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 44 CYS SG : rot 59:sc= 0.177 USER MOD Set 1.2: A 118 MET CE :methyl -177:sc= 0 (180deg=0) USER MOD Set 2.1: A 79 THR OG1 : rot -18:sc= 1.52 USER MOD Set 2.2: A 80 HIS : no HE2:sc= -4.45! C(o=-5.6!,f=-18!) USER MOD Set 2.3: A 102 HIS : no HD1:sc= -2.68! C(o=-5.6!,f=-5.2!) USER MOD Set 3.1: A 47 TYR OH : rot -101:sc= 1.62 USER MOD Set 3.2: A 49 CYS SG : rot 144:sc= 0.486 USER MOD Set 4.1: A 22 THR OG1 : rot 160:sc= 0.115 USER MOD Set 4.2: A 25 ASN : amide:sc= 0 X(o=0.12,f=0.27) USER MOD Single : A 28 ASN : amide:sc=-0.00643 X(o=-0.0064,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=-0.95) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 149:sc=-0.00767 (180deg=-0.0722) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= 0.814 (180deg=-0.598!) USER MOD Single : A 64 ASN : amide:sc= -0.0792 K(o=-0.079,f=-1.4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.186 K(o=0.19,f=-4.4!) USER MOD Single : A 73 GLN : amide:sc= -0.028 K(o=-0.028,f=-1.4!) USER MOD Single : A 75 ASN : amide:sc= -6.55! K(o=-6.6!,f=-5.9) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.092) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -137:sc= 0.978 USER MOD Single : A 99 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.49) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot -176:sc= -1.11! USER MOD Single : A 114 SER OG : rot -160:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 176:sc= 0.199 (180deg=0.0885) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -3:sc= 0.191 USER MOD Single : A 126 HIS : no HD1:sc= -0.826 X(o=-0.83,f=-0.38) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 258 N PRO A 21 0.662 7.543 7.645 1.00 0.00 N ATOM 259 CA PRO A 21 0.681 6.719 6.447 1.00 0.00 C ATOM 260 C PRO A 21 -0.222 5.495 6.609 1.00 0.00 C ATOM 261 O PRO A 21 0.261 4.365 6.663 1.00 0.00 O ATOM 262 CB PRO A 21 2.143 6.356 6.243 1.00 0.00 C ATOM 263 CG PRO A 21 2.823 6.597 7.581 1.00 0.00 C ATOM 264 CD PRO A 21 1.876 7.414 8.445 1.00 0.00 C ATOM 0 HA PRO A 21 0.287 7.238 5.573 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.248 5.316 5.933 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.592 6.968 5.461 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.060 5.649 8.065 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.765 7.127 7.440 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.674 6.915 9.393 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.299 8.390 8.683 1.00 0.00 H new ATOM 272 N THR A 22 -1.518 5.761 6.681 1.00 0.00 N ATOM 273 CA THR A 22 -2.493 4.695 6.835 1.00 0.00 C ATOM 274 C THR A 22 -3.293 4.513 5.544 1.00 0.00 C ATOM 275 O THR A 22 -3.284 5.385 4.676 1.00 0.00 O ATOM 276 CB THR A 22 -3.365 5.024 8.049 1.00 0.00 C ATOM 277 OG1 THR A 22 -4.128 6.153 7.632 1.00 0.00 O ATOM 278 CG2 THR A 22 -2.548 5.543 9.234 1.00 0.00 C ATOM 0 H THR A 22 -1.915 6.699 6.636 1.00 0.00 H new ATOM 0 HA THR A 22 -2.006 3.737 7.016 1.00 0.00 H new ATOM 0 HB THR A 22 -3.917 4.134 8.351 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.922 6.239 8.199 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.215 5.761 10.068 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.824 4.786 9.536 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.022 6.452 8.943 1.00 0.00 H new ATOM 286 N LEU A 23 -3.966 3.375 5.457 1.00 0.00 N ATOM 287 CA LEU A 23 -4.769 3.067 4.286 1.00 0.00 C ATOM 288 C LEU A 23 -5.845 4.142 4.115 1.00 0.00 C ATOM 289 O LEU A 23 -5.954 4.752 3.052 1.00 0.00 O ATOM 290 CB LEU A 23 -5.329 1.646 4.379 1.00 0.00 C ATOM 291 CG LEU A 23 -5.481 0.898 3.053 1.00 0.00 C ATOM 292 CD1 LEU A 23 -5.897 1.851 1.930 1.00 0.00 C ATOM 293 CD2 LEU A 23 -4.205 0.128 2.708 1.00 0.00 C ATOM 0 H LEU A 23 -3.972 2.655 6.179 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.154 3.084 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.679 1.062 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.305 1.692 4.862 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.279 0.164 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.998 1.294 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.851 2.314 2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.139 2.625 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.340 -0.395 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.371 0.825 2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.993 -0.596 3.495 1.00 0.00 H new ATOM 305 N GLU A 24 -6.612 4.341 5.176 1.00 0.00 N ATOM 306 CA GLU A 24 -7.675 5.331 5.157 1.00 0.00 C ATOM 307 C GLU A 24 -7.140 6.675 4.657 1.00 0.00 C ATOM 308 O GLU A 24 -7.692 7.260 3.727 1.00 0.00 O ATOM 309 CB GLU A 24 -8.315 5.476 6.539 1.00 0.00 C ATOM 310 CG GLU A 24 -9.247 4.300 6.837 1.00 0.00 C ATOM 311 CD GLU A 24 -10.239 4.654 7.947 1.00 0.00 C ATOM 312 OE1 GLU A 24 -10.904 5.702 7.801 1.00 0.00 O ATOM 313 OE2 GLU A 24 -10.310 3.868 8.917 1.00 0.00 O ATOM 0 H GLU A 24 -6.518 3.833 6.056 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.449 4.991 4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.537 5.530 7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.875 6.410 6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.790 4.024 5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.659 3.431 7.133 1.00 0.00 H new ATOM 320 N ASN A 25 -6.070 7.124 5.297 1.00 0.00 N ATOM 321 CA ASN A 25 -5.454 8.387 4.929 1.00 0.00 C ATOM 322 C ASN A 25 -4.406 8.142 3.841 1.00 0.00 C ATOM 323 O ASN A 25 -3.248 8.528 3.991 1.00 0.00 O ATOM 324 CB ASN A 25 -4.749 9.026 6.127 1.00 0.00 C ATOM 325 CG ASN A 25 -5.684 9.101 7.337 1.00 0.00 C ATOM 326 OD1 ASN A 25 -6.862 9.398 7.226 1.00 0.00 O ATOM 327 ND2 ASN A 25 -5.094 8.816 8.494 1.00 0.00 N ATOM 0 H ASN A 25 -5.614 6.636 6.068 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.240 9.054 4.574 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.862 8.446 6.383 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.410 10.027 5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.632 8.838 9.360 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.103 8.575 8.515 1.00 0.00 H new ATOM 334 N LEU A 26 -4.851 7.501 2.770 1.00 0.00 N ATOM 335 CA LEU A 26 -3.967 7.199 1.657 1.00 0.00 C ATOM 336 C LEU A 26 -4.135 8.266 0.574 1.00 0.00 C ATOM 337 O LEU A 26 -3.207 8.533 -0.188 1.00 0.00 O ATOM 338 CB LEU A 26 -4.203 5.772 1.157 1.00 0.00 C ATOM 339 CG LEU A 26 -3.568 5.420 -0.190 1.00 0.00 C ATOM 340 CD1 LEU A 26 -2.042 5.499 -0.114 1.00 0.00 C ATOM 341 CD2 LEU A 26 -4.048 4.053 -0.681 1.00 0.00 C ATOM 0 H LEU A 26 -5.812 7.182 2.649 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.926 7.231 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.824 5.078 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.278 5.607 1.084 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.892 6.158 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.616 5.244 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.743 6.511 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.678 4.798 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.582 3.827 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.773 3.288 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.131 4.069 -0.799 1.00 0.00 H new ATOM 353 N GLU A 27 -5.324 8.848 0.541 1.00 0.00 N ATOM 354 CA GLU A 27 -5.625 9.881 -0.436 1.00 0.00 C ATOM 355 C GLU A 27 -4.997 11.210 -0.014 1.00 0.00 C ATOM 356 O GLU A 27 -4.407 11.910 -0.836 1.00 0.00 O ATOM 357 CB GLU A 27 -7.136 10.026 -0.633 1.00 0.00 C ATOM 358 CG GLU A 27 -7.771 8.686 -1.009 1.00 0.00 C ATOM 359 CD GLU A 27 -9.290 8.818 -1.144 1.00 0.00 C ATOM 360 OE1 GLU A 27 -9.815 9.845 -0.663 1.00 0.00 O ATOM 361 OE2 GLU A 27 -9.890 7.888 -1.725 1.00 0.00 O ATOM 0 H GLU A 27 -6.091 8.624 1.175 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.194 9.586 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.591 10.404 0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.336 10.759 -1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.348 8.330 -1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.533 7.941 -0.250 1.00 0.00 H new ATOM 368 N ASN A 28 -5.145 11.518 1.266 1.00 0.00 N ATOM 369 CA ASN A 28 -4.599 12.752 1.806 1.00 0.00 C ATOM 370 C ASN A 28 -3.109 12.561 2.095 1.00 0.00 C ATOM 371 O ASN A 28 -2.400 13.525 2.381 1.00 0.00 O ATOM 372 CB ASN A 28 -5.290 13.132 3.117 1.00 0.00 C ATOM 373 CG ASN A 28 -6.801 13.271 2.921 1.00 0.00 C ATOM 374 OD1 ASN A 28 -7.290 14.207 2.310 1.00 0.00 O ATOM 375 ND2 ASN A 28 -7.511 12.290 3.471 1.00 0.00 N ATOM 0 H ASN A 28 -5.635 10.935 1.945 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.759 13.542 1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.086 12.373 3.873 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.880 14.071 3.489 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.528 12.292 3.395 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.038 11.536 3.969 1.00 0.00 H new ATOM 382 N LEU A 29 -2.677 11.311 2.012 1.00 0.00 N ATOM 383 CA LEU A 29 -1.284 10.982 2.261 1.00 0.00 C ATOM 384 C LEU A 29 -0.413 11.615 1.174 1.00 0.00 C ATOM 385 O LEU A 29 -0.801 11.654 0.007 1.00 0.00 O ATOM 386 CB LEU A 29 -1.106 9.468 2.388 1.00 0.00 C ATOM 387 CG LEU A 29 0.187 8.893 1.806 1.00 0.00 C ATOM 388 CD1 LEU A 29 1.375 9.172 2.729 1.00 0.00 C ATOM 389 CD2 LEU A 29 0.036 7.402 1.500 1.00 0.00 C ATOM 0 H LEU A 29 -3.268 10.514 1.776 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.958 11.399 3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.154 9.204 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.949 8.981 1.899 1.00 0.00 H new ATOM 0 HG LEU A 29 0.389 9.396 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.281 8.753 2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.495 10.248 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.196 8.714 3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.969 7.019 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.203 6.865 2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.766 7.259 0.776 1.00 0.00 H new ATOM 401 N ASP A 30 0.748 12.094 1.595 1.00 0.00 N ATOM 402 CA ASP A 30 1.677 12.723 0.672 1.00 0.00 C ATOM 403 C ASP A 30 2.816 11.750 0.359 1.00 0.00 C ATOM 404 O ASP A 30 3.800 11.684 1.094 1.00 0.00 O ATOM 405 CB ASP A 30 2.289 13.986 1.282 1.00 0.00 C ATOM 406 CG ASP A 30 3.453 14.587 0.491 1.00 0.00 C ATOM 407 OD1 ASP A 30 3.559 14.249 -0.707 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.209 15.372 1.103 1.00 0.00 O ATOM 0 H ASP A 30 1.067 12.059 2.563 1.00 0.00 H new ATOM 0 HA ASP A 30 1.127 12.988 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.508 14.740 1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.635 13.754 2.289 1.00 0.00 H new ATOM 413 N VAL A 31 2.643 11.019 -0.732 1.00 0.00 N ATOM 414 CA VAL A 31 3.643 10.052 -1.151 1.00 0.00 C ATOM 415 C VAL A 31 4.993 10.756 -1.305 1.00 0.00 C ATOM 416 O VAL A 31 6.038 10.170 -1.024 1.00 0.00 O ATOM 417 CB VAL A 31 3.187 9.348 -2.431 1.00 0.00 C ATOM 418 CG1 VAL A 31 2.581 10.346 -3.419 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.341 8.574 -3.072 1.00 0.00 C ATOM 0 H VAL A 31 1.825 11.077 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 31 3.764 9.276 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 31 2.412 8.631 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.265 9.820 -4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.719 10.833 -2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.326 11.098 -3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.990 8.083 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.148 9.264 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.708 7.823 -2.372 1.00 0.00 H new ATOM 429 N SER A 32 4.928 12.002 -1.750 1.00 0.00 N ATOM 430 CA SER A 32 6.132 12.792 -1.944 1.00 0.00 C ATOM 431 C SER A 32 6.809 13.053 -0.597 1.00 0.00 C ATOM 432 O SER A 32 7.940 13.535 -0.550 1.00 0.00 O ATOM 433 CB SER A 32 5.816 14.114 -2.645 1.00 0.00 C ATOM 434 OG SER A 32 6.870 14.524 -3.512 1.00 0.00 O ATOM 0 H SER A 32 4.060 12.484 -1.982 1.00 0.00 H new ATOM 0 HA SER A 32 6.813 12.228 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.895 14.009 -3.218 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.640 14.888 -1.898 1.00 0.00 H new ATOM 0 HG SER A 32 6.629 15.371 -3.942 1.00 0.00 H new ATOM 440 N ALA A 33 6.089 12.723 0.465 1.00 0.00 N ATOM 441 CA ALA A 33 6.606 12.916 1.809 1.00 0.00 C ATOM 442 C ALA A 33 7.699 11.882 2.084 1.00 0.00 C ATOM 443 O ALA A 33 8.776 12.225 2.569 1.00 0.00 O ATOM 444 CB ALA A 33 5.457 12.832 2.815 1.00 0.00 C ATOM 0 H ALA A 33 5.152 12.323 0.422 1.00 0.00 H new ATOM 0 HA ALA A 33 7.055 13.904 1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.845 12.977 3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.723 13.607 2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.983 11.853 2.746 1.00 0.00 H new ATOM 450 N PHE A 34 7.384 10.636 1.761 1.00 0.00 N ATOM 451 CA PHE A 34 8.326 9.548 1.967 1.00 0.00 C ATOM 452 C PHE A 34 9.696 9.890 1.377 1.00 0.00 C ATOM 453 O PHE A 34 9.792 10.312 0.226 1.00 0.00 O ATOM 454 CB PHE A 34 7.763 8.325 1.242 1.00 