USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 554 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 25 ASN : amide:sc= 0 K(o=-0.025,f=-1.4) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -141:sc= -0.0252 (180deg=-0.208) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 23 SER OG : rot -110:sc= -3.62! USER MOD Single : A 24 MET CE :methyl 173:sc= 0 (180deg=-0.0896) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.407) USER MOD Single : A 41 LYS NZ :NH3+ -132:sc= -1.62 (180deg=-3.88) USER MOD Single : A 43 TYR OH : rot 30:sc=-0.00626 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= 0.111 (180deg=0.0526) USER MOD Single : A 48 GLN : amide:sc= -3.24 K(o=-3.2,f=-7.9!) USER MOD Single : A 50 THR OG1 : rot -100:sc= 0.884 USER MOD Single : A 54 CYS SG : rot 107:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.64) USER MOD Single : A 56 MET CE :methyl -146:sc= -0.839 (180deg=-3.73!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= -0.0148 (180deg=-0.0148) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 173:sc= -0.93 (180deg=-1) USER MOD Single : A 69 LYS NZ :NH3+ -166:sc= -3.64! (180deg=-4.25!) USER MOD Single : A 74 ASN : amide:sc= -0.0618 K(o=-0.062,f=-0.75) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -1.83 K(o=-1.8,f=-4.2!) USER MOD Single : A 87 ASN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.947 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 246 N ASP A 19 1.785 0.826 -11.072 1.00 0.00 N ATOM 247 CA ASP A 19 0.434 1.119 -10.606 1.00 0.00 C ATOM 248 C ASP A 19 0.460 1.698 -9.195 1.00 0.00 C ATOM 249 O ASP A 19 -0.352 2.556 -8.850 1.00 0.00 O ATOM 250 CB ASP A 19 -0.424 -0.147 -10.635 1.00 0.00 C ATOM 251 CG ASP A 19 -1.022 -0.409 -12.003 1.00 0.00 C ATOM 252 OD1 ASP A 19 -0.320 -0.182 -13.011 1.00 0.00 O ATOM 253 OD2 ASP A 19 -2.191 -0.843 -12.066 1.00 0.00 O ATOM 0 HA ASP A 19 -0.002 1.860 -11.276 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.184 -1.001 -10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.226 -0.056 -9.902 1.00 0.00 H new ATOM 258 N PHE A 20 1.398 1.222 -8.383 1.00 0.00 N ATOM 259 CA PHE A 20 1.529 1.691 -7.008 1.00 0.00 C ATOM 260 C PHE A 20 1.969 3.152 -6.971 1.00 0.00 C ATOM 261 O PHE A 20 1.353 3.979 -6.300 1.00 0.00 O ATOM 262 CB PHE A 20 2.533 0.825 -6.244 1.00 0.00 C ATOM 263 CG PHE A 20 2.575 1.114 -4.771 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.139 2.287 -4.297 1.00 0.00 C ATOM 265 CD2 PHE A 20 2.050 0.211 -3.860 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.179 2.556 -2.942 1.00 0.00 C ATOM 267 CE2 PHE A 20 2.087 0.475 -2.504 1.00 0.00 C ATOM 268 CZ PHE A 20 2.653 1.648 -2.044 1.00 0.00 C ATOM 0 H PHE A 20 2.079 0.512 -8.653 1.00 0.00 H new ATOM 0 HA PHE A 20 0.553 1.611 -6.529 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.282 -0.225 -6.393 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.527 0.978 -6.665 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.553 3.000 -4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.607 -0.709 -4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.621 3.475 -2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.673 -0.236 -1.804 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.684 1.855 -0.984 1.00 0.00 H new ATOM 278 N GLU A 21 3.039 3.460 -7.697 1.00 0.00 N ATOM 279 CA GLU A 21 3.563 4.820 -7.747 1.00 0.00 C ATOM 280 C GLU A 21 2.460 5.815 -8.095 1.00 0.00 C ATOM 281 O GLU A 21 2.536 6.991 -7.742 1.00 0.00 O ATOM 282 CB GLU A 21 4.696 4.917 -8.771 1.00 0.00 C ATOM 283 CG GLU A 21 6.020 4.366 -8.268 1.00 0.00 C ATOM 284 CD GLU A 21 7.092 4.356 -9.340 1.00 0.00 C ATOM 285 OE1 GLU A 21 7.164 3.366 -10.098 1.00 0.00 O ATOM 286 OE2 GLU A 21 7.859 5.338 -9.422 1.00 0.00 O ATOM 0 H GLU A 21 3.560 2.786 -8.259 1.00 0.00 H new ATOM 0 HA GLU A 21 3.954 5.068 -6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.407 4.377 -9.673 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.830 5.961 -9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.361 4.965 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.870 3.351 -7.899 1.00 0.00 H new ATOM 293 N ASN A 22 1.435 5.334 -8.792 1.00 0.00 N ATOM 294 CA ASN A 22 0.317 6.181 -9.190 1.00 0.00 C ATOM 295 C ASN A 22 -0.722 6.268 -8.077 1.00 0.00 C ATOM 296 O ASN A 22 -1.270 7.337 -7.808 1.00 0.00 O ATOM 297 CB ASN A 22 -0.331 5.639 -10.466 1.00 0.00 C ATOM 298 CG ASN A 22 0.471 5.973 -11.709 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.803 7.133 -11.954 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.787 4.955 -12.500 1.00 0.00 N ATOM 0 H ASN A 22 1.356 4.362 -9.092 1.00 0.00 H new ATOM 0 HA ASN A 22 0.702 7.182 -9.383 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.437 4.557 -10.385 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.335 6.051 -10.563 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.326 5.118 -13.350 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.491 4.010 -12.258 1.00 0.00 H new ATOM 307 N SER A 23 -0.988 5.137 -7.432 1.00 0.00 N ATOM 308 CA SER A 23 -1.964 5.085 -6.350 1.00 0.00 C ATOM 309 C SER A 23 -1.533 5.973 -5.187 1.00 0.00 C ATOM 310 O SER A 23 -2.306 6.801 -4.705 1.00 0.00 O ATOM 311 CB SER A 23 -2.144 3.644 -5.866 1.00 0.00 C ATOM 312 OG SER A 23 -2.828 2.864 -6.831 1.00 0.00 O ATOM 0 H SER A 23 -0.541 4.244 -7.640 1.00 0.00 H new ATOM 0 HA SER A 23 -2.915 5.454 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.169 3.202 -5.661 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.700 3.639 -4.929 1.00 0.00 H new ATOM 0 HG SER A 23 -3.725 2.647 -6.500 1.00 0.00 H new ATOM 318 N MET A 24 -0.293 5.795 -4.742 1.00 0.00 N ATOM 319 CA MET A 24 0.242 6.582 -3.636 1.00 0.00 C ATOM 320 C MET A 24 0.130 8.075 -3.927 1.00 0.00 C ATOM 321 O MET A 24 -0.121 8.875 -3.027 1.00 0.00 O ATOM 322 CB MET A 24 1.702 6.209 -3.377 1.00 0.00 C ATOM 323 CG MET A 24 2.587 6.328 -4.607 1.00 0.00 C ATOM 324 SD MET A 24 4.294 6.742 -4.198 1.00 0.00 S ATOM 325 CE MET A 24 4.621 8.043 -5.385 1.00 0.00 C ATOM 0 H MET A 24 0.360 5.114 -5.130 1.00 0.00 H new ATOM 0 HA MET A 24 -0.346 6.359 -2.746 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.099 6.851 -2.591 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.746 5.185 -3.005 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.567 5.387 -5.156 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.181 7.092 -5.269 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.594 8.488 -5.178 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.620 7.626 -6.392 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.848 8.808 -5.308 1.00 0.00 H new ATOM 335 N ASN A 25 0.318 8.443 -5.190 1.00 0.00 N ATOM 336 CA ASN A 25 0.240 9.841 -5.599 1.00 0.00 C ATOM 337 C ASN A 25 -1.162 10.397 -5.368 1.00 0.00 C ATOM 338 O ASN A 25 -1.327 11.462 -4.774 1.00 0.00 O ATOM 339 CB ASN A 25 0.620 9.985 -7.074 1.00 0.00 C ATOM 340 CG ASN A 25 0.758 11.435 -7.497 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.825 12.334 -6.658 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.801 11.668 -8.803 1.00 0.00 N ATOM 0 H ASN A 25 0.525 7.793 -5.948 1.00 0.00 H new ATOM 0 HA ASN A 25 0.944 10.411 -4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.561 9.465 -7.256 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.137 9.500 -7.690 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.893 12.624 -9.148 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.742 10.892 -9.462 1.00 0.00 H new ATOM 349 N GLN A 26 -2.168 9.668 -5.840 1.00 0.00 N ATOM 350 CA GLN A 26 -3.555 10.088 -5.684 1.00 0.00 C ATOM 351 C GLN A 26 -3.863 10.421 -4.228 1.00 0.00 C ATOM 352 O GLN A 26 -4.560 11.393 -3.936 1.00 0.00 O ATOM 353 CB GLN A 26 -4.501 8.994 -6.181 1.00 0.00 C ATOM 354 CG GLN A 26 -4.284 8.617 -7.638 1.00 0.00 C ATOM 355 CD GLN A 26 -5.269 7.571 -8.123 1.00 0.00 C ATOM 356 OE1 GLN A 26 -4.984 6.374 -8.097 1.00 0.00 O ATOM 357 NE2 GLN A 26 -6.436 8.020 -8.570 1.00 0.00 N ATOM 0 H GLN A 26 -2.048 8.783 -6.334 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.705 10.987 -6.282 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.373 8.106 -5.562 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.530 9.328 -6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.373 9.509 -8.257 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.269 8.241 -7.765 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.630 9.021 -8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.139 7.363 -8.910 1.00 0.00 H new ATOM 366 N VAL A 27 -3.339 9.607 -3.317 1.00 0.00 N ATOM 367 CA VAL A 27 -3.557 9.815 -1.890 1.00 0.00 C ATOM 368 C VAL A 27 -3.001 11.161 -1.440 1.00 0.00 C ATOM 369 O VAL A 27 -3.469 11.742 -0.461 1.00 0.00 O ATOM 370 CB VAL A 27 -2.907 8.697 -1.054 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.168 8.918 0.428 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.419 7.335 -1.497 1.00 0.00 C ATOM 0 H VAL A 27 -2.761 8.797 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.635 9.798 -1.728 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.830 8.725 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.701 8.118 1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.748 9.877 0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.242 8.918 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.949 6.557 -0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.500 7.292 -1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.175 7.179 -2.548 1.00 0.00 H new ATOM 382 N LYS A 28 -1.999 11.652 -2.161 1.00 0.00 N ATOM 383 CA LYS A 28 -1.378 12.931 -1.838 1.00 0.00 C ATOM 384 C LYS A 28 -2.082 14.076 -2.561 1.00 0.00 C ATOM 385 O LYS A 28 -1.961 15.238 -2.171 1.00 0.00 O ATOM 386 CB LYS A 28 0.105 12.911 -2.216 1.00 0.00 C ATOM 387 CG LYS A 28 0.925 11.924 -1.404 1.00 0.00 C ATOM 388 CD LYS A 28 2.415 12.193 -1.539 1.00 0.00 C ATOM 389 CE LYS A 28 3.017 11.426 -2.706 1.00 0.00 C ATOM 390 NZ LYS A 28 2.952 12.205 -3.974 1.00 0.00 N ATOM 0 H LYS A 28 -1.599 11.183 -2.974 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.471 13.091 -0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.199 12.665 -3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.519 13.911 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.637 11.986 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.706 10.909 -1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.582 13.261 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.922 11.910 -0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.055 11.181 -2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.487 10.482 -2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.723 11.567 -4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.216 12.936 -3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.872 12.657 -4.151 1.00 0.00 H new ATOM 519 N ASN A 36 -7.477 9.593 10.439 1.00 0.00 N ATOM 520 CA ASN A 36 -6.204 8.945 10.735 1.00 0.00 C ATOM 521 C ASN A 36 -6.311 7.433 10.561 1.00 0.00 C ATOM 522 O ASN A 36 -5.301 6.741 10.440 1.00 0.00 O ATOM 523 CB ASN A 36 -5.759 9.276 12.161 1.00 0.00 C ATOM 524 CG ASN A 36 -5.042 10.609 12.248 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.623 11.659 11.971 1.00 0.00 O ATOM 526 ND2 ASN A 36 -3.771 10.573 12.633 1.00 0.00 N ATOM 0 HA ASN A 36 -5.460 9.322 10.033 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.630 9.292 12.816 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.100 8.488 12.525 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.236 11.438 12.709 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.330 9.680 12.853 1.00 0.00 H new ATOM 533 N GLU A 37 -7.541 6.929 10.550 1.00 0.00 N ATOM 534 CA GLU A 37 -7.778 5.499 10.392 1.00 0.00 C ATOM 535 C GLU A 37 -7.249 5.006 9.048 1.00 0.00 C ATOM 536 O GLU A 37 -6.706 3.905 8.948 1.00 0.00 O ATOM 537 CB GLU A 37 -9.273 5.192 10.508 1.00 0.00 C ATOM 538 CG GLU A 37 -10.064 5.539 9.258 1.00 0.00 C ATOM 539 CD GLU A 37 -10.341 7.025 9.137 1.00 0.00 C ATOM 540 OE1 GLU A 37 -10.611 7.664 10.175 1.00 0.00 O ATOM 541 OE2 GLU A 37 -10.287 7.548 8.004 1.00 0.00 O ATOM 0 H GLU A 37 -8.388 7.489 10.649 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.245 4.977 11.187 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.402 4.132 10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.684 5.744 11.353 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.514 5.203 8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.009 4.997 9.269 1.00 0.00 H new ATOM 548 N VAL A 38 -7.412 5.827 8.016 1.00 0.00 N ATOM 549 CA VAL A 38 -6.951 5.476 6.678 1.00 0.00 C ATOM 550 C VAL A 38 -5.489 5.859 6.483 1.00 0.00 C ATOM 551 O VAL A 38 -4.711 5.105 5.898 1.00 0.00 O ATOM 552 CB VAL A 38 -7.800 6.165 5.593 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.913 7.656 5.870 1.00 0.00 C ATOM 554 CG2 VAL A 38 -7.208 5.913 4.215 1.00 0.00 C ATOM 0 H VAL A 38 -7.860 6.741 8.081 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.057 4.396 6.580 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.803 5.739 5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.516 8.126 5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.386 7.811 6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.918 8.101 5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.820 6.407 3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.194 6.310 4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.185 4.841 4.019 1.00 0.00 H new ATOM 564 N LYS A 39 -5.120 7.036 6.977 1.00 0.00 N ATOM 565 CA LYS A 39 -3.749 7.520 6.860 1.00 0.00 C ATOM 566 C LYS A 39 -2.756 6.458 7.320 1.00 0.00 C ATOM 567 O LYS A 39 -1.582 6.488 6.947 1.00 0.00 O ATOM 568 CB LYS A 39 -3.565 8.797 7.682 1.00 0.00 C ATOM 569 CG LYS A 39 -3.862 10.069 6.906 1.00 0.00 C ATOM 570 CD LYS A 39 -5.320 10.473 7.035 1.00 0.00 C ATOM 571 CE LYS A 39 -5.521 11.945 6.708 1.00 0.00 C ATOM 572 NZ LYS A 39 -4.644 12.390 5.589 1.00 0.00 N ATOM 0 H LYS A 39 -5.752 7.673 7.463 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.557 7.741 5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.216 8.754 8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.540 8.837 8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.226 10.876 7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.616 9.921 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.928 9.864 6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.666 10.274 8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.564 12.119 6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.313 12.545 7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.990 13.298 5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.671 12.506 5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.659 11.677 4.832 1.00 0.00 H new ATOM 586 N LEU A 40 -3.233 5.521 8.132 1.00 0.00 N ATOM 587 CA LEU A 40 -2.386 4.448 8.642 1.00 0.00 C ATOM 588 C LEU A 40 -2.381 3.258 7.689 1.00 0.00 C ATOM 589 O LEU A 40 -1.323 2.740 7.329 1.00 0.00 O ATOM 590 CB LEU A 40 -2.867 4.006 10.025 1.00 0.00 C ATOM 591 CG LEU A 40 -2.609 4.986 11.171 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.595 4.754 12.304 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.178 4.854 11.672 1.00 0.00 C ATOM 0 H LEU A 40 -4.201 5.482 8.451 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.368 4.829 8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.939 3.815 9.971 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.387 3.058 10.269 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.750 6.000 10.796 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.396 5.460 13.110 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.611 4.899 11.937 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.486 3.736 12.678 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.011 5.558 12.487 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.010 3.838 12.030 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.486 5.071 10.858 1.00 0.00 H new ATOM 605 N LYS A 41 -3.570 2.828 7.280 1.00 0.00 N ATOM 606 CA LYS A 41 -3.705 1.701 6.365 1.00 0.00 C ATOM 607 C LYS A 41 -2.844 1.904 5.122 1.00 0.00 C ATOM 608 O LYS A 41 -2.287 0.949 4.578 1.00 0.00 O ATOM 609 CB LYS A 41 -5.169 1.518 5.960 1.00 0.00 C ATOM 610 CG LYS A 41 -5.550 2.275 4.700 1.00 0.00 C ATOM 611 CD LYS A 41 -7.058 2.340 4.523 1.00 0.00 C ATOM 612 CE LYS A 41 -7.653 0.958 4.302 1.00 0.00 C ATOM 613 NZ LYS A 41 -6.980 0.236 3.187 1.00 0.00 N ATOM 0 H LYS A 41 -4.455 3.244 7.569 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.363 0.804 6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.366 0.457 5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.808 1.848 6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.144 3.286 4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.102 1.790 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.510 2.795 5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.299 2.981 3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.565 0.374 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.717 1.051 4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.698 -0.165 2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.379 0.899 2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.393 -0.530 3.574 1.00 0.00 H new ATOM 627 N LEU A 42 -2.738 3.151 4.679 1.00 0.00 N ATOM 628 CA LEU A 42 -1.943 3.479 3.500 1.00 0.00 C ATOM 629 C LEU A 42 -0.453 3.341 3.793 1.00 0.00 C ATOM 630 O LEU A 42 0.340 3.038 2.901 1.00 0.00 O ATOM 631 CB LEU A 42 -2.253 4.902 3.032 1.00 0.00 C ATOM 632 CG LEU A 42 -3.390 5.043 2.019 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.163 4.121 0.831 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.730 4.749 2.677 1.00 0.00 C ATOM 0 H LEU A 42 -3.192 3.952 5.118 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.205 2.777 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.495 5.506 3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.349 5.324 2.594 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.404 6.071 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.982 4.235 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.222 4.379 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.122 3.088 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.527 4.854 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.728 3.731 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.896 5.451 3.494 1.00 0.00 H new ATOM 646 N TYR A 43 -0.079 3.564 5.048 1.00 0.00 N ATOM 647 CA TYR A 43 1.317 3.465 5.459 1.00 0.00 C ATOM 648 C TYR A 43 1.689 2.020 5.780 1.00 0.00 C ATOM 649 O TYR A 43 2.822 1.596 5.561 1.00 0.00 O ATOM 650 CB TYR A 43 1.577 4.353 6.676 1.00 0.00 C ATOM 651 CG TYR A 43 2.634 3.808 7.609 1.00 0.00 C ATOM 652 CD1 TYR A 43 2.301 2.926 8.630 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.967 4.174 7.469 1.00 0.00 C ATOM 654 CE1 TYR A 43 3.264 2.426 9.485 1.00 0.00 C ATOM 655 CE2 TYR A 43 4.937 3.678 8.319 1.00 0.00 C ATOM 656 CZ TYR A 43 4.581 2.805 9.325 1.00 0.00 C ATOM 657 OH TYR A 43 5.543 2.308 10.174 1.00 0.00 O ATOM 0 H TYR A 43 -0.723 3.815 5.798 1.00 0.00 H new ATOM 0 HA TYR A 43 1.938 3.806 4.631 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.881 5.343 6.335 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.646 4.479 7.229 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.271 2.626 8.757 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.250 4.858 6.682 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.988 1.742 10.274 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.969 3.973 8.196 1.00 0.00 H new ATOM 0 HH TYR A 43 5.279 1.415 10.480 1.00 0.00 H new ATOM 667 N ALA A 44 0.724 1.270 6.302 1.00 0.00 N ATOM 668 CA ALA A 44 0.947 -0.127 6.652 1.00 0.00 C ATOM 669 C ALA A 44 1.417 -0.928 5.442 1.00 0.00 C ATOM 670 O ALA A 44 2.374 -1.698 5.528 1.00 0.00 O ATOM 671 CB ALA A 44 -0.322 -0.736 7.230 1.00 0.00 C ATOM 0 H ALA A 44 -0.220 1.607 6.492 1.00 0.00 H new ATOM 0 HA ALA A 44 1.732 -0.165 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.140 -1.780 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.614 -0.187 8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.122 -0.678 6.492 1.00 0.00 H new ATOM 677 N LEU A 45 0.738 -0.742 4.316 1.00 0.00 N ATOM 678 CA LEU A 45 1.085 -1.448 3.087 1.00 0.00 C ATOM 679 C LEU A 45 2.394 -0.921 2.508 1.00 0.00 C ATOM 680 O LEU A 45 3.263 -1.695 2.107 1.00 0.00 O ATOM 681 CB LEU A 45 -0.036 -1.302 2.057 1.00 0.00 C ATOM 682 CG LEU A 45 -1.273 -2.172 2.284 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.869 -3.570 2.725 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.194 -1.532 3.312 1.00 0.00 C ATOM 0 H LEU A 45 -0.056 -0.108 4.228 1.00 0.00 H new ATOM 0 HA LEU A 45 1.213 -2.503 3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.349 -0.258 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.370 -1.533 1.072 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.814 -2.253 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.762 -4.174 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.250 -4.030 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.304 -3.509 3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.069 -2.165 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.662 -1.420 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.512 -0.552 2.956 1.00 0.00 H new ATOM 696 N TYR A 46 2.529 0.400 2.470 1.00 0.00 N ATOM 697 CA TYR A 46 3.732 1.031 1.941 1.00 0.00 C ATOM 698 C TYR A 46 4.987 0.364 2.497 1.00 0.00 C ATOM 699 O TYR A 46 5.851 -0.087 1.744 1.00 0.00 O ATOM 700 CB TYR A 46 3.742 2.523 2.278 1.00 0.00 C ATOM 701 CG TYR A 46 5.052 3.207 1.958 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.361 3.586 0.657 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.981 3.474 2.956 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.556 4.211 0.360 1.00 0.00 C ATOM 705 CE2 TYR A 46 7.179 4.100 2.668 1.00 0.00 C ATOM 706 CZ TYR A 46 7.462 4.466 1.369 1.00 0.00 C ATOM 707 OH TYR A 46 8.654 5.088 1.078 1.00 0.00 O ATOM 0 H TYR A 46 1.820 1.055 2.799 1.00 0.00 H new ATOM 0 HA TYR A 46 3.728 0.910 0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.940 3.016 1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.526 2.649 3.339 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.654 3.388 -0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.763 3.187 3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.780 4.499 -0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.890 4.301 3.456 1.00 0.00 H new ATOM 0 HH TYR A 46 9.177 5.194 1.900 1.00 0.00 H new ATOM 717 N LYS A 47 5.080 0.304 3.821 1.00 0.00 N ATOM 718 CA LYS A 47 6.226 -0.309 4.481 1.00 0.00 C ATOM 719 C LYS A 47 6.240 -1.818 4.258 1.00 0.00 C ATOM 720 O LYS A 47 7.256 -2.477 4.476 1.00 0.00 O ATOM 721 CB LYS A 47 6.200 -0.005 5.981 1.00 0.00 C ATOM 722 CG LYS A 47 6.052 1.473 6.299 1.00 0.00 C ATOM 723 CD LYS A 47 7.392 2.189 6.256 1.00 0.00 C ATOM 724 CE LYS A 47 8.096 2.135 7.603 1.00 0.00 C ATOM 725 NZ LYS A 47 9.101 3.224 7.748 1.00 0.00 N ATOM 0 H LYS A 47 4.374 0.673 4.459 1.00 0.00 H new ATOM 0 HA LYS A 47 7.132 0.113 4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.376 -0.551 6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.119 -0.375 6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.369 1.933 5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.607 1.591 7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.025 1.733 5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.241 3.228 5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.358 2.213 8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.588 1.169 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.348 3.337 8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.955 2.982 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.703 4.114 7.387 1.00 0.00 H new ATOM 739 N GLN A 48 5.106 -2.357 3.821 1.00 0.00 N ATOM 740 CA GLN A 48 4.990 -3.788 3.567 1.00 0.00 C ATOM 741 C GLN A 48 5.406 -4.124 2.139 1.00 0.00 C ATOM 742 O GLN A 48 5.853 -5.236 1.858 1.00 0.00 O ATOM 743 CB GLN A 48 3.555 -4.257 3.816 1.00 0.00 C ATOM 744 CG GLN A 48 3.426 -5.763 3.979 1.00 0.00 C ATOM 745 CD GLN A 48 3.643 -6.216 5.409 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.607 -5.411 6.340 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.870 -7.512 5.592 1.00 0.00 N ATOM 0 H GLN A 48 4.256 -1.825 3.636 1.00 0.00 H new ATOM 0 HA GLN A 48 5.659 -4.308 4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.173 -3.769 4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.927 -3.935 2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.436 -6.077 3.649 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.150 -6.258 3.331 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.891 -8.144 4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.023 -7.875 6.533 1.00 0.00 H new ATOM 756 N ALA A 49 5.256 -3.156 1.241 1.00 0.00 N ATOM 757 CA ALA A 49 5.618 -3.349 -0.158 1.00 0.00 C ATOM 758 C ALA A 49 6.969 -2.713 -0.468 1.00 0.00 C ATOM 759 O ALA A 49 7.377 -2.631 -1.627 1.00 0.00 O ATOM 760 CB ALA A 49 4.541 -2.773 -1.065 1.00 0.00 C ATOM 0 H ALA A 49 4.886 -2.230 1.457 1.00 0.00 H new ATOM 0 HA ALA A 49 5.699 -4.420 -0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.824 -2.924 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.594 -3.276 -0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.433 -1.706 -0.869 1.00 0.00 H new ATOM 766 N THR A 50 7.660 -2.263 0.576 1.00 0.00 N ATOM 767 CA THR A 50 8.964 -1.633 0.414 1.00 0.00 C ATOM 768 C THR A 50 9.993 -2.251 1.354 1.00 0.00 C ATOM 769 O THR A 50 11.136 -2.490 0.966 1.00 0.00 O ATOM 770 CB THR A 50 8.891 -0.117 0.676 1.00 0.00 C ATOM 771 OG1 THR A 50 8.347 0.130 1.977 1.00 0.00 O ATOM 772 CG2 THR A 50 8.037 0.574 -0.376 