USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 590 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 93 SER OG : rot -101:sc= 0.202 USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0.404 USER MOD Set 2.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 54 ASN :FLIP amide:sc= -1.3! C(o=-2.1!,f=-1.3!) USER MOD Set 3.1: A 35 HIS :FLIP no HD1:sc= -1.52 F(o=-3.6!,f=-0.69) USER MOD Set 3.2: A 108 SER OG : rot -49:sc= 0.833 USER MOD Single : A 31 SER OG : rot 38:sc= 1.15 USER MOD Single : A 41 GLN : amide:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.871 F(o=-3.7!,f=-0.87) USER MOD Single : A 61 GLN :FLIP amide:sc= -3.37! C(o=-6.5!,f=-3.4!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.969 USER MOD Single : A 71 THR OG1 : rot -68:sc= 0.245 USER MOD Single : A 80 SER OG : rot 135:sc= -0.105! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -20:sc= -0.184! USER MOD Single : A 92 THR OG1 : rot 4:sc= -0.445 USER MOD Single : A 94 SER OG : rot 180:sc= 0.174 USER MOD Single : A 96 SER OG : rot 7:sc= 0.076! USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0193 USER MOD Single : A 101 THR OG1 : rot -139:sc= -1.15 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= -1.76! USER MOD Single : A 106 ASN : amide:sc= -2.31! C(o=-2.3!,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 28 -11.863 2.535 4.969 1.00 0.00 N ATOM 213 CA GLU A 28 -11.757 1.537 3.886 1.00 0.00 C ATOM 214 C GLU A 28 -11.402 2.285 2.606 1.00 0.00 C ATOM 215 O GLU A 28 -11.330 3.498 2.568 1.00 0.00 O ATOM 216 CB GLU A 28 -13.104 0.823 3.720 1.00 0.00 C ATOM 217 CG GLU A 28 -13.253 -0.225 4.828 1.00 0.00 C ATOM 218 CD GLU A 28 -14.534 -1.026 4.584 1.00 0.00 C ATOM 219 OE1 GLU A 28 -15.583 -0.408 4.668 1.00 0.00 O ATOM 220 OE2 GLU A 28 -14.389 -2.209 4.326 1.00 0.00 O ATOM 0 HA GLU A 28 -10.995 0.792 4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.921 1.543 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.159 0.347 2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.389 -0.889 4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.292 0.260 5.803 1.00 0.00 H new ATOM 227 N VAL A 29 -11.029 1.510 1.639 1.00 0.00 N ATOM 228 CA VAL A 29 -10.703 2.068 0.296 1.00 0.00 C ATOM 229 C VAL A 29 -10.737 0.967 -0.753 1.00 0.00 C ATOM 230 O VAL A 29 -11.571 0.946 -1.634 1.00 0.00 O ATOM 231 CB VAL A 29 -9.327 2.731 0.312 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.629 2.514 -1.035 1.00 0.00 C ATOM 233 CG2 VAL A 29 -9.520 4.236 0.474 1.00 0.00 C ATOM 0 H VAL A 29 -10.933 0.498 1.717 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.450 2.820 0.045 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.735 2.306 1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.648 2.989 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.511 1.446 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.230 2.953 -1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.548 4.728 0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.109 4.619 -0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -10.042 4.437 1.410 1.00 0.00 H new ATOM 243 N GLU A 30 -9.808 0.064 -0.603 1.00 0.00 N ATOM 244 CA GLU A 30 -9.722 -1.047 -1.592 1.00 0.00 C ATOM 245 C GLU A 30 -9.499 -2.415 -0.950 1.00 0.00 C ATOM 246 O GLU A 30 -8.386 -2.788 -0.632 1.00 0.00 O ATOM 247 CB GLU A 30 -8.566 -0.758 -2.548 1.00 0.00 C ATOM 248 CG GLU A 30 -8.613 -1.769 -3.703 1.00 0.00 C ATOM 249 CD GLU A 30 -7.452 -1.511 -4.672 1.00 0.00 C ATOM 250 OE1 GLU A 30 -6.868 -0.445 -4.566 1.00 0.00 O ATOM 251 OE2 GLU A 30 -7.223 -2.401 -5.476 1.00 0.00 O ATOM 0 H GLU A 30 -9.117 0.045 0.147 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.679 -1.092 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.641 0.259 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.614 -0.830 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.552 -2.784 -3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.563 -1.687 -4.231 1.00 0.00 H new ATOM 258 N SER A 31 -10.575 -3.126 -0.768 1.00 0.00 N ATOM 259 CA SER A 31 -10.457 -4.495 -0.187 1.00 0.00 C ATOM 260 C SER A 31 -10.347 -5.510 -1.330 1.00 0.00 C ATOM 261 O SER A 31 -11.328 -5.876 -1.947 1.00 0.00 O ATOM 262 CB SER A 31 -11.694 -4.798 0.657 1.00 0.00 C ATOM 263 OG SER A 31 -12.782 -4.560 -0.224 1.00 0.00 O ATOM 0 H SER A 31 -11.523 -2.824 -0.993 1.00 0.00 H new ATOM 0 HA SER A 31 -9.571 -4.557 0.445 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.689 -5.827 1.016 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.744 -4.155 1.535 1.00 0.00 H new ATOM 0 HG SER A 31 -12.549 -4.871 -1.124 1.00 0.00 H new ATOM 269 N LEU A 32 -9.138 -5.933 -1.582 1.00 0.00 N ATOM 270 CA LEU A 32 -8.909 -6.909 -2.688 1.00 0.00 C ATOM 271 C LEU A 32 -8.071 -8.126 -2.265 1.00 0.00 C ATOM 272 O LEU A 32 -7.190 -8.044 -1.431 1.00 0.00 O ATOM 273 CB LEU A 32 -8.186 -6.169 -3.823 1.00 0.00 C ATOM 274 CG LEU A 32 -7.935 -7.135 -4.991 1.00 0.00 C ATOM 275 CD1 LEU A 32 -9.278 -7.555 -5.598 1.00 0.00 C ATOM 276 CD2 LEU A 32 -7.118 -6.404 -6.061 1.00 0.00 C ATOM 0 H LEU A 32 -8.302 -5.647 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.879 -7.296 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.786 -5.324 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.240 -5.765 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.399 -8.016 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.104 -8.241 -6.427 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.882 -8.051 -4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.805 -6.673 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.931 -7.076 -6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.673 -5.534 -6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.168 -6.081 -5.636 1.00 0.00 H new ATOM 288 N LEU A 33 -8.387 -9.245 -2.861 1.00 0.00 N ATOM 289 CA LEU A 33 -7.631 -10.493 -2.561 1.00 0.00 C ATOM 290 C LEU A 33 -6.724 -10.826 -3.751 1.00 0.00 C ATOM 291 O LEU A 33 -7.125 -10.738 -4.894 1.00 0.00 O ATOM 292 CB LEU A 33 -8.630 -11.635 -2.329 1.00 0.00 C ATOM 293 CG LEU A 33 -9.446 -11.870 -3.609 1.00 0.00 C ATOM 294 CD1 LEU A 33 -8.874 -13.085 -4.351 1.00 0.00 C ATOM 295 CD2 LEU A 33 -10.896 -12.172 -3.224 1.00 0.00 C ATOM 0 H LEU A 33 -9.138 -9.347 -3.544 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.019 -10.360 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.099 -12.546 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.295 -11.388 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.400 -10.986 -4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.448 -13.259 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.832 -12.896 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.935 -13.965 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.484 -12.341 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.928 -13.064 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.310 -11.327 -2.673 1.00 0.00 H new ATOM 307 N VAL A 34 -5.511 -11.184 -3.436 1.00 0.00 N ATOM 308 CA VAL A 34 -4.530 -11.533 -4.508 1.00 0.00 C ATOM 309 C VAL A 34 -4.022 -12.961 -4.294 1.00 0.00 C ATOM 310 O VAL A 34 -3.793 -13.375 -3.177 1.00 0.00 O ATOM 311 CB VAL A 34 -3.347 -10.551 -4.434 1.00 0.00 C ATOM 312 CG1 VAL A 34 -3.114 -9.939 -5.823 1.00 0.00 C ATOM 313 CG2 VAL A 34 -3.680 -9.424 -3.448 1.00 0.00 C ATOM 0 H VAL A 34 -5.154 -11.251 -2.483 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.009 -11.467 -5.485 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.454 -11.081 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.277 -9.242 -5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.888 -10.731 -6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.011 -9.408 -6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.843 -8.728 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.571 -8.895 -3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.863 -9.847 -2.460 1.00 0.00 H new ATOM 323 N HIS A 35 -3.825 -13.693 -5.357 1.00 0.00 N ATOM 324 CA HIS A 35 -3.341 -15.092 -5.170 1.00 0.00 C ATOM 325 C HIS A 35 -1.832 -15.091 -4.916 1.00 0.00 C ATOM 326 O HIS A 35 -1.192 -14.067 -5.018 1.00 0.00 O ATOM 327 CB HIS A 35 -3.678 -15.904 -6.429 1.00 0.00 C ATOM 328 CG HIS A 35 -4.827 -16.860 -6.095 1.00 0.00 C ATOM 329 ND1 HIS A 35 -5.819 -16.769 -5.132 1.00 0.00 N flip ATOM 330 CD2 HIS A 35 -5.061 -17.985 -6.686 1.00 0.00 C flip ATOM 331 CE1 HIS A 35 -6.599 -17.831 -5.177 1.00 0.00 C flip ATOM 332 NE2 HIS A 35 -6.095 -18.552 -6.150 1.00 0.00 N flip ATOM 0 H HIS A 35 -3.973 -13.395 -6.321 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.830 -15.545 -4.308 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.963 -15.239 -7.244 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.805 -16.463 -6.764 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.482 -18.391 -7.503 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.454 -18.055 -4.557 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.472 -19.451 -6.449 1.00 0.00 H new ATOM 340 N PRO A 36 -1.309 -16.225 -4.532 1.00 0.00 N ATOM 341 CA PRO A 36 0.071 -16.309 -4.002 1.00 0.00 C ATOM 342 C PRO A 36 1.118 -16.194 -5.117 1.00 0.00 C ATOM 343 O PRO A 36 1.623 -17.190 -5.598 1.00 0.00 O ATOM 344 CB PRO A 36 0.146 -17.685 -3.325 1.00 0.00 C ATOM 345 CG PRO A 36 -1.159 -18.457 -3.695 1.00 0.00 C ATOM 346 CD PRO A 36 -2.055 -17.505 -4.512 1.00 0.00 C ATOM 0 HA PRO A 36 0.285 -15.492 -3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.025 -18.232 -3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.235 -17.577 -2.244 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.923 -19.350 -4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.675 -18.788 -2.794 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.222 -17.884 -5.520 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.035 -17.387 -4.050 1.00 0.00 H new ATOM 354 N GLY A 37 1.423 -14.985 -5.511 1.00 0.00 N ATOM 355 CA GLY A 37 2.439 -14.802 -6.588 1.00 0.00 C ATOM 356 C GLY A 37 1.862 -13.942 -7.711 1.00 0.00 C ATOM 357 O GLY A 37 2.041 -14.239 -8.876 1.00 0.00 O ATOM 0 H GLY A 37 1.018 -14.126 -5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.333 -14.330 -6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.743 -15.772 -6.981 1.00 0.00 H new ATOM 361 N ASP A 38 1.179 -12.892 -7.340 1.00 0.00 N ATOM 362 CA ASP A 38 0.575 -12.006 -8.371 1.00 0.00 C ATOM 363 C ASP A 38 0.726 -10.519 -8.026 1.00 0.00 C ATOM 364 O ASP A 38 1.296 -10.139 -7.021 1.00 0.00 O ATOM 365 CB ASP A 38 -0.912 -12.347 -8.482 1.00 0.00 C ATOM 366 CG ASP A 38 -1.055 -13.830 -8.838 1.00 0.00 C ATOM 367 OD1 ASP A 38 -0.717 -14.149 -9.966 1.00 0.00 O ATOM 368 OD2 ASP A 38 -1.486 -14.556 -7.957 1.00 0.00 O ATOM 0 H ASP A 38 1.015 -12.612 -6.373 1.00 0.00 H new ATOM 0 HA ASP A 38 1.096 -12.174 -9.313 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.419 -12.135 -7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.385 -11.729 -9.245 1.00 0.00 H new ATOM 373 N LEU A 39 0.176 -9.725 -8.902 1.00 0.00 N ATOM 374 CA LEU A 39 0.222 -8.245 -8.752 1.00 0.00 C ATOM 375 C LEU A 39 -1.002 -7.676 -8.030 1.00 0.00 C ATOM 376 O LEU A 39 -2.136 -7.871 -8.423 1.00 0.00 O ATOM 377 CB LEU A 39 0.297 -7.606 -10.149 1.00 0.00 C ATOM 378 CG LEU A 39 0.944 -8.582 -11.143 1.00 0.00 C ATOM 379 CD1 LEU A 39 0.921 -7.945 -12.536 1.00 0.00 C ATOM 380 CD2 LEU A 39 2.400 -8.821 -10.741 1.00 0.00 C ATOM 0 H LEU A 39 -0.315 -10.049 -9.735 1.00 0.00 H new ATOM 0 HA LEU A 39 1.100 -8.012 -8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.703 -7.339 -10.489 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.876 -6.683 -10.105 1.00 0.00 H new ATOM 0 HG LEU A 39 0.400 -9.526 -11.144 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.377 -8.626 -13.255 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.110 -7.746 -12.828 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.480 -7.009 -12.517 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.863 -9.513 -11.444 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.941 -7.875 -10.754 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.435 -9.245 -9.738 1.00 0.00 H new ATOM 392 N LEU A 40 -0.695 -6.981 -6.973 1.00 0.00 N ATOM 393 CA LEU A 40 -1.735 -6.307 -6.142 1.00 0.00 C ATOM 394 C LEU A 40 -1.345 -4.830 -6.018 1.00 0.00 C ATOM 395 O LEU A 40 -0.183 -4.516 -5.859 1.00 0.00 O ATOM 396 CB LEU A 40 -1.758 -6.976 -4.759 1.00 0.00 C ATOM 397 CG LEU A 40 -1.907 -5.922 -3.648 1.00 0.00 C ATOM 398 CD1 LEU A 40 -3.359 -5.435 -3.605 1.00 0.00 C ATOM 399 CD2 LEU A 40 -1.563 -6.574 -2.305 1.00 0.00 C ATOM 0 H LEU A 40 0.260 -6.847 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.725 -6.388 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.583 -7.686 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.839 -7.543 -4.608 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.242 -5.080 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.469 -4.688 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.623 -4.993 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.019 -6.278 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.664 -5.838 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.242 -7.406 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.537 -6.942 -2.331 1.00 0.00 H new ATOM 411 N GLN A 41 -2.305 -3.949 -6.086 1.00 0.00 N ATOM 412 CA GLN A 41 -1.942 -2.507 -5.980 1.00 0.00 C ATOM 413 C GLN A 41 -2.923 -1.663 -5.161 1.00 0.00 C ATOM 414 O GLN A 41 -4.100 -1.951 -5.067 1.00 0.00 O ATOM 415 CB GLN A 41 -1.858 -1.933 -7.389 1.00 0.00 C ATOM 416 CG GLN A 41 -3.157 -2.253 -8.133 1.00 0.00 C ATOM 417 CD GLN A 41 -2.829 -2.391 -9.617 1.00 0.00 C ATOM 418 OE1 GLN A 41 -3.352 -3.243 -10.308 1.00 0.00 O ATOM 419 NE2 GLN A 41 -1.959 -1.575 -10.142 1.00 0.00 N ATOM 0 H GLN A 41 -3.297 -4.155 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.990 -2.462 -5.451 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.703 -0.855 -7.348 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.006 -2.358 -7.919 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.597 -3.175 -7.753 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.890 -1.462 -7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.518 -0.859 -9.565 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.719 -1.652 -11.130 1.00 0.00 H new ATOM 428 N LEU A 42 -2.368 -0.629 -4.591 1.00 0.00 N ATOM 429 CA LEU A 42 -3.156 0.327 -3.766 1.00 0.00 C ATOM 430 C LEU A 42 -2.777 1.728 -4.238 1.00 0.00 C ATOM 431 O LEU A 42 -1.638 2.120 -4.085 1.00 0.00 O ATOM 432 CB LEU A 42 -2.764 0.169 -2.282 1.00 0.00 C ATOM 433 CG LEU A 42 -1.444 -0.615 -2.160 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.747 -0.232 -0.846 1.00 0.00 C ATOM 435 CD2 LEU A 42 -1.757 -2.112 -2.116 1.00 0.00 C ATOM 0 H LEU A 42 -1.376 -0.402 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.226 0.147 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.656 1.151 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.556 -0.351 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.802 -0.383 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.188 -0.785 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.538 0.838 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.396 -0.477 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.828 -2.676 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.392 -2.326 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.274 -2.403 -3.031 1.00 0.00 H new ATOM 447 N ARG A 43 -3.704 2.434 -4.829 1.00 0.00 N ATOM 448 CA ARG A 43 -3.366 3.807 -5.308 1.00 0.00 C ATOM 449 C ARG A 43 -4.019 4.870 -4.437 1.00 0.00 C ATOM 450 O ARG A 43 -5.223 4.923 -4.266 1.00 0.00 O ATOM 451 CB ARG A 43 -3.820 3.973 -6.763 1.00 0.00 C ATOM 452 CG ARG A 43 -3.306 5.332 -7.269 1.00 0.00 C ATOM 453 CD ARG A 43 -3.253 5.326 -8.800 1.00 0.00 C ATOM 454 NE ARG A 43 -2.960 6.715 -9.254 1.00 0.00 N ATOM 455 CZ ARG A 43 -1.752 7.051 -9.616 1.00 0.00 C ATOM 456 NH1 ARG A 43 -0.762 6.209 -9.503 1.00 0.00 N ATOM 457 NH2 ARG A 43 -1.550 8.259 -10.061 1.00 0.00 N ATOM 0 H ARG A 43 -4.662 2.128 -4.999 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.285 3.935 -5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.428 3.164 -7.379 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.907 3.927 -6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.960 6.132 -6.921 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.315 5.531 -6.862 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.483 4.639 -9.152 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.201 4.982 -9.213 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.708 7.407 -9.282 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.927 5.275 -9.128 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.177 6.485 -9.790 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.327 8.917 -10.120 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.615 8.546 -10.350 1.00 0.00 H new ATOM 471 N CYS A 44 -3.165 5.718 -3.939 1.00 0.00 N ATOM 472 CA CYS A 44 -3.622 6.817 -3.045 1.00 0.00 C ATOM 473 C CYS A 44 -4.014 8.063 -3.844 1.00 0.00 C ATOM 474 O CYS A 44 -4.410 7.987 -4.990 1.00 0.00 O ATOM 475 CB CYS A 44 -2.461 7.167 -2.120 1.00 0.00 C ATOM 476 SG CYS A 44 -2.822 7.523 -0.386 1.00 0.00 S ATOM 0 H CYS A 44 -2.160 5.697 -4.115 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.499 6.488 -2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.752 6.339 -2.149 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.953 8.036 -2.539 1.00 0.00 H new ATOM 481 N ARG A 45 -3.877 9.185 -3.190 1.00 0.00 N ATOM 482 CA ARG A 45 -4.216 10.489 -3.834 1.00 0.00 C ATOM 483 C ARG A 45 -2.999 11.419 -3.767 1.00 0.00 C ATOM 484 O ARG A 45 -1.997 11.075 -3.173 1.00 0.00 O ATOM 485 CB ARG A 45 -5.408 11.115 -3.094 1.00 0.00 C ATOM 486 CG ARG A 45 -5.282 10.880 -1.582 1.00 0.00 C ATOM 487 CD ARG A 45 -6.155 9.683 -1.190 1.00 0.00 C ATOM 488 NE ARG A 45 -7.560 9.978 -1.600 1.00 0.00 N ATOM 489 CZ ARG A 45 -8.563 9.467 -0.938 1.00 0.00 C ATOM 490 NH1 ARG A 45 -9.330 8.605 -1.547 1.00 0.00 N ATOM 491 NH2 ARG A 45 -8.784 9.833 0.296 1.00 0.00 N ATOM 0 H ARG A 45 -3.542 9.255 -2.229 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.484 10.335 -4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.451 