USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=15 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 58 LYS NZ :NH3+ 177:sc= -1.29! (180deg=-1.31!) USER MOD Set 1.2: A 67 LYS NZ :NH3+ 168:sc= -0.128 (180deg=-0.274) USER MOD Single : A 22 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.51) USER MOD Single : A 23 SER OG : rot 80:sc= -0.511 USER MOD Single : A 24 MET CE :methyl 166:sc= 0 (180deg=-0.394) USER MOD Single : A 25 ASN : amide:sc=-0.00707 K(o=-0.0071,f=-1.2) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= -0.316 (180deg=-1.25!) USER MOD Single : A 41 LYS NZ :NH3+ -131:sc= -1.39 (180deg=-3.74!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -3.5! C(o=-3.5!,f=-7.4!) USER MOD Single : A 50 THR OG1 : rot -86:sc= 1.15 USER MOD Single : A 54 CYS SG : rot 131:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.7!) USER MOD Single : A 56 MET CE :methyl -141:sc= -1.17 (180deg=-4.66!) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.354 K(o=-0.35,f=-1.3) 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= 0 X(o=0,f=-0.0027) USER MOD Single : A 87 ASN : amide:sc= -0.565 X(o=-0.57,f=-0.32) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.924 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 1.467 0.928 -11.239 1.00 0.00 N ATOM 247 CA ASP A 19 0.122 1.147 -10.717 1.00 0.00 C ATOM 248 C ASP A 19 0.174 1.721 -9.305 1.00 0.00 C ATOM 249 O ASP A 19 -0.642 2.566 -8.937 1.00 0.00 O ATOM 250 CB ASP A 19 -0.668 -0.163 -10.721 1.00 0.00 C ATOM 251 CG ASP A 19 -1.225 -0.500 -12.090 1.00 0.00 C ATOM 252 OD1 ASP A 19 -0.433 -0.561 -13.054 1.00 0.00 O ATOM 253 OD2 ASP A 19 -2.452 -0.703 -12.197 1.00 0.00 O ATOM 0 HA ASP A 19 -0.380 1.867 -11.363 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.022 -0.974 -10.385 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.488 -0.092 -10.006 1.00 0.00 H new ATOM 258 N PHE A 20 1.137 1.254 -8.517 1.00 0.00 N ATOM 259 CA PHE A 20 1.294 1.720 -7.144 1.00 0.00 C ATOM 260 C PHE A 20 1.602 3.214 -7.108 1.00 0.00 C ATOM 261 O PHE A 20 0.886 3.989 -6.475 1.00 0.00 O ATOM 262 CB PHE A 20 2.409 0.941 -6.443 1.00 0.00 C ATOM 263 CG PHE A 20 2.618 1.348 -5.013 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.388 2.456 -4.699 1.00 0.00 C ATOM 265 CD2 PHE A 20 2.043 0.622 -3.982 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.581 2.834 -3.384 1.00 0.00 C ATOM 267 CE2 PHE A 20 2.233 0.995 -2.664 1.00 0.00 C ATOM 268 CZ PHE A 20 3.004 2.102 -2.365 1.00 0.00 C ATOM 0 H PHE A 20 1.820 0.554 -8.806 1.00 0.00 H new ATOM 0 HA PHE A 20 0.354 1.548 -6.619 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.176 -0.123 -6.479 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.340 1.082 -6.992 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.843 3.031 -5.492 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.440 -0.244 -4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.182 3.701 -3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.779 0.422 -1.869 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.155 2.394 -1.336 1.00 0.00 H new ATOM 278 N GLU A 21 2.672 3.608 -7.791 1.00 0.00 N ATOM 279 CA GLU A 21 3.075 5.009 -7.836 1.00 0.00 C ATOM 280 C GLU A 21 1.889 5.906 -8.180 1.00 0.00 C ATOM 281 O GLU A 21 1.846 7.072 -7.791 1.00 0.00 O ATOM 282 CB GLU A 21 4.193 5.208 -8.860 1.00 0.00 C ATOM 283 CG GLU A 21 5.586 5.001 -8.289 1.00 0.00 C ATOM 284 CD GLU A 21 6.678 5.224 -9.318 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.601 6.228 -10.057 1.00 0.00 O ATOM 286 OE2 GLU A 21 7.609 4.395 -9.384 1.00 0.00 O ATOM 0 H GLU A 21 3.275 2.978 -8.320 1.00 0.00 H new ATOM 0 HA GLU A 21 3.443 5.286 -6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.043 4.516 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.124 6.216 -9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.736 5.683 -7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.666 3.988 -7.894 1.00 0.00 H new ATOM 293 N ASN A 22 0.929 5.351 -8.913 1.00 0.00 N ATOM 294 CA ASN A 22 -0.258 6.101 -9.311 1.00 0.00 C ATOM 295 C ASN A 22 -1.235 6.231 -8.147 1.00 0.00 C ATOM 296 O ASN A 22 -1.757 7.313 -7.879 1.00 0.00 O ATOM 297 CB ASN A 22 -0.945 5.416 -10.494 1.00 0.00 C ATOM 298 CG ASN A 22 -0.196 5.624 -11.797 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.255 6.729 -12.096 1.00 0.00 O ATOM 300 ND2 ASN A 22 -0.062 4.559 -12.578 1.00 0.00 N ATOM 0 H ASN A 22 0.949 4.386 -9.243 1.00 0.00 H new ATOM 0 HA ASN A 22 0.057 7.101 -9.611 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.029 4.348 -10.293 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.959 5.802 -10.595 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.432 4.637 -13.467 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.453 3.662 -12.289 1.00 0.00 H new ATOM 307 N SER A 23 -1.477 5.121 -7.457 1.00 0.00 N ATOM 308 CA SER A 23 -2.394 5.109 -6.323 1.00 0.00 C ATOM 309 C SER A 23 -1.910 6.050 -5.224 1.00 0.00 C ATOM 310 O SER A 23 -2.649 6.922 -4.768 1.00 0.00 O ATOM 311 CB SER A 23 -2.537 3.690 -5.770 1.00 0.00 C ATOM 312 OG SER A 23 -3.578 2.989 -6.427 1.00 0.00 O ATOM 0 H SER A 23 -1.051 4.218 -7.664 1.00 0.00 H new ATOM 0 HA SER A 23 -3.368 5.455 -6.671 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.597 3.152 -5.894 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.742 3.732 -4.700 1.00 0.00 H new ATOM 0 HG SER A 23 -3.254 2.656 -7.290 1.00 0.00 H new ATOM 318 N MET A 24 -0.663 5.865 -4.802 1.00 0.00 N ATOM 319 CA MET A 24 -0.079 6.697 -3.757 1.00 0.00 C ATOM 320 C MET A 24 -0.207 8.177 -4.104 1.00 0.00 C ATOM 321 O MET A 24 -0.425 9.013 -3.229 1.00 0.00 O ATOM 322 CB MET A 24 1.394 6.336 -3.551 1.00 0.00 C ATOM 323 CG MET A 24 2.198 6.304 -4.840 1.00 0.00 C ATOM 324 SD MET A 24 3.927 6.749 -4.591 1.00 0.00 S ATOM 325 CE MET A 24 4.125 8.040 -5.816 1.00 0.00 C ATOM 0 H MET A 24 -0.038 5.147 -5.168 1.00 0.00 H new ATOM 0 HA MET A 24 -0.625 6.510 -2.832 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.844 7.058 -2.869 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.456 5.360 -3.069 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.143 5.305 -5.273 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.751 6.989 -5.560 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.050 8.584 -5.625 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.165 7.595 -6.810 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.281 8.728 -5.760 1.00 0.00 H new ATOM 335 N ASN A 25 -0.071 8.492 -5.388 1.00 0.00 N ATOM 336 CA ASN A 25 -0.171 9.872 -5.851 1.00 0.00 C ATOM 337 C ASN A 25 -1.564 10.434 -5.586 1.00 0.00 C ATOM 338 O ASN A 25 -1.709 11.528 -5.040 1.00 0.00 O ATOM 339 CB ASN A 25 0.149 9.955 -7.345 1.00 0.00 C ATOM 340 CG ASN A 25 0.334 11.384 -7.818 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.607 12.282 -7.022 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.184 11.600 -9.119 1.00 0.00 N ATOM 0 H ASN A 25 0.109 7.811 -6.126 1.00 0.00 H new ATOM 0 HA ASN A 25 0.554 10.469 -5.297 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.056 9.386 -7.552 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.656 9.489 -7.913 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.295 12.541 -9.496 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.042 10.825 -9.742 1.00 0.00 H new ATOM 349 N GLN A 26 -2.586 9.679 -5.977 1.00 0.00 N ATOM 350 CA GLN A 26 -3.967 10.103 -5.782 1.00 0.00 C ATOM 351 C GLN A 26 -4.217 10.492 -4.328 1.00 0.00 C ATOM 352 O GLN A 26 -4.867 11.499 -4.048 1.00 0.00 O ATOM 353 CB GLN A 26 -4.929 8.987 -6.195 1.00 0.00 C ATOM 354 CG GLN A 26 -4.824 8.607 -7.664 1.00 0.00 C ATOM 355 CD GLN A 26 -5.897 7.625 -8.090 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.616 6.457 -8.357 1.00 0.00 O ATOM 357 NE2 GLN A 26 -7.137 8.096 -8.157 1.00 0.00 N ATOM 0 H GLN A 26 -2.483 8.771 -6.430 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.144 10.977 -6.409 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.733 8.105 -5.585 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.951 9.301 -5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.897 9.507 -8.274 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.843 8.172 -7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.325 9.072 -7.927 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.901 7.482 -8.439 1.00 0.00 H new ATOM 366 N VAL A 27 -3.696 9.687 -3.407 1.00 0.00 N ATOM 367 CA VAL A 27 -3.862 9.948 -1.982 1.00 0.00 C ATOM 368 C VAL A 27 -3.257 11.293 -1.596 1.00 0.00 C ATOM 369 O VAL A 27 -3.762 11.982 -0.709 1.00 0.00 O ATOM 370 CB VAL A 27 -3.213 8.842 -1.130 