1.00 0.00 C ATOM 0 H THR A 50 7.338 -2.324 1.542 1.00 0.00 H new ATOM 0 HA THR A 50 9.271 -1.802 -0.618 1.00 0.00 H new ATOM 0 HB THR A 50 9.902 0.287 0.623 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.397 0.359 1.897 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.000 1.644 -0.170 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.471 0.409 -1.362 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.027 0.165 -0.351 1.00 0.00 H new ATOM 780 N GLU A 51 9.579 -2.508 2.591 1.00 0.00 N ATOM 781 CA GLU A 51 10.467 -3.099 3.586 1.00 0.00 C ATOM 782 C GLU A 51 10.085 -4.550 3.862 1.00 0.00 C ATOM 783 O GLU A 51 10.949 -5.413 4.012 1.00 0.00 O ATOM 784 CB GLU A 51 10.422 -2.292 4.885 1.00 0.00 C ATOM 785 CG GLU A 51 10.486 -0.789 4.670 1.00 0.00 C ATOM 786 CD GLU A 51 10.610 -0.019 5.971 1.00 0.00 C ATOM 787 OE1 GLU A 51 11.249 -0.538 6.910 1.00 0.00 O ATOM 788 OE2 GLU A 51 10.069 1.104 6.049 1.00 0.00 O ATOM 0 H GLU A 51 8.635 -2.317 2.928 1.00 0.00 H new ATOM 0 HA GLU A 51 11.482 -3.078 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.505 -2.535 5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.254 -2.595 5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.336 -0.553 4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.590 -0.462 4.143 1.00 0.00 H new ATOM 795 N GLY A 52 8.783 -4.811 3.928 1.00 0.00 N ATOM 796 CA GLY A 52 8.309 -6.158 4.187 1.00 0.00 C ATOM 797 C GLY A 52 7.486 -6.249 5.457 1.00 0.00 C ATOM 798 O GLY A 52 6.781 -5.313 5.833 1.00 0.00 O ATOM 0 H GLY A 52 8.048 -4.114 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.708 -6.497 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.162 -6.832 4.262 1.00 0.00 H new ATOM 802 N PRO A 53 7.569 -7.401 6.139 1.00 0.00 N ATOM 803 CA PRO A 53 6.831 -7.638 7.384 1.00 0.00 C ATOM 804 C PRO A 53 7.363 -6.800 8.542 1.00 0.00 C ATOM 805 O PRO A 53 8.572 -6.620 8.686 1.00 0.00 O ATOM 806 CB PRO A 53 7.060 -9.128 7.653 1.00 0.00 C ATOM 807 CG PRO A 53 8.342 -9.445 6.964 1.00 0.00 C ATOM 808 CD PRO A 53 8.389 -8.560 5.749 1.00 0.00 C ATOM 0 HA PRO A 53 5.780 -7.363 7.294 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.124 -9.332 8.722 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.241 -9.731 7.262 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.193 -9.256 7.618 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.384 -10.497 6.682 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.410 -8.266 5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.983 -9.062 4.870 1.00 0.00 H new ATOM 816 N CYS A 54 6.452 -6.292 9.364 1.00 0.00 N ATOM 817 CA CYS A 54 6.830 -5.472 10.510 1.00 0.00 C ATOM 818 C CYS A 54 7.973 -6.117 11.287 1.00 0.00 C ATOM 819 O CYS A 54 7.773 -7.095 12.007 1.00 0.00 O ATOM 820 CB CYS A 54 5.627 -5.261 11.431 1.00 0.00 C ATOM 821 SG CYS A 54 6.058 -4.671 13.085 1.00 0.00 S ATOM 0 H CYS A 54 5.447 -6.433 9.259 1.00 0.00 H new ATOM 0 HA CYS A 54 7.168 -4.505 10.138 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.949 -4.545 10.967 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.084 -6.202 11.523 1.00 0.00 H new ATOM 0 HG CYS A 54 5.732 -3.418 13.197 1.00 0.00 H new ATOM 827 N ASN A 55 9.171 -5.564 11.135 1.00 0.00 N ATOM 828 CA ASN A 55 10.347 -6.087 11.820 1.00 0.00 C ATOM 829 C ASN A 55 10.965 -5.026 12.727 1.00 0.00 C ATOM 830 O ASN A 55 12.083 -5.187 13.215 1.00 0.00 O ATOM 831 CB ASN A 55 11.383 -6.571 10.804 1.00 0.00 C ATOM 832 CG ASN A 55 12.205 -5.433 10.229 1.00 0.00 C ATOM 833 OD1 ASN A 55 13.203 -5.015 10.817 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.787 -4.925 9.075 1.00 0.00 N ATOM 0 H ASN A 55 9.353 -4.753 10.543 1.00 0.00 H new ATOM 0 HA ASN A 55 10.032 -6.929 12.437 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.048 -7.290 11.282 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.876 -7.095 9.994 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.299 -4.157 8.641 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.954 -5.303 8.623 1.00 0.00 H new ATOM 841 N MET A 56 10.228 -3.943 12.948 1.00 0.00 N ATOM 842 CA MET A 56 10.703 -2.856 13.798 1.00 0.00 C ATOM 843 C MET A 56 10.302 -3.088 15.251 1.00 0.00 C ATOM 844 O MET A 56 9.328 -3.780 15.549 1.00 0.00 O ATOM 845 CB MET A 56 10.145 -1.518 13.310 1.00 0.00 C ATOM 846 CG MET A 56 8.662 -1.562 12.979 1.00 0.00 C ATOM 847 SD MET A 56 7.955 0.079 12.737 1.00 0.00 S ATOM 848 CE MET A 56 8.409 0.874 14.276 1.00 0.00 C ATOM 0 H MET A 56 9.300 -3.794 12.551 1.00 0.00 H new ATOM 0 HA MET A 56 11.791 -2.831 13.739 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.316 -0.762 14.076 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.697 -1.205 12.424 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.513 -2.154 12.076 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.129 -2.068 13.784 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.627 1.575 14.568 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.529 0.120 15.054 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.348 1.412 14.144 1.00 0.00 H new ATOM 858 N PRO A 57 11.070 -2.498 16.179 1.00 0.00 N ATOM 859 CA PRO A 57 10.814 -2.626 17.617 1.00 0.00 C ATOM 860 C PRO A 57 9.553 -1.886 18.049 1.00 0.00 C ATOM 861 O PRO A 57 9.325 -0.743 17.654 1.00 0.00 O ATOM 862 CB PRO A 57 12.052 -1.991 18.255 1.00 0.00 C ATOM 863 CG PRO A 57 12.562 -1.039 17.229 1.00 0.00 C ATOM 864 CD PRO A 57 12.247 -1.660 15.896 1.00 0.00 C ATOM 0 HA PRO A 57 10.650 -3.663 17.912 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.799 -1.476 19.182 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.800 -2.744 18.503 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.084 -0.065 17.329 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.634 -0.881 17.342 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.030 -0.904 15.142 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.082 -2.253 15.522 1.00 0.00 H new ATOM 872 N LYS A 58 8.736 -2.546 18.863 1.00 0.00 N ATOM 873 CA LYS A 58 7.497 -1.951 19.351 1.00 0.00 C ATOM 874 C LYS A 58 7.776 -0.648 20.095 1.00 0.00 C ATOM 875 O LYS A 58 8.563 -0.601 21.040 1.00 0.00 O ATOM 876 CB LYS A 58 6.765 -2.930 20.272 1.00 0.00 C ATOM 877 CG LYS A 58 5.345 -2.506 20.604 1.00 0.00 C ATOM 878 CD LYS A 58 4.517 -3.677 21.106 1.00 0.00 C ATOM 879 CE LYS A 58 3.192 -3.213 21.691 1.00 0.00 C ATOM 880 NZ LYS A 58 3.325 -2.816 23.120 1.00 0.00 N ATOM 0 H LYS A 58 8.910 -3.493 19.199 1.00 0.00 H new ATOM 0 HA LYS A 58 6.865 -1.730 18.491 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.741 -3.912 19.799 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.330 -3.036 21.198 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.366 -1.723 21.362 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.875 -2.080 19.718 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.331 -4.370 20.286 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.079 -4.223 21.864 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.816 -2.369 21.113 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.456 -4.013 21.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.400 -2.506 23.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.660 -3.628 23.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.008 -2.036 23.201 1.00 0.00 H new ATOM 894 N PRO A 59 7.115 0.435 19.660 1.00 0.00 N ATOM 895 CA PRO A 59 7.274 1.758 20.272 1.00 0.00 C ATOM 896 C PRO A 59 6.666 1.826 21.669 1.00 0.00 C ATOM 897 O PRO A 59 5.931 0.931 22.081 1.00 0.00 O ATOM 898 CB PRO A 59 6.521 2.684 19.315 1.00 0.00 C ATOM 899 CG PRO A 59 5.518 1.807 18.649 1.00 0.00 C ATOM 900 CD PRO A 59 6.162 0.452 18.538 1.00 0.00 C ATOM 0 HA PRO A 59 8.323 2.023 20.405 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.038 3.500 19.852 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.196 3.136 18.588 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.598 1.755 19.230 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.252 2.195 17.666 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.428 -0.350 18.622 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.666 0.324 17.580 1.00 0.00 H new ATOM 908 N GLY A 60 6.979 2.897 22.393 1.00 0.00 N ATOM 909 CA GLY A 60 6.455 3.063 23.736 1.00 0.00 C ATOM 910 C GLY A 60 5.034 3.591 23.743 1.00 0.00 C ATOM 911 O GLY A 60 4.559 4.127 22.742 1.00 0.00 O ATOM 0 H GLY A 60 7.586 3.652 22.073 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.486 2.105 24.256 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.096 3.748 24.291 1.00 0.00 H new ATOM 915 N VAL A 61 4.353 3.439 24.874 1.00 0.00 N ATOM 916 CA VAL A 61 2.978 3.904 25.007 