12.184 -3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.339 10.682 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.242 10.691 -1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.595 11.770 -1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.799 8.776 -1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.101 9.508 -0.115 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.738 10.582 -2.402 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.139 8.347 -2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.121 8.189 -1.055 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.173 10.518 0.742 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.567 9.434 0.814 1.00 0.00 H new ATOM 505 N LEU A 46 -3.096 12.577 -4.369 1.00 0.00 N ATOM 506 CA LEU A 46 -1.913 13.493 -4.336 1.00 0.00 C ATOM 507 C LEU A 46 -2.283 14.951 -4.638 1.00 0.00 C ATOM 508 O LEU A 46 -3.147 15.224 -5.445 1.00 0.00 O ATOM 509 CB LEU A 46 -0.896 13.005 -5.377 1.00 0.00 C ATOM 510 CG LEU A 46 -1.620 12.763 -6.711 1.00 0.00 C ATOM 511 CD1 LEU A 46 -0.844 13.459 -7.833 1.00 0.00 C ATOM 512 CD2 LEU A 46 -1.649 11.255 -6.993 1.00 0.00 C ATOM 0 H LEU A 46 -3.916 12.922 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.498 13.470 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.106 13.745 -5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.420 12.086 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.635 13.156 -6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.351 13.292 -8.784 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.794 14.529 -7.631 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.166 13.052 -7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.161 11.071 -7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.629 10.876 -7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.178 10.745 -6.188 1.00 0.00 H new ATOM 524 N ARG A 47 -1.648 15.871 -3.964 1.00 0.00 N ATOM 525 CA ARG A 47 -1.957 17.304 -4.253 1.00 0.00 C ATOM 526 C ARG A 47 -0.838 18.222 -3.760 1.00 0.00 C ATOM 527 O ARG A 47 0.125 17.765 -3.176 1.00 0.00 O ATOM 528 CB ARG A 47 -3.281 17.687 -3.576 1.00 0.00 C ATOM 529 CG ARG A 47 -3.357 17.099 -2.167 1.00 0.00 C ATOM 530 CD ARG A 47 -4.410 15.984 -2.160 1.00 0.00 C ATOM 531 NE ARG A 47 -5.693 16.552 -2.670 1.00 0.00 N ATOM 532 CZ ARG A 47 -6.776 16.495 -1.944 1.00 0.00 C ATOM 533 NH1 ARG A 47 -6.881 15.582 -1.015 1.00 0.00 N ATOM 534 NH2 ARG A 47 -7.723 17.359 -2.183 1.00 0.00 N ATOM 0 H ARG A 47 -0.946 15.702 -3.244 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.043 17.427 -5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.370 18.772 -3.528 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.118 17.325 -4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.386 16.704 -1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.621 17.874 -1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.087 15.152 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.542 15.592 -1.152 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.723 16.987 -3.592 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.120 14.921 -0.862 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.724 15.531 -0.443 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.605 18.054 -2.920 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.582 17.340 -1.633 1.00 0.00 H new ATOM 548 N ASP A 48 -0.975 19.496 -4.024 1.00 0.00 N ATOM 549 CA ASP A 48 0.065 20.453 -3.550 1.00 0.00 C ATOM 550 C ASP A 48 -0.003 20.582 -2.025 1.00 0.00 C ATOM 551 O ASP A 48 0.387 21.584 -1.459 1.00 0.00 O ATOM 552 CB ASP A 48 -0.201 21.820 -4.193 1.00 0.00 C ATOM 553 CG ASP A 48 -0.167 21.696 -5.722 1.00 0.00 C ATOM 554 OD1 ASP A 48 0.175 20.620 -6.184 1.00 0.00 O ATOM 555 OD2 ASP A 48 -0.487 22.697 -6.342 1.00 0.00 O ATOM 0 H ASP A 48 -1.751 19.910 -4.540 1.00 0.00 H new ATOM 0 HA ASP A 48 1.055 20.092 -3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.171 22.199 -3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.548 22.539 -3.861 1.00 0.00 H new ATOM 560 N ASP A 49 -0.498 19.548 -1.398 1.00 0.00 N ATOM 561 CA ASP A 49 -0.606 19.544 0.084 1.00 0.00 C ATOM 562 C ASP A 49 0.273 18.402 0.586 1.00 0.00 C ATOM 563 O ASP A 49 1.334 18.633 1.129 1.00 0.00 O ATOM 564 CB ASP A 49 -2.065 19.299 0.476 1.00 0.00 C ATOM 565 CG ASP A 49 -2.937 20.402 -0.131 1.00 0.00 C ATOM 566 OD1 ASP A 49 -3.067 20.384 -1.345 1.00 0.00 O ATOM 567 OD2 ASP A 49 -3.422 21.199 0.654 1.00 0.00 O ATOM 0 H ASP A 49 -0.834 18.701 -1.856 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.287 20.493 0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.392 18.322 0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.167 19.293 1.561 1.00 0.00 H new ATOM 572 N VAL A 50 -0.166 17.194 0.344 1.00 0.00 N ATOM 573 CA VAL A 50 0.636 16.027 0.785 1.00 0.00 C ATOM 574 C VAL A 50 1.864 15.900 -0.116 1.00 0.00 C ATOM 575 O VAL A 50 1.820 16.166 -1.301 1.00 0.00 O ATOM 576 CB VAL A 50 -0.226 14.763 0.684 1.00 0.00 C ATOM 577 CG1 VAL A 50 -1.493 14.971 1.521 1.00 0.00 C ATOM 578 CG2 VAL A 50 -0.627 14.536 -0.778 1.00 0.00 C ATOM 0 H VAL A 50 -1.038 16.972 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 50 0.961 16.158 1.817 1.00 0.00 H new ATOM 0 HB VAL A 50 0.333 13.900 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.119 14.081 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.217 15.151 2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.045 15.829 1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.240 13.638 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.196 15.394 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.269 14.415 -1.386 1.00 0.00 H new ATOM 588 N GLN A 51 2.933 15.495 0.503 1.00 0.00 N ATOM 589 CA GLN A 51 4.223 15.331 -0.219 1.00 0.00 C ATOM 590 C GLN A 51 4.801 13.954 0.083 1.00 0.00 C ATOM 591 O GLN A 51 5.567 13.416 -0.692 1.00 0.00 O ATOM 592 CB GLN A 51 5.190 16.407 0.272 1.00 0.00 C ATOM 593 CG GLN A 51 4.521 17.765 0.079 1.00 0.00 C ATOM 594 CD GLN A 51 4.990 18.721 1.176 1.00 0.00 C ATOM 595 OE1 GLN A 51 4.082 19.295 1.916 1.00 0.00 O flip ATOM 596 NE2 GLN A 51 6.167 18.952 1.367 1.00 0.00 N flip ATOM 0 H GLN A 51 2.969 15.266 1.496 1.00 0.00 H new ATOM 0 HA GLN A 51 4.068 15.426 -1.294 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.435 16.249 1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.126 16.361 -0.284 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.770 18.169 -0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.437 17.657 0.114 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.876 18.502 0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.447 19.596 2.107 1.00 0.00 H new ATOM 605 N SER A 52 4.419 13.412 1.209 1.00 0.00 N ATOM 606 CA SER A 52 4.946 12.069 1.568 1.00 0.00 C ATOM 607 C SER A 52 3.757 11.131 1.693 1.00 0.00 C ATOM 608 O SER A 52 2.783 11.464 2.336 1.00 0.00 O ATOM 609 CB SER A 52 5.678 12.165 2.909 1.00 0.00 C ATOM 610 OG SER A 52 6.154 10.846 3.129 1.00 0.00 O ATOM 0 H SER A 52 3.778 13.833 1.882 1.00 0.00 H new ATOM 0 HA SER A 52 5.640 11.701 0.812 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.496 12.884 2.868 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.010 12.488 3.707 1.00 0.00 H new ATOM 0 HG SER A 52 6.644 10.812 3.977 1.00 0.00 H new ATOM 616 N ILE A 53 3.834 10.017 1.021 1.00 0.00 N ATOM 617 CA ILE A 53 2.719 9.040 1.101 1.00 0.00 C ATOM 618 C ILE A 53 3.246 7.798 1.804 1.00 0.00 C ATOM 619 O ILE A 53 4.082 7.084 1.285 1.00 0.00 O ATOM 620 CB ILE A 53 2.267 8.674 -0.309 1.00 0.00 C ATOM 621 CG1 ILE A 53 1.438 9.822 -0.913 1.00 0.00 C ATOM 622 CG2 ILE A 53 1.376 7.428 -0.242 1.00 0.00 C ATOM 623 CD1 ILE A 53 2.294 11.087 -1.042 1.00 0.00 C ATOM 0 H ILE A 53 4.615 9.744 0.425 1.00 0.00 H new ATOM 0 HA ILE A 53 1.874 9.460 1.646 1.00 0.00 H new ATOM 0 HB ILE A 53 3.147 8.489 -0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.059 9.530 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.571 10.024 -0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.049 7.160 -1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.940 6.600 0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.505 7.636 0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.694 11.890 -1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.651 11.387 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.146 10.885 -1.691 1.00 0.00 H new ATOM 635 N ASN A 54 2.737 7.576 2.979 1.00 0.00 N ATOM 636 CA ASN A 54 3.182 6.389 3.750 1.00 0.00 C ATOM 637 C ASN A 54 2.120 5.315 3.597 1.00 0.00 C ATOM 638 O ASN A 54 0.950 5.591 3.759 1.00 0.00 O ATOM 639 CB ASN A 54 3.266 6.737 5.229 1.00 0.00 C ATOM 640 CG ASN A 54 3.167 8.242 5.428 1.00 0.00 C ATOM 641 OD1 ASN A 54 2.246 8.666 6.243 1.00 0.00 O flip ATOM 642 ND2 ASN A 54 3.904 9.025 4.860 1.00 0.00 N flip ATOM 0 H ASN A 54 2.037 8.160 3.436 1.00 0.00 H new ATOM 0 HA ASN A 54 4.155 6.058 3.388 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.463 6.239 5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.206 6.370 5.642 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.622 8.679 4.223 