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.497 9.070 0.347 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.706 7.472 -1.571 1.00 0.00 C ATOM 0 H VAL A 27 -3.156 8.849 -3.622 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.934 9.965 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.134 8.879 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.031 8.279 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.091 10.035 0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.574 9.060 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.237 6.702 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.788 7.420 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.446 7.311 -2.617 1.00 0.00 H new ATOM 382 N LYS A 28 -2.172 11.663 -2.268 1.00 0.00 N ATOM 383 CA LYS A 28 -1.497 12.926 -1.998 1.00 0.00 C ATOM 384 C LYS A 28 -2.196 14.080 -2.710 1.00 0.00 C ATOM 385 O LYS A 28 -1.952 15.249 -2.408 1.00 0.00 O ATOM 386 CB LYS A 28 -0.034 12.852 -2.440 1.00 0.00 C ATOM 387 CG LYS A 28 0.722 11.678 -1.843 1.00 0.00 C ATOM 388 CD LYS A 28 2.087 11.508 -2.488 1.00 0.00 C ATOM 389 CE LYS A 28 2.719 10.176 -2.114 1.00 0.00 C ATOM 390 NZ LYS A 28 4.199 10.197 -2.280 1.00 0.00 N ATOM 0 H LYS A 28 -1.741 11.105 -3.005 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.537 13.107 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.006 12.784 -3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.469 13.778 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.842 11.829 -0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.141 10.765 -1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.989 11.574 -3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.741 12.322 -2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.473 9.935 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.295 9.386 -2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.591 9.271 -2.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.434 10.401 -3.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.606 10.933 -1.669 1.00 0.00 H new ATOM 519 N ASN A 36 -7.250 9.674 10.374 1.00 0.00 N ATOM 520 CA ASN A 36 -6.039 8.945 10.731 1.00 0.00 C ATOM 521 C ASN A 36 -6.231 7.443 10.540 1.00 0.00 C ATOM 522 O ASN A 36 -5.263 6.684 10.503 1.00 0.00 O ATOM 523 CB ASN A 36 -5.649 9.240 12.180 1.00 0.00 C ATOM 524 CG ASN A 36 -4.860 10.529 12.316 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.430 11.620 12.326 1.00 0.00 O ATOM 526 ND2 ASN A 36 -3.542 10.407 12.422 1.00 0.00 N ATOM 0 HA ASN A 36 -5.238 9.278 10.071 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.550 9.303 12.790 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.057 8.412 12.570 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.959 11.238 12.517 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.113 9.482 12.409 1.00 0.00 H new ATOM 533 N GLU A 37 -7.486 7.024 10.418 1.00 0.00 N ATOM 534 CA GLU A 37 -7.805 5.613 10.232 1.00 0.00 C ATOM 535 C GLU A 37 -7.219 5.092 8.922 1.00 0.00 C ATOM 536 O GLU A 37 -6.647 4.003 8.875 1.00 0.00 O ATOM 537 CB GLU A 37 -9.320 5.403 10.244 1.00 0.00 C ATOM 538 CG GLU A 37 -10.022 5.961 9.017 1.00 0.00 C ATOM 539 CD GLU A 37 -11.516 5.701 9.031 1.00 0.00 C ATOM 540 OE1 GLU A 37 -12.170 6.046 10.037 1.00 0.00 O ATOM 541 OE2 GLU A 37 -12.031 5.152 8.034 1.00 0.00 O ATOM 0 H GLU A 37 -8.298 7.641 10.445 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.362 5.055 11.057 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.530 4.336 10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.736 5.873 11.135 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.844 7.035 8.958 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.588 5.517 8.121 1.00 0.00 H new ATOM 548 N VAL A 38 -7.367 5.878 7.860 1.00 0.00 N ATOM 549 CA VAL A 38 -6.853 5.497 6.550 1.00 0.00 C ATOM 550 C VAL A 38 -5.382 5.872 6.407 1.00 0.00 C ATOM 551 O VAL A 38 -4.581 5.099 5.883 1.00 0.00 O ATOM 552 CB VAL A 38 -7.655 6.164 5.417 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.752 7.665 5.643 1.00 0.00 C ATOM 554 CG2 VAL A 38 -7.023 5.860 4.067 1.00 0.00 C ATOM 0 H VAL A 38 -7.839 6.782 7.881 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.958 4.415 6.471 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.665 5.754 5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.322 8.119 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.253 7.859 6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.751 8.095 5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.603 6.339 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.002 6.241 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.011 4.782 3.905 1.00 0.00 H new ATOM 564 N LYS A 39 -5.034 7.066 6.876 1.00 0.00 N ATOM 565 CA LYS A 39 -3.659 7.545 6.802 1.00 0.00 C ATOM 566 C LYS A 39 -2.686 6.491 7.320 1.00 0.00 C ATOM 567 O LYS A 39 -1.495 6.523 7.007 1.00 0.00 O ATOM 568 CB LYS A 39 -3.504 8.837 7.608 1.00 0.00 C ATOM 569 CG LYS A 39 -3.755 10.095 6.794 1.00 0.00 C ATOM 570 CD LYS A 39 -5.232 10.447 6.753 1.00 0.00 C ATOM 571 CE LYS A 39 -5.617 11.371 7.899 1.00 0.00 C ATOM 572 NZ LYS A 39 -4.774 12.598 7.929 1.00 0.00 N ATOM 0 H LYS A 39 -5.685 7.719 7.311 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.426 7.745 5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.196 8.815 8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.497 8.878 8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.194 10.925 7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.386 9.952 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.467 10.927 5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.826 9.535 6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.665 11.653 7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.517 10.838 8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.312 13.378 8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.918 12.417 8.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.503 12.857 6.959 1.00 0.00 H new ATOM 586 N LEU A 40 -3.200 5.557 8.113 1.00 0.00 N ATOM 587 CA LEU A 40 -2.377 4.491 8.673 1.00 0.00 C ATOM 588 C LEU A 40 -2.395 3.259 7.774 1.00 0.00 C ATOM 589 O LEU A 40 -1.355 2.657 7.506 1.00 0.00 O ATOM 590 CB LEU A 40 -2.870 4.122 10.074 1.00 0.00 C ATOM 591 CG LEU A 40 -2.570 5.134 11.180 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.534 4.956 12.342 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.130 4.996 11.652 1.00 0.00 C ATOM 0 H LEU A 40 -4.183 5.516 8.383 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.351 4.854 8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.949 3.972 10.030 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.426 3.166 10.353 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.704 6.137 10.775 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.305 5.685 13.120 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.556 5.106 11.993 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.433 3.949 12.747 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.934 5.724 12.439 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.969 3.990 12.040 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.454 5.175 10.816 1.00 0.00 H new ATOM 605 N LYS A 41 -3.583 2.890 7.309 1.00 0.00 N ATOM 606 CA LYS A 41 -3.738 1.732 6.436 1.00 0.00 C ATOM 607 C LYS A 41 -2.911 1.895 5.165 1.00 0.00 C ATOM 608 O LYS A 41 -2.447 0.913 4.584 1.00 0.00 O ATOM 609 CB LYS A 41 -5.212 1.532 6.076 1.00 0.00 C ATOM 610 CG LYS A 41 -5.641 2.285 4.829 1.00 0.00 C ATOM 611 CD LYS A 41 -7.073 1.954 4.443 1.00 0.00 C ATOM 612 CE LYS A 41 -7.961 1.807 5.670 1.00 0.00 C ATOM 613 NZ LYS A 41 -7.865 0.446 6.264 1.00 0.00 N ATOM 0 H LYS A 41 -4.454 3.376 7.522 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.379 0.853 6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.401 0.468 5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.829 1.854 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.548 3.357 5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.974 2.035 4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.468 2.739 3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.091 1.029 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.676 2.549 6.415 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.996 2.011 5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.821 0.070 6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.353 -0.182 5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.354 0.497 7.168 1.00 0.00 H new ATOM 627 N LEU A 42 -2.730 3.140 4.738 1.00 