USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 720 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 69 TYR OH : rot 166:sc= 0.478 USER MOD Set 1.2: A 104 LYS NZ :NH3+ -133:sc= 0.641 (180deg=-0.241) USER MOD Set 2.1: A 66 ASN : amide:sc= -0.689 K(o=-5.8,f=-5) USER MOD Set 2.2: A 67 CYS SG : rot -37:sc= -1.06 USER MOD Set 2.3: A 70 CYS SG : rot 135:sc= 0.96 USER MOD Set 2.4: A 84 HIS : no HE2:sc= -4.15 K(o=-5.8,f=-1.3) USER MOD Set 2.5: A 101 CYS SG : rot 82:sc= -0.895 USER MOD Set 3.1: A 64 SER OG : rot -144:sc= 0.38 USER MOD Set 3.2: A 78 ASN : amide:sc= -1.43! C(o=-1.1!,f=-3.1!) USER MOD Set 4.1: A 27 LYS NZ :NH3+ -168:sc= 1.37 (180deg=0.0227) USER MOD Set 4.2: A 58 TYR OH : rot 180:sc= 0.965 USER MOD Single : A 18 GLN : amide:sc= -1.71 K(o=-1.7,f=-0.065) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 MET CE :methyl -142:sc= -0.193 (180deg=-0.761) USER MOD Single : A 25 LYS NZ :NH3+ 141:sc= 0.0191 (180deg=-0.124) USER MOD Single : A 29 MET CE :methyl 168:sc= 0 (180deg=-0.331) USER MOD Single : A 30 LYS NZ :NH3+ -147:sc= 1.28 (180deg=1.23) USER MOD Single : A 32 GLN : amide:sc= 0.045 X(o=0.045,f=-0.024) USER MOD Single : A 35 GLN : amide:sc= 1.04 K(o=1,f=-0.78) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -116:sc= -4.06! (180deg=-11.2!) USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= -0.158 (180deg=-0.902) USER MOD Single : A 53 SER OG : rot 81:sc= 0.745 USER MOD Single : A 55 ASN : amide:sc= -0.0689 K(o=-0.069,f=-6.4!) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 1.21 (180deg=1.18) USER MOD Single : A 60 TYR OH : rot -15:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.866 K(o=-0.87,f=-0.33) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 2.03 (180deg=1.69) USER MOD Single : A 68 SER OG : rot 92:sc= -0.58! USER MOD Single : A 71 SER OG : rot 118:sc= 1.26 USER MOD Single : A 75 ASN : amide:sc= -0.0075 K(o=-0.0075,f=-1) USER MOD Single : A 76 CYS SG : rot 39:sc= -0.0243 USER MOD Single : A 77 ASN : amide:sc= -0.0773 K(o=-0.077,f=-1.3!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 146:sc= 0.488 (180deg=-1.77) USER MOD Single : A 90 ASN : amide:sc=-0.00386 K(o=-0.0039,f=-0.99) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -22.039 2.647 4.616 1.00 0.00 N ATOM 226 CA ASP A 16 -22.837 3.389 3.646 1.00 0.00 C ATOM 227 C ASP A 16 -22.081 4.626 3.186 1.00 0.00 C ATOM 228 O ASP A 16 -22.247 5.094 2.058 1.00 0.00 O ATOM 229 CB ASP A 16 -24.183 3.780 4.262 1.00 0.00 C ATOM 230 CG ASP A 16 -25.060 4.581 3.320 1.00 0.00 C ATOM 231 OD1 ASP A 16 -25.628 3.984 2.383 1.00 0.00 O ATOM 232 OD2 ASP A 16 -25.209 5.804 3.531 1.00 0.00 O ATOM 0 HA ASP A 16 -23.024 2.755 2.780 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -24.714 2.877 4.563 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -24.006 4.362 5.167 1.00 0.00 H new ATOM 237 N PHE A 17 -21.224 5.128 4.068 1.00 0.00 N ATOM 238 CA PHE A 17 -20.394 6.285 3.771 1.00 0.00 C ATOM 239 C PHE A 17 -19.556 6.047 2.517 1.00 0.00 C ATOM 240 O PHE A 17 -19.551 6.868 1.602 1.00 0.00 O ATOM 241 CB PHE A 17 -19.489 6.599 4.966 1.00 0.00 C ATOM 242 CG PHE A 17 -18.634 7.821 4.780 1.00 0.00 C ATOM 243 CD1 PHE A 17 -19.163 9.089 4.968 1.00 0.00 C ATOM 244 CD2 PHE A 17 -17.301 7.701 4.417 1.00 0.00 C ATOM 245 CE1 PHE A 17 -18.377 10.214 4.797 1.00 0.00 C ATOM 246 CE2 PHE A 17 -16.512 8.820 4.245 1.00 0.00 C ATOM 247 CZ PHE A 17 -17.049 10.078 4.435 1.00 0.00 C ATOM 0 H PHE A 17 -21.087 4.745 5.004 1.00 0.00 H new ATOM 0 HA PHE A 17 -21.045 7.139 3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -20.109 6.733 5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -18.843 5.741 5.155 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -20.199 9.199 5.251 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -16.875 6.720 4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -18.799 11.197 4.946 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -15.475 8.712 3.962 1.00 0.00 H new ATOM 0 HZ PHE A 17 -16.433 10.955 4.301 1.00 0.00 H new ATOM 257 N GLN A 18 -18.869 4.909 2.463 1.00 0.00 N ATOM 258 CA GLN A 18 -18.018 4.595 1.322 1.00 0.00 C ATOM 259 C GLN A 18 -18.860 4.358 0.075 1.00 0.00 C ATOM 260 O GLN A 18 -18.417 4.636 -1.036 1.00 0.00 O ATOM 261 CB GLN A 18 -17.127 3.374 1.612 1.00 0.00 C ATOM 262 CG GLN A 18 -17.878 2.052 1.715 1.00 0.00 C ATOM 263 CD GLN A 18 -17.666 1.138 0.516 1.00 0.00 C ATOM 264 OE1 GLN A 18 -17.719 -0.082 0.642 1.00 0.00 O ATOM 265 NE2 GLN A 18 -17.424 1.714 -0.655 1.00 0.00 N ATOM 0 H GLN A 18 -18.885 4.195 3.191 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.367 5.451 1.144 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.378 3.291 0.824 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.590 3.546 2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -17.560 1.532 2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.943 2.256 1.823 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.387 2.731 -0.725 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.275 1.140 -1.485 1.00 0.00 H new ATOM 274 N LYS A 19 -20.076 3.856 0.264 1.00 0.00 N ATOM 275 CA LYS A 19 -20.964 3.589 -0.857 1.00 0.00 C ATOM 276 C LYS A 19 -21.324 4.875 -1.584 1.00 0.00 C ATOM 277 O LYS A 19 -21.190 4.962 -2.802 1.00 0.00 O ATOM 278 CB LYS A 19 -22.234 2.863 -0.399 1.00 0.00 C ATOM 279 CG LYS A 19 -22.031 1.373 -0.195 1.00 0.00 C ATOM 280 CD LYS A 19 -23.342 0.651 0.072 1.00 0.00 C ATOM 281 CE LYS A 19 -24.026 1.169 1.323 1.00 0.00 C ATOM 282 NZ LYS A 19 -25.268 0.413 1.629 1.00 0.00 N ATOM 0 H LYS A 19 -20.466 3.628 1.179 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.431 2.938 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.582 3.307 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -23.020 3.018 -1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -21.556 0.947 -1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -21.351 1.211 0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.006 0.775 -0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -23.154 -0.418 0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -23.340 1.098 2.167 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -24.266 2.225 1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -25.705 0.798 2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -25.933 0.501 0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -25.036 -0.590 1.777 1.00 0.00 H new ATOM 296 N ARG A 20 -21.757 5.880 -0.834 1.00 0.00 N ATOM 297 CA ARG A 20 -22.140 7.146 -1.440 1.00 0.00 C ATOM 298 C ARG A 20 -20.908 7.912 -1.919 1.00 0.00 C ATOM 299 O ARG A 20 -20.983 8.683 -2.878 1.00 0.00 O ATOM 300 CB ARG A 20 -22.962 8.000 -0.475 1.00 0.00 C ATOM 301 CG ARG A 20 -22.179 8.565 0.693 1.00 0.00 C ATOM 302 CD ARG A 20 -23.044 9.512 1.500 1.00 0.00 C ATOM 303 NE ARG A 20 -23.656 10.530 0.647 1.00 0.00 N ATOM 304 CZ ARG A 20 -24.315 11.593 1.095 1.00 0.00 C ATOM 305 NH1 ARG A 20 -24.404 11.831 2.397 1.00 0.00 N ATOM 306 NH2 ARG A 20 -24.871 12.430 0.232 1.00 0.00 N ATOM 0 H ARG A 20 -21.851 5.844 0.181 1.00 0.00 H new ATOM 0 HA ARG A 20 -22.766 6.923 -2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -23.407 8.826 -1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -23.783 7.398 -0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -21.826 7.753 1.329 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -21.297 9.090 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -23.823 8.948 2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -22.440 9.994 2.269 1.00 0.00 H new ATOM 0 HE ARG A 20 -23.571 10.416 -0.363 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -23.964 11.195 3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -24.912 12.650 2.732 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -24.792 12.257 -0.770 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -25.378 13.248 0.569 1.00 0.00 H new ATOM 320 N LEU A 21 -19.772 7.681 -1.261 1.00 0.00 N ATOM 321 CA LEU A 21 -18.520 8.328 -1.641 1.00 0.00 C ATOM 322 C LEU A 21 -18.042 7.827 -3.001 1.00 0.00 C ATOM 323 O LEU A 21 -17.741 8.617 -3.894 1.00 0.00 O ATOM 324 CB LEU A 21 -17.448 8.061 -0.580 1.00 0.00 C ATOM 325 CG LEU A 21 -16.024 8.449 -0.979 1.00 0.00 C ATOM 326 CD1 LEU A 21 -15.914 9.950 -1.184 1.00 0.00 C ATOM 327 CD2 LEU A 21 -15.029 7.975 0.069 1.00 0.00 C ATOM 0 H LEU A 21 -19.695 7.051 -0.463 1.00 0.00 H new ATOM 0 HA LEU A 21 -18.696 9.401 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -17.714 8.604 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.462 7.000 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.787 7.959 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.893 10.205 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -16.598 10.260 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.172 10.464 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.021 8.260 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.265 8.434 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.087 6.891 0.162 1.00 0.00 H new ATOM 339 N GLU A 22 -18.002 6.510 -3.157 1.00 0.00 N ATOM 340 CA GLU A 22 -17.640 5.901 -4.433 1.00 0.00 C ATOM 