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.804 10.027 5.020 1.00 0.00 H new ATOM 649 N TRP A 55 2.529 4.120 3.292 1.00 0.00 N ATOM 650 CA TRP A 55 1.514 3.048 3.159 1.00 0.00 C ATOM 651 C TRP A 55 1.605 2.223 4.434 1.00 0.00 C ATOM 652 O TRP A 55 2.508 1.427 4.588 1.00 0.00 O ATOM 653 CB TRP A 55 1.863 2.228 1.932 1.00 0.00 C ATOM 654 CG TRP A 55 1.644 3.124 0.711 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.582 3.898 0.097 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.481 3.239 0.049 1.00 0.00 C ATOM 657 NE1 TRP A 55 1.912 4.423 -0.912 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.634 4.091 -1.023 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.734 2.636 0.295 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.434 4.340 -1.858 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.802 2.884 -0.543 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.653 3.735 -1.622 1.00 0.00 C ATOM 0 H TRP A 55 3.498 3.843 3.132 1.00 0.00 H new ATOM 0 HA TRP A 55 0.498 3.423 3.035 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.897 1.887 1.979 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.237 1.338 1.873 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.617 4.045 0.368 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.358 5.056 -1.576 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.849 1.973 1.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.318 5.009 -2.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.755 2.413 -0.356 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.488 3.926 -2.279 1.00 0.00 H new ATOM 673 N LEU A 56 0.642 2.372 5.303 1.00 0.00 N ATOM 674 CA LEU A 56 0.735 1.620 6.577 1.00 0.00 C ATOM 675 C LEU A 56 0.307 0.189 6.290 1.00 0.00 C ATOM 676 O LEU A 56 -0.861 -0.084 6.101 1.00 0.00 O ATOM 677 CB LEU A 56 -0.227 2.197 7.631 1.00 0.00 C ATOM 678 CG LEU A 56 -0.440 3.704 7.459 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.395 4.155 8.570 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.883 4.453 7.614 1.00 0.00 C ATOM 0 H LEU A 56 -0.180 2.964 5.189 1.00 0.00 H new ATOM 0 HA LEU A 56 1.754 1.682 6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.187 1.686 7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.168 1.999 8.627 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.843 3.915 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.574 5.227 8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.340 3.621 8.476 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.951 3.939 9.542 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.713 5.522 7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.294 4.265 8.606 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.588 4.107 6.858 1.00 0.00 H new ATOM 692 N ARG A 57 1.270 -0.689 6.292 1.00 0.00 N ATOM 693 CA ARG A 57 0.960 -2.112 5.996 1.00 0.00 C ATOM 694 C ARG A 57 0.376 -2.759 7.241 1.00 0.00 C ATOM 695 O ARG A 57 0.716 -2.390 8.344 1.00 0.00 O ATOM 696 CB ARG A 57 2.260 -2.801 5.613 1.00 0.00 C ATOM 697 CG ARG A 57 1.959 -4.216 5.130 1.00 0.00 C ATOM 698 CD ARG A 57 2.277 -5.213 6.238 1.00 0.00 C ATOM 699 NE ARG A 57 1.621 -6.501 5.878 1.00 0.00 N ATOM 700 CZ ARG A 57 0.917 -7.132 6.777 1.00 0.00 C ATOM 701 NH1 ARG A 57 -0.372 -7.239 6.604 1.00 0.00 N ATOM 702 NH2 ARG A 57 1.520 -7.625 7.824 1.00 0.00 N ATOM 0 H ARG A 57 2.251 -0.484 6.484 1.00 0.00 H new ATOM 0 HA ARG A 57 0.239 -2.195 5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.766 -2.237 4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.934 -2.833 6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.911 -4.298 4.843 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.551 -4.442 4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.354 -5.345 6.338 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.910 -4.850 7.198 1.00 0.00 H new ATOM 0 HE ARG A 57 1.721 -6.886 4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.811 -6.833 5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.940 -7.728 7.295 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.528 -7.514 7.931 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.983 -8.121 8.535 1.00 0.00 H new ATOM 716 N ASP A 58 -0.553 -3.647 7.017 1.00 0.00 N ATOM 717 CA ASP A 58 -1.215 -4.353 8.150 1.00 0.00 C ATOM 718 C ASP A 58 -2.015 -3.324 8.945 1.00 0.00 C ATOM 719 O ASP A 58 -3.226 -3.280 8.849 1.00 0.00 O ATOM 720 CB ASP A 58 -0.150 -4.999 9.049 1.00 0.00 C ATOM 721 CG ASP A 58 -0.831 -6.003 9.986 1.00 0.00 C ATOM 722 OD1 ASP A 58 -1.603 -5.540 10.809 1.00 0.00 O ATOM 723 OD2 ASP A 58 -0.535 -7.176 9.823 1.00 0.00 O ATOM 0 H ASP A 58 -0.884 -3.916 6.090 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.876 -5.136 7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.602 -5.502 8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.368 -4.235 9.628 1.00 0.00 H new ATOM 728 N GLY A 59 -1.300 -2.542 9.712 1.00 0.00 N ATOM 729 CA GLY A 59 -1.937 -1.469 10.526 1.00 0.00 C ATOM 730 C GLY A 59 -0.893 -0.424 10.958 1.00 0.00 C ATOM 731 O GLY A 59 -1.151 0.381 11.831 1.00 0.00 O ATOM 0 H GLY A 59 -0.287 -2.604 9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.725 -0.986 9.948 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.409 -1.905 11.407 1.00 0.00 H new ATOM 735 N VAL A 60 0.260 -0.452 10.338 1.00 0.00 N ATOM 736 CA VAL A 60 1.332 0.523 10.705 1.00 0.00 C ATOM 737 C VAL A 60 2.134 0.952 9.466 1.00 0.00 C ATOM 738 O VAL A 60 2.281 0.200 8.523 1.00 0.00 O ATOM 739 CB VAL A 60 2.276 -0.144 11.715 1.00 0.00 C ATOM 740 CG1 VAL A 60 3.353 0.862 12.136 1.00 0.00 C ATOM 741 CG2 VAL A 60 1.477 -0.553 12.956 1.00 0.00 C ATOM 0 H VAL A 60 0.505 -1.106 9.595 1.00 0.00 H new ATOM 0 HA VAL A 60 0.871 1.411 11.138 1.00 0.00 H new ATOM 0 HB VAL A 60 2.738 -1.021 11.261 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.027 0.394 12.854 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.919 1.178 11.259 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.880 1.730 12.595 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.143 -1.027 13.677 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.026 0.331 13.406 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.693 -1.254 12.669 1.00 0.00 H new ATOM 751 N GLN A 61 2.638 2.155 9.521 1.00 0.00 N ATOM 752 CA GLN A 61 3.440 2.720 8.392 1.00 0.00 C ATOM 753 C GLN A 61 4.328 1.698 7.683 1.00 0.00 C ATOM 754 O GLN A 61 5.020 0.919 8.310 1.00 0.00 O ATOM 755 CB GLN A 61 4.315 3.846 8.955 1.00 0.00 C ATOM 756 CG GLN A 61 5.115 4.490 7.817 1.00 0.00 C ATOM 757 CD GLN A 61 6.436 3.735 7.649 1.00 0.00 C ATOM 758 OE1 GLN A 61 6.676 3.126 6.521 1.00 0.00 O flip ATOM 759 NE2 GLN A 61 7.259 3.692 8.542 1.00 0.00 N flip ATOM 0 H GLN A 61 2.527 2.784 10.316 1.00 0.00 H new ATOM 0 HA GLN A 61 2.736 3.077 7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 61 3.692 4.595 9.445 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.993 3.451 9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.543 4.459 6.890 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.307 5.540 8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.077 4.166 9.426 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.132 3.182 8.407 1.00 0.00 H new ATOM 768 N LEU A 62 4.278 1.733 6.377 1.00 0.00 N ATOM 769 CA LEU A 62 5.126 0.796 5.587 1.00 0.00 C ATOM 770 C LEU A 62 5.398 1.281 4.159 1.00 0.00 C ATOM 771 O LEU A 62 4.611 1.961 3.526 1.00 0.00 O ATOM 772 CB LEU A 62 4.461 -0.575 5.489 1.00 0.00 C ATOM 773 CG LEU A 62 5.586 -1.595 5.202 1.00 0.00 C ATOM 774 CD1 LEU A 62 6.293 -1.936 6.517 1.00 0.00 C ATOM 775 CD2 LEU A 62 5.010 -2.880 4.606 1.00 0.00 C ATOM 0 H LEU A 62 3.693 2.363 5.829 1.00 0.00 H new ATOM 0 HA LEU A 62 6.074 0.742 6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.943 -0.821 6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.715 -0.587 4.694 1.00 0.00 H new ATOM 0 HG LEU A 62 6.285 -1.157 4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.089 -2.655 6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.719 -1.029 6.947 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.575 -2.366 7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.818 -3.585 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.304 -3.322 5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.497 -2.650 3.672 1.00 0.00 H new ATOM 787 N VAL A 63 6.609 0.992 3.776 1.00 0.00 N ATOM 788 CA VAL A 63 7.116 1.310 2.412 1.00 0.00 C ATOM 789 C VAL A 63 8.376 0.462 2.176 1.00 0.00 C ATOM 790 O VAL A 63 9.466 0.870 2.526 1.00 0.00 O ATOM 791 CB VAL A 63 7.374 2.824 2.336 1.00 0.00 C ATOM 792 CG1 VAL A 63 8.180 3.279 3.558 1.00 0.00 C ATOM 793 CG2 VAL A 63 8.158 3.171 1.069 1.00 0.00 C ATOM 0 H VAL A 63 7.294 0.531 4.375 1.00 0.00 H new ATOM 0 HA VAL A 63 6.402 1.068 1.625 1.00 0.00 H new ATOM 0 HB VAL A 63 6.411 3.334 2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.359 4.353 3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.621 3.055 4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.134 2.753 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.332 4.246 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.115 