0.00 N ATOM 628 CA LEU A 42 -1.957 3.431 3.535 1.00 0.00 C ATOM 629 C LEU A 42 -0.461 3.303 3.805 1.00 0.00 C ATOM 630 O LEU A 42 0.323 3.027 2.896 1.00 0.00 O ATOM 631 CB LEU A 42 -2.276 4.839 3.028 1.00 0.00 C ATOM 632 CG LEU A 42 -3.403 4.942 2.000 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.151 3.997 0.835 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.747 4.644 2.649 1.00 0.00 C ATOM 0 H LEU A 42 -3.108 3.964 5.206 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.234 2.705 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.534 5.462 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.371 5.259 2.589 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.426 5.962 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.963 4.084 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.208 4.257 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.100 2.972 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.537 4.722 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.736 3.635 3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.932 5.361 3.449 1.00 0.00 H new ATOM 646 N TYR A 43 -0.072 3.502 5.060 1.00 0.00 N ATOM 647 CA TYR A 43 1.330 3.409 5.449 1.00 0.00 C ATOM 648 C TYR A 43 1.720 1.962 5.736 1.00 0.00 C ATOM 649 O TYR A 43 2.845 1.545 5.462 1.00 0.00 O ATOM 650 CB TYR A 43 1.597 4.275 6.681 1.00 0.00 C ATOM 651 CG TYR A 43 2.661 3.714 7.597 1.00 0.00 C ATOM 652 CD1 TYR A 43 4.005 4.005 7.393 1.00 0.00 C ATOM 653 CD2 TYR A 43 2.324 2.892 8.665 1.00 0.00 C ATOM 654 CE1 TYR A 43 4.981 3.494 8.227 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.293 2.378 9.504 1.00 0.00 C ATOM 656 CZ TYR A 43 4.620 2.681 9.281 1.00 0.00 C ATOM 657 OH TYR A 43 5.588 2.170 10.114 1.00 0.00 O ATOM 0 H TYR A 43 -0.708 3.729 5.825 1.00 0.00 H new ATOM 0 HA TYR A 43 1.937 3.772 4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.898 5.271 6.356 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.670 4.389 7.242 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.291 4.641 6.569 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.286 2.651 8.842 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.021 3.730 8.054 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.013 1.742 10.331 1.00 0.00 H new ATOM 0 HH TYR A 43 5.166 1.618 10.806 1.00 0.00 H new ATOM 667 N ALA A 44 0.782 1.202 6.290 1.00 0.00 N ATOM 668 CA ALA A 44 1.025 -0.199 6.613 1.00 0.00 C ATOM 669 C ALA A 44 1.492 -0.972 5.384 1.00 0.00 C ATOM 670 O ALA A 44 2.438 -1.758 5.455 1.00 0.00 O ATOM 671 CB ALA A 44 -0.231 -0.833 7.192 1.00 0.00 C ATOM 0 H ALA A 44 -0.154 1.533 6.525 1.00 0.00 H new ATOM 0 HA ALA A 44 1.817 -0.242 7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.035 -1.879 7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.520 -0.304 8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.039 -0.771 6.463 1.00 0.00 H new ATOM 677 N LEU A 45 0.824 -0.745 4.259 1.00 0.00 N ATOM 678 CA LEU A 45 1.170 -1.421 3.013 1.00 0.00 C ATOM 679 C LEU A 45 2.487 -0.891 2.454 1.00 0.00 C ATOM 680 O LEU A 45 3.375 -1.664 2.093 1.00 0.00 O ATOM 681 CB LEU A 45 0.055 -1.237 1.983 1.00 0.00 C ATOM 682 CG LEU A 45 -1.176 -2.126 2.161 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.762 -3.555 2.478 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.079 -1.575 3.256 1.00 0.00 C ATOM 0 H LEU A 45 0.039 -0.098 4.183 1.00 0.00 H new ATOM 0 HA LEU A 45 1.288 -2.484 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.267 -0.196 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.470 -1.419 0.992 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.735 -2.131 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.652 -4.173 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.157 -3.948 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.180 -3.569 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.950 -2.221 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.530 -1.539 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.405 -0.570 2.988 1.00 0.00 H new ATOM 696 N TYR A 46 2.606 0.430 2.388 1.00 0.00 N ATOM 697 CA TYR A 46 3.815 1.063 1.873 1.00 0.00 C ATOM 698 C TYR A 46 5.064 0.376 2.416 1.00 0.00 C ATOM 699 O TYR A 46 5.880 -0.147 1.656 1.00 0.00 O ATOM 700 CB TYR A 46 3.835 2.548 2.241 1.00 0.00 C ATOM 701 CG TYR A 46 5.228 3.118 2.381 1.00 0.00 C ATOM 702 CD1 TYR A 46 6.101 3.142 1.300 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.671 3.632 3.593 1.00 0.00 C ATOM 704 CE1 TYR A 46 7.375 3.662 1.423 1.00 0.00 C ATOM 705 CE2 TYR A 46 6.943 4.155 3.724 1.00 0.00 C ATOM 706 CZ TYR A 46 7.791 4.167 2.637 1.00 0.00 C ATOM 707 OH TYR A 46 9.060 4.686 2.764 1.00 0.00 O ATOM 0 H TYR A 46 1.881 1.083 2.684 1.00 0.00 H new ATOM 0 HA TYR A 46 3.812 0.964 0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.296 3.110 1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.298 2.689 3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.778 2.748 0.348 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.010 3.623 4.447 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.041 3.673 0.573 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.271 4.552 4.673 1.00 0.00 H new ATOM 0 HH TYR A 46 9.194 5.001 3.682 1.00 0.00 H new ATOM 717 N LYS A 47 5.206 0.380 3.737 1.00 0.00 N ATOM 718 CA LYS A 47 6.354 -0.244 4.385 1.00 0.00 C ATOM 719 C LYS A 47 6.326 -1.757 4.200 1.00 0.00 C ATOM 720 O LYS A 47 7.319 -2.440 4.454 1.00 0.00 O ATOM 721 CB LYS A 47 6.372 0.099 5.876 1.00 0.00 C ATOM 722 CG LYS A 47 6.605 1.573 6.159 1.00 0.00 C ATOM 723 CD LYS A 47 8.063 1.954 5.965 1.00 0.00 C ATOM 724 CE LYS A 47 8.877 1.703 7.225 1.00 0.00 C ATOM 725 NZ LYS A 47 10.252 2.264 7.118 1.00 0.00 N ATOM 0 H LYS A 47 4.540 0.808 4.380 1.00 0.00 H new ATOM 0 HA LYS A 47 7.259 0.144 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.424 -0.202 6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.153 -0.484 6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.980 2.174 5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.301 1.801 7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.483 1.380 5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.132 3.006 5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.369 2.148 8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.936 0.631 7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.775 2.072 7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.746 1.821 6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.197 3.291 6.965 1.00 0.00 H new ATOM 739 N GLN A 48 5.185 -2.274 3.756 1.00 0.00 N ATOM 740 CA GLN A 48 5.031 -3.708 3.537 1.00 0.00 C ATOM 741 C GLN A 48 5.446 -4.090 2.121 1.00 0.00 C ATOM 742 O GLN A 48 5.894 -5.210 1.875 1.00 0.00 O ATOM 743 CB GLN A 48 3.582 -4.130 3.788 1.00 0.00 C ATOM 744 CG GLN A 48 3.402 -5.633 3.929 1.00 0.00 C ATOM 745 CD GLN A 48 3.546 -6.106 5.362 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.424 -5.321 6.302 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.808 -7.397 5.535 1.00 0.00 N ATOM 0 H GLN A 48 4.354 -1.722 3.541 1.00 0.00 H new ATOM 0 HA GLN A 48 5.681 -4.230 4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.222 -3.643 4.694 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.961 -3.774 2.966 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.417 -5.914 3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.137 -6.143 3.306 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.901 -8.011 4.726 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.916 -7.774 6.477 1.00 0.00 H new ATOM 756 N ALA A 49 5.294 -3.152 1.191 1.00 0.00 N ATOM 757 CA ALA A 49 5.655 -3.390 -0.201 1.00 0.00 C ATOM 758 C ALA A 49 7.063 -2.886 -0.497 1.00 0.00 C ATOM 759 O ALA A 49 7.490 -2.846 -1.651 1.00 0.00 O ATOM 760 CB ALA A 49 4.649 -2.725 -1.128 1.00 0.00 C ATOM 0 H ALA A 49 4.923 -2.220 1.377 1.00 0.00 H new ATOM 0 HA ALA A 49 5.638 -4.466 -0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.931 -2.911 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.657 -3.136 -0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.638 -1.651 -0.942 1.00 0.00 H new ATOM 766 N THR A 50 7.782 -2.501 0.553 1.00 0.00 N ATOM 767 CA THR A 50 9.142 -1.998 0.406 1.00 0.00 C ATOM 768 C THR A 50 10.089 -2.676 1.389 1.00 0.00 C ATOM 769 O THR A 50 11.178 -3.110 1.016 1.00 0.00 O ATOM 770 CB THR A 50 9.203 -0.473 0.620 1.00 0.00 C ATOM 771 OG1 THR A 50 8.595 -0.130 1.870 1.00 0.00 O ATOM 772 CG2 THR A 50 8.499 0.261 -0.511 1.00 0.00 C ATOM 0 H THR A 50 7.444 -2.528 1.515 1.00 0.00 H new ATOM 0 HA THR A 50 9.455 -2.228 -0.612 