341 C GLU A 22 -18.680 6.233 -5.494 1.00 0.00 C ATOM 342 O GLU A 22 -18.355 6.380 -6.670 1.00 0.00 O ATOM 343 CB GLU A 22 -17.506 4.382 -4.288 1.00 0.00 C ATOM 344 CG GLU A 22 -16.336 3.946 -3.421 1.00 0.00 C ATOM 345 CD GLU A 22 -14.994 4.231 -4.062 1.00 0.00 C ATOM 346 OE1 GLU A 22 -14.535 5.390 -4.011 1.00 0.00 O ATOM 347 OE2 GLU A 22 -14.391 3.294 -4.623 1.00 0.00 O ATOM 0 H GLU A 22 -18.216 5.842 -2.416 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.677 6.308 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.428 3.985 -3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.396 3.941 -5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.391 4.458 -2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.418 2.878 -3.218 1.00 0.00 H new ATOM 354 N GLN A 23 -19.927 6.358 -5.057 1.00 0.00 N ATOM 355 CA GLN A 23 -21.036 6.685 -5.939 1.00 0.00 C ATOM 356 C GLN A 23 -20.828 8.058 -6.568 1.00 0.00 C ATOM 357 O GLN A 23 -20.787 8.195 -7.792 1.00 0.00 O ATOM 358 CB GLN A 23 -22.339 6.677 -5.144 1.00 0.00 C ATOM 359 CG GLN A 23 -23.591 6.716 -5.998 1.00 0.00 C ATOM 360 CD GLN A 23 -24.846 6.849 -5.163 1.00 0.00 C ATOM 361 OE1 GLN A 23 -25.322 7.953 -4.903 1.00 0.00 O ATOM 362 NE2 GLN A 23 -25.379 5.724 -4.714 1.00 0.00 N ATOM 0 H GLN A 23 -20.196 6.235 -4.081 1.00 0.00 H new ATOM 0 HA GLN A 23 -21.086 5.940 -6.733 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -22.366 5.783 -4.521 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -22.346 7.534 -4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -23.529 7.553 -6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -23.649 5.807 -6.597 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -24.954 4.828 -4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -26.215 5.753 -4.130 1.00 0.00 H new ATOM 371 N MET A 24 -20.678 9.075 -5.720 1.00 0.00 N ATOM 372 CA MET A 24 -20.484 10.440 -6.196 1.00 0.00 C ATOM 373 C MET A 24 -19.182 10.560 -6.979 1.00 0.00 C ATOM 374 O MET A 24 -19.125 11.247 -7.996 1.00 0.00 O ATOM 375 CB MET A 24 -20.501 11.446 -5.037 1.00 0.00 C ATOM 376 CG MET A 24 -19.405 11.238 -4.013 1.00 0.00 C ATOM 377 SD MET A 24 -19.448 12.466 -2.693 1.00 0.00 S ATOM 378 CE MET A 24 -19.149 13.973 -3.617 1.00 0.00 C ATOM 0 H MET A 24 -20.687 8.978 -4.705 1.00 0.00 H new ATOM 0 HA MET A 24 -21.315 10.676 -6.860 1.00 0.00 H new ATOM 0 HB2 MET A 24 -20.414 12.453 -5.445 1.00 0.00 H new ATOM 0 HB3 MET A 24 -21.467 11.387 -4.535 1.00 0.00 H new ATOM 0 HG2 MET A 24 -19.501 10.242 -3.581 1.00 0.00 H new ATOM 0 HG3 MET A 24 -18.436 11.278 -4.510 1.00 0.00 H new ATOM 0 HE1 MET A 24 -18.512 14.637 -3.033 1.00 0.00 H new ATOM 0 HE2 MET A 24 -18.656 13.731 -4.558 1.00 0.00 H new ATOM 0 HE3 MET A 24 -20.098 14.468 -3.822 1.00 0.00 H new ATOM 388 N LYS A 25 -18.147 9.876 -6.504 1.00 0.00 N ATOM 389 CA LYS A 25 -16.855 9.872 -7.172 1.00 0.00 C ATOM 390 C LYS A 25 -16.987 9.313 -8.584 1.00 0.00 C ATOM 391 O LYS A 25 -16.514 9.922 -9.544 1.00 0.00 O ATOM 392 CB LYS A 25 -15.851 9.053 -6.361 1.00 0.00 C ATOM 393 CG LYS A 25 -14.405 9.290 -6.752 1.00 0.00 C ATOM 394 CD LYS A 25 -14.093 10.775 -6.805 1.00 0.00 C ATOM 395 CE LYS A 25 -12.602 11.049 -6.759 1.00 0.00 C ATOM 396 NZ LYS A 25 -11.844 10.231 -7.743 1.00 0.00 N ATOM 0 H LYS A 25 -18.181 9.314 -5.653 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.493 10.897 -7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -15.974 9.289 -5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -16.080 7.994 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.746 8.801 -6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.209 8.838 -7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.511 11.200 -7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.579 11.277 -5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.424 12.106 -6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.229 10.844 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.086 10.806 -8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.429 9.407 -7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.487 9.906 -8.493 1.00 0.00 H new ATOM 410 N GLU A 26 -17.651 8.162 -8.698 1.00 0.00 N ATOM 411 CA GLU A 26 -17.923 7.539 -9.991 1.00 0.00 C ATOM 412 C GLU A 26 -18.623 8.525 -10.916 1.00 0.00 C ATOM 413 O GLU A 26 -18.197 8.739 -12.045 1.00 0.00 O ATOM 414 CB GLU A 26 -18.810 6.305 -9.803 1.00 0.00 C ATOM 415 CG GLU A 26 -19.279 5.662 -11.104 1.00 0.00 C ATOM 416 CD GLU A 26 -18.221 4.795 -11.758 1.00 0.00 C ATOM 417 OE1 GLU A 26 -17.429 5.313 -12.571 1.00 0.00 O ATOM 418 OE2 GLU A 26 -18.194 3.580 -11.473 1.00 0.00 O ATOM 0 H GLU A 26 -18.013 7.639 -7.901 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.974 7.240 -10.436 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.261 5.563 -9.223 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.684 6.587 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.163 5.056 -10.904 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -19.580 6.445 -11.801 1.00 0.00 H new ATOM 425 N LYS A 27 -19.684 9.137 -10.400 1.00 0.00 N ATOM 426 CA LYS A 27 -20.511 10.060 -11.169 1.00 0.00 C ATOM 427 C LYS A 27 -19.681 11.181 -11.780 1.00 0.00 C ATOM 428 O LYS A 27 -19.791 11.461 -12.973 1.00 0.00 O ATOM 429 CB LYS A 27 -21.609 10.641 -10.276 1.00 0.00 C ATOM 430 CG LYS A 27 -22.685 9.628 -9.911 1.00 0.00 C ATOM 431 CD LYS A 27 -23.679 10.183 -8.903 1.00 0.00 C ATOM 432 CE LYS A 27 -24.481 11.338 -9.476 1.00 0.00 C ATOM 433 NZ LYS A 27 -25.475 11.852 -8.501 1.00 0.00 N ATOM 0 H LYS A 27 -19.995 9.007 -9.437 1.00 0.00 H new ATOM 0 HA LYS A 27 -20.966 9.503 -11.988 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -21.158 11.027 -9.362 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -22.073 11.486 -10.785 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -23.216 9.324 -10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -22.216 8.734 -9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -24.358 9.390 -8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -23.145 10.518 -8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -23.805 12.143 -9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -24.994 11.012 -10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -26.136 12.494 -8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -26.003 11.055 -8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -24.983 12.368 -7.743 1.00 0.00 H new ATOM 447 N VAL A 28 -18.836 11.798 -10.963 1.00 0.00 N ATOM 448 CA VAL A 28 -18.033 12.927 -11.403 1.00 0.00 C ATOM 449 C VAL A 28 -17.044 12.509 -12.482 1.00 0.00 C ATOM 450 O VAL A 28 -16.934 13.149 -13.522 1.00 0.00 O ATOM 451 CB VAL A 28 -17.259 13.567 -10.230 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.404 14.725 -10.718 1.00 0.00 C ATOM 453 CG2 VAL A 28 -18.215 14.037 -9.144 1.00 0.00 C ATOM 0 H VAL A 28 -18.690 11.533 -9.989 1.00 0.00 H new ATOM 0 HA VAL A 28 -18.725 13.663 -11.812 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.603 12.807 -9.805 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.867 15.161 -9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.688 14.363 -11.456 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.042 15.482 -11.173 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.647 14.484 -8.328 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.900 14.777 -9.558 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.784 13.187 -8.767 1.00 0.00 H new ATOM 463 N MET A 29 -16.363 11.398 -12.252 1.00 0.00 N ATOM 464 CA MET A 29 -15.260 10.994 -13.121 1.00 0.00 C ATOM 465 C MET A 29 -15.776 10.159 -14.281 1.00 0.00 C ATOM 466 O MET A 29 -15.008 9.609 -15.066 1.00 0.00 O ATOM 467 CB MET A 29 -14.167 10.257 -12.339 1.00 0.00 C ATOM 468 CG MET A 29 -14.616 8.978 -11.660 1.00 0.00 C ATOM 469 SD MET A 29 -13.354 8.333 -10.546 1.00 0.00 S ATOM 470 CE MET A 29 -14.165 6.861 -9.930 1.00 0.00 C ATOM 0 H MET A 29 -16.550 10.761 -11.477 1.00 0.00 H new ATOM 0 HA MET A 29 -14.804 11.896 -13.530 1.00 0.00 H new ATOM 0 HB2 MET A 29 -13.350 10.021 -13.021 1.00 0.00 H new ATOM 0 HB3 MET A 29 -13.766 10.931 -11.582 1.00 0.00 H new ATOM 0 HG2 MET A 29 -15.533 9.166 -11.101 1.00 0.00 H new ATOM 0 HG3 MET A 29 -14.851 8.229 -12.416 1.00 0.00 H new ATOM 0 HE1 MET A 29 -13.441 6.242 -9.400 1.00 0.00 H new ATOM 0 HE2 MET A 29 -14.967 7.145 -9.249 1.00 0.00 H new ATOM 0 HE3 MET A 29 -14.581 6.298 -10.766 1.00 0.00 H new ATOM 480 N LYS A 30 -17.092 10.062 -14.360 1.00 0.00 N ATOM 481 CA LYS A 30 -17.766 9.392 -15.458 1.00 0.00 C ATOM 482 C LYS A 30 -18.335 10.426 -16.426 1.00 0.00 C ATOM 483 O LYS A 30 -18.355 10.218 -17.640 1.00 0.00 O ATOM 484 CB LYS A 30 -18.867 8.472 -14.886 1.00 0.00 C ATOM 485 CG LYS A 30 -20.074 8.243 -15.786 1.00 0.00 C ATOM 486 CD LYS A 30 -21.025 9.427 -15.733 1.00 0.00 C ATOM 487 CE LYS A 30 -21.972 9.369 -14.552 1.00 0.00 C ATOM 488 NZ LYS A 30 -22.929 10.508 -14.582 1.00 0.00 N ATOM 0 H LYS A 30 -17.726 10.448 -13.660 1.00 0.00 H new ATOM 0 HA LYS A 30 -17.061 8.776 -16.016 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -18.421 7.505 -14.655 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -19.215 8.896 -13.944 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -19.742 8.084 -16.812 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -20.597 7.338 -15.476 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -20.446 10.349 -15.684 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -21.604 9.463 -16.656 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -22.521 8.427 -14.567 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -21.403 9.392 -13.