307 0.442 4.808 1.00 0.00 C ATOM 1605 C LYS A 107 1.155 0.002 4.905 1.00 0.00 C ATOM 1606 O LYS A 107 2.039 0.823 5.147 1.00 0.00 O ATOM 1607 CB LYS A 107 -1.149 0.053 6.025 1.00 0.00 C ATOM 1608 CG LYS A 107 -1.144 1.167 7.073 1.00 0.00 C ATOM 1609 CD LYS A 107 -2.255 0.956 8.103 1.00 0.00 C ATOM 1610 CE LYS A 107 -1.763 1.280 9.515 1.00 0.00 C ATOM 1611 NZ LYS A 107 -2.822 0.999 10.510 1.00 0.00 N ATOM 0 H LYS A 107 -1.856 -0.417 3.687 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.311 1.532 4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.173 -0.153 5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.759 -0.865 6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.177 1.194 7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.275 2.132 6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.108 1.588 7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.602 -0.077 8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.876 0.688 9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.470 2.328 9.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.472 1.224 11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.658 1.582 10.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.082 -0.007 10.466 1.00 0.00 H new ATOM 1625 N TRP A 108 1.365 -1.292 4.712 1.00 0.00 N ATOM 1626 CA TRP A 108 2.705 -1.850 4.776 1.00 0.00 C ATOM 1627 C TRP A 108 3.585 -1.081 3.788 1.00 0.00 C ATOM 1628 O TRP A 108 4.590 -0.490 4.177 1.00 0.00 O ATOM 1629 CB TRP A 108 2.684 -3.357 4.510 1.00 0.00 C ATOM 1630 CG TRP A 108 4.044 -3.939 4.119 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.014 -4.384 4.929 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.547 -4.122 2.779 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.102 -4.838 4.211 1.00 0.00 N ATOM 1634 CE2 TRP A 108 5.809 -4.674 2.863 1.00 0.00 C ATOM 1635 CE3 TRP A 108 3.956 -3.830 1.537 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.587 -4.982 1.740 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 4.746 -4.144 0.425 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.019 -4.700 0.492 1.00 0.00 C ATOM 0 H TRP A 108 0.630 -1.970 4.511 1.00 0.00 H new ATOM 0 HA TRP A 108 3.123 -1.736 5.776 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.325 -3.868 5.403 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.969 -3.565 3.714 1.00 0.00 H new ATOM 0 HD1 TRP A 108 4.952 -4.387 6.007 1.00 0.00 H new ATOM 0 HE1 TRP A 108 6.963 -5.223 4.599 1.00 0.00 H new ATOM 0 HE3 TRP A 108 2.970 -3.398 1.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.573 -5.414 1.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.338 -3.940 -0.554 1.00 0.00 H new ATOM 0 HH2 TRP A 108 6.567 -4.913 -0.414 1.00 0.00 H new ATOM 1649 N LEU A 109 3.174 -1.114 2.529 1.00 0.00 N ATOM 1650 CA LEU A 109 3.912 -0.428 1.483 1.00 0.00 C ATOM 1651 C LEU A 109 4.295 0.971 1.969 1.00 0.00 C ATOM 1652 O LEU A 109 5.436 1.400 1.801 1.00 0.00 O ATOM 1653 CB LEU A 109 3.116 -0.428 0.176 1.00 0.00 C ATOM 1654 CG LEU A 109 3.844 -0.974 -1.054 1.00 0.00 C ATOM 1655 CD1 LEU A 109 3.209 -0.453 -2.344 1.00 0.00 C ATOM 1656 CD2 LEU A 109 5.341 -0.664 -0.986 1.00 0.00 C ATOM 0 H LEU A 109 2.339 -1.605 2.210 1.00 0.00 H new ATOM 0 HA LEU A 109 4.840 -0.956 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.209 -1.014 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.804 0.595 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 109 3.739 -2.059 