1.00 0.00 H new ATOM 0 HB THR A 50 10.250 -0.171 0.631 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.630 -0.015 1.744 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.555 1.336 -0.338 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.983 0.020 -1.458 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.454 -0.046 -0.549 1.00 0.00 H new ATOM 780 N GLU A 51 9.666 -2.765 2.646 1.00 0.00 N ATOM 781 CA GLU A 51 10.479 -3.391 3.682 1.00 0.00 C ATOM 782 C GLU A 51 10.007 -4.816 3.956 1.00 0.00 C ATOM 783 O GLU A 51 10.816 -5.721 4.157 1.00 0.00 O ATOM 784 CB GLU A 51 10.424 -2.568 4.971 1.00 0.00 C ATOM 785 CG GLU A 51 10.624 -1.078 4.751 1.00 0.00 C ATOM 786 CD GLU A 51 12.082 -0.707 4.558 1.00 0.00 C ATOM 787 OE1 GLU A 51 12.812 -0.630 5.569 1.00 0.00 O ATOM 788 OE2 GLU A 51 12.492 -0.493 3.399 1.00 0.00 O ATOM 0 H GLU A 51 8.766 -2.412 2.971 1.00 0.00 H new ATOM 0 HA GLU A 51 11.509 -3.429 3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.460 -2.729 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.189 -2.931 5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.054 -0.764 3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.224 -0.532 5.605 1.00 0.00 H new ATOM 795 N GLY A 52 8.691 -5.007 3.962 1.00 0.00 N ATOM 796 CA GLY A 52 8.134 -6.324 4.213 1.00 0.00 C ATOM 797 C GLY A 52 7.311 -6.373 5.485 1.00 0.00 C ATOM 798 O GLY A 52 6.621 -5.417 5.840 1.00 0.00 O ATOM 0 H GLY A 52 8.001 -4.274 3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.510 -6.618 3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.944 -7.051 4.280 1.00 0.00 H new ATOM 802 N PRO A 53 7.378 -7.509 6.194 1.00 0.00 N ATOM 803 CA PRO A 53 6.638 -7.707 7.444 1.00 0.00 C ATOM 804 C PRO A 53 7.183 -6.850 8.582 1.00 0.00 C ATOM 805 O PRO A 53 8.395 -6.670 8.711 1.00 0.00 O ATOM 806 CB PRO A 53 6.845 -9.193 7.748 1.00 0.00 C ATOM 807 CG PRO A 53 8.122 -9.545 7.066 1.00 0.00 C ATOM 808 CD PRO A 53 8.181 -8.689 5.831 1.00 0.00 C ATOM 0 HA PRO A 53 5.591 -7.420 7.347 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.907 -9.373 8.821 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.017 -9.793 7.372 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.977 -9.354 7.715 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.148 -10.604 6.809 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.206 -8.416 5.580 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.768 -9.205 4.964 1.00 0.00 H new ATOM 816 N CYS A 54 6.282 -6.323 9.404 1.00 0.00 N ATOM 817 CA CYS A 54 6.674 -5.484 10.531 1.00 0.00 C ATOM 818 C CYS A 54 7.801 -6.134 11.326 1.00 0.00 C ATOM 819 O CYS A 54 7.579 -7.084 12.075 1.00 0.00 O ATOM 820 CB CYS A 54 5.473 -5.227 11.442 1.00 0.00 C ATOM 821 SG CYS A 54 5.911 -4.589 13.077 1.00 0.00 S ATOM 0 H CYS A 54 5.276 -6.462 9.311 1.00 0.00 H new ATOM 0 HA CYS A 54 7.033 -4.533 10.138 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.805 -4.517 10.954 1.00 0.00 H new ATOM 0 HB3 CYS A 54 4.917 -6.157 11.563 1.00 0.00 H new ATOM 0 HG CYS A 54 5.179 -3.549 13.347 1.00 0.00 H new ATOM 827 N ASN A 55 9.013 -5.615 11.157 1.00 0.00 N ATOM 828 CA ASN A 55 10.177 -6.145 11.858 1.00 0.00 C ATOM 829 C ASN A 55 10.802 -5.083 12.757 1.00 0.00 C ATOM 830 O ASN A 55 11.969 -5.182 13.133 1.00 0.00 O ATOM 831 CB ASN A 55 11.214 -6.654 10.854 1.00 0.00 C ATOM 832 CG ASN A 55 11.867 -5.528 10.076 1.00 0.00 C ATOM 833 OD1 ASN A 55 12.477 -4.630 10.656 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.741 -5.572 8.755 1.00 0.00 N ATOM 0 H ASN A 55 9.215 -4.828 10.541 1.00 0.00 H new ATOM 0 HA ASN A 55 9.847 -6.975 12.483 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.981 -7.219 11.383 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.735 -7.342 10.158 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.159 -4.842 8.178 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.226 -6.336 8.317 1.00 0.00 H new ATOM 841 N MET A 56 10.015 -4.068 13.098 1.00 0.00 N ATOM 842 CA MET A 56 10.491 -2.988 13.955 1.00 0.00 C ATOM 843 C MET A 56 10.081 -3.224 15.405 1.00 0.00 C ATOM 844 O MET A 56 9.115 -3.930 15.695 1.00 0.00 O ATOM 845 CB MET A 56 9.943 -1.644 13.470 1.00 0.00 C ATOM 846 CG MET A 56 8.466 -1.683 13.114 1.00 0.00 C ATOM 847 SD MET A 56 7.765 -0.039 12.879 1.00 0.00 S ATOM 848 CE MET A 56 8.084 0.697 14.481 1.00 0.00 C ATOM 0 H MET A 56 9.046 -3.971 12.795 1.00 0.00 H new ATOM 0 HA MET A 56 11.580 -2.969 13.902 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.102 -0.895 14.246 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.511 -1.323 12.596 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.331 -2.265 12.202 1.00 0.00 H new ATOM 0 HG3 MET A 56 7.919 -2.197 13.904 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.233 1.311 14.775 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.236 -0.090 15.219 1.00 0.00 H new ATOM 0 HE3 MET A 56 8.978 1.319 14.424 1.00 0.00 H new ATOM 858 N PRO A 57 10.831 -2.620 16.339 1.00 0.00 N ATOM 859 CA PRO A 57 10.564 -2.750 17.775 1.00 0.00 C ATOM 860 C PRO A 57 9.288 -2.030 18.194 1.00 0.00 C ATOM 861 O PRO A 57 8.992 -0.936 17.712 1.00 0.00 O ATOM 862 CB PRO A 57 11.786 -2.095 18.424 1.00 0.00 C ATOM 863 CG PRO A 57 12.290 -1.136 17.400 1.00 0.00 C ATOM 864 CD PRO A 57 11.998 -1.764 16.065 1.00 0.00 C ATOM 0 HA PRO A 57 10.414 -3.789 18.069 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.517 -1.583 19.348 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.544 -2.836 18.679 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.795 -0.170 17.493 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.359 -0.960 17.523 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.776 -1.013 15.307 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.845 -2.344 15.700 1.00 0.00 H new ATOM 872 N LYS A 58 8.533 -2.649 19.096 1.00 0.00 N ATOM 873 CA LYS A 58 7.289 -2.066 19.583 1.00 0.00 C ATOM 874 C LYS A 58 7.545 -0.725 20.263 1.00 0.00 C ATOM 875 O LYS A 58 8.354 -0.614 21.184 1.00 0.00 O ATOM 876 CB LYS A 58 6.602 -3.023 20.560 1.00 0.00 C ATOM 877 CG LYS A 58 5.135 -2.705 20.793 1.00 0.00 C ATOM 878 CD LYS A 58 4.369 -3.927 21.272 1.00 0.00 C ATOM 879 CE LYS A 58 2.985 -3.553 21.781 1.00 0.00 C ATOM 880 NZ LYS A 58 2.226 -2.749 20.784 1.00 0.00 N ATOM 0 H LYS A 58 8.762 -3.555 19.505 1.00 0.00 H new ATOM 0 HA LYS A 58 6.636 -1.899 18.727 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.688 -4.041 20.180 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.128 -2.994 21.514 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.047 -1.907 21.531 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.691 -2.335 19.869 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.276 -4.643 20.455 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.929 -4.420 22.066 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.428 -4.460 22.017 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.080 -2.987 22.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.271 -2.558 21.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.719 -1.849 20.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.157 -3.278 19.891 1.00 0.00 H new ATOM 894 N PRO A 59 6.839 0.318 19.802 1.00 0.00 N ATOM 895 CA PRO A 59 6.972 1.669 20.354 1.00 0.00 C ATOM 896 C PRO A 59 6.399 1.780 21.763 1.00 0.00 C ATOM 897 O PRO A 59 5.644 0.915 22.206 1.00 0.00 O ATOM 898 CB PRO A 59 6.165 2.531 19.379 1.00 0.00 C ATOM 899 CG PRO A 59 5.173 1.595 18.778 1.00 0.00 C ATOM 900 CD PRO A 59 5.857 0.258 18.707 1.00 0.00 C ATOM 0 HA PRO A 59 8.016 1.970 20.448 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.671 3.354 19.894 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.806 2.972 18.616 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.270 1.540 19.386 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.870 1.931 17.787 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.152 -0.562 18.844 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.340 0.105 17.742 1.00 0.00 H new ATOM 908 N GLY A 60 6.763 2.850 22.463 1.00 0.00 N ATOM 909 CA GLY A 60 6.276 3.053 23.814 1.00 0.00 C ATOM 910 C GLY A 60 4.972 3.826 23.850 1.00 0.00 C ATOM 911 O GLY A 60 4.714 4.664 22.985 1.00 0.00 O ATOM 0 H GLY A 60 7.387 3.580 22.118 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.135 2.085 24.295 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.029 3.589 24.392 1.00 0.00 H new ATOM 915 N VAL A 61 4.146 3.544 24.853 1.00 0.00 N ATOM 916 CA VAL A 61 2.862 4.219 24.998 1.00 0.00 C ATOM 917 C VAL A 61 2.995 5.715 24.737 1.00 0.00 C ATOM 918 O VAL A 61 2.282 6.277 23.905 1.00 0.00 