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -23.160 10.793 -13.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -22.499 11.310 -15.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -23.799 10.218 -15.073 1.00 0.00 H new ATOM 502 N ASP A 31 -18.779 11.548 -15.869 1.00 0.00 N ATOM 503 CA ASP A 31 -19.494 12.566 -16.625 1.00 0.00 C ATOM 504 C ASP A 31 -18.647 13.101 -17.771 1.00 0.00 C ATOM 505 O ASP A 31 -17.477 13.445 -17.591 1.00 0.00 O ATOM 506 CB ASP A 31 -19.916 13.695 -15.691 1.00 0.00 C ATOM 507 CG ASP A 31 -21.421 13.865 -15.630 1.00 0.00 C ATOM 508 OD1 ASP A 31 -22.105 12.961 -15.104 1.00 0.00 O ATOM 509 OD2 ASP A 31 -21.927 14.900 -16.108 1.00 0.00 O ATOM 0 H ASP A 31 -18.653 11.775 -14.883 1.00 0.00 H new ATOM 0 HA ASP A 31 -20.384 12.113 -17.062 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -19.535 13.495 -14.689 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.461 14.628 -16.025 1.00 0.00 H new ATOM 514 N GLN A 32 -19.254 13.164 -18.946 1.00 0.00 N ATOM 515 CA GLN A 32 -18.547 13.506 -20.178 1.00 0.00 C ATOM 516 C GLN A 32 -17.972 14.919 -20.132 1.00 0.00 C ATOM 517 O GLN A 32 -16.841 15.150 -20.564 1.00 0.00 O ATOM 518 CB GLN A 32 -19.492 13.368 -21.373 1.00 0.00 C ATOM 519 CG GLN A 32 -20.086 11.974 -21.526 1.00 0.00 C ATOM 520 CD GLN A 32 -19.039 10.912 -21.820 1.00 0.00 C ATOM 521 OE1 GLN A 32 -18.713 10.653 -22.978 1.00 0.00 O ATOM 522 NE2 GLN A 32 -18.516 10.281 -20.777 1.00 0.00 N ATOM 0 H GLN A 32 -20.249 12.980 -19.076 1.00 0.00 H new ATOM 0 HA GLN A 32 -17.712 12.813 -20.284 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -20.303 14.089 -21.269 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -18.951 13.625 -22.284 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -20.618 11.709 -20.612 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -20.821 11.984 -22.331 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -18.813 10.525 -19.832 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -17.817 9.552 -20.920 1.00 0.00 H new ATOM 531 N ASP A 33 -18.752 15.858 -19.607 1.00 0.00 N ATOM 532 CA ASP A 33 -18.322 17.251 -19.502 1.00 0.00 C ATOM 533 C ASP A 33 -17.070 17.351 -18.645 1.00 0.00 C ATOM 534 O ASP A 33 -16.149 18.117 -18.939 1.00 0.00 O ATOM 535 CB ASP A 33 -19.429 18.106 -18.879 1.00 0.00 C ATOM 536 CG ASP A 33 -20.779 17.861 -19.510 1.00 0.00 C ATOM 537 OD1 ASP A 33 -21.405 16.831 -19.183 1.00 0.00 O ATOM 538 OD2 ASP A 33 -21.224 18.692 -20.319 1.00 0.00 O ATOM 0 H ASP A 33 -19.689 15.680 -19.246 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.106 17.618 -20.505 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.488 17.895 -17.811 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.170 19.160 -18.982 1.00 0.00 H new ATOM 543 N VAL A 34 -17.046 16.552 -17.591 1.00 0.00 N ATOM 544 CA VAL A 34 -15.934 16.528 -16.657 1.00 0.00 C ATOM 545 C VAL A 34 -14.663 16.019 -17.343 1.00 0.00 C ATOM 546 O VAL A 34 -13.574 16.536 -17.106 1.00 0.00 O ATOM 547 CB VAL A 34 -16.281 15.653 -15.427 1.00 0.00 C ATOM 548 CG1 VAL A 34 -15.121 15.575 -14.449 1.00 0.00 C ATOM 549 CG2 VAL A 34 -17.525 16.189 -14.730 1.00 0.00 C ATOM 0 H VAL A 34 -17.797 15.902 -17.359 1.00 0.00 H new ATOM 0 HA VAL A 34 -15.749 17.546 -16.314 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.480 14.643 -15.785 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.403 14.953 -13.600 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.254 15.140 -14.946 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.873 16.577 -14.098 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -17.757 15.564 -13.868 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.344 17.212 -14.399 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -18.365 16.175 -15.424 1.00 0.00 H new ATOM 559 N GLN A 35 -14.819 15.031 -18.228 1.00 0.00 N ATOM 560 CA GLN A 35 -13.688 14.469 -18.973 1.00 0.00 C ATOM 561 C GLN A 35 -12.989 15.548 -19.788 1.00 0.00 C ATOM 562 O GLN A 35 -11.775 15.744 -19.681 1.00 0.00 O ATOM 563 CB GLN A 35 -14.162 13.382 -19.944 1.00 0.00 C ATOM 564 CG GLN A 35 -15.047 12.328 -19.318 1.00 0.00 C ATOM 565 CD GLN A 35 -14.336 11.511 -18.267 1.00 0.00 C ATOM 566 OE1 GLN A 35 -13.130 11.271 -18.350 1.00 0.00 O ATOM 567 NE2 GLN A 35 -15.081 11.096 -17.266 1.00 0.00 N ATOM 0 H GLN A 35 -15.719 14.603 -18.447 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.000 14.045 -18.241 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.704 13.855 -20.763 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.289 12.895 -20.379 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.916 12.810 -18.870 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.418 11.663 -20.098 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.076 11.321 -17.243 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.664 10.549 -16.513 1.00 0.00 H new ATOM 576 N ALA A 36 -13.774 16.244 -20.606 1.00 0.00 N ATOM 577 CA ALA A 36 -13.247 17.257 -21.513 1.00 0.00 C ATOM 578 C ALA A 36 -12.567 18.381 -20.748 1.00 0.00 C ATOM 579 O ALA A 36 -11.568 18.937 -21.197 1.00 0.00 O ATOM 580 CB ALA A 36 -14.360 17.809 -22.392 1.00 0.00 C ATOM 0 H ALA A 36 -14.785 16.123 -20.658 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.498 16.784 -22.148 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.952 18.564 -23.064 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.796 17.000 -22.978 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.130 18.259 -21.765 1.00 0.00 H new ATOM 586 N PHE A 37 -13.109 18.703 -19.584 1.00 0.00 N ATOM 587 CA PHE A 37 -12.544 19.743 -18.741 1.00 0.00 C ATOM 588 C PHE A 37 -11.233 19.281 -18.122 1.00 0.00 C ATOM 589 O PHE A 37 -10.256 20.034 -18.063 1.00 0.00 O ATOM 590 CB PHE A 37 -13.530 20.120 -17.643 1.00 0.00 C ATOM 591 CG PHE A 37 -13.047 21.248 -16.785 1.00 0.00 C ATOM 592 CD1 PHE A 37 -13.070 22.545 -17.264 1.00 0.00 C ATOM 593 CD2 PHE A 37 -12.578 21.014 -15.505 1.00 0.00 C ATOM 594 CE1 PHE A 37 -12.639 23.590 -16.482 1.00 0.00 C ATOM 595 CE2 PHE A 37 -12.143 22.058 -14.716 1.00 0.00 C ATOM 596 CZ PHE A 37 -12.177 23.349 -15.204 1.00 0.00 C ATOM 0 H PHE A 37 -13.943 18.257 -19.201 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.346 20.617 -19.361 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.482 20.397 -18.096 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -13.718 19.248 -17.016 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.431 22.739 -18.263 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.552 20.005 -15.120 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.662 24.599 -16.867 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.776 21.866 -13.718 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.842 24.169 -14.586 1.00 0.00 H new ATOM 606 N LEU A 38 -11.223 18.033 -17.667 1.00 0.00 N ATOM 607 CA LEU A 38 -10.056 17.444 -17.029 1.00 0.00 C ATOM 608 C LEU A 38 -8.854 17.444 -17.955 1.00 0.00 C ATOM 609 O LEU A 38 -7.741 17.763 -17.540 1.00 0.00 O ATOM 610 CB LEU A 38 -10.361 16.016 -16.584 1.00 0.00 C ATOM 611 CG LEU A 38 -10.523 15.835 -15.080 1.00 0.00 C ATOM 612 CD1 LEU A 38 -9.264 16.295 -14.368 1.00 0.00 C ATOM 613 CD2 LEU A 38 -11.729 16.604 -14.570 1.00 0.00 C ATOM 0 H LEU A 38 -12.023 17.404 -17.731 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.815 18.054 -16.158 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.276 15.685 -17.076 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.559 15.364 -16.930 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.684 14.777 -14.872 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.385 16.163 -13.293 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.415 15.705 -14.712 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.086 17.348 -14.587 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.824 16.459 -13.494 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.601 17.665 -14.784 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.629 16.240 -15.066 1.00 0.00 H new ATOM 625 N LYS A 39 -9.077 17.087 -19.209 1.00 0.00 N ATOM 626 CA LYS A 39 -7.991 17.038 -20.172 1.00 0.00 C ATOM 627 C LYS A 39 -7.657 18.438 -20.676 1.00 0.00 C ATOM 628 O LYS A 39 -6.531 18.704 -21.089 1.00 0.00 O ATOM 629 CB LYS A 39 -8.334 16.105 -21.337 1.00 0.00 C ATOM 630 CG LYS A 39 -9.589 16.487 -22.104 1.00 0.00 C ATOM 631 CD LYS A 39 -9.889 15.475 -23.198 1.00 0.00 C ATOM 632 CE LYS A 39 -8.779 15.426 -24.237 1.00 0.00 C ATOM 633 NZ LYS A 39 -8.966 14.301 -25.189 1.00 0.00 N ATOM 0 H LYS A 39 -9.991 16.829 -19.581 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.110 16.637 -19.671 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.493 16.085 -22.030 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.453 15.092 -20.952 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.434 16.548 -21.418 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.464 17.477 -22.544 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.017 14.487 -22.755 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.831 15.732 -23.683 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.753 16.367 -24.786 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.816 15.323 -23.