1.00 0.00 C ATOM 917 C VAL A 61 2.890 5.416 24.833 1.00 0.00 C ATOM 918 O VAL A 61 1.947 5.929 24.230 1.00 0.00 O ATOM 919 CB VAL A 61 2.385 3.521 26.376 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.735 2.147 26.311 1.00 0.00 C ATOM 921 CG2 VAL A 61 3.460 3.561 27.452 1.00 0.00 C ATOM 0 H VAL A 61 4.731 2.997 25.712 1.00 0.00 H new ATOM 0 HA VAL A 61 2.402 3.416 24.221 1.00 0.00 H new ATOM 0 HB VAL A 61 1.616 4.248 26.636 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.322 1.893 27.287 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.936 2.157 25.570 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.481 1.404 26.029 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.024 3.288 28.413 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.253 2.857 27.200 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.875 4.567 27.515 1.00 0.00 H new ATOM 931 N PHE A 62 3.880 6.126 25.366 1.00 0.00 N ATOM 932 CA PHE A 62 3.915 7.581 25.270 1.00 0.00 C ATOM 933 C PHE A 62 4.003 8.028 23.814 1.00 0.00 C ATOM 934 O PHE A 62 3.620 9.147 23.472 1.00 0.00 O ATOM 935 CB PHE A 62 5.102 8.136 26.059 1.00 0.00 C ATOM 936 CG PHE A 62 4.834 8.269 27.531 1.00 0.00 C ATOM 937 CD1 PHE A 62 4.094 7.309 28.203 1.00 0.00 C ATOM 938 CD2 PHE A 62 5.322 9.353 28.243 1.00 0.00 C ATOM 939 CE1 PHE A 62 3.846 7.428 29.558 1.00 0.00 C ATOM 940 CE2 PHE A 62 5.078 9.476 29.597 1.00 0.00 C ATOM 941 CZ PHE A 62 4.338 8.514 30.255 1.00 0.00 C ATOM 0 H PHE A 62 4.668 5.717 25.868 1.00 0.00 H new ATOM 0 HA PHE A 62 2.990 7.971 25.696 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.963 7.483 25.912 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.370 9.113 25.657 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.707 6.458 27.662 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.900 10.110 27.734 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.268 6.673 30.071 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.466 10.325 30.141 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.144 8.611 31.313 1.00 0.00 H new ATOM 951 N ASP A 63 4.512 7.146 22.960 1.00 0.00 N ATOM 952 CA ASP A 63 4.651 7.449 21.541 1.00 0.00 C ATOM 953 C ASP A 63 3.418 6.994 20.765 1.00 0.00 C ATOM 954 O ASP A 63 3.479 6.044 19.984 1.00 0.00 O ATOM 955 CB ASP A 63 5.902 6.776 20.974 1.00 0.00 C ATOM 956 CG ASP A 63 7.145 7.627 21.145 1.00 0.00 C ATOM 957 OD1 ASP A 63 7.209 8.392 22.130 1.00 0.00 O ATOM 958 OD2 ASP A 63 8.053 7.527 20.294 1.00 0.00 O ATOM 0 H ASP A 63 4.835 6.216 23.226 1.00 0.00 H new ATOM 0 HA ASP A 63 4.748 8.529 21.433 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.051 5.817 21.469 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.751 6.568 19.915 1.00 0.00 H new ATOM 963 N LEU A 64 2.301 7.678 20.986 1.00 0.00 N ATOM 964 CA LEU A 64 1.053 7.344 20.309 1.00 0.00 C ATOM 965 C LEU A 64 1.235 7.357 18.794 1.00 0.00 C ATOM 966 O LEU A 64 0.740 6.475 18.092 1.00 0.00 O ATOM 967 CB LEU A 64 -0.047 8.328 20.710 1.00 0.00 C ATOM 968 CG LEU A 64 -0.248 8.534 22.212 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.312 9.590 22.468 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.624 7.221 22.884 1.00 0.00 C ATOM 0 H LEU A 64 2.234 8.467 21.629 1.00 0.00 H new ATOM 0 HA LEU A 64 0.761 6.339 20.613 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.175 9.294 20.257 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.988 7.984 20.281 1.00 0.00 H new ATOM 0 HG LEU A 64 0.691 8.883 22.641 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.441 9.723 23.542 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.003 10.534 22.020 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.256 9.270 22.026 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.763 7.386 23.952 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.550 6.843 22.451 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.172 6.492 22.730 1.00 0.00 H new ATOM 982 N ILE A 65 1.949 8.361 18.298 1.00 0.00 N ATOM 983 CA ILE A 65 2.199 8.487 16.868 1.00 0.00 C ATOM 984 C ILE A 65 2.708 7.174 16.281 1.00 0.00 C ATOM 985 O ILE A 65 2.039 6.549 15.459 1.00 0.00 O ATOM 986 CB ILE A 65 3.222 9.599 16.570 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.813 10.898 17.267 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.350 9.814 15.070 1.00 0.00 C ATOM 989 CD1 ILE A 65 3.448 12.133 16.666 1.00 0.00 C ATOM 0 H ILE A 65 2.365 9.099 18.866 1.00 0.00 H new ATOM 0 HA ILE A 65 1.247 8.746 16.404 1.00 0.00 H new ATOM 0 HB ILE A 65 4.194 9.291 16.957 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.729 10.999 17.222 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.084 10.836 18.321 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.077 10.603 14.876 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.683 8.890 14.597 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.382 10.103 14.660 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.113 13.016 17.210 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.533 12.054 16.735 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.156 12.219 15.619 1.00 0.00 H new ATOM 1001 N ASN A 66 3.896 6.761 16.711 1.00 0.00 N ATOM 1002 CA ASN A 66 4.494 5.521 16.230 1.00 0.00 C ATOM 1003 C ASN A 66 3.602 4.326 16.553 1.00 0.00 C ATOM 1004 O ASN A 66 3.279 3.524 15.677 1.00 0.00 O ATOM 1005 CB ASN A 66 5.877 5.323 16.853 1.00 0.00 C ATOM 1006 CG ASN A 66 6.929 6.212 16.219 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.604 5.815 15.269 1.00 0.00 O ATOM 1008 ND2 ASN A 66 7.074 7.423 16.745 1.00 0.00 N ATOM 0 H ASN A 66 4.463 7.267 17.391 1.00 0.00 H new ATOM 0 HA ASN A 66 4.597 5.592 15.147 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.825 5.532 17.921 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.175 4.280 16.747 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.767 8.066 16.362 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.493 7.710 17.532 1.00 0.00 H new ATOM 1015 N LYS A 67 3.208 4.213 17.817 1.00 0.00 N ATOM 1016 CA LYS A 67 2.352 3.118 18.257 1.00 0.00 C ATOM 1017 C LYS A 67 1.182 2.922 17.298 1.00 0.00 C ATOM 1018 O LYS A 67 0.759 1.795 17.043 1.00 0.00 O ATOM 1019 CB LYS A 67 1.828 3.388 19.669 1.00 0.00 C ATOM 1020 CG LYS A 67 1.419 2.132 20.417 1.00 0.00 C ATOM 1021 CD LYS A 67 2.591 1.181 20.594 1.00 0.00 C ATOM 1022 CE LYS A 67 2.307 0.139 21.665 1.00 0.00 C ATOM 1023 NZ LYS A 67 1.130 -0.705 21.319 1.00 0.00 N ATOM 0 H LYS A 67 3.468 4.867 18.555 1.00 0.00 H new ATOM 0 HA LYS A 67 2.948 2.206 18.266 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.598 3.906 20.240 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.971 4.059 19.607 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.019 2.403 21.394 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.619 1.628 19.874 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.803 0.683 19.648 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.483 1.747 20.863 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.183 -0.496 21.796 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.129 0.637 22.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.040 -1.476 22.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.268 -0.123 21.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.258 -1.107 20.368 1.00 0.00 H new ATOM 1037 N ALA A 68 0.665 4.026 16.769 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.453 3.975 15.835 1.00 0.00 C ATOM 1039 C ALA A 68 -0.065 3.246 14.553 1.00 0.00 C ATOM 1040 O ALA A 68 -0.821 2.419 14.044 1.00 0.00 O ATOM 1041 CB ALA A 68 -0.941 5.381 15.519 1.00 0.00 C ATOM 0 H ALA A 68 1.003 4.967 16.971 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.263 3.419 16.306 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.776 5.328 14.820 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.267 5.868 16.438 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.130 5.956 15.072 1.00 0.00 H new ATOM 1047 N LYS A 69 1.118 3.560 14.035 1.00 0.00 N ATOM 1048 CA LYS A 69 1.608 2.935 12.812 1.00 0.00 C ATOM 1049 C LYS A 69 2.019 1.488 13.067 1.00 0.00 C ATOM 1050 O LYS A 69 1.612 0.580 12.342 1.00 0.00 O ATOM 1051 CB LYS A 69 2.795 3.722 12.252 1.00 0.00 C ATOM 1052 CG LYS A 69 2.394 4.808 11.269 1.00 0.00 C ATOM 1053 CD LYS A 69 1.981 6.083 11.983 1.00 0.00 C ATOM 1054 CE LYS A 69 1.666 7.198 10.997 1.00 0.00 C ATOM 1055 NZ LYS A 69 0.503 6.859 10.131 1.00 0.00 N ATOM 0 H LYS A 69 1.755 4.244 14.443 1.00 0.00 H new ATOM 0 HA LYS A 69 0.799 2.941 12.082 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.342 4.175 13.078 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.478 3.031 11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.228 5.019 10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.570 4.453 10.650 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.106 5.887 12.603 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.781 6.402 12.651 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.456 8.118 11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.540 7.389 10.