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.746 -0.856 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.166 -0.766 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.262 0.636 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.836 -1.063 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.487 0.415 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.768 -1.124 -0.094 1.00 0.00 H new ATOM 1668 N LEU A 110 3.320 1.645 2.561 1.00 0.00 N ATOM 1669 CA LEU A 110 3.541 2.987 3.073 1.00 0.00 C ATOM 1670 C LEU A 110 4.717 2.968 4.050 1.00 0.00 C ATOM 1671 O LEU A 110 5.747 3.593 3.800 1.00 0.00 O ATOM 1672 CB LEU A 110 2.251 3.550 3.673 1.00 0.00 C ATOM 1673 CG LEU A 110 1.012 3.490 2.777 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.211 4.064 3.495 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.269 4.185 1.439 1.00 0.00 C ATOM 0 H LEU A 110 2.375 1.287 2.698 1.00 0.00 H new ATOM 0 HA LEU A 110 3.811 3.665 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.035 3.008 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.426 4.590 3.948 1.00 0.00 H new ATOM 0 HG LEU A 110 0.797 2.444 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.078 4.010 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.405 3.488 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.022 5.104 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.373 4.128 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.523 5.230 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.095 3.693 0.926 1.00 0.00 H new ATOM 1687 N GLU A 111 4.525 2.245 5.144 1.00 0.00 N ATOM 1688 CA GLU A 111 5.558 2.136 6.160 1.00 0.00 C ATOM 1689 C GLU A 111 6.912 1.841 5.512 1.00 0.00 C ATOM 1690 O GLU A 111 7.928 2.417 5.899 1.00 0.00 O ATOM 1691 CB GLU A 111 5.200 1.067 7.194 1.00 0.00 C ATOM 1692 CG GLU A 111 3.818 1.327 7.797 1.00 0.00 C ATOM 1693 CD GLU A 111 3.923 1.648 9.289 1.00 0.00 C ATOM 1694 OE1 GLU A 111 4.852 1.102 9.923 1.00 0.00 O ATOM 1695 OE2 GLU A 111 3.071 2.430 9.763 1.00 0.00 O ATOM 0 H GLU A 111 3.669 1.729 5.349 1.00 0.00 H new ATOM 0 HA GLU A 111 5.628 3.090 6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.217 0.083 6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.950 1.056 7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.340 2.156 7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.184 0.452 7.653 1.00 0.00 H new ATOM 1702 N CYS A 112 6.883 0.945 4.537 1.00 0.00 N ATOM 1703 CA CYS A 112 8.095 0.566 3.831 1.00 0.00 C ATOM 1704 C CYS A 112 8.802 1.843 3.371 1.00 0.00 C ATOM 1705 O CYS A 112 10.014 1.978 3.531 1.00 0.00 O ATOM 1706 CB CYS A 112 7.799 -0.375 2.662 1.00 0.00 C ATOM 1707 SG CYS A 112 6.875 -1.839 3.256 1.00 0.00 S ATOM 0 H CYS A 112 6.038 0.470 4.219 1.00 0.00 H new ATOM 0 HA CYS A 112 8.750 0.010 4.502 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.219 0.148 1.902 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.731 -0.689 2.192 1.00 0.00 H new ATOM 0 HG CYS A 112 5.925 -1.457 4.058 1.00 0.00 H new ATOM 1713 N PHE A 113 8.013 2.747 2.809 1.00 0.00 N ATOM 1714 CA PHE A 113 8.548 4.008 2.324 1.00 0.00 C ATOM 1715 C PHE A 113 8.778 4.986 3.479 1.00 0.00 C ATOM 1716 O PHE A 113 9.844 5.591 3.581 1.00 0.00 O ATOM 1717 CB PHE A 113 7.507 4.599 1.371 1.00 0.00 C ATOM 1718 CG PHE A 113 7.503 3.959 -0.019 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.530 4.195 -0.879 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.473 3.155 -0.394 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.526 