2.649 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.587 2.865 0.192 1.00 0.00 H new ATOM 843 N ARG A 67 9.916 -7.029 -3.980 1.00 0.00 N ATOM 844 CA ARG A 67 8.536 -7.518 -4.279 1.00 0.00 C ATOM 845 C ARG A 67 7.542 -6.358 -4.340 1.00 0.00 C ATOM 846 O ARG A 67 6.672 -6.336 -5.191 1.00 0.00 O ATOM 847 CB ARG A 67 8.086 -8.508 -3.197 1.00 0.00 C ATOM 848 CG ARG A 67 9.169 -9.574 -3.018 1.00 0.00 C ATOM 849 CD ARG A 67 8.936 -10.282 -1.683 1.00 0.00 C ATOM 850 NE ARG A 67 8.771 -11.736 -1.957 1.00 0.00 N ATOM 851 CZ ARG A 67 9.573 -12.595 -1.388 1.00 0.00 C ATOM 852 NH1 ARG A 67 10.807 -12.249 -1.138 1.00 0.00 N ATOM 853 NH2 ARG A 67 9.112 -13.778 -1.088 1.00 0.00 N ATOM 0 HA ARG A 67 8.558 -8.012 -5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.913 -7.985 -2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.142 -8.974 -3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.134 -10.291 -3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.158 -9.116 -3.037 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.777 -10.114 -1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.049 -9.884 -1.190 1.00 0.00 H new ATOM 0 HE ARG A 67 8.036 -12.059 -2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.135 -11.316 -1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.442 -12.912 -0.694 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.143 -14.016 -1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.721 -14.465 -0.643 1.00 0.00 H new ATOM 867 N THR A 68 7.687 -5.432 -3.425 1.00 0.00 N ATOM 868 CA THR A 68 6.761 -4.271 -3.407 1.00 0.00 C ATOM 869 C THR A 68 7.472 -2.985 -3.823 1.00 0.00 C ATOM 870 O THR A 68 8.426 -2.553 -3.209 1.00 0.00 O ATOM 871 CB THR A 68 6.200 -4.114 -1.984 1.00 0.00 C ATOM 872 OG1 THR A 68 5.308 -3.012 -2.076 1.00 0.00 O ATOM 873 CG2 THR A 68 7.261 -3.642 -1.001 1.00 0.00 C ATOM 0 H THR A 68 8.402 -5.434 -2.698 1.00 0.00 H new ATOM 0 HA THR A 68 5.956 -4.452 -4.119 1.00 0.00 H new ATOM 0 HB THR A 68 5.781 -5.064 -1.652 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.902 -2.846 -1.200 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.820 -3.545 -0.009 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.074 -4.367 -0.968 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.650 -2.675 -1.321 1.00 0.00 H new ATOM 881 N ARG A 69 6.967 -2.396 -4.869 1.00 0.00 N ATOM 882 CA ARG A 69 7.549 -1.123 -5.358 1.00 0.00 C ATOM 883 C ARG A 69 6.606 -0.079 -4.778 1.00 0.00 C ATOM 884 O ARG A 69 5.514 0.127 -5.269 1.00 0.00 O ATOM 885 CB ARG A 69 7.506 -1.099 -6.887 1.00 0.00 C ATOM 886 CG ARG A 69 8.806 -0.473 -7.409 1.00 0.00 C ATOM 887 CD ARG A 69 8.607 -0.087 -8.878 1.00 0.00 C ATOM 888 NE ARG A 69 8.022 -1.257 -9.594 1.00 0.00 N ATOM 889 CZ ARG A 69 6.729 -1.312 -9.766 1.00 0.00 C ATOM 890 NH1 ARG A 69 6.105 -0.269 -10.240 1.00 0.00 N ATOM 891 NH2 ARG A 69 6.092 -2.402 -9.441 1.00 0.00 N ATOM 0 H ARG A 69 6.173 -2.745 -5.406 1.00 0.00 H new ATOM 0 HA ARG A 69 8.588 -0.966 -5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.391 -2.110 -7.277 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.646 -0.525 -7.231 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.066 0.406 -6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.631 -1.178 -7.312 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.946 0.776 -8.958 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.558 0.197 -9.328 1.00 0.00 H new ATOM 0 HE ARG A 69 8.623 -2.003 -9.944 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.627 0.576 -10.471 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.095 -0.299 -10.379 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.604 -3.197 -9.058 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.082 -2.460 -9.570 1.00 0.00 H new ATOM 905 N ILE A 70 7.012 0.483 -3.677 1.00 0.00 N ATOM 906 CA ILE A 70 6.137 1.492 -3.028 1.00 0.00 C ATOM 907 C ILE A 70 6.450 2.896 -3.525 1.00 0.00 C ATOM 908 O ILE A 70 7.481 3.455 -3.212 1.00 0.00 O ATOM 909 CB ILE A 70 6.357 1.446 -1.516 1.00 0.00 C ATOM 910 CG1 ILE A 70 7.812 1.049 -1.168 1.00 0.00 C ATOM 911 CG2 ILE A 70 5.471 0.357 -0.907 1.00 0.00 C ATOM 912 CD1 ILE A 70 8.837 1.998 -1.796 1.00 0.00 C ATOM 0 H ILE A 70 7.896 0.292 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 70 5.102 1.257 -3.277 1.00 0.00 H new ATOM 0 HB ILE A 70 6.127 2.439 -1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.937 1.047 -0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.002 0.032 -1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.626 0.322 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.425 0.580 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 70 5.730 -0.608 -1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.843 1.679 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.732 1.981 -2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.666 3.011 -1.431 1.00 0.00 H new ATOM 924 N THR A 71 5.564 3.470 -4.287 1.00 0.00 N ATOM 925 CA THR A 71 5.880 4.840 -4.745 1.00 0.00 C ATOM 926 C THR A 71 5.031 5.839 -3.951 1.00 0.00 C ATOM 927 O THR A 71 3.916 5.548 -3.560 1.00 0.00 O ATOM 928 CB THR A 71 5.587 4.978 -6.234 1.00 0.00 C ATOM 929 OG1 THR A 71 4.194 5.227 -6.253 1.00 0.00 O ATOM 930 CG2 THR A 71 5.749 3.638 -6.959 1.00 0.00 C ATOM 0 H THR A 71 4.678 3.072 -4.598 1.00 0.00 H new ATOM 0 HA THR A 71 6.938 5.043 -4.580 1.00 0.00 H new ATOM 0 HB THR A 71 6.235 5.723 -6.697 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.714 4.424 -5.961 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.533 3.770 -8.019 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.772 3.280 -6.839 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.058 2.909 -6.536 1.00 0.00 H new ATOM 938 N GLY A 72 5.606 6.986 -3.713 1.00 0.00 N ATOM 939 CA GLY A 72 4.903 8.059 -2.952 1.00 0.00 C ATOM 940 C GLY A 72 3.496 8.370 -3.478 1.00 0.00 C ATOM 941 O GLY A 72 2.884 9.329 -3.053 1.00 0.00 O ATOM 0 H GLY A 72 6.548 7.229 -4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.832 7.763 -1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.503 8.968 -2.986 1.00 0.00 H new ATOM 945 N GLU A 73 3.014 7.596 -4.411 1.00 0.00 N ATOM 946 CA GLU A 73 1.642 7.844 -4.935 1.00 0.00 C ATOM 947 C GLU A 73 0.842 6.536 -4.953 1.00 0.00 C ATOM 948 O GLU A 73 -0.352 6.514 -4.724 1.00 0.00 O ATOM 949 CB GLU A 73 1.756 8.406 -6.359 1.00 0.00 C ATOM 950 CG GLU A 73 2.776 7.571 -7.147 1.00 0.00 C ATOM 951 CD GLU A 73 2.747 7.993 -8.619 1.00 0.00 C ATOM 952 OE1 GLU A 73 1.823 7.549 -9.279 1.00 0.00 O ATOM 953 OE2 GLU A 73 3.643 8.734 -8.990 1.00 0.00 O ATOM 0 H GLU A 73 3.507 6.808 -4.831 1.00 0.00 H new ATOM 0 HA GLU A 73 1.125 8.557 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.785 8.378 -6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.068 9.450 -6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.775 7.714 -6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.542 6.510 -7.056 1.00 0.00 H new ATOM 960 N GLU A 74 1.518 5.447 -5.197 1.00 0.00 N ATOM 961 CA GLU A 74 0.788 4.155 -5.254 1.00 0.00 C ATOM 962 C GLU A 74 1.744 3.051 -4.865 1.00 0.00 C ATOM 963 O GLU A 74 2.933 3.153 -5.070 1.00 0.00 O ATOM 964 CB GLU A 74 0.301 3.924 -6.689 1.00 0.00 C ATOM 965 CG GLU A 74 -0.125 2.449 -6.864 1.00 0.00 C ATOM 966 CD GLU A 74 -0.698 2.250 -8.274 1.00 0.00 C ATOM 967 OE1 GLU A 74 -0.859 3.269 -8.924 1.00 0.00 O ATOM 968 OE2 GLU A 74 -0.947 1.104 -8.616 1.00 0.00 O ATOM 0 H GLU A 74 2.524 5.397 -5.356 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.066 4.167 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.539 4.583 -6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.093 4.170 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.730 1.791 -6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.871 2.183 -6.115 1.00 0.00 H new ATOM 975 N VAL A 75 1.200 2.019 -4.306 1.00 0.00 N ATOM 976 CA VAL A 75 2.069 0.892 -3.906 1.00 0.00 C ATOM 977 C VAL A 75 1.729 -0.302 -4.769 1.00 0.00 C ATOM 978 O VAL A 75 0.582 -0.692 -4.848 1.00 0.00 O ATOM 979 CB VAL A 75 1.802 0.602 -2.450 1.00 0.00 C ATOM 980 CG1 VAL A 75 2.366 -0.774 -2.076 1.00 0.00 C ATOM 981 CG2 VAL A 75 2.510 1.687 -1.666 1.00 0.00 C ATOM 0 H VAL A 75 0.205 1.906 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 75 3.125 1.126 -4.038 1.00 0.00 H new ATOM 0 HB VAL A 75 0.733 0.590 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.168 -0.974 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.890 -1.541 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.442 -0.786 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.351 1.528 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.578 1.654 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.112 2.661 -1.951 1.00 0.00 H new ATOM 991 N GLU A 76 2.727 -0.796 -5.447 1.00 0.00 N ATOM 992 CA GLU A 76 2.476 -1.985 -6.311 1.00 0.00 C ATOM 993 C GLU A 76 3.311 -3.187 -5.864 1.00 0.00 C ATOM 994 O GLU A 76 4.523 -3.135 -5.850 1.00 0.00 O ATOM 995 CB GLU A 76 2.825 -1.622 -7.757 1.00 0.00 C ATOM 996 CG GLU A 76 1.714 -0.717 -8.310 1.00 0.00 C ATOM 997 CD GLU A 76 2.022 -0.344 -9.765 1.00 0.00 C ATOM 998 OE1 GLU A 76 3.197 -0.366 -10.094 1.00 0.00 O ATOM 999 OE2 GLU A 76 1.063 -0.045 -10.458 1.00 0.00 O ATOM 0 H GLU A 76 3.683 -0.440 -5.443 1.00 0.00 H new ATOM 0 HA GLU A 76 1.425 -2.263 -6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.787 -1.111 -7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.917 -2.523 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.753 -1.229 -8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.632 0.185 -7.704 1.00 0.00 H new ATOM 1006 N VAL A 77 2.639 -4.244 -5.497 1.00 0.00 N ATOM 1007 CA VAL A 77 3.355 -5.478 -5.063 1.00 0.00 C ATOM 1008 C VAL A 77 3.104 -6.470 -6.189 1.00 0.00 C ATOM 1009 O VAL A 77 1.969 -6.789 -6.466 1.00 0.00 O ATOM 1010 CB VAL A 77 2.757 -6.003 -3.734 1.00 0.00 C ATOM 1011 CG1 VAL A 77 3.707 -5.641 -2.595 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.410 -5.329 -3.470 1.00 0.00 C ATOM 0 H VAL A 77 1.621 -4.306 -5.479 1.00 0.00 H new ATOM 0 HA VAL A 77 4.417 -5.310 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 77 2.622 -7.083 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.299 -6.004 -1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.679 -6.102 -2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.822 -4.558 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.994 -5.702 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.550 -4.250 -3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.724 -5.554 -4.287 1.00 0.00 H new ATOM 1022 N ARG A 78 4.146 -6.945 -6.810 1.00 0.00 N ATOM 1023 CA ARG A 78 3.919 -7.879 -7.955 1.00 0.00 C ATOM 1024 C ARG A 78 4.218 -9.327 -7.558 1.00 0.00 C ATOM 1025 O ARG A 78 4.822 -10.082 -8.293 1.00 0.00 O ATOM 1026 CB ARG A 78 4.806 -7.429 -9.130 1.00 0.00 C ATOM 1027 CG ARG A 78 6.257 -7.272 -8.670 1.00 0.00 C ATOM 1028 CD ARG A 78 6.817 -8.664 -8.418 1.00 0.00 C ATOM 1029 NE ARG A 78 8.305 -8.583 -8.385 1.00 0.00 N ATOM 1030 CZ ARG A 78 8.956 -9.127 -7.393 1.00 0.00 C ATOM 1031 NH1 ARG A 78 8.493 -10.227 -6.862 1.00 0.00 N ATOM 1032 NH2 ARG A 78 10.047 -8.553 -6.965 1.00 0.00 N ATOM 0 H ARG A 78 5.119 -6.737 -6.586 1.00 0.00 H new ATOM 0 HA ARG A 78 2.871 -7.846 -8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.750 -8.159 -9.937 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.440 -6.483 -9.530 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.845 -6.755 -9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.307 -6.670 -7.763 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.439 -9.058 -7.474 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.493 -9.349 -9.202 1.00 0.00 H new ATOM 0 HE ARG A 78 8.811 -8.106 -9.132 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.636 -10.646 -7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.988 -10.666 -6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.378 -7.694 -7.405 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.569 -8.963 -6.191 1.00 0.00 H new ATOM 1046 N ASP A 79 3.688 -9.708 -6.432 1.00 0.00 N ATOM 1047 CA ASP A 79 3.960 -11.083 -5.933 1.00 0.00 C ATOM 1048 C ASP A 79 2.905 -11.511 -4.911 1.00 0.00 C ATOM 1049 O ASP A 79 2.564 -12.674 -4.822 1.00 0.00 O ATOM 1050 CB ASP A 79 5.356 -11.062 -5.292 1.00 0.00 C ATOM 1051 CG ASP A 79 5.744 -12.440 -4.745 1.00 0.00 C ATOM 1052 OD1 ASP A 79 5.214 -13.412 -5.258 1.00 0.00 O ATOM 1053 OD2 ASP A 79 6.578 -12.431 -3.855 1.00 0.00 O ATOM 0 H ASP A 79 3.085 -9.135 -5.841 1.00 0.00 H new ATOM 0 HA ASP A 79 3.920 -11.802 -6.752 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.092 -10.742 -6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.376 -10.330 -4.484 1.00 0.00 H new ATOM 1058 N SER A 80 2.391 -10.549 -4.192 1.00 0.00 N ATOM 1059 CA SER A 80 1.363 -10.850 -3.153 1.00 0.00 C ATOM 1060 C SER A 80 1.691 -12.123 -2.368 1.00 0.00 C ATOM 1061 O SER A 80 1.164 -13.185 -2.636 1.00 0.00 O ATOM 1062 CB SER A 80 0.011 -11.021 -3.833 1.00 0.00 C ATOM 1063 OG SER A 80 0.329 -11.868 -4.923 1.00 0.00 O ATOM 0 H SER A 80 2.640 -9.564 -4.280 1.00 0.00 H new ATOM 0 HA SER A 80 1.346 -10.019 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.725 -11.473 -3.168 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.401 -10.068 -4.165 1.00 0.00 H new ATOM 0 HG SER A 80 -0.344 -12.577 -4.993 1.00 0.00 H new ATOM 1069 N ILE A 81 2.571 -11.969 -1.420 1.00 0.00 N ATOM 1070 CA ILE A 81 2.964 -13.118 -0.554 1.00 0.00 C ATOM 1071 C ILE A 81 2.241 -12.866 0.768 1.00 0.00 C ATOM 1072 O ILE A 81 1.539 -11.884 0.874 1.00 0.00 O ATOM 1073 CB ILE A 81 4.488 -13.084 -0.357 1.00 0.00 C ATOM 1074 CG1 ILE A 81 4.977 -11.637 -0.461 1.00 0.00 C ATOM 1075 CG2 ILE A 81 5.146 -13.913 -1.464 1.00 0.00 C ATOM 1076 CD1 ILE A 81 6.356 -11.537 0.193 1.00 0.00 C ATOM 0 H ILE A 81 3.040 -11.089 -1.205 1.00 0.00 H new ATOM 0 HA ILE A 81 2.705 -14.090 -0.973 1.00 0.00 H new ATOM 0 HB ILE A 81 4.746 -13.490 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.031 -11.331 -1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.275 -10.965 0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.228 -13.897 -1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.789 -14.941 -1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.889 -13.491 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.717 -10.511 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.284 -11.829 1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.051 -12.200 -0.321 1.00 0.00 H new ATOM 1088 N PRO A 82 2.434 -13.700 1.754 1.00 0.00 N ATOM 1089 CA PRO A 82 2.075 -13.341 3.144 1.00 0.00 C ATOM 1090 C PRO A 82 2.179 -11.826 3.398 1.00 0.00 C ATOM 1091 O PRO A 82 1.424 -11.264 4.166 1.00 0.00 O ATOM 1092 CB PRO A 82 3.056 -14.157 3.992 1.00 0.00 C ATOM 1093 CG PRO A 82 3.579 -15.313 3.071 1.00 0.00 C ATOM 1094 CD PRO A 82 3.090 -15.021 1.632 1.00 0.00 C ATOM 0 HA PRO A 82 1.037 -13.569 3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.880 -13.534 4.340 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.564 -14.558 4.878 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.667 -15.365 3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.203 -16.277 3.415 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.918 -14.994 0.924 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.395 -15.784 1.281 1.00 0.00 H new ATOM 1102 N ALA A 83 3.090 -11.190 2.712 1.00 0.00 N ATOM 1103 CA ALA A 83 3.266 -9.718 2.893 1.00 0.00 C ATOM 1104 C ALA A 83 1.967 -8.918 2.697 1.00 0.00 C ATOM 1105 O ALA A 83 1.775 -7.911 3.345 1.00 0.00 O ATOM 1106 CB ALA A 83 4.303 -9.222 1.885 1.00 0.00 C ATOM 0 H ALA A 83 3.719 -11.623 2.036 1.00 0.00 H new ATOM 0 HA ALA A 83 3.588 -9.558 3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.442 -8.148 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.251 -9.732 2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.956 -9.432 0.873 1.00 0.00 H new ATOM 1112 N ASP A 84 1.107 -9.357 1.815 1.00 0.00 N ATOM 1113 CA ASP A 84 -0.153 -8.591 1.594 1.00 0.00 C ATOM 1114 C ASP A 84 -1.325 -9.185 2.394 1.00 0.00 C ATOM 1115 O ASP A 84 -2.447 -9.248 1.931 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.457 -8.570 0.081 1.00 0.00 C ATOM 1117 CG ASP A 84 -1.004 -9.919 -0.390 1.00 0.00 C ATOM 1118 OD1 ASP A 84 -0.189 -10.816 -0.521 1.00 0.00 O ATOM 1119 OD2 ASP A 84 -2.203 -9.967 -0.609 1.00 0.00 O ATOM 0 H ASP A 84 1.220 -10.197 1.248 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.022 -7.570 1.953 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.181 -7.785 -0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.451 -8.329 -0.472 1.00 0.00 H new ATOM 1124 N SER A 85 -1.006 -9.713 3.544 1.00 0.00 N ATOM 1125 CA SER A 85 -2.068 -10.264 4.435 1.00 0.00 C ATOM 1126 C SER A 85 -2.437 -9.245 5.530 1.00 0.00 C ATOM 1127 O SER A 85 -2.072 -9.431 6.674 1.00 0.00 O ATOM 1128 CB SER A 85 -1.539 -11.548 5.080 1.00 0.00 C ATOM 1129 OG SER A 85 -2.654 -12.044 5.806 1.00 0.00 O ATOM 0 H SER A 85 -0.055 -9.787 3.906 1.00 0.00 H new ATOM 0 HA SER A 85 -2.963 -10.474 3.850 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.200 -12.262 4.330 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.692 -11.347 5.735 1.00 0.00 H new ATOM 0 HG SER A 85 -2.406 -12.878 6.257 1.00 0.00 H new ATOM 1135 N GLY A 86 -3.141 -8.194 5.193 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.491 -7.201 6.254 1.00 0.00 C ATOM 1137 C GLY A 86 -4.051 -5.911 5.648 1.00 0.00 C ATOM 1138 O GLY A 86 -4.436 -5.870 4.495 1.00 0.00 O ATOM 0 H GLY A 86 -3.481 -7.983 4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.225 -7.635 6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.605 -6.972 6.847 1.00 0.00 H new ATOM 1142 N LEU A 87 -4.080 -4.859 6.421 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.634 -3.606 5.845 1.00 0.00 C ATOM 1144 C LEU A 87 -3.515 -2.659 5.425 1.00 0.00 C ATOM 1145 O LEU A 87 -2.584 -2.410 6.165 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.516 -2.920 6.895 1.00 0.00 C ATOM 1147 CG LEU A 87 -6.547 -3.927 7.424 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -7.375 -3.250 8.522 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -7.486 -4.332 6.283 1.00 0.00 C ATOM 0 H LEU A 87 -3.758 -4.812 7.388 