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.464 7.519 9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.607 5.887 9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.375 6.934 10.684 1.00 0.00 H new ATOM 1069 N TRP A 70 2.825 1.281 14.102 1.00 0.00 N ATOM 1070 CA TRP A 70 3.289 -0.057 14.453 1.00 0.00 C ATOM 1071 C TRP A 70 2.161 -1.075 14.328 1.00 0.00 C ATOM 1072 O TRP A 70 2.333 -2.134 13.724 1.00 0.00 O ATOM 1073 CB TRP A 70 3.846 -0.067 15.878 1.00 0.00 C ATOM 1074 CG TRP A 70 4.758 -1.225 16.150 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.074 -1.332 15.800 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.422 -2.441 16.827 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.576 -2.541 16.219 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.582 -3.239 16.853 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.254 -2.932 17.417 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.605 -4.500 17.443 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.278 -4.183 18.002 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.447 -4.955 18.013 1.00 0.00 C ATOM 0 H TRP A 70 3.171 2.021 14.713 1.00 0.00 H new ATOM 0 HA TRP A 70 4.081 -0.334 13.758 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.387 0.862 16.056 1.00 0.00 H new ATOM 0 HB3 TRP A 70 3.017 -0.093 16.585 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.637 -0.577 15.272 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.533 -2.866 16.080 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.348 -2.343 17.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.505 -5.098 17.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.380 -4.573 18.459 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.434 -5.928 18.481 1.00 0.00 H new ATOM 1093 N ASP A 71 1.008 -0.748 14.901 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.149 -1.634 14.851 1.00 0.00 C ATOM 1095 C ASP A 71 -0.685 -1.749 13.428 1.00 0.00 C ATOM 1096 O ASP A 71 -1.280 -2.760 13.058 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.248 -1.125 15.784 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.018 -1.533 17.227 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -0.752 -2.728 17.471 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -1.103 -0.655 18.111 1.00 0.00 O ATOM 0 H ASP A 71 0.850 0.124 15.406 1.00 0.00 H new ATOM 0 HA ASP A 71 0.168 -2.623 15.181 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.300 -0.038 15.721 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.211 -1.510 15.450 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.470 -0.705 12.634 1.00 0.00 N ATOM 1106 CA ALA A 72 -0.931 -0.689 11.251 1.00 0.00 C ATOM 1107 C ALA A 72 -0.056 -1.575 10.371 1.00 0.00 C ATOM 1108 O ALA A 72 -0.560 -2.411 9.621 1.00 0.00 O ATOM 1109 CB ALA A 72 -0.949 0.736 10.718 1.00 0.00 C ATOM 0 H ALA A 72 0.021 0.141 12.925 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.945 -1.087 11.227 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.295 0.734 9.684 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.621 1.343 11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.057 1.154 10.763 1.00 0.00 H new ATOM 1115 N TRP A 73 1.255 -1.385 10.467 1.00 0.00 N ATOM 1116 CA TRP A 73 2.200 -2.167 9.677 1.00 0.00 C ATOM 1117 C TRP A 73 2.322 -3.586 10.224 1.00 0.00 C ATOM 1118 O TRP A 73 2.589 -4.527 9.478 1.00 0.00 O ATOM 1119 CB TRP A 73 3.571 -1.491 9.668 1.00 0.00 C ATOM 1120 CG TRP A 73 4.572 -2.187 8.796 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.311 -3.123 7.836 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.992 -2.005 8.806 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.484 -3.533 7.248 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.529 -2.861 7.825 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.862 -1.200 9.547 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.895 -2.935 7.569 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.218 -1.274 9.292 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.724 -2.136 8.309 1.00 0.00 C ATOM 0 H TRP A 73 1.688 -0.697 11.083 1.00 0.00 H new ATOM 0 HA TRP A 73 1.824 -2.222 8.655 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.458 -0.461 9.328 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.954 -1.450 10.688 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.328 -3.487 7.577 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.563 -4.225 6.503 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.481 -0.532 10.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.287 -3.599 6.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.899 -0.657 9.859 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.789 -2.170 8.132 1.00 0.00 H new ATOM 1139 N ASN A 74 2.125 -3.731 11.530 1.00 0.00 N ATOM 1140 CA ASN A 74 2.214 -5.036 12.176 1.00 0.00 C ATOM 1141 C ASN A 74 1.044 -5.926 11.767 1.00 0.00 C ATOM 1142 O ASN A 74 1.231 -7.087 11.406 1.00 0.00 O ATOM 1143 CB ASN A 74 2.240 -4.874 13.697 1.00 0.00 C ATOM 1144 CG ASN A 74 2.111 -6.200 14.421 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.551 -7.237 13.924 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.506 -6.172 15.603 1.00 0.00 N ATOM 0 H ASN A 74 1.903 -2.962 12.162 1.00 0.00 H new ATOM 0 HA ASN A 74 3.140 -5.512 11.853 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.171 -4.391 13.992 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.428 -4.215 14.004 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.391 -7.033 16.137 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.157 -5.289 15.976 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.162 -5.372 11.828 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.363 -6.113 11.462 1.00 0.00 C ATOM 1155 C ALA A 75 -1.132 -6.946 10.205 1.00 0.00 C ATOM 1156 O ALA A 75 -1.723 -8.014 10.038 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.531 -5.160 11.258 1.00 0.00 C ATOM 0 H ALA A 75 -0.334 -4.412 12.128 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.603 -6.793 12.279 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.421 -5.728 10.985 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.719 -4.612 12.181 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.291 -4.456 10.461 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.270 -6.452 9.324 1.00 0.00 N ATOM 1164 CA LEU A 76 0.039 -7.150 8.081 1.00 0.00 C ATOM 1165 C LEU A 76 0.656 -8.516 8.363 1.00 0.00 C ATOM 1166 O LEU A 76 0.186 -9.537 7.860 1.00 0.00 O ATOM 1167 CB LEU A 76 0.992 -6.314 7.226 1.00 0.00 C ATOM 1168 CG LEU A 76 0.353 -5.185 6.417 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.250 -5.726 5.130 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.704 -4.468 7.244 1.00 0.00 C ATOM 0 H LEU A 76 0.228 -5.570 9.447 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.893 -7.298 7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.750 -5.882 7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.509 -6.981 6.536 1.00 0.00 H new ATOM 0 HG LEU A 76 1.130 -4.466 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.700 -4.908 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.531 -6.192 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.014 -6.466 5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.148 -3.668 6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.479 -5.176 7.536 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.243 -4.046 8.137 1.00 0.00 H new ATOM 1182 N GLY A 77 1.710 -8.528 9.173 1.00 0.00 N ATOM 1183 CA GLY A 77 2.373 -9.775 9.509 1.00 0.00 C ATOM 1184 C GLY A 77 3.337 -10.229 8.431 1.00 0.00 C ATOM 1185 O GLY A 77 4.180 -9.455 7.978 1.00 0.00 O ATOM 0 H GLY A 77 2.117 -7.697 9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.914 -9.654 10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.623 -10.549 9.671 1.00 0.00 H new ATOM 1189 N SER A 78 3.213 -11.487 8.020 1.00 0.00 N ATOM 1190 CA SER A 78 4.084 -12.044 6.993 1.00 0.00 C ATOM 1191 C SER A 78 3.539 -11.747 5.599 1.00 0.00 C ATOM 1192 O SER A 78 3.885 -12.421 4.627 1.00 0.00 O ATOM 1193 CB SER A 78 4.231 -13.555 7.183 1.00 0.00 C ATOM 1194 OG SER A 78 5.173 -13.851 8.201 1.00 