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.190 14.300 -25.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.966 13.401 -24.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.873 14.413 -25.685 1.00 0.00 H new ATOM 647 N GLU A 40 -8.635 19.337 -20.621 1.00 0.00 N ATOM 648 CA GLU A 40 -8.425 20.719 -21.031 1.00 0.00 C ATOM 649 C GLU A 40 -7.436 21.402 -20.103 1.00 0.00 C ATOM 650 O GLU A 40 -6.418 21.938 -20.537 1.00 0.00 O ATOM 651 CB GLU A 40 -9.740 21.498 -21.010 1.00 0.00 C ATOM 652 CG GLU A 40 -9.625 22.884 -21.622 1.00 0.00 C ATOM 653 CD GLU A 40 -10.952 23.600 -21.725 1.00 0.00 C ATOM 654 OE1 GLU A 40 -11.371 24.235 -20.734 1.00 0.00 O ATOM 655 OE2 GLU A 40 -11.579 23.541 -22.807 1.00 0.00 O ATOM 0 H GLU A 40 -9.580 19.132 -20.296 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.029 20.707 -22.047 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.499 20.932 -21.550 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.084 21.590 -19.980 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.941 23.484 -21.022 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.186 22.800 -22.616 1.00 0.00 H new ATOM 662 N ASN A 41 -7.742 21.356 -18.820 1.00 0.00 N ATOM 663 CA ASN A 41 -6.962 22.065 -17.813 1.00 0.00 C ATOM 664 C ASN A 41 -6.049 21.115 -17.048 1.00 0.00 C ATOM 665 O ASN A 41 -5.715 21.370 -15.894 1.00 0.00 O ATOM 666 CB ASN A 41 -7.896 22.780 -16.829 1.00 0.00 C ATOM 667 CG ASN A 41 -8.580 23.992 -17.430 1.00 0.00 C ATOM 668 OD1 ASN A 41 -8.057 25.106 -17.374 1.00 0.00 O ATOM 669 ND2 ASN A 41 -9.760 23.789 -17.993 1.00 0.00 N ATOM 0 H ASN A 41 -8.532 20.831 -18.444 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.342 22.798 -18.329 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.654 22.078 -16.482 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.324 23.090 -15.954 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.271 24.571 -18.402 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.158 22.850 -18.019 1.00 0.00 H new ATOM 676 N GLU A 42 -5.612 20.049 -17.708 1.00 0.00 N ATOM 677 CA GLU A 42 -4.811 19.011 -17.060 1.00 0.00 C ATOM 678 C GLU A 42 -3.502 19.563 -16.504 1.00 0.00 C ATOM 679 O GLU A 42 -3.004 19.083 -15.489 1.00 0.00 O ATOM 680 CB GLU A 42 -4.505 17.875 -18.037 1.00 0.00 C ATOM 681 CG GLU A 42 -3.794 18.327 -19.299 1.00 0.00 C ATOM 682 CD GLU A 42 -3.099 17.188 -20.011 1.00 0.00 C ATOM 683 OE1 GLU A 42 -3.765 16.187 -20.340 1.00 0.00 O ATOM 684 OE2 GLU A 42 -1.878 17.292 -20.251 1.00 0.00 O ATOM 0 H GLU A 42 -5.799 19.878 -18.696 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.403 18.630 -16.228 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.890 17.130 -17.532 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.438 17.384 -18.313 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.516 18.787 -19.974 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.062 19.093 -19.045 1.00 0.00 H new ATOM 691 N GLU A 43 -2.947 20.566 -17.171 1.00 0.00 N ATOM 692 CA GLU A 43 -1.672 21.134 -16.763 1.00 0.00 C ATOM 693 C GLU A 43 -1.824 21.900 -15.457 1.00 0.00 C ATOM 694 O GLU A 43 -0.894 21.982 -14.652 1.00 0.00 O ATOM 695 CB GLU A 43 -1.135 22.059 -17.856 1.00 0.00 C ATOM 696 CG GLU A 43 0.291 22.526 -17.620 1.00 0.00 C ATOM 697 CD GLU A 43 1.284 21.386 -17.630 1.00 0.00 C ATOM 698 OE1 GLU A 43 1.518 20.807 -18.708 1.00 0.00 O ATOM 699 OE2 GLU A 43 1.838 21.060 -16.561 1.00 0.00 O ATOM 0 H GLU A 43 -3.360 21.002 -17.996 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.963 20.321 -16.608 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.184 21.541 -18.814 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.785 22.931 -17.932 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.565 23.249 -18.389 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.346 23.043 -16.662 1.00 0.00 H new ATOM 706 N VAL A 44 -3.014 22.432 -15.237 1.00 0.00 N ATOM 707 CA VAL A 44 -3.271 23.261 -14.070 1.00 0.00 C ATOM 708 C VAL A 44 -3.922 22.440 -12.961 1.00 0.00 C ATOM 709 O VAL A 44 -3.555 22.547 -11.793 1.00 0.00 O ATOM 710 CB VAL A 44 -4.177 24.455 -14.426 1.00 0.00 C ATOM 711 CG1 VAL A 44 -4.244 25.438 -13.266 1.00 0.00 C ATOM 712 CG2 VAL A 44 -3.686 25.140 -15.694 1.00 0.00 C ATOM 0 H VAL A 44 -3.819 22.305 -15.851 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.312 23.642 -13.719 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.184 24.082 -14.612 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.888 26.275 -13.535 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.649 24.936 -12.387 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.243 25.808 -13.044 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.339 25.981 -15.929 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.669 25.501 -15.542 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.698 24.429 -16.520 1.00 0.00 H new ATOM 722 N ILE A 45 -4.889 21.622 -13.341 1.00 0.00 N ATOM 723 CA ILE A 45 -5.607 20.783 -12.392 1.00 0.00 C ATOM 724 C ILE A 45 -4.740 19.636 -11.893 1.00 0.00 C ATOM 725 O ILE A 45 -3.948 19.060 -12.641 1.00 0.00 O ATOM 726 CB ILE A 45 -6.901 20.221 -13.014 1.00 0.00 C ATOM 727 CG1 ILE A 45 -7.770 21.374 -13.501 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.662 19.367 -12.007 1.00 0.00 C ATOM 729 CD1 ILE A 45 -9.030 20.944 -14.212 1.00 0.00 C ATOM 0 H ILE A 45 -5.198 21.520 -14.308 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.868 21.415 -11.543 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.639 19.584 -13.859 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.042 21.994 -12.647 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.182 21.998 -14.174 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.571 18.982 -12.470 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.035 18.534 -11.690 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.925 19.974 -11.140 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.590 21.825 -14.525 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.769 20.350 -15.088 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.643 20.346 -13.537 1.00 0.00 H new ATOM 741 N ASP A 46 -4.898 19.320 -10.618 1.00 0.00 N ATOM 742 CA ASP A 46 -4.161 18.240 -9.986 1.00 0.00 C ATOM 743 C ASP A 46 -5.132 17.202 -9.439 1.00 0.00 C ATOM 744 O ASP A 46 -6.326 17.471 -9.300 1.00 0.00 O ATOM 745 CB ASP A 46 -3.294 18.791 -8.848 1.00 0.00 C ATOM 746 CG ASP A 46 -2.450 17.733 -8.169 1.00 0.00 C ATOM 747 OD1 ASP A 46 -1.420 17.327 -8.740 1.00 0.00 O ATOM 748 OD2 ASP A 46 -2.825 17.299 -7.063 1.00 0.00 O ATOM 0 H ASP A 46 -5.541 19.806 -9.993 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.515 17.770 -10.728 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.640 19.569 -9.243 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.938 19.263 -8.106 1.00 0.00 H new ATOM 753 N GLN A 47 -4.612 16.030 -9.130 1.00 0.00 N ATOM 754 CA GLN A 47 -5.389 14.965 -8.507 1.00 0.00 C ATOM 755 C GLN A 47 -6.057 15.466 -7.229 1.00 0.00 C ATOM 756 O GLN A 47 -7.246 15.233 -6.993 1.00 0.00 O ATOM 757 CB GLN A 47 -4.462 13.801 -8.183 1.00 0.00 C ATOM 758 CG GLN A 47 -3.964 13.059 -9.413 1.00 0.00 C ATOM 759 CD GLN A 47 -2.710 12.257 -9.135 1.00 0.00 C ATOM 760 OE1 GLN A 47 -2.774 11.098 -8.724 1.00 0.00 O ATOM 761 NE2 GLN A 47 -1.559 12.863 -9.371 1.00 0.00 N ATOM 0 H GLN A 47 -3.637 15.785 -9.302 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.168 14.639 -9.196 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.605 14.175 -7.623 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.986 13.100 -7.533 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.747 12.391 -9.773 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.765 13.775 -10.210 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.549 13.825 -9.711 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.681 12.369 -9.213 1.00 0.00 H new ATOM 770 N LYS A 48 -5.285 16.183 -6.425 1.00 0.00 N ATOM 771 CA LYS A 48 -5.777 16.734 -5.175 1.00 0.00 C ATOM 772 C LYS A 48 -6.821 17.805 -5.437 1.00 0.00 C ATOM 773 O LYS A 48 -7.782 17.942 -4.690 1.00 0.00 O ATOM 774 CB LYS A 48 -4.618 17.325 -4.389 1.00 0.00 C ATOM 775 CG LYS A 48 -3.625 16.282 -3.905 1.00 0.00 C ATOM 776 CD LYS A 48 -2.444 16.921 -3.197 1.00 0.00 C ATOM 777 CE LYS A 48 -2.877 17.701 -1.967 1.00 0.00 C ATOM 778 NZ LYS A 48 -1.724 18.346 -1.293 1.00 0.00 N ATOM 0 H LYS A 48 -4.307 16.397 -6.621 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.240 15.934 -4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.097 18.050 -5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.011 