O ATOM 919 CB VAL A 61 2.271 4.005 26.405 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.829 2.561 26.584 1.00 0.00 C ATOM 921 CG2 VAL A 61 3.281 4.398 27.472 1.00 0.00 C ATOM 0 H VAL A 61 4.343 2.853 25.577 1.00 0.00 H new ATOM 0 HA VAL A 61 2.190 3.783 24.259 1.00 0.00 H new ATOM 0 HB VAL A 61 1.395 4.644 26.514 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.414 2.429 27.583 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.069 2.318 25.841 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.686 1.900 26.456 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.847 4.241 28.459 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.177 3.786 27.368 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.544 5.449 27.355 1.00 0.00 H new ATOM 931 N PHE A 62 3.912 6.356 25.454 1.00 0.00 N ATOM 932 CA PHE A 62 4.139 7.789 25.300 1.00 0.00 C ATOM 933 C PHE A 62 4.152 8.182 23.826 1.00 0.00 C ATOM 934 O PHE A 62 3.735 9.282 23.462 1.00 0.00 O ATOM 935 CB PHE A 62 5.460 8.191 25.959 1.00 0.00 C ATOM 936 CG PHE A 62 5.722 7.484 27.258 1.00 0.00 C ATOM 937 CD1 PHE A 62 4.709 7.320 28.189 1.00 0.00 C ATOM 938 CD2 PHE A 62 6.980 6.981 27.547 1.00 0.00 C ATOM 939 CE1 PHE A 62 4.948 6.670 29.385 1.00 0.00 C ATOM 940 CE2 PHE A 62 7.225 6.330 28.741 1.00 0.00 C ATOM 941 CZ PHE A 62 6.207 6.173 29.661 1.00 0.00 C ATOM 0 H PHE A 62 4.510 5.906 26.147 1.00 0.00 H new ATOM 0 HA PHE A 62 3.321 8.316 25.791 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.279 7.983 25.270 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.457 9.267 26.134 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.722 7.704 27.978 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.779 7.099 26.830 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.151 6.551 30.104 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.211 5.945 28.954 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.395 5.663 30.594 1.00 0.00 H new ATOM 951 N ASP A 63 4.635 7.276 22.982 1.00 0.00 N ATOM 952 CA ASP A 63 4.702 7.527 21.547 1.00 0.00 C ATOM 953 C ASP A 63 3.432 7.048 20.851 1.00 0.00 C ATOM 954 O ASP A 63 3.386 5.940 20.315 1.00 0.00 O ATOM 955 CB ASP A 63 5.923 6.832 20.944 1.00 0.00 C ATOM 956 CG ASP A 63 7.168 7.696 20.998 1.00 0.00 C ATOM 957 OD1 ASP A 63 7.326 8.447 21.983 1.00 0.00 O ATOM 958 OD2 ASP A 63 7.984 7.620 20.056 1.00 0.00 O ATOM 0 H ASP A 63 4.986 6.362 23.267 1.00 0.00 H new ATOM 0 HA ASP A 63 4.793 8.602 21.395 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.108 5.900 21.479 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.712 6.568 19.908 1.00 0.00 H new ATOM 963 N LEU A 64 2.404 7.889 20.864 1.00 0.00 N ATOM 964 CA LEU A 64 1.132 7.552 20.235 1.00 0.00 C ATOM 965 C LEU A 64 1.255 7.570 18.715 1.00 0.00 C ATOM 966 O LEU A 64 0.501 6.894 18.013 1.00 0.00 O ATOM 967 CB LEU A 64 0.044 8.529 20.682 1.00 0.00 C ATOM 968 CG LEU A 64 -0.084 8.747 22.190 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.122 9.818 22.489 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.442 7.444 22.889 1.00 0.00 C ATOM 0 H LEU A 64 2.426 8.809 21.303 1.00 0.00 H new ATOM 0 HA LEU A 64 0.856 6.545 20.547 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.234 9.493 20.211 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.914 8.172 20.304 1.00 0.00 H new ATOM 0 HG LEU A 64 0.879 9.087 22.571 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.199 9.959 23.567 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.823 10.756 22.021 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.089 9.508 22.094 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.529 7.618 23.961 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.392 7.073 22.503 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.338 6.705 22.704 1.00 0.00 H new ATOM 982 N ILE A 65 2.209 8.346 18.213 1.00 0.00 N ATOM 983 CA ILE A 65 2.433 8.449 16.776 1.00 0.00 C ATOM 984 C ILE A 65 2.968 7.140 16.207 1.00 0.00 C ATOM 985 O ILE A 65 2.424 6.601 15.244 1.00 0.00 O ATOM 986 CB ILE A 65 3.419 9.583 16.440 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.833 10.936 16.849 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.753 9.572 14.956 1.00 0.00 C ATOM 989 CD1 ILE A 65 3.176 11.339 18.267 1.00 0.00 C ATOM 0 H ILE A 65 2.840 8.913 18.780 1.00 0.00 H new ATOM 0 HA ILE A 65 1.467 8.671 16.322 1.00 0.00 H new ATOM 0 HB ILE A 65 4.339 9.422 17.001 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.196 11.702 16.164 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.749 10.901 16.742 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.451 10.379 14.734 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.207 8.617 14.692 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.840 9.712 14.377 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.728 12.308 18.488 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.789 10.593 18.961 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.259 11.407 18.374 1.00 0.00 H new ATOM 1001 N ASN A 66 4.038 6.632 16.811 1.00 0.00 N ATOM 1002 CA ASN A 66 4.646 5.384 16.366 1.00 0.00 C ATOM 1003 C ASN A 66 3.734 4.198 16.661 1.00 0.00 C ATOM 1004 O ASN A 66 3.587 3.293 15.839 1.00 0.00 O ATOM 1005 CB ASN A 66 6.001 5.182 17.047 1.00 0.00 C ATOM 1006 CG ASN A 66 7.131 5.866 16.302 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.793 5.257 15.460 1.00 0.00 O ATOM 1008 ND2 ASN A 66 7.357 7.138 16.608 1.00 0.00 N ATOM 0 H ASN A 66 4.501 7.066 17.610 1.00 0.00 H new ATOM 0 HA ASN A 66 4.794 5.445 15.288 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.954 5.569 18.065 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.212 4.115 17.121 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.104 7.650 16.139 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.784 7.603 17.312 1.00 0.00 H new ATOM 1015 N LYS A 67 3.122 4.208 17.840 1.00 0.00 N ATOM 1016 CA LYS A 67 2.222 3.136 18.246 1.00 0.00 C ATOM 1017 C LYS A 67 1.081 2.976 17.246 1.00 0.00 C ATOM 1018 O LYS A 67 0.652 1.860 16.953 1.00 0.00 O ATOM 1019 CB LYS A 67 1.656 3.415 19.640 1.00 0.00 C ATOM 1020 CG LYS A 67 1.121 2.178 20.339 1.00 0.00 C ATOM 1021 CD LYS A 67 2.234 1.196 20.664 1.00 0.00 C ATOM 1022 CE LYS A 67 1.799 0.188 21.716 1.00 0.00 C ATOM 1023 NZ LYS A 67 0.414 -0.303 21.475 1.00 0.00 N ATOM 0 H LYS A 67 3.233 4.949 18.532 1.00 0.00 H new ATOM 0 HA LYS A 67 2.793 2.208 18.272 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.436 3.862 20.257 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.855 4.150 19.557 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.612 2.470 21.258 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.380 1.692 19.704 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.533 0.671 19.757 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.108 1.741 21.020 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.488 -0.656 21.717 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.855 0.646 22.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.227 -1.127 22.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.266 0.452 21.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.312 -0.577 20.477 1.00 0.00 H new ATOM 1037 N ALA A 68 0.595 4.098 16.725 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.494 4.082 15.756 1.00 0.00 C ATOM 1039 C ALA A 68 -0.080 3.359 14.478 1.00 0.00 C ATOM 1040 O ALA A 68 -0.867 2.619 13.888 1.00 0.00 O ATOM 1041 CB ALA A 68 -0.941 5.501 15.441 1.00 0.00 C ATOM 0 H ALA A 68 0.938 5.030 16.958 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.331 3.539 16.195 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.755 5.474 14.716 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.285 5.985 16.355 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.104 6.062 15.026 1.00 0.00 H new ATOM 1047 N LYS A 69 1.160 3.580 14.054 1.00 0.00 N ATOM 1048 CA LYS A 69 1.680 2.950 12.846 1.00 0.00 C ATOM 1049 C LYS A 69 2.019 1.484 13.100 1.00 0.00 C ATOM 1050 O LYS A 69 1.650 0.608 12.318 1.00 0.00 O ATOM 1051 CB LYS A 69 2.922 3.694 12.353 1.00 0.00 C ATOM 1052 CG LYS A 69 2.611 4.823 11.386 1.00 0.00 C ATOM 1053 CD LYS A 69 2.280 6.111 12.121 1.00 0.00 C ATOM 1054 CE LYS A 69 1.710 7.160 11.179 1.00 0.00 C ATOM 1055 NZ LYS A 69 1.044 8.268 11.919 1.00 0.00 N ATOM 0 H LYS A 69 1.824 4.191 14.530 1.00 0.00 H new ATOM 0 HA LYS A 69 0.907 2.998 12.079 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.457 4.099 13.212 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.591 2.984 11.867 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.466 4.987 10.730 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.771 4.539 10.751 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.562 5.904 12.914 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.179 6.500 12.599 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.511 7.566 10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.993 6.691 10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.669 8.962 11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.264 7.885 12.