0.00 O ATOM 0 H SER A 78 2.518 -12.139 8.383 1.00 0.00 H new ATOM 0 HA SER A 78 5.063 -11.576 7.089 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.264 -13.988 7.440 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.547 -14.014 6.246 1.00 0.00 H new ATOM 0 HG SER A 78 5.248 -14.823 8.305 1.00 0.00 H new ATOM 1200 N LEU A 79 2.684 -10.734 5.509 1.00 0.00 N ATOM 1201 CA LEU A 79 2.090 -10.346 4.234 1.00 0.00 C ATOM 1202 C LEU A 79 3.169 -10.060 3.195 1.00 0.00 C ATOM 1203 O LEU A 79 4.040 -9.212 3.385 1.00 0.00 O ATOM 1204 CB LEU A 79 1.203 -9.113 4.417 1.00 0.00 C ATOM 1205 CG LEU A 79 0.206 -8.831 3.293 1.00 0.00 C ATOM 1206 CD1 LEU A 79 0.937 -8.547 1.990 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.753 -10.001 3.125 1.00 0.00 C ATOM 0 H LEU A 79 2.387 -10.167 6.303 1.00 0.00 H new ATOM 0 HA LEU A 79 1.480 -11.176 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.648 -9.224 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.847 -8.241 4.532 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.374 -7.947 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.211 -8.349 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.582 -7.677 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.543 -9.411 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.456 -9.783 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.189 -10.901 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.302 -10.158 4.054 1.00 0.00 H new ATOM 1219 N PRO A 80 3.110 -10.784 2.066 1.00 0.00 N ATOM 1220 CA PRO A 80 4.073 -10.624 0.973 1.00 0.00 C ATOM 1221 C PRO A 80 3.909 -9.294 0.245 1.00 0.00 C ATOM 1222 O PRO A 80 2.816 -8.728 0.203 1.00 0.00 O ATOM 1223 CB PRO A 80 3.744 -11.790 0.037 1.00 0.00 C ATOM 1224 CG PRO A 80 2.314 -12.104 0.312 1.00 0.00 C ATOM 1225 CD PRO A 80 2.099 -11.813 1.771 1.00 0.00 C ATOM 0 HA PRO A 80 5.102 -10.625 1.333 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.895 -11.515 -1.007 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.384 -12.650 0.236 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.655 -11.497 -0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.093 -13.147 0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.089 -11.451 1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.241 -12.703 2.384 1.00 0.00 H new ATOM 1233 N LYS A 81 5.001 -8.799 -0.328 1.00 0.00 N ATOM 1234 CA LYS A 81 4.978 -7.536 -1.056 1.00 0.00 C ATOM 1235 C LYS A 81 3.957 -7.580 -2.189 1.00 0.00 C ATOM 1236 O LYS A 81 3.145 -6.668 -2.340 1.00 0.00 O ATOM 1237 CB LYS A 81 6.366 -7.223 -1.618 1.00 0.00 C ATOM 1238 CG LYS A 81 7.493 -7.472 -0.630 1.00 0.00 C ATOM 1239 CD LYS A 81 8.668 -6.542 -0.878 1.00 0.00 C ATOM 1240 CE LYS A 81 9.718 -6.666 0.215 1.00 0.00 C ATOM 1241 NZ LYS A 81 10.729 -7.713 -0.103 1.00 0.00 N ATOM 0 H LYS A 81 5.914 -9.254 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 81 4.689 -6.749 -0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.534 -7.830 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.394 -6.180 -1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.125 -7.331 0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.825 -8.507 -0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.118 -6.772 -1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.314 -5.512 -0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.218 -5.707 0.349 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.232 -6.906 1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.427 -7.767 0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.255 -8.633 -0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.211 -7.471 -0.992 1.00 0.00 H new ATOM 1255 N GLU A 82 4.004 -8.646 -2.981 1.00 0.00 N ATOM 1256 CA GLU A 82 3.083 -8.808 -4.100 1.00 0.00 C ATOM 1257 C GLU A 82 1.654 -8.472 -3.681 1.00 0.00 C ATOM 1258 O GLU A 82 0.916 -7.822 -4.420 1.00 0.00 O ATOM 1259 CB GLU A 82 3.145 -10.238 -4.638 1.00 0.00 C ATOM 1260 CG GLU A 82 2.438 -11.252 -3.755 1.00 0.00 C ATOM 1261 CD GLU A 82 2.396 -12.636 -4.374 1.00 0.00 C ATOM 1262 OE1 GLU A 82 1.451 -12.915 -5.141 1.00 0.00 O ATOM 1263 OE2 GLU A 82 3.309 -13.440 -4.090 1.00 0.00 O ATOM 0 H GLU A 82 4.670 -9.410 -2.869 1.00 0.00 H new ATOM 0 HA GLU A 82 3.385 -8.118 -4.888 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.700 -10.262 -5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.189 -10.531 -4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.944 -11.304 -2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.420 -10.913 -3.562 1.00 0.00 H new ATOM 1270 N ALA A 83 1.273 -8.920 -2.489 1.00 0.00 N ATOM 1271 CA ALA A 83 -0.065 -8.667 -1.970 1.00 0.00 C ATOM 1272 C ALA A 83 -0.149 -7.292 -1.316 1.00 0.00 C ATOM 1273 O ALA A 83 -1.155 -6.594 -1.442 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.461 -9.750 -0.978 1.00 0.00 C ATOM 0 H ALA A 83 1.872 -9.460 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.762 -8.686 -2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.463 -9.548 -0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.450 -10.720 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.246 -9.760 -0.148 1.00 0.00 H new ATOM 1280 N ALA A 84 0.914 -6.909 -0.616 1.00 0.00 N ATOM 1281 CA ALA A 84 0.960 -5.617 0.057 1.00 0.00 C ATOM 1282 C ALA A 84 0.657 -4.481 -0.915 1.00 0.00 C ATOM 1283 O ALA A 84 -0.131 -3.585 -0.611 1.00 0.00 O ATOM 1284 CB ALA A 84 2.320 -5.409 0.708 1.00 0.00 C ATOM 0 H ALA A 84 1.755 -7.475 -0.500 1.00 0.00 H new ATOM 0 HA ALA A 84 0.194 -5.611 0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.340 -4.440 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.498 -6.198 1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.097 -5.440 -0.055 1.00 0.00 H new ATOM 1290 N ARG A 85 1.289 -4.523 -2.083 1.00 0.00 N ATOM 1291 CA ARG A 85 1.088 -3.496 -3.098 1.00 0.00 C ATOM 1292 C ARG A 85 -0.364 -3.468 -3.563 1.00 0.00 C ATOM 1293 O ARG A 85 -0.920 -2.403 -3.831 1.00 0.00 O ATOM 1294 CB ARG A 85 2.013 -3.741 -4.292 1.00 0.00 C ATOM 1295 CG ARG A 85 3.467 -3.393 -4.018 1.00 0.00 C ATOM 1296 CD ARG A 85 4.283 -3.360 -5.301 1.00 0.00 C ATOM 1297 NE ARG A 85 4.706 -4.695 -5.715 1.00 0.00 N ATOM 1298 CZ ARG A 85 5.765 -5.319 -5.214 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.505 -4.733 -4.283 1.00 0.00 N ATOM 1300 NH2 ARG A 85 6.086 -6.533 -5.643 1.00 0.00 N ATOM 0 H ARG A 85 1.945 -5.257 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 85 1.328 -2.530 -2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.948 -4.790 -4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.661 -3.153 -5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.523 -2.423 -3.525 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.894 -4.125 -3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.691 -2.905 -6.095 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.161 -2.730 -5.156 1.00 0.00 H new ATOM 0 HE ARG A 85 4.157 -5.175 -6.429 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.261 -3.800 -3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.318 -5.215 -3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.519 -6.988 -6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.900 -7.012 -5.257 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.973 -4.646 -3.658 1.00 0.00 N ATOM 1315 CA GLN A 86 -2.360 -4.756 -4.093 1.00 0.00 C ATOM 1316 C GLN A 86 -3.302 -4.133 -3.068 1.00 0.00 C ATOM 1317 O GLN A 86 -4.291 -3.495 -3.428 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.732 -6.223 -4.318 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.821 -6.422 -5.360 1.00 0.00 C ATOM 1320 CD GLN A 86 -5.042 -5.562 -5.099 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -5.719 -5.718 -4.082 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -5.330 -4.648 -6.017 1.00 0.00 N ATOM 0 H GLN A 86 -0.527 -5.537 -3.440 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.464 -4.214 -5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.842 -6.772 -4.626 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -3.062 -6.655 -3.373 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.421 -6.189 -6.347 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.117 -7.471 -5.375 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.741 -4.553 -6.845 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.140 -4.040 -5.895 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.988 -4.321 -1.791 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.808 -3.778 -0.714 1.00 0.00 C ATOM 1333 C ASN A 87 -3.765 -2.253 -0.714 1.00 0.00 C ATOM 1334 O ASN A 87 -4.763 -1.593 -0.423 