17.869 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.125 15.590 -3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.269 15.697 -4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.733 16.148 -2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.925 17.587 -3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.602 18.462 -2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.378 17.031 -1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.058 18.869 -0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.044 17.618 -0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.261 19.004 -1.952 1.00 0.00 H new ATOM 792 N MET A 49 -6.614 18.560 -6.505 1.00 0.00 N ATOM 793 CA MET A 49 -7.549 19.599 -6.923 1.00 0.00 C ATOM 794 C MET A 49 -8.919 18.994 -7.220 1.00 0.00 C ATOM 795 O MET A 49 -9.953 19.602 -6.937 1.00 0.00 O ATOM 796 CB MET A 49 -7.012 20.305 -8.165 1.00 0.00 C ATOM 797 CG MET A 49 -7.672 21.632 -8.465 1.00 0.00 C ATOM 798 SD MET A 49 -6.874 22.469 -9.846 1.00 0.00 S ATOM 799 CE MET A 49 -7.833 23.973 -9.944 1.00 0.00 C ATOM 0 H MET A 49 -5.795 18.472 -7.107 1.00 0.00 H new ATOM 0 HA MET A 49 -7.656 20.322 -6.115 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.941 20.466 -8.042 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.139 19.647 -9.025 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.725 21.472 -8.695 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.632 22.268 -7.581 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.361 24.007 -10.897 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.556 23.998 -9.128 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.169 24.834 -9.866 1.00 0.00 H new ATOM 809 N ILE A 50 -8.911 17.792 -7.788 1.00 0.00 N ATOM 810 CA ILE A 50 -10.139 17.062 -8.082 1.00 0.00 C ATOM 811 C ILE A 50 -10.892 16.746 -6.799 1.00 0.00 C ATOM 812 O ILE A 50 -12.080 17.031 -6.683 1.00 0.00 O ATOM 813 CB ILE A 50 -9.845 15.750 -8.843 1.00 0.00 C ATOM 814 CG1 ILE A 50 -9.210 16.061 -10.200 1.00 0.00 C ATOM 815 CG2 ILE A 50 -11.116 14.929 -9.025 1.00 0.00 C ATOM 816 CD1 ILE A 50 -10.086 16.923 -11.091 1.00 0.00 C ATOM 0 H ILE A 50 -8.059 17.299 -8.056 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.755 17.700 -8.716 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.145 15.159 -8.252 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.258 16.567 -10.040 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.991 15.125 -10.714 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.882 14.011 -9.563 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.532 14.681 -8.048 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.844 15.507 -9.593 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.575 17.105 -12.037 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.029 16.410 -11.281 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.284 17.874 -10.596 1.00 0.00 H new ATOM 828 N GLU A 51 -10.185 16.168 -5.839 1.00 0.00 N ATOM 829 CA GLU A 51 -10.775 15.833 -4.548 1.00 0.00 C ATOM 830 C GLU A 51 -11.191 17.097 -3.803 1.00 0.00 C ATOM 831 O GLU A 51 -12.244 17.143 -3.166 1.00 0.00 O ATOM 832 CB GLU A 51 -9.780 15.036 -3.710 1.00 0.00 C ATOM 833 CG GLU A 51 -9.396 13.709 -4.338 1.00 0.00 C ATOM 834 CD GLU A 51 -8.246 13.037 -3.621 1.00 0.00 C ATOM 835 OE1 GLU A 51 -8.213 13.068 -2.374 1.00 0.00 O ATOM 836 OE2 GLU A 51 -7.369 12.462 -4.300 1.00 0.00 O ATOM 0 H GLU A 51 -9.200 15.920 -5.929 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.663 15.226 -4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.881 15.633 -3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.209 14.854 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.260 13.045 -4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.124 13.870 -5.381 1.00 0.00 H new ATOM 843 N LYS A 52 -10.354 18.121 -3.909 1.00 0.00 N ATOM 844 CA LYS A 52 -10.584 19.406 -3.257 1.00 0.00 C ATOM 845 C LYS A 52 -11.875 20.049 -3.748 1.00 0.00 C ATOM 846 O LYS A 52 -12.657 20.584 -2.961 1.00 0.00 O ATOM 847 CB LYS A 52 -9.398 20.334 -3.551 1.00 0.00 C ATOM 848 CG LYS A 52 -9.421 21.656 -2.801 1.00 0.00 C ATOM 849 CD LYS A 52 -9.093 21.469 -1.329 1.00 0.00 C ATOM 850 CE LYS A 52 -8.772 22.796 -0.657 1.00 0.00 C ATOM 851 NZ LYS A 52 -7.656 23.504 -1.341 1.00 0.00 N ATOM 0 H LYS A 52 -9.492 18.084 -4.452 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.677 19.243 -2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.475 19.809 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.373 20.540 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.703 22.342 -3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.405 22.114 -2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.937 20.999 -0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.244 20.793 -1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.660 23.429 -0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.507 22.621 0.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.187 24.144 -0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.968 22.808 -1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.032 24.055 -2.139 1.00 0.00 H new ATOM 865 N SER A 53 -12.095 19.984 -5.052 1.00 0.00 N ATOM 866 CA SER A 53 -13.239 20.632 -5.668 1.00 0.00 C ATOM 867 C SER A 53 -14.279 19.604 -6.106 1.00 0.00 C ATOM 868 O SER A 53 -15.109 19.881 -6.974 1.00 0.00 O ATOM 869 CB SER A 53 -12.774 21.455 -6.870 1.00 0.00 C ATOM 870 OG SER A 53 -11.664 22.275 -6.529 1.00 0.00 O ATOM 0 H SER A 53 -11.492 19.486 -5.706 1.00 0.00 H new ATOM 0 HA SER A 53 -13.704 21.290 -4.934 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.500 20.788 -7.687 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.594 22.078 -7.228 1.00 0.00 H new ATOM 0 HG SER A 53 -10.844 21.739 -6.546 1.00 0.00 H new ATOM 876 N LEU A 54 -14.253 18.428 -5.485 1.00 0.00 N ATOM 877 CA LEU A 54 -15.180 17.358 -5.833 1.00 0.00 C ATOM 878 C LEU A 54 -16.604 17.779 -5.501 1.00 0.00 C ATOM 879 O LEU A 54 -17.559 17.314 -6.113 1.00 0.00 O ATOM 880 CB LEU A 54 -14.823 16.067 -5.086 1.00 0.00 C ATOM 881 CG LEU A 54 -15.545 14.804 -5.573 1.00 0.00 C ATOM 882 CD1 LEU A 54 -15.187 14.503 -7.018 1.00 0.00 C ATOM 883 CD2 LEU A 54 -15.209 13.614 -4.686 1.00 0.00 C ATOM 0 H LEU A 54 -13.599 18.193 -4.738 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.104 17.167 -6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.748 15.905 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.044 16.206 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 54 -16.618 14.986 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.710 13.603 -7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.482 15.342 -7.648 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.111 14.347 -7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.732 12.730 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.134 13.435 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.520 13.824 -3.663 1.00 0.00 H new ATOM 895 N ASN A 55 -16.729 18.677 -4.533 1.00 0.00 N ATOM 896 CA ASN A 55 -18.025 19.231 -4.158 1.00 0.00 C ATOM 897 C ASN A 55 -18.572 20.107 -5.289 1.00 0.00 C ATOM 898 O ASN A 55 -19.757 20.047 -5.615 1.00 0.00 O ATOM 899 CB ASN A 55 -17.916 20.031 -2.846 1.00 0.00 C ATOM 900 CG ASN A 55 -16.972 21.223 -2.933 1.00 0.00 C ATOM 901 OD1 ASN A 55 -16.003 21.220 -3.696 1.00 0.00 O ATOM 902 ND2 ASN A 55 -17.235 22.245 -2.135 1.00 0.00 N ATOM 0 H ASN A 55 -15.945 19.039 -3.990 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.721 18.409 -3.992 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -18.908 20.384 -2.562 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -17.575 19.366 -2.052 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -16.627 23.064 -2.138 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -18.045 22.214 -1.516 1.00 0.00 H new ATOM 909 N LYS A 56 -17.689 20.894 -5.898 1.00 0.00 N ATOM 910 CA LYS A 56 -18.044 21.729 -7.043 1.00 0.00 C ATOM 911 C LYS A 56 -18.365 20.860 -8.249 1.00 0.00 C ATOM 912 O LYS A 56 -19.405 21.015 -8.885 1.00 0.00 O ATOM 913 CB LYS A 56 -16.886 22.672 -7.391 1.00 0.00 C ATOM 914 CG LYS A 56 -16.669 23.792 -6.386 1.00 0.00 C ATOM 915 CD LYS A 56 -17.660 24.929 -6.597 1.00 0.00 C ATOM 916 CE LYS A 56 -17.366 26.106 -5.681 1.00 0.00 C ATOM 917 NZ LYS A 56 -18.154 27.315 -6.047 1.00 0.00 N ATOM 0 H LYS A 56 -16.712 20.971 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.922 22.318 -6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.969 22.088 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -17.072 23.110 -8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.773 23.400 -5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.652 24.173 -6.477 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -17.622 25.257 -7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -18.672 24.569 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -17.589 25.827 -4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.302 26.341 -5.