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.734 8.732 12.544 1.00 0.00 H new ATOM 1069 N TRP A 70 2.722 1.226 14.196 1.00 0.00 N ATOM 1070 CA TRP A 70 3.109 -0.134 14.553 1.00 0.00 C ATOM 1071 C TRP A 70 1.934 -1.093 14.400 1.00 0.00 C ATOM 1072 O TRP A 70 2.076 -2.180 13.840 1.00 0.00 O ATOM 1073 CB TRP A 70 3.634 -0.177 15.989 1.00 0.00 C ATOM 1074 CG TRP A 70 4.509 -1.362 16.266 1.00 0.00 C ATOM 1075 CD1 TRP A 70 5.822 -1.511 15.920 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.133 -2.565 16.947 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.284 -2.734 16.343 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.268 -3.399 16.977 1.00 0.00 C ATOM 1079 CE3 TRP A 70 2.949 -3.017 17.535 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.250 -4.658 17.571 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 2.933 -4.267 18.124 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.077 -5.075 18.140 1.00 0.00 C ATOM 0 H TRP A 70 3.036 1.940 14.853 1.00 0.00 H new ATOM 0 HA TRP A 70 3.901 -0.449 13.874 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.195 0.735 16.190 1.00 0.00 H new ATOM 0 HB3 TRP A 70 2.789 -0.190 16.677 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.411 -0.776 15.392 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.230 -3.089 16.207 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.062 -2.401 17.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.130 -5.283 17.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.023 -4.627 18.580 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.033 -6.046 18.611 1.00 0.00 H new ATOM 1093 N ASP A 71 0.773 -0.684 14.900 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.428 -1.506 14.816 1.00 0.00 C ATOM 1095 C ASP A 71 -0.904 -1.629 13.372 1.00 0.00 C ATOM 1096 O ASP A 71 -1.527 -2.621 12.996 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.539 -0.914 15.684 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.451 -1.367 17.128 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -1.784 -2.539 17.404 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -1.048 -0.550 17.982 1.00 0.00 O ATOM 0 H ASP A 71 0.638 0.212 15.368 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.182 -2.502 15.184 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.486 0.174 15.644 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.508 -1.201 15.275 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.606 -0.614 12.568 1.00 0.00 N ATOM 1106 CA ALA A 72 -1.003 -0.608 11.166 1.00 0.00 C ATOM 1107 C ALA A 72 -0.128 -1.549 10.344 1.00 0.00 C ATOM 1108 O ALA A 72 -0.633 -2.403 9.616 1.00 0.00 O ATOM 1109 CB ALA A 72 -0.935 0.804 10.604 1.00 0.00 C ATOM 0 H ALA A 72 -0.091 0.215 12.864 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.032 -0.963 11.104 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.234 0.793 9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.607 1.452 11.167 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.085 1.180 10.686 1.00 0.00 H new ATOM 1115 N TRP A 73 1.184 -1.386 10.466 1.00 0.00 N ATOM 1116 CA TRP A 73 2.130 -2.221 9.734 1.00 0.00 C ATOM 1117 C TRP A 73 2.187 -3.626 10.325 1.00 0.00 C ATOM 1118 O TRP A 73 2.275 -4.612 9.596 1.00 0.00 O ATOM 1119 CB TRP A 73 3.522 -1.589 9.753 1.00 0.00 C ATOM 1120 CG TRP A 73 4.501 -2.281 8.854 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.216 -3.198 7.882 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.923 -2.114 8.845 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.375 -3.610 7.270 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.436 -2.960 7.842 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.813 -1.331 9.586 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.798 -3.043 7.563 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.164 -1.415 9.308 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.646 -2.265 8.304 1.00 0.00 C ATOM 0 H TRP A 73 1.618 -0.683 11.065 1.00 0.00 H new ATOM 0 HA TRP A 73 1.787 -2.295 8.702 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.443 -0.543 9.455 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.905 -1.602 10.773 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.225 -3.548 7.632 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.435 -4.290 6.512 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.451 -0.672 10.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.172 -3.698 6.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.861 -0.815 9.875 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.708 -2.307 8.111 1.00 0.00 H new ATOM 1139 N ASN A 74 2.136 -3.707 11.651 1.00 0.00 N ATOM 1140 CA ASN A 74 2.182 -4.992 12.339 1.00 0.00 C ATOM 1141 C ASN A 74 1.031 -5.889 11.896 1.00 0.00 C ATOM 1142 O ASN A 74 1.243 -7.021 11.462 1.00 0.00 O ATOM 1143 CB ASN A 74 2.128 -4.784 13.854 1.00 0.00 C ATOM 1144 CG ASN A 74 2.069 -6.094 14.616 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.435 -7.147 14.091 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.608 -6.036 15.860 1.00 0.00 N ATOM 0 H ASN A 74 2.063 -2.899 12.269 1.00 0.00 H new ATOM 0 HA ASN A 74 3.120 -5.482 12.079 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.005 -4.221 14.172 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.255 -4.182 14.104 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.546 -6.886 16.421 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.316 -5.142 16.254 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.190 -5.375 12.008 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.375 -6.128 11.617 1.00 0.00 C ATOM 1155 C ALA A 75 -1.085 -7.023 10.417 1.00 0.00 C ATOM 1156 O ALA A 75 -1.262 -8.240 10.480 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.523 -5.180 11.305 1.00 0.00 C ATOM 0 H ALA A 75 -0.384 -4.440 12.366 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.662 -6.766 12.453 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.402 -5.756 11.014 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.755 -4.586 12.189 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.236 -4.518 10.488 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.640 -6.413 9.324 1.00 0.00 N ATOM 1164 CA LEU A 76 -0.326 -7.155 8.108 1.00 0.00 C ATOM 1165 C LEU A 76 0.317 -8.498 8.440 1.00 0.00 C ATOM 1166 O LEU A 76 -0.180 -9.551 8.042 1.00 0.00 O ATOM 1167 CB LEU A 76 0.609 -6.337 7.214 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.050 -5.230 6.390 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.993 -5.824 5.355 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.793 -4.260 7.297 1.00 0.00 C ATOM 0 H LEU A 76 -0.489 -5.407 9.255 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.258 -7.341 7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.378 -5.887 7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.115 -7.019 6.531 1.00 0.00 H new ATOM 0 HG LEU A 76 0.731 -4.680 5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.453 -5.021 4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.434 -6.477 4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.770 -6.400 5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.256 -3.479 6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.564 -4.797 7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.092 -3.809 7.999 1.00 0.00 H new ATOM 1182 N GLY A 77 1.424 -8.453 9.175 1.00 0.00 N ATOM 1183 CA GLY A 77 2.115 -9.673 9.550 1.00 0.00 C ATOM 1184 C GLY A 77 3.117 -10.117 8.503 1.00 0.00 C ATOM 1185 O GLY A 77 3.954 -9.330 8.062 1.00 0.00 O ATOM 0 H GLY A 77 1.854 -7.594 9.517 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.630 -9.519 10.498 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.385 -10.466 9.709 1.00 0.00 H new ATOM 1189 N SER A 78 3.033 -11.383 8.106 1.00 0.00 N ATOM 1190 CA SER A 78 3.944 -11.933 7.108 1.00 0.00 C ATOM 1191 C SER A 78 3.415 -11.689 5.698 1.00 0.00 C ATOM 1192 O SER A 78 3.608 -12.509 4.800 1.00 0.00 O ATOM 1193 CB SER A 78 4.142 -13.432 7.339 1.00 0.00 C ATOM 1194 OG SER A 78 4.794 -13.676 8.573 1.00 0.00 O ATOM 0 H SER A 78 2.344 -12.047 8.460 1.00 