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.330 -4.312 0.638 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.907 -5.678 0.956 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -5.076 -5.801 1.321 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -3.086 -6.713 0.819 1.00 0.00 N ATOM 0 H ASN A 87 -2.172 -4.845 -1.476 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.838 -4.095 -0.879 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.242 -4.371 0.638 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.611 -3.610 1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.417 -7.657 1.019 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.124 -6.564 0.514 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.603 -1.699 -1.043 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.429 -0.252 -1.080 1.00 0.00 C ATOM 1347 C TYR A 88 -3.254 0.367 -2.204 1.00 0.00 C ATOM 1348 O TYR A 88 -4.121 1.207 -1.964 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.952 0.101 -1.262 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.658 1.576 -1.108 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.155 2.502 -2.017 1.00 0.00 C ATOM 1352 CD2 TYR A 88 0.116 2.043 -0.053 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.888 3.850 -1.880 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.387 3.390 0.092 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.117 4.290 -0.824 1.00 0.00 C ATOM 1356 OH TYR A 88 0.150 5.632 -0.684 1.00 0.00 O ATOM 0 H TYR A 88 -1.768 -2.230 -1.288 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.778 0.155 -0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.362 -0.456 -0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.629 -0.224 -2.251 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.760 2.162 -2.844 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.513 1.341 0.666 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.281 4.556 -2.596 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.990 3.737 0.918 1.00 0.00 H new ATOM 0 HH TYR A 88 0.705 5.774 0.111 1.00 0.00 H new ATOM 1366 N VAL A 89 -2.976 -0.054 -3.434 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.693 0.457 -4.597 1.00 0.00 C ATOM 1368 C VAL A 89 -5.190 0.199 -4.477 1.00 0.00 C ATOM 1369 O VAL A 89 -6.006 1.081 -4.745 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.176 -0.182 -5.900 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.786 0.337 -6.234 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.174 -1.699 -5.785 1.00 0.00 C ATOM 0 H VAL A 89 -2.260 -0.747 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.514 1.532 -4.632 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.847 0.097 -6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.437 -0.125 -7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.822 1.419 -6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.101 0.090 -5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.806 -2.134 -6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.526 -2.001 -4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.188 -2.051 -5.596 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.545 -1.016 -4.072 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.946 -1.391 -3.915 1.00 0.00 C ATOM 1384 C ASP A 90 -7.703 -0.338 -3.112 1.00 0.00 C ATOM 1385 O ASP A 90 -8.891 -0.104 -3.338 1.00 0.00 O ATOM 1386 CB ASP A 90 -7.057 -2.752 -3.227 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.368 -2.920 -2.484 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -8.579 -2.201 -1.484 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -9.182 -3.770 -2.900 1.00 0.00 O ATOM 0 H ASP A 90 -4.882 -1.758 -3.847 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.393 -1.456 -4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.961 -3.542 -3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.229 -2.871 -2.528 1.00 0.00 H new ATOM 1394 N LEU A 91 -7.008 0.295 -2.172 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.615 1.323 -1.334 1.00 0.00 C ATOM 1396 C LEU A 91 -7.768 2.632 -2.102 1.00 0.00 C ATOM 1397 O LEU A 91 -8.879 3.123 -2.299 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.770 1.550 -0.079 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.301 2.590 0.908 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.226 3.985 0.306 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.729 2.259 1.315 1.00 0.00 C ATOM 0 H LEU A 91 -6.024 0.114 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.606 0.978 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.670 0.599 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.769 1.850 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.676 2.568 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.608 4.712 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.190 4.222 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.826 4.022 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.090 3.010 2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.367 2.252 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.754 1.277 1.788 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.643 3.192 -2.536 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.651 4.442 -3.286 1.00 0.00 C ATOM 1415 C VAL A 92 -7.758 4.448 -4.333 1.00 0.00 C ATOM 1416 O VAL A 92 -8.374 5.481 -4.595 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.299 4.688 -3.982 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.310 6.021 -4.715 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.163 4.635 -2.972 1.00 0.00 C ATOM 0 H VAL A 92 -5.714 2.799 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.831 5.241 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.139 3.898 -4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.347 6.177 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.099 6.016 -5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.492 6.826 -4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.215 4.811 -3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.315 5.402 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.143 3.654 -2.498 1.00 0.00 H new ATOM 1429 N SER A 93 -8.007 3.286 -4.930 1.00 0.00 N ATOM 1430 CA SER A 93 -9.039 3.157 -5.952 1.00 0.00 C ATOM 1431 C SER A 93 -10.430 3.271 -5.337 1.00 0.00 C ATOM 1432 O SER A 93 -11.355 3.792 -5.960 1.00 0.00 O ATOM 1433 CB SER A 93 -8.899 1.819 -6.682 1.00 0.00 C ATOM 1434 OG SER A 93 -9.827 1.721 -7.748 1.00 0.00 O ATOM 0 H SER A 93 -7.508 2.421 -4.723 1.00 0.00 H new ATOM 0 HA SER A 93 -8.910 3.969 -6.668 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.885 1.716 -7.068 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.058 1.000 -5.981 1.00 0.00 H new ATOM 0 HG SER A 93 -9.717 0.858 -8.200 1.00 0.00 H new ATOM 1440 N SER A 94 -10.570 2.780 -4.110 1.00 0.00 N ATOM 1441 CA SER A 94 -11.849 2.823 -3.410 1.00 0.00 C ATOM 1442 C SER A 94 -12.316 4.263 -3.219 1.00 0.00 C ATOM 1443 O SER A 94 -13.500 4.568 -3.366 1.00 0.00 O ATOM 1444 CB SER A 94 -11.735 2.127 -2.052 1.00 0.00 C ATOM 1445 OG SER A 94 -12.867 2.398 -1.244 1.00 0.00 O ATOM 0 H SER A 94 -9.814 2.348 -3.580 1.00 0.00 H new ATOM 0 HA SER A 94 -12.586 2.298 -4.018 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.638 1.051 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.832 2.463 -1.542 1.00 0.00 H new ATOM 0 HG SER A 94 -12.771 1.941 -0.382 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.377 5.144 -2.891 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.691 6.552 -2.680 1.00 0.00 C ATOM 1453 C LEU A 95 -12.167 7.205 -3.974 1.00 0.00 C ATOM 1454 O LEU A 95 -13.148 7.948 -3.981 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.465 7.293 -2.143 1.00 0.00 C ATOM 1456 CG LEU A 95 -9.963 6.852 -0.768 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.547 7.353 -0.530 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.897 7.349 0.326 1.00 0.00 C ATOM 0 H LEU A 95 -10.393 4.908 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.496 6.613 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.652 7.175 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.699 8.357 -2.098 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.950 5.762 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.207 7.029 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.884 6.948 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.533 8.442 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.524 7.026 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.942 8.438 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.895 6.940 0.166 1.00 0.00 H new