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.860 28.115 -5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.987 27.548 -7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -19.166 27.127 -5.899 1.00 0.00 H new ATOM 931 N LEU A 57 -17.456 19.935 -8.545 1.00 0.00 N ATOM 932 CA LEU A 57 -17.599 19.035 -9.680 1.00 0.00 C ATOM 933 C LEU A 57 -18.887 18.225 -9.577 1.00 0.00 C ATOM 934 O LEU A 57 -19.583 18.017 -10.571 1.00 0.00 O ATOM 935 CB LEU A 57 -16.401 18.083 -9.750 1.00 0.00 C ATOM 936 CG LEU A 57 -15.030 18.754 -9.874 1.00 0.00 C ATOM 937 CD1 LEU A 57 -13.927 17.709 -9.825 1.00 0.00 C ATOM 938 CD2 LEU A 57 -14.940 19.559 -11.160 1.00 0.00 C ATOM 0 H LEU A 57 -16.603 19.790 -8.005 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.639 19.639 -10.586 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.401 17.460 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.538 17.417 -10.602 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.903 19.437 -9.034 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.957 18.199 -9.914 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.976 17.172 -8.878 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.055 17.006 -10.648 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.958 20.027 -11.228 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.087 18.898 -12.014 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -15.711 20.330 -11.161 1.00 0.00 H new ATOM 950 N TYR A 58 -19.205 17.784 -8.368 1.00 0.00 N ATOM 951 CA TYR A 58 -20.373 16.950 -8.149 1.00 0.00 C ATOM 952 C TYR A 58 -21.661 17.753 -8.291 1.00 0.00 C ATOM 953 O TYR A 58 -22.603 17.312 -8.948 1.00 0.00 O ATOM 954 CB TYR A 58 -20.308 16.293 -6.773 1.00 0.00 C ATOM 955 CG TYR A 58 -21.390 15.267 -6.565 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.513 14.197 -7.435 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.291 15.378 -5.518 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.510 13.262 -7.274 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.289 14.443 -5.345 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.396 13.389 -6.225 1.00 0.00 C ATOM 961 OH TYR A 58 -24.402 12.464 -6.059 1.00 0.00 O ATOM 0 H TYR A 58 -18.669 17.991 -7.525 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.376 16.172 -8.912 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.335 15.819 -6.648 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.390 17.061 -6.004 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -20.815 14.094 -8.253 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.210 16.206 -4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -22.598 12.436 -7.964 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -23.984 14.537 -4.523 1.00 0.00 H new ATOM 0 HH TYR A 58 -24.936 12.700 -5.272 1.00 0.00 H new ATOM 971 N GLU A 59 -21.702 18.931 -7.680 1.00 0.00 N ATOM 972 CA GLU A 59 -22.876 19.793 -7.771 1.00 0.00 C ATOM 973 C GLU A 59 -23.114 20.206 -9.220 1.00 0.00 C ATOM 974 O GLU A 59 -24.253 20.350 -9.667 1.00 0.00 O ATOM 975 CB GLU A 59 -22.697 21.027 -6.885 1.00 0.00 C ATOM 976 CG GLU A 59 -23.929 21.912 -6.808 1.00 0.00 C ATOM 977 CD GLU A 59 -23.741 23.075 -5.862 1.00 0.00 C ATOM 978 OE1 GLU A 59 -23.215 24.123 -6.290 1.00 0.00 O ATOM 979 OE2 GLU A 59 -24.113 22.947 -4.676 1.00 0.00 O ATOM 0 H GLU A 59 -20.940 19.311 -7.118 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.747 19.239 -7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.430 20.704 -5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.861 21.616 -7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -24.165 22.290 -7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.782 21.316 -6.483 1.00 0.00 H new ATOM 986 N TYR A 60 -22.019 20.387 -9.943 1.00 0.00 N ATOM 987 CA TYR A 60 -22.058 20.715 -11.358 1.00 0.00 C ATOM 988 C TYR A 60 -22.834 19.664 -12.150 1.00 0.00 C ATOM 989 O TYR A 60 -23.769 19.990 -12.880 1.00 0.00 O ATOM 990 CB TYR A 60 -20.623 20.820 -11.884 1.00 0.00 C ATOM 991 CG TYR A 60 -20.507 20.931 -13.388 1.00 0.00 C ATOM 992 CD1 TYR A 60 -20.735 22.135 -14.031 1.00 0.00 C ATOM 993 CD2 TYR A 60 -20.150 19.831 -14.161 1.00 0.00 C ATOM 994 CE1 TYR A 60 -20.616 22.241 -15.401 1.00 0.00 C ATOM 995 CE2 TYR A 60 -20.025 19.933 -15.534 1.00 0.00 C ATOM 996 CZ TYR A 60 -20.260 21.141 -16.149 1.00 0.00 C ATOM 997 OH TYR A 60 -20.125 21.259 -17.514 1.00 0.00 O ATOM 0 H TYR A 60 -21.076 20.310 -9.562 1.00 0.00 H new ATOM 0 HA TYR A 60 -22.572 21.668 -11.484 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -20.148 21.690 -11.431 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -20.065 19.944 -11.554 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -21.010 23.004 -13.452 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -19.967 18.881 -13.680 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -20.802 23.187 -15.887 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -19.745 19.070 -16.120 1.00 0.00 H new ATOM 0 HH TYR A 60 -20.540 22.095 -17.813 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.449 18.406 -11.992 1.00 0.00 N ATOM 1008 CA ILE A 61 -23.028 17.327 -12.780 1.00 0.00 C ATOM 1009 C ILE A 61 -24.452 16.974 -12.342 1.00 0.00 C ATOM 1010 O ILE A 61 -25.258 16.531 -13.163 1.00 0.00 O ATOM 1011 CB ILE A 61 -22.151 16.060 -12.741 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.092 15.484 -11.325 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -20.751 16.379 -13.246 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -21.380 14.156 -11.241 1.00 0.00 C ATOM 0 H ILE A 61 -21.738 18.107 -11.325 1.00 0.00 H new ATOM 0 HA ILE A 61 -23.072 17.701 -13.803 1.00 0.00 H new ATOM 0 HB ILE A 61 -22.597 15.309 -13.393 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -21.590 16.198 -10.672 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.108 15.367 -10.947 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.139 15.478 -13.215 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -20.808 16.743 -14.272 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.302 17.145 -12.614 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -21.377 13.809 -10.208 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -21.895 13.427 -11.867 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.353 14.271 -11.588 1.00 0.00 H new ATOM 1026 N GLU A 62 -24.761 17.149 -11.058 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.081 16.784 -10.546 1.00 0.00 C ATOM 1028 C GLU A 62 -27.128 17.842 -10.890 1.00 0.00 C ATOM 1029 O GLU A 62 -28.330 17.567 -10.857 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.048 16.552 -9.032 1.00 0.00 C ATOM 1031 CG GLU A 62 -25.684 17.778 -8.216 1.00 0.00 C ATOM 1032 CD GLU A 62 -25.978 17.588 -6.745 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -25.408 16.664 -6.134 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -26.814 18.341 -6.203 1.00 0.00 O ATOM 0 H GLU A 62 -24.125 17.536 -10.361 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.363 15.851 -11.033 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -27.026 16.194 -8.710 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.332 15.760 -8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.625 18.000 -8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.239 18.639 -8.588 1.00 0.00 H new ATOM 1041 N GLN A 63 -26.675 19.052 -11.201 1.00 0.00 N ATOM 1042 CA GLN A 63 -27.578 20.111 -11.629 1.00 0.00 C ATOM 1043 C GLN A 63 -28.080 19.860 -13.046 1.00 0.00 C ATOM 1044 O GLN A 63 -27.757 18.844 -13.666 1.00 0.00 O ATOM 1045 CB GLN A 63 -26.894 21.480 -11.545 1.00 0.00 C ATOM 1046 CG GLN A 63 -26.815 22.032 -10.132 1.00 0.00 C ATOM 1047 CD GLN A 63 -26.093 23.362 -10.070 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -26.703 24.423 -10.210 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -24.789 23.316 -9.856 1.00 0.00 N ATOM 0 H GLN A 63 -25.692 19.322 -11.165 1.00 0.00 H new ATOM 0 HA GLN A 63 -28.434 20.110 -10.954 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.886 21.399 -11.952 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -27.436 22.187 -12.173 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -27.823 22.150 -9.734 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -26.302 21.313 -9.492 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.322 22.416 -9.745 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -24.250 24.180 -9.801 1.00 0.00 H new ATOM 1058 N SER A 64 -28.876 20.787 -13.550 1.00 0.00 N ATOM 1059 CA SER A 64 -29.459 20.652 -14.871 1.00 0.00 C ATOM 1060 C SER A 64 -28.386 20.831 -15.942 1.00 0.00 C ATOM 1061 O SER A 64 -27.809 21.911 -16.082 1.00 0.00 O ATOM 1062 CB SER A 64 -30.586 21.675 -15.052 1.00 0.00 C ATOM 1063 OG SER A 64 -31.337 21.425 -16.228 1.00 0.00 O ATOM 0 H SER A 64 -29.133 21.644 -13.061 1.00 0.00 H new ATOM 0 HA SER A 64 -29.880 19.652 -14.975 1.00 0.00 H new ATOM 0 HB2 SER A 64 -31.246 21.646 -14.185 1.00 0.00 H new ATOM 0 HB3 SER A 64 -30.163 22.679 -15.097 1.00 0.00 H new ATOM 0 HG SER A 64 -31.607 22.277 -16.631 1.00 0.00 H new ATOM 1069 N LYS A 65 -28.119 19.754 -16.673 1.00 0.00 N ATOM 1070 CA LYS A 65 -27.114 19.753 -17.727 1.00 0.00 C ATOM 1071 C LYS A 65 -27.529 20.701 -18.843 1.00 0.00 C ATOM 1072 O LYS A 65 -26.728 21.481 -19.354 1.00 0.00 O ATOM 1073 CB LYS A 65 -26.957 18.337 -18.287 1.00 0.00 C ATOM 1074 CG LYS A 65 -25.827 18.187 -19.293 1.00 0.00 C ATOM 1075 CD LYS A 65 -24.468 18.256 -18.620 1.00 0.00 C ATOM 1076 CE LYS A 65 -24.278 17.112 -17.635 1.00 0.00 C ATOM 1077 NZ LYS A 65 -22.901 17.078 -17.088 1.00 0.00 N ATOM 0 H LYS A 65 -28.593 18.859 -16.551 1.00 0.00 H new ATOM 0 HA LYS A 65 -26.163 20.086 -17.312 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -26.786 17.648 -17.460 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -27.892 18.040 -18.761 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -25.927 17.235 -19.815 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -25.902 18.972 -20.045 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -23.684 18.221 -19.376 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -24.366 19.208 -18.099 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -24.991 17.215 -16.817 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -24.495 16.166 -18.