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.223 -3.856 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.902 -2.545 7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.022 -2.060 6.457 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.039 -4.807 7.818 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.112 -3.954 8.908 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.717 -2.934 9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.885 -2.380 8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.221 -5.047 6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.999 -3.449 5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.907 -4.789 5.480 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.633 -2.170 4.223 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.635 -1.206 3.704 1.00 0.00 C ATOM 1163 C TYR A 88 -3.368 0.117 3.677 1.00 0.00 C ATOM 1164 O TYR A 88 -4.003 0.488 2.710 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.219 -1.578 2.295 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.080 -2.584 2.380 1.00 0.00 C ATOM 1167 CD1 TYR A 88 -1.355 -3.930 2.426 1.00 0.00 C ATOM 1168 CD2 TYR A 88 0.230 -2.161 2.393 1.00 0.00 C ATOM 1169 CE1 TYR A 88 -0.337 -4.854 2.467 1.00 0.00 C ATOM 1170 CE2 TYR A 88 1.257 -3.077 2.445 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.983 -4.434 2.474 1.00 0.00 C ATOM 1172 OH TYR A 88 2.022 -5.343 2.480 1.00 0.00 O ATOM 0 H TYR A 88 -4.386 -2.401 3.575 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.732 -1.184 4.314 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.062 -2.004 1.751 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.901 -0.691 1.747 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.382 -4.266 2.430 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.454 -1.105 2.362 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.567 -5.909 2.494 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.281 -2.735 2.463 1.00 0.00 H new ATOM 0 HH TYR A 88 1.695 -6.211 2.795 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.282 0.790 4.780 1.00 0.00 N ATOM 1183 CA ALA A 89 -3.984 2.095 4.857 1.00 0.00 C ATOM 1184 C ALA A 89 -2.979 3.116 4.348 1.00 0.00 C ATOM 1185 O ALA A 89 -1.851 3.152 4.787 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.345 2.385 6.312 1.00 0.00 C ATOM 0 H ALA A 89 -2.770 0.505 5.615 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.906 2.113 4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.861 3.343 6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.996 1.597 6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.436 2.423 6.912 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.393 3.943 3.440 1.00 0.00 N ATOM 1193 CA CYS A 90 -2.425 4.925 2.899 1.00 0.00 C ATOM 1194 C CYS A 90 -2.620 6.263 3.569 1.00 0.00 C ATOM 1195 O CYS A 90 -3.726 6.761 3.620 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.661 5.101 1.416 1.00 0.00 C ATOM 1197 SG CYS A 90 -1.565 6.272 0.579 1.00 0.00 S ATOM 0 H CYS A 90 -4.337 3.984 3.055 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.415 4.559 3.084 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -2.560 4.129 0.933 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.691 5.426 1.267 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.538 6.793 4.065 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.610 8.118 4.723 1.00 0.00 C ATOM 1204 C VAL A 91 -0.759 9.082 3.909 1.00 0.00 C ATOM 1205 O VAL A 91 0.443 8.945 3.814 1.00 0.00 O ATOM 1206 CB VAL A 91 -1.057 8.041 6.141 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -1.306 9.380 6.842 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -1.789 6.945 6.909 1.00 0.00 C ATOM 0 H VAL A 91 -0.612 6.365 4.042 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.647 8.451 4.775 1.00 0.00 H new ATOM 0 HB VAL A 91 0.010 7.822 6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.914 9.337 7.858 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.804 10.177 6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.377 9.580 6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.396 6.887 7.924 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.854 7.175 6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.641 5.989 6.408 1.00 0.00 H new ATOM 1218 N THR A 92 -1.433 10.024 3.323 1.00 0.00 N ATOM 1219 CA THR A 92 -0.740 11.047 2.499 1.00 0.00 C ATOM 1220 C THR A 92 -0.620 12.236 3.438 1.00 0.00 C ATOM 1221 O THR A 92 -1.603 12.622 4.038 1.00 0.00 O ATOM 1222 CB THR A 92 -1.618 11.395 1.297 1.00 0.00 C ATOM 1223 OG1 THR A 92 -2.821 11.879 1.874 1.00 0.00 O ATOM 1224 CG2 THR A 92 -2.045 10.121 0.565 1.00 0.00 C ATOM 0 H THR A 92 -2.446 10.131 3.380 1.00 0.00 H new ATOM 0 HA THR A 92 0.226 10.724 2.111 1.00 0.00 H new ATOM 0 HB THR A 92 -1.097 12.074 0.622 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.726 11.912 2.849 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.670 10.384 -0.289 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.160 9.588 0.217 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.609 9.483 1.245 1.00 0.00 H new ATOM 1232 N SER A 93 0.560 12.768 3.582 1.00 0.00 N ATOM 1233 CA SER A 93 0.694 13.901 4.532 1.00 0.00 C ATOM 1234 C SER A 93 1.662 14.991 4.098 1.00 0.00 C ATOM 1235 O SER A 93 2.471 14.828 3.202 1.00 0.00 O ATOM 1236 CB SER A 93 1.176 13.344 5.872 1.00 0.00 C ATOM 1237 OG SER A 93 0.130 12.473 6.272 1.00 0.00 O ATOM 0 H SER A 93 1.411 12.479 3.100 1.00 0.00 H new ATOM 0 HA SER A 93 -0.289 14.370 4.588 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.122 12.812 5.767 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.336 14.138 6.601 1.00 0.00 H new ATOM 0 HG SER A 93 -0.432 12.921 6.939 1.00 0.00 H new ATOM 1243 N SER A 94 1.457 16.093 4.766 1.00 0.00 N ATOM 1244 CA SER A 94 2.280 17.317 4.580 1.00 0.00 C ATOM 1245 C SER A 94 2.504 17.890 5.981 1.00 0.00 C ATOM 1246 O SER A 94 1.753 17.591 6.887 1.00 0.00 O ATOM 1247 CB SER A 94 1.491 18.330 3.747 1.00 0.00 C ATOM 1248 OG SER A 94 0.848 19.150 4.713 1.00 0.00 O ATOM 0 H SER A 94 0.719 16.196 5.463 1.00 0.00 H new ATOM 0 HA SER A 94 3.221 17.100 4.074 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.148 18.914 3.103 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.767 17.835 3.099 1.00 0.00 H new ATOM 0 HG SER A 94 0.316 19.836 4.258 1.00 0.00 H new ATOM 1254 N PRO A 95 3.475 18.753 6.105 1.00 0.00 N ATOM 1255 CA PRO A 95 3.888 19.294 7.419 1.00 0.00 C ATOM 1256 C PRO A 95 2.712 19.767 8.290 1.00 0.00 C ATOM 1257 O PRO A 95 2.888 19.999 9.469 1.00 0.00 O ATOM 1258 CB PRO A 95 4.828 20.457 7.082 1.00 0.00 C ATOM 1259 CG PRO A 95 5.209 20.309 5.580 1.00 0.00 C ATOM 1260 CD PRO A 95 4.227 19.301 4.952 1.00 0.00 C ATOM 0 HA PRO A 95 4.365 18.518 8.018 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.339 21.414 7.264 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.718 20.429 7.711 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.148 21.271 5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.236 19.959 5.477 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.562 19.786 4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 95 4.755 18.515 4.412 1.00 0.00 H new ATOM 1268 N SER A 96 1.542 19.908 7.719 1.00 0.00 N ATOM 1269 CA SER A 96 0.394 20.373 8.557 1.00 0.00 C ATOM 1270 C SER A 96 -0.950 19.802 8.087 1.00 0.00 C ATOM 1271 O SER A 96 -1.985 20.404 8.300 1.00 0.00 O ATOM 1272 CB SER A 96 0.337 21.905 8.494 1.00 0.00 C ATOM 1273 OG SER A 96 1.466 22.327 9.246 1.00 0.00 O ATOM 0 H SER A 96 1.334 19.727 6.737 1.00 0.00 H new ATOM 0 HA SER A 96 0.557 20.019 9.575 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.387 22.263 7.466 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.591 22.287 8.920 1.00 0.00 H new ATOM 0 HG SER A 96 2.006 21.547 9.492 1.00 0.00 H new ATOM 1279 N GLY A 97 -0.919 18.658 7.458 1.00 0.00 N ATOM 1280 CA GLY A 97 -2.201 18.060 6.979 1.00 0.00 C ATOM 1281 C GLY A 97 -2.052 16.560 6.719 1.00 0.00 C ATOM 1282 O GLY A 97 -0.986 16.111 6.349 1.00 0.00 O ATOM 0 H GLY A 97 -0.077 18.118 7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.982 18.227 7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.518 18.560 6.064 1.00 0.00 H new ATOM 1286 N SER A 98 -3.129 15.836 6.894 1.00 0.00 N ATOM 1287 CA SER A 98 -3.083 14.361 6.662 1.00 0.00 C ATOM 1288 C SER A 98 -4.396 13.831 6.064 1.00 0.00 C ATOM 1289 O SER A 98 -5.472 14.187 6.502 1.00 0.00 O ATOM 1290 CB SER A 98 -2.834 13.668 8.003 1.00 0.00 C ATOM 1291 OG SER A 98 -1.486 13.998 8.302 1.00 0.00 O ATOM 0 H SER A 98 -4.035 16.202 7.187 1.00 0.00 H new ATOM 0 HA SER A 98 -2.284 14.151 5.951 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.516 14.028 8.773 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.976 12.590 7.930 1.00 0.00 H new ATOM 0 HG SER A 98 -1.232 13.593 9.158 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.266 12.989 5.073 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.473 12.391 4.421 1.00 0.00 C ATOM 1299 C ASP A 99 -5.258 10.878 4.332 1.00 0.00 C ATOM 1300 O ASP A 99 -4.174 10.442 3.999 1.00 0.00 O ATOM 1301 CB ASP A 99 -5.614 12.980 3.013 1.00 0.00 C ATOM 1302 CG