3.601 -2.169 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.469 2.562 -1.684 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.495 2.797 -2.545 1.00 0.00 C ATOM 0 H PHE A 113 7.008 2.631 2.679 1.00 0.00 H new ATOM 0 HA PHE A 113 9.504 3.840 1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.518 4.487 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.690 5.668 1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.348 4.834 -0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.658 2.967 0.289 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.342 3.788 -2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 113 5.650 1.924 -1.982 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.491 2.346 -3.526 1.00 0.00 H new ATOM 1733 N SER A 114 7.761 5.110 4.318 1.00 0.00 N ATOM 1734 CA SER A 114 7.838 6.004 5.461 1.00 0.00 C ATOM 1735 C SER A 114 9.075 5.675 6.300 1.00 0.00 C ATOM 1736 O SER A 114 9.715 6.571 6.847 1.00 0.00 O ATOM 1737 CB SER A 114 6.575 5.912 6.319 1.00 0.00 C ATOM 1738 OG SER A 114 6.515 6.949 7.294 1.00 0.00 O ATOM 0 H SER A 114 6.879 4.606 4.229 1.00 0.00 H new ATOM 0 HA SER A 114 7.919 7.026 5.091 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.696 5.967 5.677 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.545 4.943 6.818 1.00 0.00 H new ATOM 0 HG SER A 114 5.783 6.767 7.920 1.00 0.00 H new ATOM 1744 N LYS A 115 9.374 4.386 6.375 1.00 0.00 N ATOM 1745 CA LYS A 115 10.522 3.928 7.138 1.00 0.00 C ATOM 1746 C LYS A 115 11.781 4.048 6.277 1.00 0.00 C ATOM 1747 O LYS A 115 12.886 4.183 6.802 1.00 0.00 O ATOM 1748 CB LYS A 115 10.278 2.517 7.678 1.00 0.00 C ATOM 1749 CG LYS A 115 8.890 2.405 8.312 1.00 0.00 C ATOM 1750 CD LYS A 115 8.981 2.440 9.839 1.00 0.00 C ATOM 1751 CE LYS A 115 8.266 1.238 10.459 1.00 0.00 C ATOM 1752 NZ LYS A 115 7.997 1.478 11.894 1.00 0.00 N ATOM 0 H LYS A 115 8.841 3.645 5.920 1.00 0.00 H new ATOM 0 HA LYS A 115 10.673 4.558 8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.372 1.793 6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.040 2.270 8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.260 3.223 7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.414 1.477 7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.027 2.442 10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.538 3.363 10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.329 1.054 9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.878 0.344 10.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.511 0.652 12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 8.896 1.631 12.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.395 2.319 11.998 1.00 0.00 H new ATOM 1766 N GLY A 116 11.573 3.993 4.970 1.00 0.00 N ATOM 1767 CA GLY A 116 12.678 4.094 4.032 1.00 0.00 C ATOM 1768 C GLY A 116 13.200 2.708 3.647 1.00 0.00 C ATOM 1769 O GLY A 116 13.958 2.570 2.689 1.00 0.00 O ATOM 0 H GLY A 116 10.656 3.880 4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.353 4.625 3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.483 4.680 4.475 1.00 0.00 H new ATOM 1773 N TYR A 117 12.772 1.716 4.415 1.00 0.00 N ATOM 1774 CA TYR A 117 13.187 0.346 4.167 1.00 0.00 C ATOM 1775 C TYR A 117 12.007 -0.618 4.309 1.00 0.00 C ATOM 1776 O TYR A 117 11.181 -0.467 5.209 1.00 0.00 O ATOM 1777 CB TYR A 117 14.228 0.019 5.240 1.00 0.00 C ATOM 1778 CG TYR A 117 13.629 -0.474 6.559 1.00 0.00 C ATOM 1779 CD1 TYR A 117 12.941 0.402 7.374 