0.00 H new ATOM 0 HA SER A 78 4.904 -11.427 7.210 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.175 -13.935 7.329 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.730 -13.854 6.524 1.00 0.00 H new ATOM 0 HG SER A 78 4.907 -14.641 8.698 1.00 0.00 H new ATOM 1200 N LEU A 79 2.748 -10.556 5.511 1.00 0.00 N ATOM 1201 CA LEU A 79 2.191 -10.202 4.210 1.00 0.00 C ATOM 1202 C LEU A 79 3.299 -9.970 3.188 1.00 0.00 C ATOM 1203 O LEU A 79 4.196 -9.150 3.384 1.00 0.00 O ATOM 1204 CB LEU A 79 1.321 -8.949 4.329 1.00 0.00 C ATOM 1205 CG LEU A 79 0.372 -8.677 3.161 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.157 -8.424 1.884 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.592 -9.839 2.976 1.00 0.00 C ATOM 0 H LEU A 79 2.580 -9.867 6.244 1.00 0.00 H new ATOM 0 HA LEU A 79 1.575 -11.034 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.729 -9.027 5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.976 -8.086 4.447 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.208 -7.783 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.465 -8.232 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.806 -7.559 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.763 -9.299 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.260 -9.628 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.029 -10.749 2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.179 -9.973 3.885 1.00 0.00 H new ATOM 1219 N PRO A 80 3.235 -10.707 2.069 1.00 0.00 N ATOM 1220 CA PRO A 80 4.224 -10.597 0.992 1.00 0.00 C ATOM 1221 C PRO A 80 4.121 -9.273 0.243 1.00 0.00 C ATOM 1222 O PRO A 80 3.025 -8.760 0.015 1.00 0.00 O ATOM 1223 CB PRO A 80 3.871 -11.764 0.066 1.00 0.00 C ATOM 1224 CG PRO A 80 2.425 -12.023 0.317 1.00 0.00 C ATOM 1225 CD PRO A 80 2.193 -11.703 1.768 1.00 0.00 C ATOM 0 HA PRO A 80 5.245 -10.630 1.372 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.052 -11.509 -0.978 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.475 -12.643 0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.800 -11.402 -0.324 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.171 -13.061 0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.193 -11.302 1.936 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.291 -12.589 2.395 1.00 0.00 H new ATOM 1233 N LYS A 81 5.269 -8.723 -0.139 1.00 0.00 N ATOM 1234 CA LYS A 81 5.309 -7.459 -0.864 1.00 0.00 C ATOM 1235 C LYS A 81 4.353 -7.483 -2.053 1.00 0.00 C ATOM 1236 O LYS A 81 3.497 -6.610 -2.190 1.00 0.00 O ATOM 1237 CB LYS A 81 6.732 -7.169 -1.346 1.00 0.00 C ATOM 1238 CG LYS A 81 7.708 -6.879 -0.219 1.00 0.00 C ATOM 1239 CD LYS A 81 9.134 -7.228 -0.613 1.00 0.00 C ATOM 1240 CE LYS A 81 10.076 -7.151 0.579 1.00 0.00 C ATOM 1241 NZ LYS A 81 11.483 -7.448 0.193 1.00 0.00 N ATOM 0 H LYS A 81 6.185 -9.134 0.042 1.00 0.00 H new ATOM 0 HA LYS A 81 4.994 -6.668 -0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.094 -8.023 -1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.710 -6.317 -2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.652 -5.824 0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.424 -7.449 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.161 -8.233 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.475 -6.546 -1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.023 -6.156 1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.752 -7.857 1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.094 -7.385 1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.539 -8.407 -0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.801 -6.759 -0.518 1.00 0.00 H new ATOM 1255 N GLU A 82 4.505 -8.490 -2.908 1.00 0.00 N ATOM 1256 CA GLU A 82 3.655 -8.627 -4.084 1.00 0.00 C ATOM 1257 C GLU A 82 2.195 -8.354 -3.735 1.00 0.00 C ATOM 1258 O GLU A 82 1.486 -7.669 -4.472 1.00 0.00 O ATOM 1259 CB GLU A 82 3.794 -10.029 -4.682 1.00 0.00 C ATOM 1260 CG GLU A 82 3.201 -11.123 -3.810 1.00 0.00 C ATOM 1261 CD GLU A 82 3.809 -12.484 -4.088 1.00 0.00 C ATOM 1262 OE1 GLU A 82 5.034 -12.548 -4.328 1.00 0.00 O ATOM 1263 OE2 GLU A 82 3.062 -13.484 -4.067 1.00 0.00 O ATOM 0 H GLU A 82 5.208 -9.222 -2.808 1.00 0.00 H new ATOM 0 HA GLU A 82 3.978 -7.892 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.307 -10.049 -5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.850 -10.241 -4.849 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.353 -10.869 -2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.124 -11.170 -3.974 1.00 0.00 H new ATOM 1270 N ALA A 83 1.752 -8.895 -2.605 1.00 0.00 N ATOM 1271 CA ALA A 83 0.377 -8.710 -2.156 1.00 0.00 C ATOM 1272 C ALA A 83 0.169 -7.309 -1.591 1.00 0.00 C ATOM 1273 O ALA A 83 -0.872 -6.690 -1.810 1.00 0.00 O ATOM 1274 CB ALA A 83 0.015 -9.760 -1.116 1.00 0.00 C ATOM 0 H ALA A 83 2.325 -9.465 -1.983 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.280 -8.828 -3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.014 -9.610 -0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.116 -10.754 -1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.684 -9.670 -0.260 1.00 0.00 H new ATOM 1280 N ALA A 84 1.165 -6.815 -0.862 1.00 0.00 N ATOM 1281 CA ALA A 84 1.091 -5.487 -0.267 1.00 0.00 C ATOM 1282 C ALA A 84 0.943 -4.412 -1.339 1.00 0.00 C ATOM 1283 O ALA A 84 0.186 -3.456 -1.172 1.00 0.00 O ATOM 1284 CB ALA A 84 2.324 -5.220 0.584 1.00 0.00 C ATOM 0 H ALA A 84 2.033 -7.315 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 84 0.208 -5.451 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.255 -4.224 1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.385 -5.963 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.216 -5.281 -0.039 1.00 0.00 H new ATOM 1290 N ARG A 85 1.670 -4.576 -2.439 1.00 0.00 N ATOM 1291 CA ARG A 85 1.621 -3.619 -3.537 1.00 0.00 C ATOM 1292 C ARG A 85 0.206 -3.508 -4.099 1.00 0.00 C ATOM 1293 O ARG A 85 -0.227 -2.430 -4.506 1.00 0.00 O ATOM 1294 CB ARG A 85 2.590 -4.032 -4.646 1.00 0.00 C ATOM 1295 CG ARG A 85 3.990 -3.466 -4.474 1.00 0.00 C ATOM 1296 CD ARG A 85 4.142 -2.132 -5.188 1.00 0.00 C ATOM 1297 NE ARG A 85 5.174 -1.298 -4.577 1.00 0.00 N ATOM 1298 CZ ARG A 85 6.476 -1.483 -4.766 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.903 -2.467 -5.546 1.00 0.00 N ATOM 1300 NH2 ARG A 85 7.354 -0.682 -4.175 1.00 0.00 N ATOM 0 H ARG A 85 2.300 -5.363 -2.593 1.00 0.00 H new ATOM 0 HA ARG A 85 1.917 -2.644 -3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.649 -5.120 -4.679 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.191 -3.705 -5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.205 -3.339 -3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.721 -4.174 -4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.391 -2.307 -6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.190 -1.601 -5.171 1.00 0.00 H new ATOM 0 HE ARG A 85 4.879 -0.532 -3.972 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.231 -3.084 -6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.903 -2.607 -5.689 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.029 0.076 -3.575 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.353 -0.825 -4.321 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.507 -4.629 -4.117 1.00 0.00 N ATOM 1315 CA GLN A 86 -1.872 -4.657 -4.630 1.00 0.00 C ATOM 1316 C GLN A 86 -2.851 -4.100 -3.602 1.00 0.00 C ATOM 1317 O GLN A 86 -3.781 -3.373 -3.948 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.268 -6.086 -5.007 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.722 -6.222 -5.430 1.00 0.00 C ATOM 1320 CD GLN A 86 -3.938 -5.883 -6.892 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -3.457 -6.584 -7.782 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -4.667 -4.802 -7.147 1.00 0.00 N ATOM 0 H GLN A 86 -0.163 -5.529 -3.783 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.912 -4.029 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.628 -6.429 -5.820 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.083 -6.742 -4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.057 -7.243 -5.244 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.339 -5.567 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.046 -4.250 -6.378 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.847 -4.524 -8.112 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.634 -4.446 -2.337 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.499 -3.981 -1.259 1.00 0.00 C ATOM 1333 C ASN A 87 -3.539 -2.456 -1.213 1.00 0.00 C ATOM 1334 O ASN A 87 -4.612 -1.854 -1.173 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.014 -4.530 0.084 