ASP A 99 -7.071 12.856 2.559 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -7.827 13.735 2.942 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -7.350 11.896 1.860 1.00 0.00 O ATOM 0 H ASP A 99 -3.373 12.687 4.684 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.376 12.607 4.992 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.308 14.026 3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.958 12.455 2.319 1.00 0.00 H new ATOM 1309 N THR A 100 -6.276 10.105 4.605 1.00 0.00 N ATOM 1310 CA THR A 100 -6.063 8.629 4.553 1.00 0.00 C ATOM 1311 C THR A 100 -7.109 7.846 3.746 1.00 0.00 C ATOM 1312 O THR A 100 -8.266 8.202 3.659 1.00 0.00 O ATOM 1313 CB THR A 100 -6.045 8.111 5.992 1.00 0.00 C ATOM 1314 OG1 THR A 100 -5.047 8.896 6.629 1.00 0.00 O ATOM 1315 CG2 THR A 100 -5.490 6.685 6.053 1.00 0.00 C ATOM 0 H THR A 100 -7.215 10.417 4.854 1.00 0.00 H new ATOM 0 HA THR A 100 -5.120 8.466 4.030 1.00 0.00 H new ATOM 0 HB THR A 100 -7.046 8.149 6.422 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.970 8.627 7.568 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.488 6.339 7.087 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.115 6.025 5.451 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.472 6.674 5.664 1.00 0.00 H new ATOM 1323 N THR A 101 -6.612 6.778 3.180 1.00 0.00 N ATOM 1324 CA THR A 101 -7.437 5.840 2.353 1.00 0.00 C ATOM 1325 C THR A 101 -7.205 4.410 2.873 1.00 0.00 C ATOM 1326 O THR A 101 -6.073 4.073 3.144 1.00 0.00 O ATOM 1327 CB THR A 101 -6.951 5.954 0.900 1.00 0.00 C ATOM 1328 OG1 THR A 101 -5.624 6.450 1.004 1.00 0.00 O ATOM 1329 CG2 THR A 101 -7.707 7.062 0.175 1.00 0.00 C ATOM 0 H THR A 101 -5.632 6.506 3.259 1.00 0.00 H new ATOM 0 HA THR A 101 -8.499 6.079 2.411 1.00 0.00 H new ATOM 0 HB THR A 101 -7.067 5.001 0.383 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.470 7.121 0.306 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.353 7.132 -0.853 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.773 6.836 0.177 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.536 8.011 0.683 1.00 0.00 H new ATOM 1337 N TYR A 102 -8.207 3.566 2.956 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.917 2.202 3.518 1.00 0.00 C ATOM 1339 C TYR A 102 -8.005 1.024 2.532 1.00 0.00 C ATOM 1340 O TYR A 102 -9.069 0.524 2.231 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.886 1.964 4.665 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.298 2.558 5.943 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -8.451 3.899 6.219 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -7.609 1.758 6.829 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -7.921 4.438 7.374 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -7.079 2.295 7.985 1.00 0.00 C ATOM 1347 CZ TYR A 102 -7.232 3.639 8.265 1.00 0.00 C ATOM 1348 OH TYR A 102 -6.702 4.176 9.419 1.00 0.00 O ATOM 0 H TYR A 102 -9.171 3.746 2.674 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.871 2.220 3.825 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.850 2.423 4.445 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.063 0.896 4.793 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.988 4.532 5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.483 0.706 6.618 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -8.046 5.490 7.582 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.542 1.661 8.674 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.251 3.472 9.930 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.868 0.567 2.085 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.831 -0.573 1.126 1.00 0.00 C ATOM 1360 C PHE A 103 -6.707 -1.897 1.865 1.00 0.00 C ATOM 1361 O PHE A 103 -5.675 -2.194 2.430 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.602 -0.444 0.228 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.606 0.913 -0.463 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.317 2.062 0.243 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -5.891 0.993 -1.810 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.312 3.285 -0.392 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -5.887 2.217 -2.449 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.599 3.363 -1.737 1.00 0.00 C ATOM 0 H PHE A 103 -5.954 0.938 2.346 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.754 -0.551 0.546 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.694 -0.558 0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.599 -1.241 -0.516 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.094 2.003 1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.118 0.096 -2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -5.083 4.182 0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.109 2.277 -3.504 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.599 4.322 -2.234 1.00 0.00 H new ATOM 1378 N SER A 104 -7.747 -2.679 1.885 1.00 0.00 N ATOM 1379 CA SER A 104 -7.578 -3.981 2.575 1.00 0.00 C ATOM 1380 C SER A 104 -6.915 -4.885 1.542 1.00 0.00 C ATOM 1381 O SER A 104 -7.468 -5.140 0.492 1.00 0.00 O ATOM 1382 CB SER A 104 -8.948 -4.531 3.010 1.00 0.00 C ATOM 1383 OG SER A 104 -9.158 -5.685 2.209 1.00 0.00 O ATOM 0 H SER A 104 -8.662 -2.488 1.476 1.00 0.00 H new ATOM 0 HA SER A 104 -6.978 -3.905 3.482 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.953 -4.782 4.071 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.736 -3.794 2.853 1.00 0.00 H new ATOM 0 HG SER A 104 -10.021 -6.089 2.438 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.719 -5.317 1.819 1.00 0.00 N ATOM 1390 CA VAL A 105 -5.060 -6.199 0.822 1.00 0.00 C ATOM 1391 C VAL A 105 -4.811 -7.526 1.517 1.00 0.00 C ATOM 1392 O VAL A 105 -4.195 -7.601 2.561 1.00 0.00 O ATOM 1393 CB VAL A 105 -3.751 -5.567 0.334 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -3.801 -4.052 0.553 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -2.569 -6.171 1.087 1.00 0.00 C ATOM 0 H VAL A 105 -5.185 -5.107 2.662 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.684 -6.343 -0.060 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.626 -5.769 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.870 -3.603 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.637 -3.631 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.931 -3.842 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.643 -5.717 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.683 -5.982 2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.536 -7.246 0.910 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.350 -8.549 0.933 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.183 -9.886 1.556 1.00 0.00 C ATOM 1407 C ASN A 106 -4.655 -10.939 0.593 1.00 0.00 C ATOM 1408 O ASN A 106 -5.077 -11.055 -0.541 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.535 -10.338 2.124 1.00 0.00 C ATOM 1410 CG ASN A 106 -7.693 -9.868 1.239 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -7.842 -8.698 0.949 1.00 0.00 O ATOM 1412 ND2 ASN A 106 -8.550 -10.755 0.815 1.00 0.00 N ATOM 0 H ASN A 106 -5.890 -8.524 0.068 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.436 -9.787 2.344 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.553 -11.425 2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.660 -9.942 3.132 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.342 -10.465 0.242 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.428 -11.738 1.057 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.672 -11.651 1.065 1.00 0.00 N ATOM 1420 CA VAL A 107 -3.114 -12.744 0.228 1.00 0.00 C ATOM 1421 C VAL A 107 -4.046 -13.960 0.338 1.00 0.00 C ATOM 1422 O VAL A 107 -4.509 -14.316 1.403 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.713 -13.079 0.749 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -1.811 -14.002 1.968 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -0.929 -13.781 -0.363 1.00 0.00 C ATOM 0 H VAL A 107 -3.237 -11.526 1.979 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.041 -12.449 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.205 -12.161 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.809 -14.234 2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.376 -13.505 2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.317 -14.925 1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.071 -14.025 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.445 -14.697 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.854 -13.121 -1.227 1.00 0.00 H new ATOM 1435 N SER A 108 -4.245 -14.613 -0.773 1.00 0.00 N ATOM 1436 CA SER A 108 -5.160 -15.789 -0.808 1.00 0.00 C ATOM 1437 C SER A 108 -4.518 -17.051 -0.240 1.00 0.00 C ATOM 1438 O SER A 108 -4.621 -18.132 -0.785 1.00 0.00 O ATOM 1439 CB SER A 108 -5.533 -16.016 -2.262 1.00 0.00 C ATOM 1440 OG SER A 108 -6.473 -17.080 -2.258 1.00 0.00 O ATOM 0 H SER A 108 -3.810 -14.381 -1.666 1.00 0.00 H new ATOM 0 HA SER A 108 -6.032 -15.582 -0.187 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.963 -15.116 -2.701 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.655 -16.272 -2.856 1.00 0.00 H new ATOM 0 HG SER A 108 -6.130 -17.817 -1.711 1.00 0.00 H new