0.00 C ATOM 455 CG PHE A 34 6.414 7.846 1.784 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.322 7.370 3.055 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.307 7.897 0.995 1.00 0.00 C ATOM 458 CE1 PHE A 34 5.071 6.926 3.558 1.00 0.00 C ATOM 459 CE2 PHE A 34 4.056 7.453 1.498 1.00 0.00 C ATOM 460 CZ PHE A 34 3.964 6.977 2.769 1.00 0.00 C ATOM 0 H PHE A 34 6.490 10.355 1.358 1.00 0.00 H new ATOM 0 HA PHE A 34 8.455 9.365 3.034 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.654 8.561 0.183 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.482 7.509 1.315 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.201 7.330 3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.380 8.275 -0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.998 6.548 4.567 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.177 7.493 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.012 6.640 3.152 1.00 0.00 H new ATOM 470 N GLN A 35 10.721 9.696 2.193 1.00 0.00 N ATOM 471 CA GLN A 35 12.081 9.978 1.767 1.00 0.00 C ATOM 472 C GLN A 35 12.779 8.688 1.329 1.00 0.00 C ATOM 473 O GLN A 35 13.989 8.677 1.108 1.00 0.00 O ATOM 474 CB GLN A 35 12.869 10.678 2.876 1.00 0.00 C ATOM 475 CG GLN A 35 11.957 11.575 3.714 1.00 0.00 C ATOM 476 CD GLN A 35 12.712 12.161 4.909 1.00 0.00 C ATOM 477 OE1 GLN A 35 13.718 11.636 5.359 1.00 0.00 O ATOM 478 NE2 GLN A 35 12.172 13.274 5.398 1.00 0.00 N ATOM 0 H GLN A 35 10.637 9.347 3.148 1.00 0.00 H new ATOM 0 HA GLN A 35 12.040 10.654 0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.341 9.934 3.517 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.669 11.275 2.438 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.566 12.382 3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.100 11.001 4.067 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.329 13.661 4.974 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.601 13.741 6.197 1.00 0.00 H new ATOM 487 N ALA A 36 11.985 7.633 1.215 1.00 0.00 N ATOM 488 CA ALA A 36 12.511 6.342 0.807 1.00 0.00 C ATOM 489 C ALA A 36 13.355 6.516 -0.457 1.00 0.00 C ATOM 490 O ALA A 36 13.346 7.582 -1.071 1.00 0.00 O ATOM 491 CB ALA A 36 11.355 5.360 0.607 1.00 0.00 C ATOM 0 H ALA A 36 10.982 7.646 1.398 1.00 0.00 H new ATOM 0 HA ALA A 36 13.159 5.929 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.749 4.391 0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.806 5.249 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.685 5.739 -0.165 1.00 0.00 H new ATOM 497 N PRO A 37 14.081 5.424 -0.819 1.00 0.00 N ATOM 498 CA PRO A 37 14.928 5.446 -1.999 1.00 0.00 C ATOM 499 C PRO A 37 14.091 5.354 -3.276 1.00 0.00 C ATOM 500 O PRO A 37 12.908 5.022 -3.225 1.00 0.00 O ATOM 501 CB PRO A 37 15.876 4.271 -1.825 1.00 0.00 C ATOM 502 CG PRO A 37 15.228 3.363 -0.792 1.00 0.00 C ATOM 503 CD PRO A 37 14.115 4.145 -0.115 1.00 0.00 C ATOM 0 HA PRO A 37 15.484 6.378 -2.100 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.025 3.746 -2.769 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.857 4.607 -1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.830 2.467 -1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 37 15.964 3.034 -0.058 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.161 3.624 -0.193 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.317 4.283 0.947 1.00 0.00 H new ATOM 511 N GLU A 38 14.738 5.656 -4.393 1.00 0.00 N ATOM 512 CA GLU A 38 14.068 5.611 -5.681 1.00 0.00 C ATOM 513 C GLU A 38 14.062 4.182 -6.228 1.00 0.00 C ATOM 514 O GLU A 38 13.588 3.940 -7.337 1.00 0.00 O ATOM 515 CB GLU A 38 14.722 6.575 -6.673 1.00 0.00 C ATOM 516 CG GLU A 38 14.538 8.028 -6.229 1.00 0.00 C ATOM 517 CD GLU A 38 14.795 8.992 -7.389 1.00 0.00 C ATOM 518 OE1 GLU A 38 13.890 9.106 -8.244 1.00 0.00 O ATOM 519 OE2 GLU A 38 15.891 9.594 -7.394 1.00 0.00 O ATOM 0 H GLU A 38 15.719 5.933 -4.432 1.00 0.00 H new ATOM 0 HA GLU A 38 13.035 5.930 -5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.785 6.349 -6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.286 6.435 -7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.526 8.171 -5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.220 8.251 -5.408 1.00 0.00 H new ATOM 526 N ASP A 39 14.593 3.273 -5.424 1.00 0.00 N ATOM 527 CA ASP A 39 14.655 1.875 -5.813 1.00 0.00 C ATOM 528 C ASP A 39 14.200 1.003 -4.640 1.00 0.00 C ATOM 529 O ASP A 39 14.553 -0.173 -4.563 1.00 0.00 O ATOM 530 CB ASP A 39 16.084 1.467 -6.178 1.00 0.00 C ATOM 531 CG ASP A 39 16.992 2.617 -6.619 1.00 0.00 C ATOM 532 OD1 ASP A 39 17.288 3.470 -5.755 1.00 0.00 O ATOM 533 OD2 ASP A 39 17.368 2.617 -7.811 1.00 0.00 O ATOM 0 H ASP A 39 14.984 3.478 -4.505 1.00 0.00 H new ATOM 0 HA ASP A 39 14.008 1.737 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.537 0.976 -5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.042 0.729 -6.979 1.00 0.00 H new ATOM 538 N LEU A 40 13.423 1.613 -3.758 1.00 0.00 N ATOM 539 CA LEU A 40 12.916 0.907 -2.593 1.00 0.00 C ATOM 540 C LEU A 40 12.540 -0.522 -2.992 1.00 0.00 C ATOM 541 O LEU A 40 13.181 -1.479 -2.560 1.00 0.00 O ATOM 542 CB LEU A 40 11.768 1.688 -1.951 1.00 0.00 C ATOM 543 CG LEU A 40 11.136 1.054 -0.711 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.192 0.777 0.362 1.00 0.00 C ATOM 545 CD2 LEU A 40 9.990 1.916 -0.177 1.00 0.00 C ATOM 0 H LEU A 40 13.132 2.588 -3.826 1.00 0.00 H new ATOM 0 HA LEU A 40 13.688 0.832 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.135 2.678 -1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.988 1.830 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 40 10.709 0.093 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.716 0.326 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.944 0.094 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.669 1.713 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.558 1.442 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.370 2.902 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.224 2.019 -0.945 1.00 0.00 H new ATOM 557 N LEU A 41 11.504 -0.620 -3.811 1.00 0.00 N ATOM 558 CA LEU A 41 11.036 -1.916 -4.273 1.00 0.00 C ATOM 559 C LEU A 41 11.801 -2.309 -5.537 1.00 0.00 C ATOM 560 O LEU A 41 11.197 -2.601 -6.568 1.00 0.00 O ATOM 561 CB LEU A 41 9.516 -1.904 -4.453 1.00 0.00 C ATOM 562 CG LEU A 41 8.730 -1.045 -3.460 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.585 -0.309 -4.158 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.237 -1.884 -2.279 1.00 0.00 C ATOM 0 H LEU A 41 10.975 0.176 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 41 11.240 -2.683 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.292 -1.555 -5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.153 -2.930 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 41 9.402 -0.287 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.043 0.294 -3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.989 0.338 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.906 -1.034 -4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.682 -1.249 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.587 -2.679 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.091 -2.322 -1.762 1.00 0.00 H new ATOM 576 N ASP A 42 13.121 -2.305 -5.417 1.00 0.00 N ATOM 577 CA ASP A 42 13.976 -2.658 -6.538 1.00 0.00 C ATOM 578 C ASP A 42 13.890 -4.165 -6.785 1.00 0.00 C ATOM 579 O ASP A 42 14.251 -4.961 -5.919 1.00 0.00 O ATOM 580 CB ASP A 42 15.437 -2.309 -6.248 1.00 0.00 C ATOM 581 CG ASP A 42 16.462 -3.052 -7.107 1.00 0.00 C ATOM 582 OD1 ASP A 42 16.341 -2.953 -8.347 1.00 0.00 O ATOM 583 OD2 ASP A 42 17.343 -3.701 -6.503 1.00 0.00 O ATOM 0 H ASP A 42 13.619 -2.063 -4.560 1.00 0.00 H new ATOM 0 HA ASP A 42 13.638 -2.097 -7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.574 -1.237 -6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.644 -2.520 -5.199 1.00 0.00 H new ATOM 588 N GLY A 43 13.409 -4.513 -7.969 1.00 0.00 N ATOM 589 CA GLY A 43 13.272 -5.911 -8.341 1.00 0.00 C ATOM 590 C GLY A 43 12.184 -6.594 -7.510 1.00 0.00 C ATOM 591 O GLY A 43 12.290 -7.778 -7.194 1.00 0.00 O ATOM 0 H GLY A 43 13.109 -3.850 -8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.027 -5.987 -9.400 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.222 -6.425 -8.196 1.00 0.00 H new ATOM 595 N CYS A 44 11.162 -5.818 -7.179 1.00 0.00 N ATOM 596 CA CYS A 44 10.055 -6.334 -6.391 1.00 0.00 C ATOM 597 C CYS A 44 8.755 -6.052 -7.147 1.00 0.00 C ATOM 598 O CYS A 44 8.291 -4.914 -7.188 1.00 0.00 O ATOM 599 CB CYS A 44 10.037 -5.736 -4.982 1.00 0.00 C ATOM 600 SG CYS A 44 11.570 -6.190 -4.091 1.00 0.00 S ATOM 0 H CYS A 44 11.077 -4.836 -7.442 1.00 0.00 H new ATOM 0 HA CYS A 44 10.170 -7.410 -6.257 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.947 -4.651 -5.039 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.167 -6.099 -4.435 1.00 0.00 H new ATOM 0 HG CYS A 44 12.601 -5.747 -4.748 1.00 0.00 H new ATOM 606 N ARG A 45 8.204 -7.109 -7.726 1.00 0.00 N ATOM 607 CA ARG A 45 6.967 -6.990 -8.478 1.00 0.00 C ATOM 608 C ARG A 45 5.763 -7.195 -7.556 1.00 0.00 C ATOM 609 O ARG A 45 5.539 -8.297 -7.057 1.00 0.00 O ATOM 610 CB ARG A 45 6.911 -8.014 -9.613 1.00 0.00 C ATOM 611 CG ARG A 45 7.788 -7.578 -10.789 1.00 0.00 C ATOM 612 CD ARG A 45 8.023 -8.739 -11.758 1.00 0.00 C ATOM 613 NE ARG A 45 8.914 -9.744 -11.136 1.00 0.00 N ATOM 614 CZ ARG A 45 9.455 -10.778 -11.796 1.00 0.00 C ATOM 615 NH1 ARG A 45 9.199 -10.948 -13.100 1.00 0.00 N ATOM 616 NH2 ARG A 45 10.252 -11.640 -11.151 1.00 0.00 N ATOM 0 H ARG A 45 8.592 -8.052 -7.689 1.00 0.00 H new ATOM 0 HA ARG A 45 6.935 -5.988 -8.906 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.243 -8.986 -9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.881 -8.135 -9.948 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.312 -6.751 -11.315 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.745 -7.211 -10.417 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.072 -9.199 -12.025 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.468 -8.369 -12.682 1.00 0.00 H new ATOM 0 HE ARG A 45 9.130 -9.644 -10.144 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.593 -10.291 -13.591 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.611 -11.735 -13.602 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.447 -11.510 -10.158 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.664 -12.427 -11.653 1.00 0.00 H new ATOM 630 N ILE A 46 5.020 -6.117 -7.356 1.00 0.00 N ATOM 631 CA ILE A 46 3.845 -6.165 -6.503 1.00 0.00 C ATOM 632 C ILE A 46 2.588 -6.189 -7.374 1.00 0.00 C ATOM 633 O ILE A 46 2.644 -5.870 -8.561 1.00 0.00 O ATOM 634 CB ILE A 46 3.871 -5.017 -5.491 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.277 -4.818 -4.923 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.833 -5.235 -4.389 1.00 0.00 C ATOM 637 CD1 ILE A 46 5.939 -3.575 -5.521 1.00 0.00 C ATOM 0 H ILE A 46 5.209 -5.204 -7.770 1.00 0.00 H new ATOM 0 HA ILE A 46 3.840 -7.081 -5.912 1.00 0.00 H new ATOM 0 HB ILE A 46 3.601 -4.097 -6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.225 -4.720 -3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.886 -5.697 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.872 -4.405 -3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.838 -5.288 -4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.048 -6.167 -3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.938 -3.457 -5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.012 -3.686 -6.603 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.340 -2.695 -5.286 1.00 0.00 H new ATOM 649 N TYR A 47 1.482 -6.569 -6.751 1.00 0.00 N ATOM 650 CA TYR A 47 0.213 -6.639 -7.455 1.00 0.00 C ATOM 651 C TYR A 47 -0.862 -5.828 -6.728 1.00 0.00 C ATOM 652 O TYR A 47 -1.257 -6.171 -5.615 1.00 0.00 O ATOM 653 CB TYR A 47 -0.190 -8.115 -7.453 1.00 0.00 C ATOM 654 CG TYR A 47 -1.636 -8.366 -7.885 1.00 0.00 C ATOM 655 CD1 TYR A 47 -1.955 -8.419 -9.227 1.00 0.00 C ATOM 656 CD2 TYR A 47 -2.621 -8.539 -6.934 1.00 0.00 C ATOM 657 CE1 TYR A 47 -3.316 -8.655 -9.634 1.00 0.00 C ATOM 658 CE2 TYR A 47 -3.981 -8.775 -7.341 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.262 -8.822 -8.671 1.00 0.00 C ATOM 660 OH TYR A 47 -5.548 -9.045 -9.056 1.00 0.00 O ATOM 0 H TYR A 47 1.439 -6.832 -5.766 1.00 0.00 H new ATOM 0 HA TYR A 47 0.310 -6.234 -8.462 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.477 -8.664 -8.117 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.046 -8.519 -6.451 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.184 -8.284 -9.971 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.371 -8.497 -5.884 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.580 -8.698 -10.680 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.761 -8.912 -6.607 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.061 -8.214 -8.979 1.00 0.00 H new ATOM 670 N LEU A 48 -1.305 -4.768 -7.388 1.00 0.00 N ATOM 671 CA LEU A 48 -2.327 -3.906 -6.819 1.00 0.00 C ATOM 672 C LEU A 48 -3.705 -4.521 -7.069 1.00 0.00 C ATOM 673 O LEU A 48 -4.026 -4.897 -8.196 1.00 0.00 O ATOM 674 CB LEU A 48 -2.184 -2.480 -7.354 1.00 0.00 C ATOM 675 CG LEU A 48 -0.982 -1.686 -6.836 1.00 0.00 C ATOM 676 CD1 LEU A 48 -0.922 -0.299 -7.480 1.00 0.00 C ATOM 677 CD2 LEU A 48 -0.994 -1.608 -5.308 1.00 0.00 C ATOM 0 H LEU A 48 -0.975 -4.487 -8.311 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.203 -3.831 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.123 -2.526 -8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.092 -1.928 -7.109 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.074 -2.215 -7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.059 0.244 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.832 -0.403 -8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.832 0.252 -7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.130 -1.039 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.908 -1.115 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.953 -2.615 -4.892 1.00 0.00 H new ATOM 689 N CYS A 49 -4.483 -4.605 -6.000 1.00 0.00 N ATOM 690 CA CYS A 49 -5.820 -5.169 -6.090 1.00 0.00 C ATOM 691 C CYS A 49 -6.713 -4.449 -5.077 1.00 0.00 C ATOM 692 O CYS A 49 -6.574 -4.646 -3.871 1.00 0.00 O ATOM 693 CB CYS A 49 -5.811 -6.683 -5.869 1.00 0.00 C ATOM 694 SG CYS A 49 -6.875 -7.502 -7.113 1.00 0.00 S ATOM 0 H CYS A 49 -4.214 -4.292 -5.067 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.216 -5.017 -7.094 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.792 -7.064 -5.942 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.166 -6.915 -4.865 1.00 0.00 H new ATOM 0 HG CYS A 49 -6.341 -8.635 -7.462 1.00 0.00 H new ATOM 700 N GLY A 50 -7.611 -3.631 -5.605 1.00 0.00 N ATOM 701 CA GLY A 50 -8.528 -2.881 -4.762 1.00 0.00 C ATOM 702 C GLY A 50 -8.059 -1.435 -4.594 1.00 0.00 C ATOM 703 O GLY A 50 -7.928 -0.948 -3.472 1.00 0.00 O ATOM 0 H GLY A 50 -7.724 -3.471 -6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.526 -2.895 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.603 -3.359 -3.785 1.00 0.00 H new ATOM 707 N PHE A 51 -7.818 -0.789 -5.725 1.00 0.00 N ATOM 708 CA PHE A 51 -7.366 0.592 -5.717 1.00 0.00 C ATOM 709 C PHE A 51 -7.820 1.325 -6.981 1.00 0.00 C ATOM 710 O PHE A 51 -7.659 0.816 -8.089 1.00 0.00 O ATOM 711 CB PHE A 51 -5.837 0.563 -5.679 1.00 0.00 C ATOM 712 CG PHE A 51 -5.256 0.110 -4.338 1.00 0.00 C ATOM 713 CD1 PHE A 51 -5.526 0.815 -3.207 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.469 -0.998 -4.278 1.00 0.00 C ATOM 715 CE1 PHE A 51 -4.987 0.394 -1.963 1.00 0.00 C ATOM 716 CE2 PHE A 51 -3.930 -1.418 -3.033 1.00 0.00 C ATOM 717 CZ PHE A 51 -4.200 -0.713 -1.902 1.00 0.00 C ATOM 0 H PHE A 51 -7.927 -1.196 -6.654 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.784 1.115 -4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.477 -0.103 -6.463 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.459 1.559 -5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.150 1.695 -3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.254 -1.558 -5.176 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.202 0.953 -1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.305 -2.298 -2.984 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.789 -1.032 -0.956 1.00 0.00 H new ATOM 727 N SER A 52 -8.377 2.509 -6.772 1.00 0.00 N ATOM 728 CA SER A 52 -8.855 3.317 -7.882 1.00 0.00 C ATOM 729 C SER A 52 -9.062 4.762 -7.425 1.00 0.00 C ATOM 730 O SER A 52 -9.397 5.009 -6.267 1.00 0.00 O ATOM 731 CB SER A 52 -10.155 2.750 -8.456 1.00 0.00 C ATOM 732 OG SER A 52 -10.753 3.636 -9.399 1.00 0.00 O ATOM 0 H SER A 52 -8.508 2.928 -5.851 1.00 0.00 H new ATOM 0 HA SER A 52 -8.102 3.296 -8.670 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.952 1.793 -8.936 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.856 2.557 -7.644 1.00 0.00 H new ATOM 0 HG SER A 52 -11.579 3.238 -9.744 1.00 0.00 H new ATOM 738 N GLY A 53 -8.855 5.680 -8.358 1.00 0.00 N ATOM 739 CA GLY A 53 -9.015 7.094 -8.066 1.00 0.00 C ATOM 740 C GLY A 53 -7.725 7.685 -7.493 1.00 0.00 C ATOM 741 O GLY A 53 -6.779 7.954 -8.232 1.00 0.00 O ATOM 0 H GLY A 53 -8.578 5.472 -9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.291 7.628 -8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.830 7.232 -7.355 1.00 0.00 H new ATOM 745 N ARG A 54 -7.728 7.869 -6.181 1.00 0.00 N ATOM 746 CA ARG A 54 -6.570 8.423 -5.500 1.00 0.00 C ATOM 747 C ARG A 54 -5.709 7.300 -4.919 1.00 0.00 C ATOM 748 O ARG A 54 -4.513 7.221 -5.198 1.00 0.00 O ATOM 749 CB ARG A 54 -6.993 9.367 -4.373 1.00 0.00 C ATOM 750 CG ARG A 54 -7.263 10.774 -4.909 1.00 0.00 C ATOM 751 CD ARG A 54 -8.210 11.541 -3.983 1.00 0.00 C ATOM 752 NE ARG A 54 -9.477 11.837 -4.689 1.00 0.00 N ATOM 753 CZ ARG A 54 -10.345 12.785 -4.308 1.00 0.00 C ATOM 754 NH1 ARG A 54 -10.088 13.533 -3.227 1.00 0.00 N ATOM 755 NH2 ARG A 54 -11.469 12.984 -5.009 1.00 0.00 N ATOM 0 H ARG A 54 -8.514 7.644 -5.571 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.993 8.987 -6.233 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.889 8.981 -3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.211 9.407 -3.614 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.323 11.317 -5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.697 10.710 -5.907 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.412 10.953 -3.087 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.740 12.469 -3.656 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.704 11.286 -5.517 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.232 13.381 -2.694 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.748 14.254 -2.937 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.664 12.414 -5.832 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.130 13.705 -4.719 1.00 0.00 H new ATOM 769 N LYS A 55 -6.349 6.458 -4.121 1.00 0.00 N ATOM 770 CA LYS A 55 -5.657 5.343 -3.498 1.00 0.00 C ATOM 771 C LYS A 55 -4.690 4.720 -4.508 1.00 0.00 C ATOM 772 O LYS A 55 -3.537 4.446 -4.181 1.00 0.00 O ATOM 773 CB LYS A 55 -6.661 4.347 -2.914 1.00 0.00 C ATOM 774 CG LYS A 55 -7.591 5.032 -1.911 1.00 0.00 C ATOM 775 CD LYS A 55 -8.042 4.054 -0.824 1.00 0.00 C ATOM 776 CE LYS A 55 -7.724 4.599 0.570 1.00 0.00 C ATOM 777 NZ LYS A 55 -8.892 4.444 1.466 1.00 0.00 N ATOM 0 H LYS A 55 -7.341 6.526 -3.891 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.060 5.689 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.249 3.904 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.128 3.533 -2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.078 5.878 -1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.462 5.430 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.114 3.875 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.546 3.094 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.866 4.071 0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.448 5.651 0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.564 4.305 2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.483 5.299 1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.451 3.619 1.168 1.00 0.00 H new ATOM 791 N LEU A 56 -5.197 4.514 -5.715 1.00 0.00 N ATOM 792 CA LEU A 56 -4.394 3.929 -6.775 1.00 0.00 C ATOM 793 C LEU A 56 -3.282 4.906 -7.164 1.00 0.00 C ATOM 794 O LEU A 56 -2.101 4.602 -7.005 1.00 0.00 O ATOM 795 CB LEU A 56 -5.280 3.506 -7.948 1.00 0.00 C ATOM 796 CG LEU A 56 -4.564 2.833 -9.120 1.00 0.00 C ATOM 797 CD1 LEU A 56 -3.408 1.961 -8.629 1.00 0.00 C ATOM 798 CD2 LEU A 56 -5.550 2.044 -9.985 1.00 0.00 C ATOM 0 H LEU A 56 -6.155 4.742 -5.982 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.910 3.016 -6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.043 2.823 -7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.798 4.389 -8.323 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.134 3.612 -9.750 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.916 1.494 -9.483 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.690 2.579 -8.090 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.793 1.187 -7.964 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.015 1.575 -10.811 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.030 1.274 -9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.308 2.720 -10.381 1.00 0.00 H new ATOM 810 N ASP A 57 -3.700 6.058 -7.666 1.00 0.00 N ATOM 811 CA ASP A 57 -2.754 7.081 -8.080 1.00 0.00 C ATOM 812 C ASP A 57 -1.586 7.119 -7.092 1.00 0.00 C ATOM 813 O ASP A 57 -0.442 7.341 -7.486 1.00 0.00 O ATOM 814 CB ASP A 57 -3.408 8.464 -8.091 1.00 0.00 C ATOM 815 CG ASP A 57 -3.507 9.121 -9.470 1.00 0.00 C ATOM 816 OD1 ASP A 57 -4.499 8.824 -10.170 1.00 0.00 O ATOM 817 OD2 ASP A 57 -2.589 9.905 -9.792 1.00 0.00 O ATOM 0 H ASP A 57 -4.681 6.306 -7.796 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.411 6.836 -9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.411 8.379 -7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.843 9.122 -7.431 1.00 0.00 H new ATOM 822 N LYS A 58 -1.915 6.898 -5.828 1.00 0.00 N ATOM 823 CA LYS A 58 -0.908 6.904 -4.780 1.00 0.00 C ATOM 824 C LYS A 58 0.074 5.755 -5.016 1.00 0.00 C ATOM 825 O LYS A 58 1.241 5.985 -5.329 1.00 0.00 O ATOM 826 CB LYS A 58 -1.569 6.875 -3.401 1.00 0.00 C ATOM 827 CG LYS A 58 -2.255 8.207 -3.093 1.00 0.00 C ATOM 828 CD LYS A 58 -1.238 9.256 -2.637 1.00 0.00 C ATOM 829 CE LYS A 58 -1.913 10.608 -2.401 1.00 0.00 C ATOM 830 NZ LYS A 58 -0.925 11.705 -2.504 1.00 0.00 N ATOM 0 H LYS A 58 -2.865 6.714 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.331 7.828 -4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.300 6.068 -3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.819 6.663 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.778 8.564 -3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.006 8.062 -2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.753 8.923 -1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.457 9.362 -3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.708 10.757 -3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.379 10.622 -1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.415 12.594 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.424 11.808 -1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.240 11.486 -3.255 1.00 0.00 H new ATOM 844 N LEU A 59 -0.435 4.542 -4.858 1.00 0.00 N ATOM 845 CA LEU A 59 0.383 3.356 -5.050 1.00 0.00 C ATOM 846 C LEU A 59 1.191 3.503 -6.341 1.00 0.00 C ATOM 847 O LEU A 59 2.329 3.043 -6.420 1.00 0.00 O ATOM 848 CB LEU A 59 -0.483 2.096 -5.006 1.00 0.00 C ATOM 849 CG LEU A 59 -0.591 1.403 -3.646 1.00 0.00 C ATOM 850 CD1 LEU A 59 -0.209 2.357 -2.513 1.00 0.00 C ATOM 851 CD2 LEU A 59 -1.985 0.804 -3.445 1.00 0.00 C ATOM 0 H LEU A 59 -1.404 4.355 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 59 1.100 3.251 -4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.487 2.358 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.085 1.380 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 59 0.120 0.577 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.294 1.840 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.818 2.695 -2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.878 3.217 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.035 0.317 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.732 1.596 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.182 0.071 -4.227 1.00 0.00 H new ATOM 863 N ARG A 60 0.570 4.145 -7.320 1.00 0.00 N ATOM 864 CA ARG A 60 1.218 4.357 -8.603 1.00 0.00 C ATOM 865 C ARG A 60 2.473 5.214 -8.429 1.00 0.00 C ATOM 866 O ARG A 60 3.516 4.919 -9.011 1.00 0.00 O ATOM 867 CB ARG A 60 0.272 5.045 -9.590 1.00 0.00 C ATOM 868 CG ARG A 60 -0.905 4.136 -9.947 1.00 0.00 C ATOM 869 CD ARG A 60 -1.879 4.844 -10.890 1.00 0.00 C ATOM 870 NE ARG A 60 -2.094 4.025 -12.104 1.00 0.00 N ATOM 871 CZ ARG A 60 -1.296 4.055 -13.181 1.00 0.00 C ATOM 872 NH1 ARG A 60 -0.227 4.863 -13.201 1.00 0.00 N ATOM 873 NH2 ARG A 60 -1.568 3.277 -14.238 1.00 0.00 N ATOM 0 H ARG A 60 -0.374 4.525 -7.250 1.00 0.00 H new ATOM 0 HA ARG A 60 1.493 3.380 -9.001 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.100 5.973 -9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.817 5.312 -10.495 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.536 3.225 -10.417 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.426 3.837 -9.038 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.829 5.015 -10.384 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.485 5.822 -11.166 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.899 3.399 -12.122 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.020 5.455 -12.397 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.380 4.886 -14.020 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.382 2.662 -14.223 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.961 3.300 -15.058 1.00 0.00 H new ATOM 887 N ARG A 61 2.332 6.257 -7.625 1.00 0.00 N ATOM 888 CA ARG A 61 3.442 7.159 -7.367 1.00 0.00 C ATOM 889 C ARG A 61 4.425 6.521 -6.383 1.00 0.00 C ATOM 890 O ARG A 61 5.638 6.678 -6.522 1.00 0.00 O ATOM 891 CB ARG A 61 2.949 8.490 -6.795 1.00 0.00 C ATOM 892 CG ARG A 61 2.176 9.286 -7.847 1.00 0.00 C ATOM 893 CD ARG A 61 1.933 10.722 -7.379 1.00 0.00 C ATOM 