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -22.844 16.362 -16.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -22.232 16.837 -17.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -22.660 18.011 -16.697 1.00 0.00 H new ATOM 1091 N ASN A 66 -28.795 20.619 -19.215 1.00 0.00 N ATOM 1092 CA ASN A 66 -29.348 21.495 -20.229 1.00 0.00 C ATOM 1093 C ASN A 66 -30.087 22.648 -19.570 1.00 0.00 C ATOM 1094 O ASN A 66 -29.901 22.910 -18.387 1.00 0.00 O ATOM 1095 CB ASN A 66 -30.285 20.715 -21.151 1.00 0.00 C ATOM 1096 CG ASN A 66 -29.687 20.481 -22.525 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -28.977 21.338 -23.059 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -29.963 19.324 -23.102 1.00 0.00 N ATOM 0 H ASN A 66 -29.461 19.951 -18.827 1.00 0.00 H new ATOM 0 HA ASN A 66 -28.534 21.899 -20.830 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -30.523 19.755 -20.694 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -31.223 21.260 -21.255 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -29.584 19.111 -24.025 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -30.555 18.644 -22.624 1.00 0.00 H new ATOM 1105 N CYS A 67 -30.920 23.335 -20.334 1.00 0.00 N ATOM 1106 CA CYS A 67 -31.691 24.450 -19.804 1.00 0.00 C ATOM 1107 C CYS A 67 -33.006 24.520 -20.549 1.00 0.00 C ATOM 1108 O CYS A 67 -33.083 24.077 -21.696 1.00 0.00 O ATOM 1109 CB CYS A 67 -30.940 25.777 -19.941 1.00 0.00 C ATOM 1110 SG CYS A 67 -31.072 26.554 -21.587 1.00 0.00 S ATOM 0 H CYS A 67 -31.080 23.141 -21.323 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.861 24.285 -18.740 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -31.319 26.473 -19.193 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -29.887 25.609 -19.716 1.00 0.00 H new ATOM 0 HG CYS A 67 -31.059 25.633 -22.504 1.00 0.00 H new ATOM 1115 N SER A 68 -34.002 25.127 -19.937 1.00 0.00 N ATOM 1116 CA SER A 68 -35.371 25.100 -20.463 1.00 0.00 C ATOM 1117 C SER A 68 -35.449 25.769 -21.833 1.00 0.00 C ATOM 1118 O SER A 68 -36.341 25.488 -22.632 1.00 0.00 O ATOM 1119 CB SER A 68 -36.315 25.795 -19.485 1.00 0.00 C ATOM 1120 OG SER A 68 -36.003 25.440 -18.153 1.00 0.00 O ATOM 0 H SER A 68 -33.898 25.651 -19.068 1.00 0.00 H new ATOM 0 HA SER A 68 -35.672 24.059 -20.579 1.00 0.00 H new ATOM 0 HB2 SER A 68 -36.241 26.876 -19.606 1.00 0.00 H new ATOM 0 HB3 SER A 68 -37.346 25.519 -19.708 1.00 0.00 H new ATOM 0 HG SER A 68 -35.369 26.088 -17.782 1.00 0.00 H new ATOM 1126 N TYR A 69 -34.499 26.655 -22.095 1.00 0.00 N ATOM 1127 CA TYR A 69 -34.392 27.339 -23.377 1.00 0.00 C ATOM 1128 C TYR A 69 -34.138 26.348 -24.515 1.00 0.00 C ATOM 1129 O TYR A 69 -34.361 26.654 -25.682 1.00 0.00 O ATOM 1130 CB TYR A 69 -33.239 28.338 -23.310 1.00 0.00 C ATOM 1131 CG TYR A 69 -33.370 29.520 -24.237 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -32.978 29.439 -25.566 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -33.872 30.726 -23.774 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -33.083 30.529 -26.407 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -33.984 31.820 -24.608 1.00 0.00 C ATOM 1136 CZ TYR A 69 -33.588 31.717 -25.924 1.00 0.00 C ATOM 1137 OH TYR A 69 -33.687 32.808 -26.756 1.00 0.00 O ATOM 0 H TYR A 69 -33.779 26.921 -21.423 1.00 0.00 H new ATOM 0 HA TYR A 69 -35.332 27.853 -23.577 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -33.154 28.704 -22.287 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -32.310 27.815 -23.540 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -32.585 28.509 -25.948 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -34.181 30.811 -22.743 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -32.771 30.451 -27.438 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -34.380 32.752 -24.231 1.00 0.00 H new ATOM 0 HH TYR A 69 -34.265 33.483 -26.343 1.00 0.00 H new ATOM 1147 N CYS A 70 -33.654 25.162 -24.170 1.00 0.00 N ATOM 1148 CA CYS A 70 -33.298 24.176 -25.182 1.00 0.00 C ATOM 1149 C CYS A 70 -33.947 22.817 -24.921 1.00 0.00 C ATOM 1150 O CYS A 70 -34.151 22.042 -25.852 1.00 0.00 O ATOM 1151 CB CYS A 70 -31.780 24.017 -25.267 1.00 0.00 C ATOM 1152 SG CYS A 70 -30.986 23.469 -23.719 1.00 0.00 S ATOM 0 H CYS A 70 -33.500 24.861 -23.208 1.00 0.00 H new ATOM 0 HA CYS A 70 -33.679 24.548 -26.133 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -31.547 23.299 -26.053 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -31.344 24.970 -25.566 1.00 0.00 H new ATOM 0 HG CYS A 70 -30.126 22.530 -23.981 1.00 0.00 H new ATOM 1157 N SER A 71 -34.269 22.526 -23.668 1.00 0.00 N ATOM 1158 CA SER A 71 -34.799 21.220 -23.315 1.00 0.00 C ATOM 1159 C SER A 71 -36.296 21.285 -23.022 1.00 0.00 C ATOM 1160 O SER A 71 -36.937 22.321 -23.234 1.00 0.00 O ATOM 1161 CB SER A 71 -34.036 20.655 -22.117 1.00 0.00 C ATOM 1162 OG SER A 71 -34.049 21.556 -21.024 1.00 0.00 O ATOM 0 H SER A 71 -34.173 23.173 -22.885 1.00 0.00 H new ATOM 0 HA SER A 71 -34.663 20.555 -24.168 1.00 0.00 H new ATOM 0 HB2 SER A 71 -34.481 19.707 -21.814 1.00 0.00 H new ATOM 0 HB3 SER A 71 -33.006 20.446 -22.406 1.00 0.00 H new ATOM 0 HG SER A 71 -34.511 21.143 -20.265 1.00 0.00 H new ATOM 1168 N GLU A 72 -36.840 20.181 -22.530 1.00 0.00 N ATOM 1169 CA GLU A 72 -38.268 20.063 -22.290 1.00 0.00 C ATOM 1170 C GLU A 72 -38.562 20.094 -20.787 1.00 0.00 C ATOM 1171 O GLU A 72 -39.640 19.697 -20.340 1.00 0.00 O ATOM 1172 CB GLU A 72 -38.774 18.755 -22.911 1.00 0.00 C ATOM 1173 CG GLU A 72 -40.279 18.700 -23.116 1.00 0.00 C ATOM 1174 CD GLU A 72 -40.783 19.804 -24.021 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -40.414 19.821 -25.214 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -41.561 20.657 -23.548 1.00 0.00 O ATOM 0 H GLU A 72 -36.306 19.347 -22.288 1.00 0.00 H new ATOM 0 HA GLU A 72 -38.785 20.905 -22.751 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -38.283 18.610 -23.873 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -38.476 17.924 -22.272 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -40.549 17.734 -23.542 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -40.777 18.772 -22.149 1.00 0.00 H new ATOM 1183 N ASP A 73 -37.593 20.568 -20.005 1.00 0.00 N ATOM 1184 CA ASP A 73 -37.772 20.678 -18.562 1.00 0.00 C ATOM 1185 C ASP A 73 -38.786 21.760 -18.251 1.00 0.00 C ATOM 1186 O ASP A 73 -38.619 22.914 -18.641 1.00 0.00 O ATOM 1187 CB ASP A 73 -36.456 21.009 -17.849 1.00 0.00 C ATOM 1188 CG ASP A 73 -35.391 19.943 -18.021 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -34.756 19.896 -19.097 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -35.182 19.146 -17.083 1.00 0.00 O ATOM 0 H ASP A 73 -36.683 20.879 -20.345 1.00 0.00 H new ATOM 0 HA ASP A 73 -38.125 19.712 -18.201 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -36.075 21.957 -18.228 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -36.653 21.147 -16.786 1.00 0.00 H new ATOM 1195 N GLU A 74 -39.844 21.374 -17.568 1.00 0.00 N ATOM 1196 CA GLU A 74 -40.893 22.300 -17.181 1.00 0.00 C ATOM 1197 C GLU A 74 -40.474 23.073 -15.951 1.00 0.00 C ATOM 1198 O GLU A 74 -40.711 24.276 -15.842 1.00 0.00 O ATOM 1199 CB GLU A 74 -42.170 21.524 -16.901 1.00 0.00 C ATOM 1200 CG GLU A 74 -43.392 22.381 -16.648 1.00 0.00 C ATOM 1201 CD GLU A 74 -44.625 21.539 -16.424 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -45.135 20.960 -17.401 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -45.080 21.434 -15.264 1.00 0.00 O ATOM 0 H GLU A 74 -40.003 20.413 -17.265 1.00 0.00 H new ATOM 0 HA GLU A 74 -41.070 23.007 -17.992 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -42.373 20.868 -17.748 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -42.007 20.884 -16.034 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -43.220 23.013 -15.777 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -43.554 23.045 -17.497 1.00 0.00 H new ATOM 1210 N ASN A 75 -39.838 22.375 -15.032 1.00 0.00 N ATOM 1211 CA ASN A 75 -39.361 22.991 -13.813 1.00 0.00 C ATOM 1212 C ASN A 75 -37.873 23.230 -13.929 1.00 0.00 C ATOM 1213 O ASN A 75 -37.067 