1.00 0.00 C ATOM 1780 CD2 TYR A 117 13.776 -1.794 6.933 1.00 0.00 C ATOM 1781 CE1 TYR A 117 12.377 -0.062 8.616 1.00 0.00 C ATOM 1782 CE2 TYR A 117 13.213 -2.258 8.174 1.00 0.00 C ATOM 1783 CZ TYR A 117 12.541 -1.369 8.954 1.00 0.00 C ATOM 1784 OH TYR A 117 12.009 -1.807 10.127 1.00 0.00 O ATOM 0 H TYR A 117 12.142 1.834 5.209 1.00 0.00 H new ATOM 0 HA TYR A 117 13.581 0.242 3.156 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.906 -0.742 4.854 1.00 0.00 H new ATOM 0 HB3 TYR A 117 14.826 0.909 5.435 1.00 0.00 H new ATOM 0 HD1 TYR A 117 12.825 1.435 7.081 1.00 0.00 H new ATOM 0 HD2 TYR A 117 14.314 -2.479 6.294 1.00 0.00 H new ATOM 0 HE1 TYR A 117 11.837 0.613 9.264 1.00 0.00 H new ATOM 0 HE2 TYR A 117 13.322 -3.288 8.479 1.00 0.00 H new ATOM 0 HH TYR A 117 12.203 -2.761 10.238 1.00 0.00 H new ATOM 1794 N MET A 118 11.964 -1.587 3.407 1.00 0.00 N ATOM 1795 CA MET A 118 10.899 -2.575 3.420 1.00 0.00 C ATOM 1796 C MET A 118 10.777 -3.233 4.796 1.00 0.00 C ATOM 1797 O MET A 118 11.784 -3.524 5.440 1.00 0.00 O ATOM 1798 CB MET A 118 11.183 -3.647 2.365 1.00 0.00 C ATOM 1799 CG MET A 118 10.950 -3.103 0.954 1.00 0.00 C ATOM 1800 SD MET A 118 11.441 -4.319 -0.257 1.00 0.00 S ATOM 1801 CE MET A 118 10.052 -5.435 -0.157 1.00 0.00 C ATOM 0 H MET A 118 12.650 -1.709 2.662 1.00 0.00 H new ATOM 0 HA MET A 118 9.959 -2.071 3.195 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.213 -3.992 2.460 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.540 -4.510 2.536 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.898 -2.850 0.822 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.519 -2.184 0.811 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.405 -6.433 0.104 1.00 0.00 H new ATOM 0 HE2 MET A 118 9.358 -5.084 0.606 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.544 -5.471 -1.121 1.00 0.00 H new ATOM 1811 N LEU A 119 9.536 -3.448 5.206 1.00 0.00 N ATOM 1812 CA LEU A 119 9.270 -4.065 6.494 1.00 0.00 C ATOM 1813 C LEU A 119 8.571 -5.408 6.276 1.00 0.00 C ATOM 1814 O LEU A 119 8.280 -5.784 5.142 1.00 0.00 O ATOM 1815 CB LEU A 119 8.492 -3.106 7.398 1.00 0.00 C ATOM 1816 CG LEU A 119 8.725 -1.614 7.152 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.543 -0.784 7.654 1.00 0.00 C ATOM 1818 CD2 LEU A 119 10.049 -1.158 7.768 1.00 0.00 C ATOM 0 H LEU A 119 8.703 -3.206 4.669 1.00 0.00 H new ATOM 0 HA LEU A 119 10.204 -4.272 7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.428 -3.311 7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.748 -3.327 8.434 1.00 0.00 H new ATOM 0 HG LEU A 119 8.797 -1.452 6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.735 0.273 7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.637 -1.087 7.129 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.414 -0.945 8.724 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.191 -0.094 7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 119 10.031 -1.336 8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.870 -1.718 7.321 1.00 0.00 H new ATOM 1830 N SER A 120 8.321 -6.096 7.381 1.00 0.00 N ATOM 1831 CA SER A 120 7.661 -7.389 7.325 1.00 0.00 C ATOM 1832 C SER A 120 6.199 -7.213 6.912 1.00 0.00 C ATOM 1833 O SER A 120 5.577 -6.202 7.233 1.00 0.00 O ATOM 1834 CB SER A 120 7.750 -8.111 8.671 1.00 0.00 C ATOM 1835 OG SER A 120 9.082 -8.138 9.176 1.00 0.00 O ATOM 0 H SER A 120 8.564 -5.782 8.320 1.00 0.00 H new ATOM 0 HA SER A 120 8.170 -8.001 6.581 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.099 -7.616 9.392 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.384 -9.132 8.560 1.00 0.00 H new ATOM 0 HG SER A 120 9.096 -8.606 10.037 1.00 0.00 H new ATOM 1841 N GLU A 121 5.692 -8.213 6.206 1.00 0.00 N ATOM 1842 CA GLU A 121 4.314 -8.182 5.746 1.00 0.00 C ATOM 1843 C GLU A 121 3.418 -8.977 6.698 1.00 0.00 C ATOM 1844 O GLU A 121 2.215 -8.735 6.772 1.00 0.00 O ATOM 1845 CB GLU A 121 4.202 -8.712 4.316 1.00 0.00 C ATOM 1846 CG GLU A 121 5.526 -9.323 3.852 1.00 0.00 C ATOM 1847 CD GLU A 121 5.738 -10.707 4.468 1.00 0.00 C ATOM 1848 OE1 GLU A 121 4.751 -11.473 4.496 1.00 0.00 O ATOM 1849 OE2 GLU A 121 6.882 -10.967 4.898 1.00 0.00 O ATOM 0 H GLU A 121 6.211 -9.050 5.941 1.00 0.00 H new ATOM 0 HA GLU A 121 3.976 -7.146 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.413 -9.462 4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.917 -7.902 3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.534 -9.400 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.351 -8.667 4.131 1.00 0.00 H new ATOM 1856 N GLU A 122 4.040 -9.911 7.403 1.00 0.00 N ATOM 1857 CA GLU A 122 3.314 -10.743 8.347 1.00 0.00 C ATOM 1858 C GLU A 122 2.439 -9.877 9.255 1.00 0.00 C ATOM 1859 O GLU A 122 1.261 -10.170 9.451 1.00 0.00 O ATOM 1860 CB GLU A 122 4.275 -11.604 9.171 1.00 0.00 C ATOM 1861 CG GLU A 122 4.586 -12.919 8.452 1.00 0.00 C ATOM 1862 CD GLU A 122 4.239 -14.121 9.334 1.00 0.00 C ATOM 1863 OE1 GLU A 122 3.029 -14.312 9.581 1.00 0.00 O ATOM 1864 OE2 GLU A 122 5.192 -14.820 9.740 1.00 0.00 O ATOM 0 H GLU A 122 5.038 -10.110 7.339 1.00 0.00 H new ATOM 0 HA GLU A 122 2.666 -11.415 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.200 -11.055 9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.836 -11.814 10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 122 4.021 -12.971 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.643 -12.951 8.186 1.00 0.00 H new ATOM 1871 N PRO A 123 3.065 -8.799 9.799 1.00 0.00 N ATOM 1872 CA PRO A 123 2.356 -7.888 10.682 1.00 0.00 C ATOM 1873 C PRO A 123 1.411 -6.983 9.890 1.00 0.00 C ATOM 1874 O PRO A 123 0.774 -6.097 10.457 1.00 0.00 O ATOM 1875 CB PRO A 123 3.446 -7.118 11.409 1.00 0.00 C ATOM 1876 CG PRO A 123 4.707 -7.293 10.578 1.00 0.00 C ATOM 1877 CD PRO A 123 4.460 -8.421 9.589 1.00 0.00 C ATOM 0 HA PRO A 123 1.711 -8.406 11.392 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.183 -6.064 11.503 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.588 -7.502 12.419 1.00 0.00 H new ATOM 0 HG2 PRO A 123 4.949 -6.370 10.052 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.557 -7.526 11.219 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.631 -8.093 8.564 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.130 -9.261 9.771 1.00 0.00 H new ATOM 1885 N TYR A 124 1.349 -7.237 8.591 1.00 0.00 N ATOM 1886 CA TYR A 124 0.492 -6.455 7.716 1.00 0.00 C ATOM 1887 C TYR A 124 -0.291 -7.362 6.763 1.00 0.00 C ATOM 1888 O TYR A 124 -0.698 -6.931 5.685 1.00 0.00 O ATOM 1889 CB TYR A 124 1.427 -5.562 6.898 1.00 0.00 C ATOM 1890 CG TYR A 124 2.025 -4.398 7.689 1.00 0.00 C ATOM 1891 CD1 TYR A 124 1.339 -3.204 7.786 1.00 0.00 C ATOM 1892 CD2 TYR A 124 3.251 -4.541 8.306 1.00 0.00 C ATOM 1893 CE1 TYR A 124 1.902 -2.108 8.531 1.00 0.00 C ATOM 1894 CE2 TYR A 124 3.814 -3.445 9.051 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.112 -2.283 9.127 1.00 0.00 C ATOM 1896 OH TYR A 124 3.644 -1.247 9.831 1.00 0.00 O ATOM 0 H TYR A 124 1.878 -7.973 8.123 