894 NE ARG A 61 1.267 11.498 -8.449 1.00 0.00 N ATOM 895 CZ ARG A 61 1.894 11.976 -9.532 1.00 0.00 C ATOM 896 NH1 ARG A 61 3.207 11.762 -9.695 1.00 0.00 N ATOM 897 NH2 ARG A 61 1.209 12.669 -10.452 1.00 0.00 N ATOM 0 H ARG A 61 1.466 6.498 -7.143 1.00 0.00 H new ATOM 0 HA ARG A 61 3.943 7.349 -8.316 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.310 8.304 -5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.798 9.075 -6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.733 9.294 -8.784 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.222 8.799 -8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.315 10.721 -6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.880 11.192 -7.114 1.00 0.00 H new ATOM 0 HE ARG A 61 0.268 11.680 -8.356 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.729 11.235 -8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.685 12.126 -10.520 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.210 12.833 -10.328 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.687 13.033 -11.276 1.00 0.00 H new ATOM 911 N LEU A 62 3.867 5.817 -5.410 1.00 0.00 N ATOM 912 CA LEU A 62 4.679 5.155 -4.403 1.00 0.00 C ATOM 913 C LEU A 62 5.554 4.095 -5.076 1.00 0.00 C ATOM 914 O LEU A 62 6.776 4.229 -5.118 1.00 0.00 O ATOM 915 CB LEU A 62 3.798 4.603 -3.281 1.00 0.00 C ATOM 916 CG LEU A 62 3.555 5.540 -2.097 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.148 6.140 -2.152 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.822 4.827 -0.770 1.00 0.00 C ATOM 0 H LEU A 62 2.861 5.690 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 62 5.351 5.869 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.832 4.329 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.253 3.686 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 62 4.261 6.368 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.001 6.802 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.030 6.707 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.409 5.339 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.642 5.515 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.157 3.968 -0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.858 4.489 -0.741 1.00 0.00 H new ATOM 930 N ILE A 63 4.894 3.066 -5.586 1.00 0.00 N ATOM 931 CA ILE A 63 5.596 1.984 -6.254 1.00 0.00 C ATOM 932 C ILE A 63 6.734 2.563 -7.097 1.00 0.00 C ATOM 933 O ILE A 63 7.889 2.168 -6.944 1.00 0.00 O ATOM 934 CB ILE A 63 4.616 1.122 -7.054 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.731 0.291 -6.123 1.00 0.00 C ATOM 936 CG2 ILE A 63 5.356 0.251 -8.071 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.395 -0.042 -6.789 1.00 0.00 C ATOM 0 H ILE A 63 3.880 2.959 -5.550 1.00 0.00 H new ATOM 0 HA ILE A 63 6.049 1.316 -5.522 1.00 0.00 H new ATOM 0 HB ILE A 63 3.958 1.785 -7.616 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.246 -0.631 -5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.554 0.840 -5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.637 -0.351 -8.626 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.906 0.888 -8.763 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.053 -0.405 -7.549 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.785 -0.633 -6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.871 0.882 -7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.575 -0.612 -7.700 1.00 0.00 H new ATOM 949 N ASN A 64 6.368 3.492 -7.968 1.00 0.00 N ATOM 950 CA ASN A 64 7.344 4.130 -8.835 1.00 0.00 C ATOM 951 C ASN A 64 8.429 4.786 -7.979 1.00 0.00 C ATOM 952 O ASN A 64 9.616 4.677 -8.284 1.00 0.00 O ATOM 953 CB ASN A 64 6.693 5.221 -9.689 1.00 0.00 C ATOM 954 CG ASN A 64 7.501 5.476 -10.962 1.00 0.00 C ATOM 955 OD1 ASN A 64 8.116 4.586 -11.527 1.00 0.00 O ATOM 956 ND2 ASN A 64 7.466 6.738 -11.382 1.00 0.00 N ATOM 0 H ASN A 64 5.409 3.818 -8.092 1.00 0.00 H new ATOM 0 HA ASN A 64 7.766 3.365 -9.487 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.678 4.924 -9.952 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.617 6.142 -9.112 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.974 7.010 -12.224 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.931 7.434 -10.862 1.00 0.00 H new ATOM 963 N SER A 65 7.984 5.452 -6.924 1.00 0.00 N ATOM 964 CA SER A 65 8.903 6.125 -6.021 1.00 0.00 C ATOM 965 C SER A 65 9.868 5.110 -5.405 1.00 0.00 C ATOM 966 O SER A 65 10.959 5.473 -4.967 1.00 0.00 O ATOM 967 CB SER A 65 8.146 6.872 -4.921 1.00 0.00 C ATOM 968 OG SER A 65 9.001 7.735 -4.177 1.00 0.00 O ATOM 0 H SER A 65 6.999 5.540 -6.674 1.00 0.00 H new ATOM 0 HA SER A 65 9.472 6.857 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.341 7.456 -5.367 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.682 6.152 -4.247 1.00 0.00 H new ATOM 0 HG SER A 65 8.480 8.195 -3.486 1.00 0.00 H new ATOM 974 N GLY A 66 9.433 3.859 -5.392 1.00 0.00 N ATOM 975 CA GLY A 66 10.245 2.790 -4.837 1.00 0.00 C ATOM 976 C GLY A 66 10.873 1.945 -5.948 1.00 0.00 C ATOM 977 O GLY A 66 11.689 1.066 -5.678 1.00 0.00 O ATOM 0 H GLY A 66 8.528 3.562 -5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.029 3.213 -4.209 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.631 2.157 -4.197 1.00 0.00 H new ATOM 981 N GLY A 67 10.467 2.242 -7.174 1.00 0.00 N ATOM 982 CA GLY A 67 10.980 1.521 -8.327 1.00 0.00 C ATOM 983 C GLY A 67 10.184 0.237 -8.569 1.00 0.00 C ATOM 984 O GLY A 67 10.352 -0.418 -9.596 1.00 0.00 O ATOM 0 H GLY A 67 9.789 2.972 -7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.928 2.157 -9.211 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.031 1.278 -8.170 1.00 0.00 H new ATOM 988 N GLY A 68 9.334 -0.085 -7.604 1.00 0.00 N ATOM 989 CA GLY A 68 8.512 -1.279 -7.699 1.00 0.00 C ATOM 990 C GLY A 68 7.670 -1.265 -8.977 1.00 0.00 C ATOM 991 O GLY A 68 7.630 -0.262 -9.687 1.00 0.00 O ATOM 0 H GLY A 68 9.197 0.460 -6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.148 -2.164 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.858 -1.345 -6.829 1.00 0.00 H new ATOM 995 N VAL A 69 7.018 -2.390 -9.230 1.00 0.00 N ATOM 996 CA VAL A 69 6.179 -2.520 -10.410 1.00 0.00 C ATOM 997 C VAL A 69 4.712 -2.364 -10.006 1.00 0.00 C ATOM 998 O VAL A 69 4.388 -2.358 -8.820 1.00 0.00 O ATOM 999 CB VAL A 69 6.468 -3.847 -11.114 1.00 0.00 C ATOM 1000 CG1 VAL A 69 5.446 -4.913 -10.715 1.00 0.00 C ATOM 1001 CG2 VAL A 69 6.506 -3.665 -12.633 1.00 0.00 C ATOM 0 H VAL A 69 7.053 -3.220 -8.638 1.00 0.00 H new ATOM 0 HA VAL A 69 6.404 -1.731 -11.128 1.00 0.00 H new ATOM 0 HB VAL A 69 7.452 -4.189 -10.793 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.674 -5.846 -11.229 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.489 -5.073 -9.638 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.446 -4.581 -10.993 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.713 -4.623 -13.109 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.543 -3.289 -12.979 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.289 -2.953 -12.895 1.00 0.00 H new ATOM 1011 N ARG A 70 3.863 -2.242 -11.016 1.00 0.00 N ATOM 1012 CA ARG A 70 2.438 -2.087 -10.782 1.00 0.00 C ATOM 1013 C ARG A 70 1.642 -2.962 -11.752 1.00 0.00 C ATOM 1014 O ARG A 70 1.213 -2.494 -12.806 1.00 0.00 O ATOM 1015 CB ARG A 70 2.007 -0.629 -10.950 1.00 0.00 C ATOM 1016 CG ARG A 70 0.603 -0.403 -10.386 1.00 0.00 C ATOM 1017 CD ARG A 70 0.032 0.937 -10.856 1.00 0.00 C ATOM 1018 NE ARG A 70 -0.476 0.814 -12.240 1.00 0.00 N ATOM 1019 CZ ARG A 70 -1.633 0.222 -12.566 1.00 0.00 C ATOM 1020 NH1 ARG A 70 -2.409 -0.304 -11.608 1.00 0.00 N ATOM 1021 NH2 ARG A 70 -2.015 0.156 -13.848 1.00 0.00 N ATOM 0 H ARG A 70 4.135 -2.247 -11.999 1.00 0.00 H new ATOM 0 HA ARG A 70 2.235 -2.398 -9.757 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.716 0.024 -10.442 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.026 -0.360 -12.006 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.054 -1.213 -10.702 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.637 -0.426 -9.297 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.773 1.252 -10.191 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.803 1.706 -10.810 1.00 0.00 H new ATOM 0 HE ARG A 70 0.090 1.204 -12.993 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.119 -0.253 -10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.290 -0.755 -11.855 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.425 0.557 -14.577 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.896 -0.295 -14.095 1.00 0.00 H new ATOM 1035 N PHE A 71 1.468 -4.216 -11.362 1.00 0.00 N ATOM 1036 CA PHE A 71 0.731 -5.160 -12.184 1.00 0.00 C ATOM 1037 C PHE A 71 -0.777 -5.017 -11.967 1.00 0.00 C ATOM 1038 O PHE A 71 -1.213 -4.517 -10.931 1.00 0.00 O ATOM 1039 CB PHE A 71 1.165 -6.563 -11.754 1.00 0.00 C ATOM 1040 CG PHE A 71 2.436 -7.061 -12.446 1.00 0.00 C ATOM 1041 CD1 PHE A 71 3.479 -6.212 -12.646 1.00 0.00 C ATOM 1042 CD2 PHE A 71 2.521 -8.353 -12.862 1.00 0.00 C ATOM 1043 CE1 PHE A 71 4.658 -6.674 -13.288 1.00 0.00 C ATOM 1044 CE2 PHE A 71 3.700 -8.815 -13.504 1.00 0.00 C ATOM 1045 CZ PHE A 71 4.743 -7.966 -13.704 1.00 0.00 C ATOM 0 H PHE A 71 1.825 -4.600 -10.487 1.00 0.00 H new ATOM 0 HA PHE A 71 0.938 -4.975 -13.238 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.325 -6.568 -10.676 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.354 -7.262 -11.959 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.411 -5.186 -12.316 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.692 -9.027 -12.704 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.487 -6.000 -13.446 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.768 -9.841 -13.834 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.639 -8.318 -14.193 1.00 0.00 H new ATOM 1055 N ASN A 72 -1.531 -5.465 -12.960 1.00 0.00 N ATOM 1056 CA ASN A 72 -2.980 -5.393 -12.890 1.00 0.00 C ATOM 1057 C ASN A 72 -3.563 -6.804 -13.001 1.00 0.00 C ATOM 1058 O ASN A 72 -4.779 -6.982 -12.959 1.00 0.00 O ATOM 1059 CB ASN A 72 -3.546 -4.556 -14.039 1.00 0.00 C ATOM 1060 CG ASN A 72 -4.072 -3.212 -13.532 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -3.575 -2.644 -12.573 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -5.101 -2.736 -14.227 1.00 0.00 N ATOM 0 H ASN A 72 -1.165 -5.879 -13.817 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.249 -4.931 -11.940 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.771 -4.388 -14.787 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.350 -5.103 -14.530 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.523 -1.844 -13.968 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.468 -3.263 -15.019 1.00 0.00 H new ATOM 1069 N GLN A 73 -2.667 -7.770 -13.140 1.00 0.00 N ATOM 1070 CA GLN A 73 -3.077 -9.159 -13.257 1.00 0.00 C ATOM 1071 C GLN A 73 -2.340 -10.018 -12.228 1.00 0.00 C ATOM 1072 O GLN A 73 -1.186 -9.747 -11.899 1.00 0.00 O ATOM 1073 CB GLN A 73 -2.843 -9.682 -14.676 1.00 0.00 C ATOM 1074 CG GLN A 73 -1.390 -9.469 -15.106 1.00 0.00 C ATOM 1075 CD GLN A 73 -1.069 -10.273 -16.368 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -1.781 -11.187 -16.751 1.00 0.00 O ATOM 1077 NE2 GLN A 73 0.040 -9.883 -16.990 1.00 0.00 N ATOM 0 H GLN A 73 -1.659 -7.618 -13.174 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.146 -9.220 -13.054 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.088 -10.743 -14.721 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.510 -9.171 -15.370 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.213 -8.409 -15.291 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.721 -9.768 -14.300 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.590 -9.110 -16.615 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.341 -10.357 -17.842 1.00 0.00 H new ATOM 1086 N LEU A 74 -3.037 -11.037 -11.747 1.00 0.00 N ATOM 1087 CA LEU A 74 -2.464 -11.938 -10.762 1.00 0.00 C ATOM 1088 C LEU A 74 -1.713 -13.062 -11.480 1.00 0.00 C ATOM 1089 O LEU A 74 -2.293 -13.778 -12.295 1.00 0.00 O ATOM 1090 CB LEU A 74 -3.543 -12.437 -9.799 1.00 0.00 C ATOM 1091 CG LEU A 74 -3.084 -12.730 -8.370 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -1.611 -13.143 -8.341 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -3.364 -11.541 -7.449 1.00 0.00 C ATOM 0 H LEU A 74 -3.994 -11.259 -12.021 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.737 -11.412 -10.144 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.338 -11.692 -9.758 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.979 -13.346 -10.213 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.662 -13.573 -7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.310 -13.346 -7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.473 -14.041 -8.943 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.999 -12.337 -8.746 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.028 -11.776 -6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.830 -10.664 -7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.434 -11.335 -7.436 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.435 -13.181 -11.151 1.00 0.00 N ATOM 1106 CA ASN A 75 0.400 -14.205 -11.755 1.00 0.00 C ATOM 1107 C ASN