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.439 -5.968 0.309 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -4.616 -6.251 0.532 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.480 -6.884 0.251 1.00 0.00 N ATOM 0 H ASN A 87 -1.867 -5.046 -2.034 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.507 -4.348 -1.452 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -1.927 -4.464 0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.405 -3.908 0.890 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.706 -7.868 0.394 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.517 -6.603 0.063 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.363 -1.839 -1.221 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.264 -0.385 -1.178 1.00 0.00 C ATOM 1347 C TYR A 88 -3.118 0.252 -2.270 1.00 0.00 C ATOM 1348 O TYR A 88 -3.976 1.091 -1.993 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.806 0.052 -1.336 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.604 1.545 -1.205 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.056 2.417 -2.187 1.00 0.00 C ATOM 1352 CD2 TYR A 88 0.039 2.083 -0.097 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.873 3.781 -2.071 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.226 3.446 0.029 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.232 4.291 -0.961 1.00 0.00 C ATOM 1356 OH TYR A 88 -0.048 5.649 -0.841 1.00 0.00 O ATOM 0 H TYR A 88 -1.466 -2.322 -1.257 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.635 -0.049 -0.210 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.200 -0.455 -0.585 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.442 -0.271 -2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.559 2.021 -3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.399 1.424 0.679 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.230 4.445 -2.845 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.728 3.848 0.897 1.00 0.00 H new ATOM 0 HH TYR A 88 0.419 5.843 -0.001 1.00 0.00 H new ATOM 1366 N VAL A 89 -2.878 -0.154 -3.513 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.626 0.375 -4.647 1.00 0.00 C ATOM 1368 C VAL A 89 -5.109 0.040 -4.532 1.00 0.00 C ATOM 1369 O VAL A 89 -5.968 0.869 -4.832 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.088 -0.178 -5.981 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.696 0.367 -6.262 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.080 -1.700 -5.961 1.00 0.00 C ATOM 0 H VAL A 89 -2.172 -0.847 -3.760 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.499 1.457 -4.633 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.749 0.149 -6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.332 -0.034 -7.208 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.736 1.455 -6.321 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.021 0.072 -5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.697 -2.074 -6.910 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.442 -2.050 -5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.095 -2.067 -5.809 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.402 -1.180 -4.095 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.781 -1.625 -3.938 1.00 0.00 C ATOM 1384 C ASP A 90 -7.583 -0.628 -3.108 1.00 0.00 C ATOM 1385 O ASP A 90 -8.754 -0.369 -3.389 1.00 0.00 O ATOM 1386 CB ASP A 90 -6.823 -3.005 -3.280 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.194 -3.646 -3.364 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -9.098 -3.213 -2.619 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -8.364 -4.581 -4.175 1.00 0.00 O ATOM 0 H ASP A 90 -4.702 -1.878 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.230 -1.690 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.091 -3.655 -3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.531 -2.914 -2.234 1.00 0.00 H new ATOM 1394 N LEU A 91 -6.946 -0.070 -2.085 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.600 0.899 -1.212 1.00 0.00 C ATOM 1396 C LEU A 91 -7.744 2.248 -1.909 1.00 0.00 C ATOM 1397 O LEU A 91 -8.847 2.780 -2.033 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.806 1.064 0.085 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.409 2.008 1.126 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.431 3.436 0.603 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.812 1.556 1.506 1.00 0.00 C ATOM 0 H LEU A 91 -5.977 -0.272 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.596 0.525 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.686 0.081 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.808 1.423 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.785 1.980 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.863 4.093 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.414 3.758 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.032 3.482 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.226 2.239 2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.446 1.555 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.770 0.550 1.923 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.622 2.797 -2.363 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.623 4.083 -3.050 1.00 0.00 C ATOM 1415 C VAL A 92 -7.708 4.133 -4.120 1.00 0.00 C ATOM 1416 O VAL A 92 -8.336 5.170 -4.334 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.259 4.371 -3.704 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.294 5.695 -4.452 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.155 4.370 -2.657 1.00 0.00 C ATOM 0 H VAL A 92 -5.700 2.371 -2.267 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.824 4.844 -2.296 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.047 3.580 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.321 5.881 -4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.057 5.654 -5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.529 6.500 -3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.198 4.575 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.359 5.139 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.115 3.395 -2.171 1.00 0.00 H new ATOM 1429 N SER A 93 -7.923 3.005 -4.790 1.00 0.00 N ATOM 1430 CA SER A 93 -8.931 2.921 -5.841 1.00 0.00 C ATOM 1431 C SER A 93 -10.335 3.038 -5.258 1.00 0.00 C ATOM 1432 O SER A 93 -11.255 3.521 -5.918 1.00 0.00 O ATOM 1433 CB SER A 93 -8.792 1.602 -6.605 1.00 0.00 C ATOM 1434 OG SER A 93 -9.668 1.563 -7.718 1.00 0.00 O ATOM 0 H SER A 93 -7.413 2.137 -4.624 1.00 0.00 H new ATOM 0 HA SER A 93 -8.772 3.751 -6.530 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.763 1.481 -6.944 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.009 0.767 -5.938 1.00 0.00 H new ATOM 0 HG SER A 93 -9.559 0.711 -8.190 1.00 0.00 H new ATOM 1440 N SER A 94 -10.493 2.593 -4.015 1.00 0.00 N ATOM 1441 CA SER A 94 -11.786 2.645 -3.343 1.00 0.00 C ATOM 1442 C SER A 94 -12.220 4.089 -3.110 1.00 0.00 C ATOM 1443 O SER A 94 -13.395 4.427 -3.254 1.00 0.00 O ATOM 1444 CB SER A 94 -11.720 1.898 -2.009 1.00 0.00 C ATOM 1445 OG SER A 94 -13.005 1.793 -1.420 1.00 0.00 O ATOM 0 H SER A 94 -9.742 2.193 -3.453 1.00 0.00 H new ATOM 0 HA SER A 94 -12.522 2.163 -3.986 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.306 0.902 -2.166 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.046 2.420 -1.329 1.00 0.00 H new ATOM 0 HG SER A 94 -12.937 1.311 -0.570 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.263 4.936 -2.748 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.544 6.345 -2.494 1.00 0.00 C ATOM 1453 C LEU A 95 -11.967 7.055 -3.776 1.00 0.00 C ATOM 1454 O LEU A 95 -12.981 7.752 -3.806 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.314 7.032 -1.898 1.00 0.00 C ATOM 1456 CG LEU A 95 -9.911 6.584 -0.492 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.471 6.978 -0.200 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.850 7.180 0.547 1.00 0.00 C ATOM 0 H LEU A 95 -10.286 4.672 -2.624 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.366 6.403 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.470 6.865 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.497 8.106 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.987 5.498 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.201 6.652 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.810 6.504 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.369 8.061 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.548 6.851 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.806 8.268 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.869 6.849 0.349 1.00 0.00 H new