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.230 -5.882 8.297 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.238 -6.171 6.499 1.00 0.00 H new ATOM 0 HB3 TYR A 124 0.878 -5.164 6.045 1.00 0.00 H new ATOM 0 HD1 TYR A 124 0.380 -3.092 7.303 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.788 -5.475 8.230 1.00 0.00 H new ATOM 0 HE1 TYR A 124 1.376 -1.169 8.615 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.773 -3.544 9.539 1.00 0.00 H new ATOM 0 HH TYR A 124 4.511 -1.515 10.202 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.477 -8.600 7.195 1.00 0.00 N ATOM 1907 CA ILE A 125 -1.204 -9.571 6.395 1.00 0.00 C ATOM 1908 C ILE A 125 -2.668 -9.141 6.285 1.00 0.00 C ATOM 1909 O ILE A 125 -3.175 -8.425 7.147 1.00 0.00 O ATOM 1910 CB ILE A 125 -1.017 -10.980 6.961 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.467 -11.318 7.113 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.757 -12.015 6.111 1.00 0.00 C ATOM 1913 CD1 ILE A 125 1.014 -11.969 5.841 1.00 0.00 C ATOM 0 H ILE A 125 -0.137 -8.953 8.089 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.805 -9.605 5.381 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.457 -11.008 7.958 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.030 -10.411 7.332 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.606 -11.991 7.959 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.608 -13.008 6.535 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.822 -11.782 6.099 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.369 -11.994 5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.071 -12.199 5.976 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.465 -12.889 5.638 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.896 -11.283 5.002 1.00 0.00 H new ATOM 1925 N HIS A 126 -3.307 -9.596 5.217 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.703 -9.268 4.984 1.00 0.00 C ATOM 1927 C HIS A 126 -5.555 -10.534 5.102 1.00 0.00 C ATOM 1928 O HIS A 126 -5.464 -11.427 4.261 1.00 0.00 O ATOM 1929 CB HIS A 126 -4.877 -8.560 3.639 1.00 0.00 C ATOM 1930 CG HIS A 126 -6.133 -7.728 3.541 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -6.373 -6.548 2.901 1.00 0.00 N flip ATOM 1932 CD2 HIS A 126 -7.322 -8.091 4.149 1.00 0.00 C flip ATOM 1933 CE1 HIS A 126 -7.640 -6.209 3.105 1.00 0.00 C flip ATOM 1934 NE2 HIS A 126 -8.230 -7.165 3.879 1.00 0.00 N flip ATOM 0 H HIS A 126 -2.883 -10.189 4.503 1.00 0.00 H new ATOM 0 HA HIS A 126 -5.048 -8.568 5.745 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.014 -7.918 3.464 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.885 -9.307 2.845 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -7.482 -8.979 4.743 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -8.124 -5.323 2.722 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -9.200 -7.167 4.194 1.00 0.00 H new ATOM 1942 N SER A 127 -6.362 -10.569 6.151 1.00 0.00 N ATOM 1943 CA SER A 127 -7.230 -11.710 6.390 1.00 0.00 C ATOM 1944 C SER A 127 -8.552 -11.528 5.643 1.00 0.00 C ATOM 1945 O SER A 127 -9.024 -10.404 5.474 1.00 0.00 O ATOM 1946 CB SER A 127 -7.487 -11.903 7.886 1.00 0.00 C ATOM 1947 OG SER A 127 -8.555 -12.814 8.131 1.00 0.00 O ATOM 0 H SER A 127 -6.434 -9.826 6.846 1.00 0.00 H new ATOM 0 HA SER A 127 -6.730 -12.604 6.017 1.00 0.00 H new ATOM 0 HB2 SER A 127 -6.580 -12.271 8.365 1.00 0.00 H new ATOM 0 HB3 SER A 127 -7.720 -10.940 8.341 1.00 0.00 H new ATOM 0 HG SER A 127 -8.687 -12.912 9.097 1.00 0.00 H new