A 75 1.440 -14.674 -10.736 1.00 0.00 C ATOM 1108 O ASN A 75 1.397 -14.279 -9.572 1.00 0.00 O ATOM 1109 CB ASN A 75 1.146 -13.659 -12.974 1.00 0.00 C ATOM 1110 CG ASN A 75 1.348 -12.147 -12.862 1.00 0.00 C ATOM 1111 OD1 ASN A 75 0.434 -11.358 -13.037 1.00 0.00 O ATOM 1112 ND2 ASN A 75 2.593 -11.788 -12.562 1.00 0.00 N ATOM 0 H ASN A 75 0.042 -12.585 -10.474 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.245 -15.027 -12.065 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.114 -14.153 -13.064 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.586 -13.888 -13.880 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.830 -10.801 -12.465 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.311 -12.500 -12.428 1.00 0.00 H new ATOM 1119 N GLU A 76 2.351 -15.511 -11.210 1.00 0.00 N ATOM 1120 CA GLU A 76 3.401 -16.039 -10.355 1.00 0.00 C ATOM 1121 C GLU A 76 4.530 -15.016 -10.208 1.00 0.00 C ATOM 1122 O GLU A 76 5.238 -15.009 -9.202 1.00 0.00 O ATOM 1123 CB GLU A 76 3.932 -17.368 -10.895 1.00 0.00 C ATOM 1124 CG GLU A 76 2.790 -18.358 -11.133 1.00 0.00 C ATOM 1125 CD GLU A 76 3.320 -19.684 -11.683 1.00 0.00 C ATOM 1126 OE1 GLU A 76 4.120 -20.319 -10.962 1.00 0.00 O ATOM 1127 OE2 GLU A 76 2.914 -20.033 -12.812 1.00 0.00 O ATOM 0 H GLU A 76 2.384 -15.837 -12.176 1.00 0.00 H new ATOM 0 HA GLU A 76 2.978 -16.229 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.470 -17.197 -11.827 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.645 -17.793 -10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.257 -18.535 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.073 -17.930 -11.834 1.00 0.00 H new ATOM 1134 N ASP A 77 4.663 -14.179 -11.225 1.00 0.00 N ATOM 1135 CA ASP A 77 5.693 -13.154 -11.222 1.00 0.00 C ATOM 1136 C ASP A 77 5.481 -12.227 -10.024 1.00 0.00 C ATOM 1137 O ASP A 77 6.442 -11.720 -9.449 1.00 0.00 O ATOM 1138 CB ASP A 77 5.631 -12.306 -12.494 1.00 0.00 C ATOM 1139 CG ASP A 77 5.186 -13.056 -13.751 1.00 0.00 C ATOM 1140 OD1 ASP A 77 5.816 -14.095 -14.044 1.00 0.00 O ATOM 1141 OD2 ASP A 77 4.226 -12.574 -14.390 1.00 0.00 O ATOM 0 H ASP A 77 4.074 -14.189 -12.058 1.00 0.00 H new ATOM 0 HA ASP A 77 6.662 -13.650 -11.167 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.948 -11.474 -12.325 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.617 -11.877 -12.675 1.00 0.00 H new ATOM 1146 N VAL A 78 4.215 -12.033 -9.683 1.00 0.00 N ATOM 1147 CA VAL A 78 3.864 -11.176 -8.564 1.00 0.00 C ATOM 1148 C VAL A 78 4.592 -11.660 -7.309 1.00 0.00 C ATOM 1149 O VAL A 78 4.466 -12.820 -6.922 1.00 0.00 O ATOM 1150 CB VAL A 78 2.344 -11.133 -8.394 1.00 0.00 C ATOM 1151 CG1 VAL A 78 1.957 -10.413 -7.101 1.00 0.00 C ATOM 1152 CG2 VAL A 78 1.675 -10.480 -9.606 1.00 0.00 C ATOM 0 H VAL A 78 3.420 -12.455 -10.163 1.00 0.00 H new ATOM 0 HA VAL A 78 4.186 -10.152 -8.752 1.00 0.00 H new ATOM 0 HB VAL A 78 1.986 -12.160 -8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.871 -10.396 -7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.389 -10.938 -6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.335 -9.391 -7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.595 -10.462 -9.460 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.043 -9.460 -9.719 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.910 -11.052 -10.504 1.00 0.00 H new ATOM 1162 N THR A 79 5.339 -10.745 -6.707 1.00 0.00 N ATOM 1163 CA THR A 79 6.087 -11.064 -5.503 1.00 0.00 C ATOM 1164 C THR A 79 5.380 -10.498 -4.270 1.00 0.00 C ATOM 1165 O THR A 79 5.735 -10.830 -3.139 1.00 0.00 O ATOM 1166 CB THR A 79 7.513 -10.539 -5.680 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.358 -9.124 -5.735 1.00 0.00 O ATOM 1168 CG2 THR A 79 8.106 -10.902 -7.043 1.00 0.00 C ATOM 0 H THR A 79 5.442 -9.783 -7.031 1.00 0.00 H new ATOM 0 HA THR A 79 6.139 -12.141 -5.343 1.00 0.00 H new ATOM 0 HB THR A 79 8.148 -10.940 -4.890 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.424 -8.905 -5.936 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.119 -10.506 -7.116 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.132 -11.986 -7.151 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.490 -10.473 -7.834 1.00 0.00 H new ATOM 1176 N HIS A 80 4.392 -9.654 -4.529 1.00 0.00 N ATOM 1177 CA HIS A 80 3.632 -9.040 -3.454 1.00 0.00 C ATOM 1178 C HIS A 80 2.245 -8.646 -3.966 1.00 0.00 C ATOM 1179 O HIS A 80 2.070 -8.384 -5.155 1.00 0.00 O ATOM 1180 CB HIS A 80 4.398 -7.860 -2.852 1.00 0.00 C ATOM 1181 CG HIS A 80 5.776 -8.216 -2.347 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.828 -8.525 -3.193 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.264 -8.309 -1.077 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.895 -8.791 -2.454 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.543 -8.657 -1.143 1.00 0.00 N ATOM 0 H HIS A 80 4.100 -9.381 -5.468 1.00 0.00 H new ATOM 0 HA HIS A 80 3.493 -9.759 -2.646 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.489 -7.077 -3.605 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.817 -7.445 -2.029 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.788 -8.544 -4.212 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.704 -8.130 -0.171 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.872 -9.066 -2.824 1.00 0.00 H new ATOM 1193 N VAL A 81 1.295 -8.617 -3.043 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.071 -8.259 -3.387 1.00 0.00 C ATOM 1195 C VAL A 81 -0.607 -7.262 -2.357 1.00 0.00 C ATOM 1196 O VAL A 81 -0.936 -7.641 -1.234 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.929 -9.521 -3.500 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.415 -9.167 -3.597 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.491 -10.378 -4.689 1.00 0.00 C ATOM 0 H VAL A 81 1.444 -8.835 -2.058 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.105 -7.770 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.783 -10.107 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.002 -10.082 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.717 -8.618 -2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.585 -8.549 -4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.117 -11.268 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.593 -9.803 -5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.550 -10.674 -4.560 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.678 -6.008 -2.777 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.169 -4.953 -1.906 1.00 0.00 C ATOM 1211 C ILE A 82 -2.696 -4.902 -1.985 1.00 0.00 C ATOM 1212 O ILE A 82 -3.255 -4.496 -3.002 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.490 -3.623 -2.240 1.00 0.00 C ATOM 1214 CG1 ILE A 82 1.026 -3.795 -2.358 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -0.867 -2.545 -1.222 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.741 -3.200 -1.144 1.00 0.00 C ATOM 0 H ILE A 82 -0.404 -5.698 -3.709 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.910 -5.164 -0.868 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.852 -3.289 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.270 -4.854 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.381 -3.310 -3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.371 -1.610 -1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.947 -2.398 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.552 -2.858 -0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.817 -3.336 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.515 -2.136 -1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.402 -3.704 -0.239 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.327 -5.319 -0.897 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.778 -5.325 -0.830 1.00 0.00 C ATOM 1230 C VAL A 83 -5.256 -4.070 -0.097 1.00 0.00 C ATOM 1231 O VAL A 83 -4.892 -3.844 1.056 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.266 -6.620 -0.179 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -6.786 -6.753 -0.295 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.562 -7.837 -0.782 1.00 0.00 C ATOM 0 H VAL A 83 -2.860 -5.655 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.207 -5.299 -1.832 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.013 -6.578 0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.107 -7.682 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.264 -5.910 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.071 -6.762 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.928 -8.744 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.769 -7.884 -1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.487 -7.751 -0.624 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.065 -3.287 -0.795 1.00 0.00 N ATOM 1245 CA GLY A 84 -6.596 -2.061 -0.225 1.00 0.00 C ATOM 1246 C GLY A 84 -7.906 -2.325 0.520 1.00 0.00 C ATOM 1247 O GLY A 84 -8.119 -1.804 1.613 1.00 0.00 O ATOM 0 H GLY A 84 -6.366 -3.478 -1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.866 -1.627 0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.764 -1.331 -1.017 1.00 0.00 H new ATOM 1251 N ASP A 85 -8.750 -3.136 -0.102 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.034 -3.476 0.488 1.00 0.00 C ATOM 1253 C ASP A 85 -10.207 -4.996 0.480 1.00 0.00 C ATOM 1254 O ASP A 85 -10.631 -5.581 1.475 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.186 -2.864 -0.310 1.00 0.00 C ATOM 1256 CG ASP A 85 -11.939 -1.738 0.401 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -11.399 -0.611 0.410 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -13.039 -2.029 0.920 1.00 0.00 O ATOM 0 H ASP A 85 -8.570 -3.567 -1.009 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.053 -3.084 1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.792 -2.480 -1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.895 -3.654 -0.560 1.00 0.00 H new ATOM 1263 N TYR A 86 -9.870 -5.592 -0.655 1.00 0.00 N ATOM 1264 CA TYR A 86 -9.984 -7.032 -0.805 1.00 0.00 C ATOM 1265 C TYR A 86 -9.260 -7.510 -2.066 1.00 0.00 C ATOM 1266 O TYR A 86 -8.789 -6.698 -2.861 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.479 -7.325 -0.948 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.042 -7.023 -2.338 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -12.150 -5.716 -2.769 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -12.443 -8.056 -3.160 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -12.680 -5.432 -4.077 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -12.974 -7.772 -4.468 1.00 0.00 C ATOM 1273 CZ TYR A 86 -13.066 -6.473 -4.862 1.00 0.00 C ATOM 1274 OH TYR A 86 -13.567 -6.205 -6.097 1.00 0.00 O ATOM 0 H TYR A 86 -9.518 -5.104 -1.478 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.538 -7.543 0.048 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.657 -8.375 -0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -12.026 -6.738 -0.210 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.837 -4.907 -2.125 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -12.359 -9.078 -2.822 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.769 -4.414 -4.427 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.292 -8.571 -5.121 1.00 0.00 H new ATOM 0 HH TYR A 86 -13.800 -7.045 -6.545 1.00 0.00 H new ATOM 1284 N ASP A 87 -9.195 -8.826 -2.210 1.00 0.00 N ATOM 1285 CA ASP A 87 -8.537 -9.421 -3.360 1.00 0.00 C ATOM 1286 C ASP A 87 -9.315 -10.662 -3.802 1.00 0.00 C ATOM 1287 O ASP A 87 -9.272 -11.696 -3.136 1.00 0.00 O ATOM 1288 CB ASP A 87 -7.111 -9.855 -3.015 1.00 0.00 C ATOM 1289 CG ASP A 87 -6.986 -10.734 -1.769 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -7.293 -10.214 -0.675 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -6.586 -11.906 -1.939 1.00 0.00 O ATOM 0 H ASP A 87 -9.587 -9.496 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.505 -8.675 -4.154 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.696 -10.396 -3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.500 -8.963 -2.875 1.00 0.00 H new ATOM 1296 N ASP A 88 -10.009 -10.519 -4.921 1.00 0.00 N ATOM 1297 CA ASP A 88 -10.796 -11.616 -5.459 1.00 0.00 C ATOM 1298 C ASP A 88 -9.956 -12.388 -6.479 1.00 0.00 C ATOM 1299 O ASP A 88 -9.874 -13.614 -6.419 1.00 0.00 O ATOM 1300 CB ASP A 88 -12.047 -11.098 -6.172 1.00 0.00 C ATOM 1301 CG ASP A 88 -13.334 -11.160 -5.347 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -13.222 -11.020 -4.110 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -14.400 -11.347 -5.972 1.00 0.00 O ATOM 0 H ASP A 88 -10.043 -9.660 -5.470 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.093 -12.257 -4.629 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.874 -10.064 -6.471 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.191 -11.674 -7.086 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.355 -11.639 -7.391 1.00 0.00 N ATOM 1309 CA GLU A 89 -8.525 -12.238 -8.422 1.00 0.00 C ATOM 1310 C GLU A 89 -7.655 -13.346 -7.826 1.00 0.00 C ATOM 1311 O GLU A 89 -7.655 -14.473 -8.319 1.00 0.00 O ATOM 1312 CB GLU A 89 -7.665 -11.180 -9.117 1.00 0.00 C ATOM 1313 CG GLU A 89 -7.630 -11.408 -10.629 1.00 0.00 C ATOM 1314 CD GLU A 89 -7.291 -12.864 -10.956 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -6.339 -13.379 -10.332 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -7.993 -13.429 -11.823 1.00 0.00 O ATOM 0 H GLU A 89 -9.426 -10.623 -7.438 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.178 -12.680 -9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.062 -10.187 -8.905 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.651 -11.211 -8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.596 -11.150 -11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.891 -10.748 -11.083 1.00 0.00 H new ATOM 1323 N LEU A 90 -6.935 -12.988 -6.773 1.00 0.00 N ATOM 1324 CA LEU A 90 -6.063 -13.939 -6.104 1.00 0.00 C ATOM 1325 C LEU A 90 -6.769 -15.293 -6.009 1.00 0.00 C ATOM 1326 O LEU A 90 -6.266 -16.296 -6.513 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.606 -13.387 -4.752 1.00 0.00 C ATOM 1328 CG LEU A 90 -4.099 -13.418 -4.490 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.628 -12.117 -3.837 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -3.711 -14.647 -3.664 1.00 0.00 C ATOM 0 H LEU A 90 -6.938 -12.053 -6.366 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.153 -14.094 -6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.948 -12.355 -4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.103 -13.952 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.588 -13.500 -5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.553 -12.166 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.850 -11.278 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.144 -11.979 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.635 -14.645 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.231 -14.621 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.990 -15.552 -4.204 1.00 0.00 H new ATOM 1342 N LYS A 91 -7.923 -15.278 -5.359 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.704 -16.492 -5.191 1.00 0.00 C ATOM 1344 C LYS A 91 -8.641 -17.315 -6.479 1.00 0.00 C ATOM 1345 O LYS A 91 -8.547 -18.541 -6.433 1.00 0.00 O ATOM 1346 CB LYS A 91 -10.128 -16.156 -4.745 1.00 0.00 C ATOM 1347 CG LYS A 91 -10.135 -15.561 -3.336 1.00 0.00 C ATOM 1348 CD LYS A 91 -11.517 -15.007 -2.981 1.00 0.00 C ATOM 1349 CE LYS A 91 -11.681 -14.871 -1.466 1.00 0.00 C ATOM 1350 NZ LYS A 91 -13.110 -14.952 -1.091 1.00 0.00 N ATOM 0 H LYS A 91 -8.336 -14.444 -4.942 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.284 -17.109 -4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.575 -15.449 -5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.742 -17.057 -4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.849 -16.325 -2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.392 -14.766 -3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.655 -14.035 -3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.290 -15.667 -3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.121 -15.658 -0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.265 -13.920 -1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.204 -14.858 -0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.635 -14.186 -1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.496 -15.870 -1.392 1.00 0.00 H new ATOM 1364 N GLN A 92 -8.695 -16.609 -7.599 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.646 -17.259 -8.897 1.00 0.00 C ATOM 1366 C GLN A 92 -7.228 -17.755 -9.189 1.00 0.00 C ATOM 1367 O GLN A 92 -7.041 -18.887 -9.632 1.00 0.00 O ATOM 1368 CB GLN A 92 -9.136 -16.319 -10.000 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.431 -15.617 -9.588 1.00 0.00 C ATOM 1370 CD GLN A 92 -11.594 -16.038 -10.489 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -12.089 -15.277 -11.303 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -12.000 -17.291 -10.298 1.00 0.00 N ATOM 0 H GLN A 92 -8.772 -15.593 -7.634 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.314 -18.120 -8.876 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.369 -15.576 -10.217 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.301 -16.884 -10.917 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.665 -15.857 -8.551 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.296 -14.537 -9.643 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.541 -17.875 -9.599 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.770 -17.667 -10.851 1.00 0.00 H new ATOM 1381 N PHE A 93 -6.265 -16.882 -8.929 1.00 0.00 N ATOM 1382 CA PHE A 93 -4.870 -17.217 -9.157 1.00 0.00 C ATOM 1383 C PHE A 93 -4.437 -18.392 -8.278 1.00 0.00 C ATOM 1384 O PHE A 93 -3.547 -19.156 -8.650 1.00 0.00 O ATOM 1385 CB PHE A 93 -4.047 -15.984 -8.782 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.540 -16.239 -8.711 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -1.855 -16.584 -9.835 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -1.885 -16.122 -7.525 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.456 -16.821 -9.769 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -0.487 -16.359 -7.459 1.00 0.00 C ATOM 1391 CZ PHE A 93 0.198 -16.704 -8.582 1.00 0.00 C ATOM 0 H PHE A 93 -6.424 -15.943 -8.563 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.722 -17.504 -10.198 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.238 -15.197 -9.512 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.388 -15.612 -7.816 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.375 -16.678 -10.777 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.429 -15.849 -6.633 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.088 -17.094 -10.661 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.033 -16.265 -6.517 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.261 -16.885 -8.531 1.00 0.00 H new ATOM 1401 N TRP A 94 -5.085 -18.499 -7.128 1.00 0.00 N ATOM 1402 CA TRP A 94 -4.778 -19.568 -6.192 1.00 0.00 C ATOM 1403 C TRP A 94 -5.316 -20.876 -6.775 1.00 0.00 C ATOM 1404 O TRP A 94 -4.911 -21.960 -6.357 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.338 -19.258 -4.803 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.339 -18.574 -3.867 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -3.005 -18.697 -3.853 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -4.651 -17.649 -2.805 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.436 -17.923 -2.862 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -3.469 -17.265 -2.205 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -5.890 -17.152 -2.365 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -3.410 -16.368 -1.131 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -5.815 -16.257 -1.291 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -4.633 -15.861 -0.676 1.00 0.00 C ATOM 0 H TRP A 94 -5.822 -17.863 -6.822 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.701 -19.664 -6.057 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.215 -18.620 -4.910 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.674 -20.187 -4.343 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.445 -19.323 -4.532 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.441 -17.848 -2.651 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -6.827 -17.438 -2.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.472 -16.083 -0.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.740 -15.846 -0.914 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -4.658 -15.165 0.149 1.00 0.00 H new ATOM 1425 N ASN A 95 -6.221 -20.732 -7.733 1.00 0.00 N ATOM 1426 CA ASN A 95 -6.818 -21.889 -8.378 1.00 0.00 C ATOM 1427 C ASN A 95 -6.179 -22.087 -9.754 1.00 0.00 C ATOM 1428 O ASN A 95 -6.628 -22.924 -10.536 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.322 -21.691 -8.579 1.00 0.00 C ATOM 1430 CG ASN A 95 -9.044 -23.037 -8.678 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -8.940 -23.891 -7.813 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -9.778 -23.177 -9.777 1.00 0.00 N ATOM 0 H ASN A 95 -6.555 -19.832 -8.078 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.650 -22.756 -7.739 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.731 -21.115 -7.749 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.498 -21.112 -9.486 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.298 -24.040 -9.936 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.821 -22.422 -10.461 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.141 -21.304 -10.007 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.436 -21.383 -11.275 1.00 0.00 C ATOM 1441 C LYS A 96 -3.035 -21.953 -11.039 1.00 0.00 C ATOM 1442 O LYS A 96 -2.807 -23.147 -11.229 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.436 -20.023 -11.974 1.00 0.00 C ATOM 1444 CG LYS A 96 -5.846 -19.643 -12.433 1.00 0.00 C ATOM 1445 CD LYS A 96 -5.811 -18.959 -13.801 1.00 0.00 C ATOM 1446 CE LYS A 96 -6.947 -19.463 -14.694 1.00 0.00 C ATOM 1447 NZ LYS A 96 -7.140 -18.556 -15.848 1.00 0.00 N ATOM 0 H LYS A 96 -4.771 -20.612 -9.356 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.949 -22.064 -11.954 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.053 -19.261 -11.295 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.765 -20.051 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.469 -20.536 -12.485 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.304 -18.977 -11.701 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.894 -17.880 -13.674 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.852 -19.150 -14.283 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.720 -20.469 -15.048 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.869 -19.529 -14.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.914 -18.912 -16.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.377 -17.603 -15.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.264 -18.514 -16.407 1.00 0.00 H new ATOM 1461 N SER A 97 -2.134 -21.073 -10.629 1.00 0.00 N ATOM 1462 CA SER A 97 -0.762 -21.473 -10.366 1.00 0.00 C ATOM 1463 C SER A 97 -0.568 -21.724 -8.869 1.00 0.00 C ATOM 1464 O SER A 97 -1.328 -21.213 -8.047 1.00 0.00 O ATOM 1465 CB SER A 97 0.225 -20.414 -10.859 1.00 0.00 C ATOM 1466 OG SER A 97 0.245 -20.324 -12.281 1.00 0.00 O ATOM 0 H SER A 97 -2.327 -20.084 -10.472 1.00 0.00 H new ATOM 0 HA SER A 97 -0.565 -22.396 -10.911 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.043 -19.445 -10.438 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.225 -20.654 -10.497 1.00 0.00 H new ATOM 0 HG SER A 97 1.171 -20.246 -12.591 1.00 0.00 H new ATOM 1472 N ALA A 98 0.453 -22.510 -8.561 1.00 0.00 N ATOM 1473 CA ALA A 98 0.756 -22.834 -7.177 1.00 0.00 C ATOM 1474 C ALA A 98 1.829 -21.876 -6.657 1.00 0.00 C ATOM 1475 O ALA A 98 3.018 -22.076 -6.903 1.00 0.00 O ATOM 1476 CB ALA A 98 1.186 -24.299 -7.079 1.00 0.00 C ATOM 0 H ALA A 98 1.081 -22.932 -9.245 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.128 -22.710 -6.551 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.413 -24.543 -6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.379 -24.940 -7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.073 -24.460 -7.692 1.00 0.00 H new ATOM 1482 N HIS A 99 1.372 -20.855 -5.947 1.00 0.00 N ATOM 1483 CA HIS A 99 2.278 -19.865 -5.389 1.00 0.00 C ATOM 1484 C HIS A 99 1.590 -19.131 -4.237 1.00 0.00 C ATOM 1485 O HIS A 99 0.369 -18.980 -4.233 1.00 0.00 O ATOM 1486 CB HIS A 99 2.783 -18.917 -6.479 1.00 0.00 C ATOM 1487 CG HIS A 99 3.420 -17.655 -5.947 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.605 -17.657 -5.232 1.00 0.00 N ATOM 1489 CD2 HIS A 99 3.025 -16.352 -6.035 1.00 0.00 C ATOM 1490 CE1 HIS A 99 4.899 -16.406 -4.909 1.00 0.00 C ATOM 1491 NE2 HIS A 99 3.919 -15.599 -5.407 1.00 0.00 N ATOM 0 H HIS A 99 0.386 -20.692 -5.745 1.00 0.00 H new ATOM 0 HA HIS A 99 3.159 -20.361 -4.982 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.508 -19.445 -7.098 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.949 -18.646 -7.126 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.135 -15.994 -6.532 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.764 -16.082 -4.349 1.00 0.00 H new ATOM 0 HE2 HIS A 99 3.880 -14.584 -5.312 1.00 0.00 H new ATOM 1499 N ARG A 100 2.403 -18.694 -3.287 1.00 0.00 N ATOM 1500 CA ARG A 100 1.888 -17.979 -2.131 1.00 0.00 C ATOM 1501 C ARG A 100 2.499 -16.578 -2.058 1.00 0.00 C ATOM 1502 O ARG A 100 3.555 -16.389 -1.455 1.00 0.00 O ATOM 1503 CB ARG A 100 2.196 -18.731 -0.835 1.00 0.00 C ATOM 1504 CG ARG A 100 0.963 -19.482 -0.330 1.00 0.00 C ATOM 1505 CD ARG A 100 0.063 -18.563 0.498 1.00 0.00 C ATOM 1506 NE ARG A 100 0.745 -18.187 1.756 1.00 0.00 N ATOM 1507 CZ ARG A 100 0.794 -18.964 2.847 1.00 0.00 C ATOM 1508 NH1 ARG A 100 0.201 -20.166 2.840 1.00 0.00 N ATOM 1509 NH2 ARG A 100 1.436 -18.541 3.944 1.00 0.00 N ATOM 0 H ARG A 100 3.415 -18.821 -3.294 1.00 0.00 H new ATOM 0 HA ARG A 100 0.807 -17.902 -2.244 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.011 -19.435 -1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.535 -18.028 -0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.403 -19.879 -1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.274 -20.334 0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.182 -17.668 -0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.878 -19.066 0.721 1.00 0.00 H new ATOM 0 HE ARG A 100 1.207 -17.279 1.796 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.287 -20.489 2.005 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.238 -20.758 3.670 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.888 -17.627 3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.473 -19.133 4.774 1.00 0.00 H new ATOM 1523 N PRO A 101 1.791 -15.608 -2.696 1.00 0.00 N ATOM 1524 CA PRO A 101 2.253 -14.230 -2.708 1.00 0.00 C ATOM 1525 C PRO A 101 2.017 -13.560 -1.353 1.00 0.00 C ATOM 1526 O PRO A 101 1.208 -14.033 -0.556 1.00 0.00 O ATOM 1527 CB PRO A 101 1.485 -13.568 -3.841 1.00 0.00 C ATOM 1528 CG PRO A 101 0.291 -14.467 -4.116 1.00 0.00 C ATOM 1529 CD PRO A 101 0.537 -15.796 -3.419 1.00 0.00 C ATOM 0 HA PRO A 101 3.328 -14.148 -2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.163 -12.565 -3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.109 -13.466 -4.729 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.626 -14.007 -3.748 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.164 -14.616 -5.188 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.279 -16.044 -2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.613 -16.612 -4.138 1.00 0.00 H new ATOM 1537 N HIS A 102 2.737 -12.470 -1.134 1.00 0.00 N ATOM 1538 CA HIS A 102 2.615 -11.730 0.110 1.00 0.00 C ATOM 1539 C HIS A 102 1.448 -10.747 0.011 1.00 0.00 C ATOM 1540 O HIS A 102 1.574 -9.689 -0.604 1.00 0.00 O ATOM 1541 CB HIS A 102 3.937 -11.048 0.468 1.00 0.00 C ATOM 1542 CG HIS A 102 5.134 -11.968 0.430 1.00 0.00 C ATOM 1543 ND1 HIS A 102 5.081 -13.284 0.855 1.00 0.00 N ATOM 1544 CD2 HIS A 102 6.414 -11.749 0.012 1.00 0.00 C ATOM 1545 CE1 HIS A 102 6.281 -13.823 0.697 1.00 0.00 C ATOM 1546 NE2 HIS A 102 7.106 -12.870 0.175 1.00 0.00 N ATOM 0 H HIS A 102 3.407 -12.081 -1.797 1.00 0.00 H new ATOM 0 HA HIS A 102 2.395 -12.418 0.926 1.00 0.00 H new ATOM 0 HB2 HIS A 102 4.106 -10.221 -0.222 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.854 -10.619 1.466 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.799 -10.821 -0.384 1.00 0.00 H new ATOM 0 HE1 HIS A 102 6.558 -14.839 0.939 1.00 0.00 H new ATOM 0 HE2 HIS A 102 8.092 -12.998 -0.053 1.00 0.00 H new ATOM 1554 N VAL A 103 0.339 -11.130 0.625 1.00 0.00 N ATOM 1555 CA VAL A 103 -0.851 -10.295 0.613 1.00 0.00 C ATOM 1556 C VAL A 103 -0.831 -9.371 1.832 1.00 0.00 C ATOM 1557 O VAL A 103 -0.983 -9.827 2.964 1.00 0.00 O ATOM 1558 CB VAL A 103 -2.104 -11.170 0.547 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -3.372 -10.319 0.640 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -2.109 -12.025 -0.722 1.00 0.00 C ATOM 0 H VAL A 103 0.239 -12.008 1.135 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.866 -9.663 -0.275 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.089 -11.843 1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.248 -10.965 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.376 -9.774 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.396 -9.611 -0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.010 -12.638 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.089 -11.376 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.231 -12.671 -0.729 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.642 -8.088 1.559 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.601 -7.095 2.619 1.00 0.00 C ATOM 1572 C VAL A 104 -1.370 -5.849 2.175 1.00 0.00 C ATOM 1573 O VAL A 104 -1.791 -5.752 1.023 1.00 0.00 O ATOM 1574 CB VAL A 104 0.851 -6.798 3.001 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.523 -8.033 3.602 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.638 -6.275 1.797 1.00 0.00 C ATOM 0 H VAL A 104 -0.516 -7.713 0.619 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.088 -7.474 3.517 1.00 0.00 H new ATOM 0 HB VAL A 104 0.845 -6.017 3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.554 -7.795 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.983 -8.342 4.497 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.512 -8.844 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.667 -6.072 2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.631 -7.024 1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.178 -5.357 1.432 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.529 -4.926 3.112 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.240 -3.690 2.832 1.00 0.00 C ATOM 1588 C GLY A 105 -1.263 -2.552 2.531 1.00 0.00 C ATOM 1589 O GLY A 105 -0.133 -2.555 3.017 1.00 0.00 O ATOM 0 H GLY A 105 -1.178 -5.009 4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.908 -3.835 1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.863 -3.423 3.686 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.734 -1.606 1.732 1.00 0.00 N ATOM 1594 CA ALA A 106 -0.916 -0.463 1.362 1.00 0.00 C ATOM 1595 C ALA A 106 -0.155 0.034 2.592 1.00 0.00 C ATOM 1596 O ALA A 106 1.006 0.428 2.491 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.802 0.621 0.746 1.00 0.00 C ATOM 0 H ALA A 106 -2.672 -1.607 1.330 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.178 -0.746 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.188 1.478 0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.296 0.226 -0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.554 0.932 1.471 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.840 0.000 3.726 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.243 0.443 4.974 1.00 0.00 C ATOM 1605 C LYS A 107 1.213 -0.024 5.032 1.00 0.00 C ATOM 1606 O LYS A 107 2.066 0.660 5.596 1.00 0.00 O ATOM 1607 CB LYS A 107 -1.085 -0.019 6.165 1.00 0.00 C ATOM 1608 CG LYS A 107 -1.019 0.994 7.309 1.00 0.00 C ATOM 1609 CD LYS A 107 -2.200 0.818 8.266 1.00 0.00 C ATOM 1610 CE LYS A 107 -1.768 1.036 9.717 1.00 0.00 C ATOM 1611 NZ LYS A 107 -2.881 0.727 10.642 1.00 0.00 N ATOM 0 H LYS A 107 -1.803 -0.328 3.806 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.231 1.532 5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.121 -0.153 5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.729 -0.989 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.083 0.872 7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.022 2.006 6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.990 1.524 8.008 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.618 -0.183 8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.911 0.403 9.946 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.448 2.069 9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.570 0.880 11.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.688 1.348 10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.168 -0.265 10.521 1.00 0.00 H new ATOM 1625 N TRP A 108 1.452 -1.186 4.442 1.00 0.00 N ATOM 1626 CA TRP A 108 2.790 -1.753 4.420 1.00 0.00 C ATOM 1627 C TRP A 108 3.670 -0.853 3.551 1.00 0.00 C ATOM 1628 O TRP A 108 4.561 -0.173 4.059 1.00 0.00 O ATOM 1629 CB TRP A 108 2.762 -3.205 3.939 1.00 0.00 C ATOM 1630 CG TRP A 108 4.143 -3.782 3.621 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.032 -4.311 4.473 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.760 -3.867 2.320 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.173 -4.729 3.818 1.00 0.00 N ATOM 1634 CE2 TRP A 108 6.002 -4.451 2.467 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.285 -3.464 1.059 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.872 -4.684 1.395 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 5.166 -3.704 -0.002 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.419 -4.290 0.130 1.00 0.00 C ATOM 0 H TRP A 108 0.742 -1.750 3.976 1.00 0.00 H new ATOM 0 HA TRP A 108 3.211 -1.787 5.425 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.289 -3.821 4.704 1.00 0.00 H new ATOM 0 HB3 TRP A 108 2.138 -3.270 3.047 1.00 0.00 H new ATOM 0 HD1 TRP A 108 4.875 -4.399 5.538 1.00 0.00 H new ATOM 0 HE1 TRP A 108 6.991 -5.162 4.247 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.317 -3.006 0.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.840 -5.143 1.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.850 -3.413 -0.993 1.00 0.00 H new ATOM 0 HH2 TRP A 108 7.041 -4.441 -0.740 1.00 0.00 H new ATOM 1649 N LEU A 109 3.391 -0.877 2.256 1.00 0.00 N ATOM 1650 CA LEU A 109 4.147 -0.072 1.312 1.00 0.00 C ATOM 1651 C LEU A 109 4.407 1.308 1.920 1.00 0.00 C ATOM 1652 O LEU A 109 5.538 1.792 1.907 1.00 0.00 O ATOM 1653 CB LEU A 109 3.434 -0.023 -0.041 1.00 0.00 C ATOM 1654 CG LEU A 109 4.277 0.454 -1.226 1.00 0.00 C ATOM 1655 CD1 LEU A 109 5.563 -0.366 -1.349 1.00 0.00 C ATOM 1656 CD2 LEU A 109 3.462 0.438 -2.520 1.00 0.00 C ATOM 0 H LEU A 109 2.651 -1.442 1.838 1.00 0.00 H new ATOM 0 HA LEU A 109 5.120 -0.524 1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.057 -1.020 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.568 0.632 0.050 1.00 0.00 H new ATOM 0 HG LEU A 109 4.570 1.488 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.144 -0.007 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.151 -0.260 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.312 -1.416 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.084 0.781 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.119 -0.577 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.601 1.098 -2.416 1.00 0.00 H new ATOM 1668 N LEU A 110 3.342 1.902 2.437 1.00 0.00 N ATOM 1669 CA LEU A 110 3.441 3.217 3.048 1.00 0.00 C ATOM 1670 C LEU A 110 4.594 3.221 4.054 1.00 0.00 C ATOM 1671 O LEU A 110 5.562 3.963 3.891 1.00 0.00 O ATOM 1672 CB LEU A 110 2.097 3.630 3.652 1.00 0.00 C ATOM 1673 CG LEU A 110 0.902 3.623 2.696 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.384 4.021 3.423 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.170 4.510 1.478 1.00 0.00 C ATOM 0 H LEU A 110 2.406 1.497 2.446 1.00 0.00 H new ATOM 0 HA LEU A 110 3.671 3.971 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.875 2.963 4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.200 4.633 4.066 1.00 0.00 H new ATOM 0 HG LEU A 110 0.763 2.606 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.218 4.008 2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.579 3.315 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.273 5.024 3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.306 4.488 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.349 5.534 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.046 4.141 0.945 1.00 0.00 H new ATOM 1687 N GLU A 111 4.453 2.385 5.072 1.00 0.00 N ATOM 1688 CA GLU A 111 5.470 2.283 6.104 1.00 0.00 C ATOM 1689 C GLU A 111 6.844 2.045 5.473 1.00 0.00 C ATOM 1690 O GLU A 111 7.834 2.644 5.889 1.00 0.00 O ATOM 1691 CB GLU A 111 5.127 1.178 7.105 1.00 0.00 C ATOM 1692 CG GLU A 111 3.767 1.432 7.757 1.00 0.00 C ATOM 1693 CD GLU A 111 3.932 2.019 9.160 1.00 0.00 C ATOM 1694 OE1 GLU A 111 4.490 3.135 9.246 1.00 0.00 O ATOM 1695 OE2 GLU A 111 3.496 1.340 10.114 1.00 0.00 O ATOM 0 H GLU A 111 3.649 1.772 5.204 1.00 0.00 H new ATOM 0 HA GLU A 111 5.501 3.225 6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.117 0.213 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.899 1.126 7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.186 2.116 7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.207 0.499 7.813 1.00 0.00 H new ATOM 1702 N CYS A 112 6.859 1.169 4.479 1.00 0.00 N ATOM 1703 CA CYS A 112 8.095 0.844 3.787 1.00 0.00 C ATOM 1704 C CYS A 112 8.746 2.150 3.328 1.00 0.00 C ATOM 1705 O CYS A 112 9.897 2.425 3.665 1.00 0.00 O ATOM 1706 CB CYS A 112 7.853 -0.115 2.619 1.00 0.00 C ATOM 1707 SG CYS A 112 7.157 -1.691 3.236 1.00 0.00 S ATOM 0 H CYS A 112 6.035 0.674 4.136 1.00 0.00 H new ATOM 0 HA CYS A 112 8.769 0.323 4.466 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.169 0.338 1.902 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.789 -0.303 2.092 1.00 0.00 H new ATOM 0 HG CYS A 112 7.039 -2.529 2.249 1.00 0.00 H new ATOM 1713 N PHE A 113 7.982 2.920 2.568 1.00 0.00 N ATOM 1714 CA PHE A 113 8.470 4.190 2.060 1.00 0.00 C ATOM 1715 C PHE A 113 8.669 5.196 3.196 1.00 0.00 C ATOM 1716 O PHE A 113 9.171 6.296 2.975 1.00 0.00 O ATOM 1717 CB PHE A 113 7.407 4.727 1.100 1.00 0.00 C ATOM 1718 CG PHE A 113 7.499 4.152 -0.315 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.471 4.584 -1.163 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.609 3.210 -0.726 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.556 4.051 -2.476 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.694 2.676 -2.039 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.666 3.108 -2.887 1.00 0.00 C ATOM 0 H PHE A 113 7.028 2.689 2.292 1.00 0.00 H new ATOM 0 HA PHE A 113 9.430 4.047 1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.420 4.507 1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.495 5.812 1.047 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.178 5.333 -0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.837 2.868 -0.053 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.328 4.394 -3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 113 5.987 1.927 -2.364 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.731 2.703 -3.886 1.00 0.00 H new ATOM 1733 N SER A 114 8.264 4.781 4.387 1.00 0.00 N ATOM 1734 CA SER A 114 8.391 5.631 5.559 1.00 0.00 C ATOM 1735 C SER A 114 9.750 5.406 6.224 1.00 0.00 C ATOM 1736 O SER A 114 10.412 6.360 6.630 1.00 0.00 O ATOM 1737 CB SER A 114 7.261 5.367 6.556 1.00 0.00 C ATOM 1738 OG SER A 114 6.377 6.479 6.668 1.00 0.00 O ATOM 0 H SER A 114 7.848 3.867 4.566 1.00 0.00 H new ATOM 0 HA SER A 114 8.319 6.670 5.237 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.699 4.487 6.242 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.686 5.142 7.534 1.00 0.00 H new ATOM 0 HG SER A 114 5.877 6.416 7.508 1.00 0.00 H new ATOM 1744 N LYS A 115 10.126 4.139 6.315 1.00 0.00 N ATOM 1745 CA LYS A 115 11.394 3.776 6.925 1.00 0.00 C ATOM 1746 C LYS A 115 12.503 3.864 5.874 1.00 0.00 C ATOM 1747 O LYS A 115 13.666 4.079 6.211 1.00 0.00 O ATOM 1748 CB LYS A 115 11.292 2.407 7.599 1.00 0.00 C ATOM 1749 CG LYS A 115 10.264 2.428 8.731 1.00 0.00 C ATOM 1750 CD LYS A 115 8.871 2.060 8.214 1.00 0.00 C ATOM 1751 CE LYS A 115 8.086 1.275 9.266 1.00 0.00 C ATOM 1752 NZ LYS A 115 7.101 2.152 9.938 1.00 0.00 N ATOM 0 H LYS A 115 9.575 3.351 5.976 1.00 0.00 H new ATOM 0 HA LYS A 115 11.650 4.477 7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.011 1.655 6.862 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.266 2.118 7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.563 1.728 9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.237 3.419 9.185 1.00 0.00 H new ATOM 0 HD2 LYS A 115 8.326 2.966 7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.962 1.466 7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.573 0.436 8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.772 0.857 10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.530 1.589 10.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.601 2.900 10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.478 2.584 9.226 1.00 0.00 H new ATOM 1766 N GLY A 116 12.103 3.693 4.622 1.00 0.00 N ATOM 1767 CA GLY A 116 13.049 3.750 3.521 1.00 0.00 C ATOM 1768 C GLY A 116 13.317 2.354 2.955 1.00 0.00 C ATOM 1769 O GLY A 116 13.803 2.217 1.834 1.00 0.00 O ATOM 0 H GLY A 116 11.137 3.515 4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.659 4.396 2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.984 4.193 3.863 1.00 0.00 H new ATOM 1773 N TYR A 117 12.988 1.352 3.758 1.00 0.00 N ATOM 1774 CA TYR A 117 13.187 -0.029 3.352 1.00 0.00 C ATOM 1775 C TYR A 117 11.906 -0.844 3.535 1.00 0.00 C ATOM 1776 O TYR A 117 10.954 -0.380 4.161 1.00 0.00 O ATOM 1777 CB TYR A 117 14.270 -0.588 4.276 1.00 0.00 C ATOM 1778 CG TYR A 117 14.056 -0.261 5.755 1.00 0.00 C ATOM 1779 CD1 TYR A 117 12.886 -0.639 6.383 1.00 0.00 C ATOM 1780 CD2 TYR A 117 15.032 0.411 6.462 1.00 0.00 C ATOM 1781 CE1 TYR A 117 12.685 -0.331 7.775 1.00 0.00 C ATOM 1782 CE2 TYR A 117 14.830 0.719 7.854 1.00 0.00 C ATOM 1783 CZ TYR A 117 13.667 0.333 8.442 1.00 0.00 C ATOM 1784 OH TYR A 117 13.476 0.623 9.757 1.00 0.00 O ATOM 0 H TYR A 117 12.585 1.469 4.688 1.00 0.00 H new ATOM 0 HA TYR A 117 13.466 -0.083 2.300 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.312 -1.671 4.156 1.00 0.00 H new ATOM 0 HB3 TYR A 117 15.238 -0.195 3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 117 12.122 -1.165 5.830 1.00 0.00 H new ATOM 0 HD2 TYR A 117 15.948 0.706 5.971 1.00 0.00 H new ATOM 0 HE1 TYR A 117 11.775 -0.621 8.278 1.00 0.00 H new ATOM 0 HE2 TYR A 117 15.586 1.245 8.418 1.00 0.00 H new ATOM 0 HH TYR A 117 14.260 1.098 10.104 1.00 0.00 H new ATOM 1794 N MET A 118 11.922 -2.046 2.977 1.00 0.00 N ATOM 1795 CA MET A 118 10.774 -2.931 3.071 1.00 0.00 C ATOM 1796 C MET A 118 10.639 -3.506 4.483 1.00 0.00 C ATOM 1797 O MET A 118 11.640 -3.779 5.144 1.00 0.00 O ATOM 1798 CB MET A 118 10.926 -4.074 2.066 1.00 0.00 C ATOM 1799 CG MET A 118 10.718 -3.577 0.634 1.00 0.00 C ATOM 1800 SD MET A 118 11.235 -4.829 -0.528 1.00 0.00 S ATOM 1801 CE MET A 118 9.643 -5.462 -1.029 1.00 0.00 C ATOM 0 H MET A 118 12.713 -2.428 2.458 1.00 0.00 H new ATOM 0 HA MET A 118 9.876 -2.355 2.846 1.00 0.00 H new ATOM 0 HB2 MET A 118 11.918 -4.517 2.161 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.204 -4.859 2.291 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.668 -3.332 0.474 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.287 -2.661 0.472 1.00 0.00 H new ATOM 0 HE1 MET A 118 9.783 -6.294 -1.719 1.00 0.00 H new ATOM 0 HE2 MET A 118 9.096 -5.806 -0.151 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.077 -4.673 -1.523 1.00 0.00 H new ATOM 1811 N LEU A 119 9.393 -3.674 4.903 1.00 0.00 N ATOM 1812 CA LEU A 119 9.115 -4.211 6.223 1.00 0.00 C ATOM 1813 C LEU A 119 8.476 -5.594 6.082 1.00 0.00 C ATOM 1814 O LEU A 119 8.230 -6.058 4.969 1.00 0.00 O ATOM 1815 CB LEU A 119 8.274 -3.226 7.037 1.00 0.00 C ATOM 1816 CG LEU A 119 8.428 -1.749 6.669 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.137 -0.977 6.946 1.00 0.00 C ATOM 1818 CD2 LEU A 119 9.631 -1.129 7.383 1.00 0.00 C ATOM 0 H LEU A 119 8.565 -3.447 4.352 1.00 0.00 H new ATOM 0 HA LEU A 119 10.041 -4.342 6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.224 -3.499 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.528 -3.346 8.090 1.00 0.00 H new ATOM 0 HG LEU A 119 8.619 -1.682 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.274 0.070 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.325 -1.401 6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 119 6.890 -1.049 8.005 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.718 -0.079 7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 119 9.494 -1.208 8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.539 -1.658 7.093 1.00 0.00 H new ATOM 1830 N SER A 120 8.225 -6.215 7.225 1.00 0.00 N ATOM 1831 CA SER A 120 7.620 -7.536 7.242 1.00 0.00 C ATOM 1832 C SER A 120 6.178 -7.457 6.738 1.00 0.00 C ATOM 1833 O SER A 120 5.514 -6.435 6.901 1.00 0.00 O ATOM 1834 CB SER A 120 7.658 -8.141 8.647 1.00 0.00 C ATOM 1835 OG SER A 120 8.990 -8.414 9.075 1.00 0.00 O ATOM 0 H SER A 120 8.430 -5.828 8.146 1.00 0.00 H new ATOM 0 HA SER A 120 8.195 -8.184 6.581 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.185 -7.455 9.350 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.077 -9.063 8.661 1.00 0.00 H new ATOM 0 HG SER A 120 8.972 -8.797 9.977 1.00 0.00 H new ATOM 1841 N GLU A 121 5.735 -8.551 6.135 1.00 0.00 N ATOM 1842 CA GLU A 121 4.384 -8.618 5.605 1.00 0.00 C ATOM 1843 C GLU A 121 3.448 -9.278 6.620 1.00 0.00 C ATOM 1844 O GLU A 121 2.263 -8.954 6.680 1.00 0.00 O ATOM 1845 CB GLU A 121 4.355 -9.363 4.269 1.00 0.00 C ATOM 1846 CG GLU A 121 4.961 -8.509 3.153 1.00 0.00 C ATOM 1847 CD GLU A 121 6.097 -9.254 2.448 1.00 0.00 C ATOM 1848 OE1 GLU A 121 6.045 -10.503 2.452 1.00 0.00 O ATOM 1849 OE2 GLU A 121 6.991 -8.558 1.921 1.00 0.00 O ATOM 0 H GLU A 121 6.288 -9.398 6.002 1.00 0.00 H new ATOM 0 HA GLU A 121 4.035 -7.601 5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.908 -10.298 4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.327 -9.623 4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.189 -8.248 2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.337 -7.574 3.569 1.00 0.00 H new ATOM 1856 N GLU A 122 4.016 -10.192 7.394 1.00 0.00 N ATOM 1857 CA GLU A 122 3.247 -10.900 8.403 1.00 0.00 C ATOM 1858 C GLU A 122 2.480 -9.907 9.279 1.00 0.00 C ATOM 1859 O GLU A 122 1.296 -10.100 9.551 1.00 0.00 O ATOM 1860 CB GLU A 122 4.152 -11.795 9.252 1.00 0.00 C ATOM 1861 CG GLU A 122 4.358 -13.156 8.585 1.00 0.00 C ATOM 1862 CD GLU A 122 4.957 -14.164 9.568 1.00 0.00 C ATOM 1863 OE1 GLU A 122 6.152 -13.997 9.895 1.00 0.00 O ATOM 1864 OE2 GLU A 122 4.207 -15.079 9.971 1.00 0.00 O ATOM 0 H GLU A 122 4.999 -10.458 7.342 1.00 0.00 H new ATOM 0 HA GLU A 122 2.525 -11.542 7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.116 -11.308 9.399 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.711 -11.933 10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.405 -13.530 8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.017 -13.047 7.724 1.00 0.00 H new ATOM 1871 N PRO A 123 3.205 -8.839 9.707 1.00 0.00 N ATOM 1872 CA PRO A 123 2.605 -7.816 10.547 1.00 0.00 C ATOM 1873 C PRO A 123 1.683 -6.908 9.730 1.00 0.00 C ATOM 1874 O PRO A 123 1.118 -5.952 10.261 1.00 0.00 O ATOM 1875 CB PRO A 123 3.779 -7.073 11.161 1.00 0.00 C ATOM 1876 CG PRO A 123 4.981 -7.400 10.290 1.00 0.00 C ATOM 1877 CD PRO A 123 4.609 -8.578 9.405 1.00 0.00 C ATOM 0 HA PRO A 123 1.964 -8.232 11.324 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.593 -5.999 11.183 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.946 -7.389 12.191 1.00 0.00 H new ATOM 0 HG2 PRO A 123 5.258 -6.538 9.682 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.845 -7.645 10.908 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.750 -8.341 8.350 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.229 -9.448 9.622 1.00 0.00 H new ATOM 1885 N TYR A 124 1.560 -7.237 8.453 1.00 0.00 N ATOM 1886 CA TYR A 124 0.717 -6.463 7.558 1.00 0.00 C ATOM 1887 C TYR A 124 -0.031 -7.375 6.584 1.00 0.00 C ATOM 1888 O TYR A 124 -0.100 -7.091 5.389 1.00 0.00 O ATOM 1889 CB TYR A 124 1.663 -5.558 6.766 1.00 0.00 C ATOM 1890 CG TYR A 124 2.177 -4.352 7.555 1.00 0.00 C ATOM 1891 CD1 TYR A 124 1.390 -3.225 7.683 1.00 0.00 C ATOM 1892 CD2 TYR A 124 3.426 -4.391 8.139 1.00 0.00 C ATOM 1893 CE1 TYR A 124 1.874 -2.090 8.425 1.00 0.00 C ATOM 1894 CE2 TYR A 124 3.910 -3.257 8.882 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.110 -2.162 8.988 1.00 0.00 C ATOM 1896 OH TYR A 124 3.566 -1.090 9.690 1.00 0.00 O ATOM 0 H TYR A 124 2.030 -8.030 8.016 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.026 -5.900 8.122 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.515 -6.148 6.428 1.00 0.00 H new ATOM 0 HB3 TYR A 124 1.147 -5.203 5.874 1.00 0.00 H new ATOM 0 HD1 TYR A 124 0.412 -3.195 7.227 1.00 0.00 H new ATOM 0 HD2 TYR A 124 4.041 -5.273 8.039 1.00 0.00 H new ATOM 0 HE1 TYR A 124 1.269 -1.202 8.532 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.886 -3.275 9.345 1.00 0.00 H new ATOM 0 HH TYR A 124 2.909 -0.364 9.643 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.574 -8.453 7.131 1.00 0.00 N ATOM 1907 CA ILE A 125 -1.315 -9.409 6.326 1.00 0.00 C ATOM 1908 C ILE A 125 -2.776 -8.965 6.231 1.00 0.00 C ATOM 1909 O ILE A 125 -3.320 -8.400 7.180 1.00 0.00 O ATOM 1910 CB ILE A 125 -1.137 -10.825 6.876 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.340 -11.222 6.902 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.986 -11.829 6.092 1.00 0.00 C ATOM 1913 CD1 ILE A 125 0.887 -11.396 5.484 1.00 0.00 C ATOM 0 H ILE A 125 -0.515 -8.685 8.122 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.923 -9.436 5.309 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.492 -10.838 7.906 1.00 0.00 H new ATOM 0 HG12 ILE A 125 0.916 -10.459 7.427 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.460 -12.151 7.459 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.841 -12.828 6.504 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.038 -11.554 6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.684 -11.821 5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.939 -11.678 5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.325 -12.176 4.970 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.787 -10.458 4.938 1.00 0.00 H new ATOM 1925 N HIS A 126 -3.371 -9.237 5.079 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.759 -8.873 4.849 1.00 0.00 C ATOM 1927 C HIS A 126 -5.635 -10.125 4.910 1.00 0.00 C ATOM 1928 O HIS A 126 -5.575 -10.974 4.021 1.00 0.00 O ATOM 1929 CB HIS A 126 -4.908 -8.109 3.532 1.00 0.00 C ATOM 1930 CG HIS A 126 -6.278 -7.509 3.322 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -6.616 -6.240 3.759 1.00 0.00 N ATOM 1932 CD2 HIS A 126 -7.390 -8.017 2.717 1.00 0.00 C ATOM 1933 CE1 HIS A 126 -7.877 -6.006 3.427 1.00 0.00 C ATOM 1934 NE2 HIS A 126 -8.355 -7.108 2.782 1.00 0.00 N ATOM 0 H HIS A 126 -2.917 -9.705 4.295 1.00 0.00 H new ATOM 0 HA HIS A 126 -5.097 -8.197 5.635 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.165 -7.312 3.500 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.688 -8.784 2.705 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -7.471 -8.993 2.262 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -8.430 -5.101 3.631 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -9.299 -7.216 2.411 1.00 0.00 H new ATOM 1942 N SER A 127 -6.429 -10.202 5.968 1.00 0.00 N ATOM 1943 CA SER A 127 -7.317 -11.336 6.157 1.00 0.00 C ATOM 1944 C SER A 127 -8.775 -10.874 6.109 1.00 0.00 C ATOM 1945 O SER A 127 -9.596 -11.471 5.415 1.00 0.00 O ATOM 1946 CB SER A 127 -7.028 -12.047 7.481 1.00 0.00 C ATOM 1947 OG SER A 127 -7.961 -13.092 7.740 1.00 0.00 O ATOM 0 H SER A 127 -6.476 -9.497 6.704 1.00 0.00 H new ATOM 0 HA SER A 127 -7.142 -12.046 5.349 1.00 0.00 H new ATOM 0 HB2 SER A 127 -6.019 -12.459 7.459 1.00 0.00 H new ATOM 0 HB3 SER A 127 -7.059 -11.323 8.295 1.00 0.00 H new ATOM 0 HG SER A 127 -7.742 -13.522 8.593 1.00 0.00 H new