22.382 -13.547 1.00 0.00 O ATOM 1214 CB ASN A 75 -39.679 22.134 -12.582 1.00 0.00 C ATOM 1215 CG ASN A 75 -41.167 22.057 -12.295 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -41.921 22.979 -12.606 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -41.602 20.959 -11.694 1.00 0.00 N ATOM 0 H ASN A 75 -39.640 21.377 -15.108 1.00 0.00 H new ATOM 0 HA ASN A 75 -39.876 23.942 -13.679 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -39.289 21.127 -12.734 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -39.166 22.547 -11.714 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -42.593 20.857 -11.474 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -40.946 20.216 -11.452 1.00 0.00 H new ATOM 1224 N CYS A 76 -37.531 24.362 -14.530 1.00 0.00 N ATOM 1225 CA CYS A 76 -36.139 24.754 -14.729 1.00 0.00 C ATOM 1226 C CYS A 76 -35.324 24.601 -13.448 1.00 0.00 C ATOM 1227 O CYS A 76 -35.569 25.279 -12.446 1.00 0.00 O ATOM 1228 CB CYS A 76 -36.053 26.199 -15.240 1.00 0.00 C ATOM 1229 SG CYS A 76 -36.908 27.419 -14.211 1.00 0.00 S ATOM 0 H CYS A 76 -38.207 25.034 -14.893 1.00 0.00 H new ATOM 0 HA CYS A 76 -35.715 24.086 -15.479 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -35.003 26.481 -15.317 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -36.468 26.239 -16.247 1.00 0.00 H new ATOM 0 HG CYS A 76 -36.744 27.120 -12.957 1.00 0.00 H new ATOM 1235 N ASN A 77 -34.368 23.682 -13.483 1.00 0.00 N ATOM 1236 CA ASN A 77 -33.450 23.488 -12.369 1.00 0.00 C ATOM 1237 C ASN A 77 -32.259 24.420 -12.511 1.00 0.00 C ATOM 1238 O ASN A 77 -31.414 24.512 -11.621 1.00 0.00 O ATOM 1239 CB ASN A 77 -32.979 22.032 -12.297 1.00 0.00 C ATOM 1240 CG ASN A 77 -34.016 21.121 -11.670 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -34.750 21.527 -10.771 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -34.092 19.890 -12.142 1.00 0.00 N ATOM 0 H ASN A 77 -34.208 23.058 -14.273 1.00 0.00 H new ATOM 0 HA ASN A 77 -33.976 23.720 -11.443 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -32.747 21.678 -13.301 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -32.056 21.979 -11.720 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -34.778 19.239 -11.760 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -33.465 19.591 -12.889 1.00 0.00 H new ATOM 1249 N ASN A 78 -32.204 25.102 -13.645 1.00 0.00 N ATOM 1250 CA ASN A 78 -31.175 26.096 -13.900 1.00 0.00 C ATOM 1251 C ASN A 78 -31.564 27.409 -13.250 1.00 0.00 C ATOM 1252 O ASN A 78 -32.585 28.002 -13.604 1.00 0.00 O ATOM 1253 CB ASN A 78 -30.994 26.318 -15.406 1.00 0.00 C ATOM 1254 CG ASN A 78 -30.697 25.040 -16.164 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -31.611 24.343 -16.603 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -29.421 24.727 -16.332 1.00 0.00 N ATOM 0 H ASN A 78 -32.868 24.982 -14.410 1.00 0.00 H new ATOM 0 HA ASN A 78 -30.236 25.733 -13.481 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -31.898 26.772 -15.811 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -30.182 27.026 -15.568 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -29.166 23.881 -16.841 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -28.693 25.332 -15.952 1.00 0.00 H new ATOM 1263 N LEU A 79 -30.771 27.855 -12.288 1.00 0.00 N ATOM 1264 CA LEU A 79 -31.005 29.146 -11.669 1.00 0.00 C ATOM 1265 C LEU A 79 -30.901 30.237 -12.726 1.00 0.00 C ATOM 1266 O LEU A 79 -31.825 31.026 -12.917 1.00 0.00 O ATOM 1267 CB LEU A 79 -30.000 29.393 -10.543 1.00 0.00 C ATOM 1268 CG LEU A 79 -30.213 30.686 -9.756 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -31.585 30.691 -9.101 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -29.121 30.854 -8.713 1.00 0.00 C ATOM 0 H LEU A 79 -29.967 27.345 -11.923 1.00 0.00 H new ATOM 0 HA LEU A 79 -32.005 29.159 -11.235 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -30.041 28.553 -9.850 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -28.997 29.406 -10.969 1.00 0.00 H new ATOM 0 HG LEU A 79 -30.162 31.527 -10.448 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -31.719 31.619 -8.545 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -32.355 30.613 -9.869 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -31.666 29.844 -8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -29.285 31.779 -8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -29.143 30.010 -8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -28.150 30.894 -9.206 1.00 0.00 H new ATOM 1282 N LEU A 80 -29.769 30.263 -13.416 1.00 0.00 N ATOM 1283 CA LEU A 80 -29.597 31.145 -14.556 1.00 0.00 C ATOM 1284 C LEU A 80 -30.114 30.458 -15.816 1.00 0.00 C ATOM 1285 O LEU A 80 -29.365 29.765 -16.506 1.00 0.00 O ATOM 1286 CB LEU A 80 -28.127 31.554 -14.737 1.00 0.00 C ATOM 1287 CG LEU A 80 -27.544 32.462 -13.645 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -27.285 31.687 -12.360 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -26.267 33.118 -14.138 1.00 0.00 C ATOM 0 H LEU A 80 -28.958 29.682 -13.204 1.00 0.00 H new ATOM 0 HA LEU A 80 -30.170 32.054 -14.374 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -27.522 30.649 -14.791 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -28.027 32.062 -15.696 1.00 0.00 H new ATOM 0 HG LEU A 80 -28.277 33.237 -13.422 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -26.872 32.358 -11.607 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -28.221 31.264 -11.995 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -26.576 30.883 -12.557 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -25.862 33.760 -13.356 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -25.537 32.349 -14.391 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -26.484 33.717 -15.023 1.00 0.00 H new ATOM 1301 N GLU A 81 -31.403 30.615 -16.082 1.00 0.00 N ATOM 1302 CA GLU A 81 -32.023 30.007 -17.251 1.00 0.00 C ATOM 1303 C GLU A 81 -31.570 30.728 -18.517 1.00 0.00 C ATOM 1304 O GLU A 81 -31.286 31.926 -18.495 1.00 0.00 O ATOM 1305 CB GLU A 81 -33.551 30.024 -17.112 1.00 0.00 C ATOM 1306 CG GLU A 81 -34.301 29.427 -18.295 1.00 0.00 C ATOM 1307 CD GLU A 81 -33.785 28.058 -18.708 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -33.905 27.101 -17.919 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -33.271 27.933 -19.845 1.00 0.00 O ATOM 0 H GLU A 81 -32.041 31.160 -15.502 1.00 0.00 H new ATOM 0 HA GLU A 81 -31.708 28.966 -17.324 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -33.827 29.477 -16.210 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -33.879 31.054 -16.973 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -35.358 29.348 -18.043 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -34.226 30.107 -19.144 1.00 0.00 H new ATOM 1316 N GLY A 82 -31.496 29.987 -19.613 1.00 0.00 N ATOM 1317 CA GLY A 82 -30.910 30.504 -20.831 1.00 0.00 C ATOM 1318 C GLY A 82 -29.414 30.275 -20.853 1.00 0.00 C ATOM 1319 O GLY A 82 -28.759 30.449 -21.881 1.00 0.00 O ATOM 0 H GLY A 82 -31.835 29.027 -19.679 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -31.368 30.020 -21.693 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -31.120 31.570 -20.915 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.890 29.835 -19.719 1.00 0.00 N ATOM 1324 CA TYR A 83 -27.472 29.563 -19.565 1.00 0.00 C ATOM 1325 C TYR A 83 -27.273 28.119 -19.124 1.00 0.00 C ATOM 1326 O TYR A 83 -28.236 27.435 -18.772 1.00 0.00 O ATOM 1327 CB TYR A 83 -26.855 30.503 -18.520 1.00 0.00 C ATOM 1328 CG TYR A 83 -26.991 31.979 -18.828 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -28.155 32.673 -18.516 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -25.948 32.682 -19.415 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -28.273 34.023 -18.786 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -26.059 34.032 -19.684 1.00 0.00 C ATOM 1333 CZ TYR A 83 -27.223 34.696 -19.369 1.00 0.00 C ATOM 1334 OH TYR A 83 -27.336 36.044 -19.636 1.00 0.00 O ATOM 0 H TYR A 83 -29.439 29.657 -18.878 1.00 0.00 H new ATOM 0 HA TYR A 83 -26.980 29.728 -20.523 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -27.320 30.304 -17.555 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -25.796 30.264 -18.419 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -28.979 32.149 -18.056 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -25.034 32.164 -19.666 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -29.185 34.548 -18.541 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -25.237 34.564 -20.139 1.00 0.00 H new ATOM 0 HH TYR A 83 -26.507 36.367 -20.047 1.00 0.00 H new ATOM 1344 N HIS A 84 -26.035 27.653 -19.178 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.673 26.349 -18.628 1.00 0.00 C ATOM 1346 C HIS A 84 -24.488 26.512 -17.693 1.00 0.00 C ATOM 1347 O HIS A 84 -23.674 27.423 -17.873 1.00 0.00 O ATOM 1348 CB HIS A 84 -25.281 25.343 -19.717 1.00 0.00 C ATOM 1349 CG HIS A 84 -26.379 24.897 -20.629 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -26.352 23.700 -21.317 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -27.486 25.546 -21.060 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -27.409 23.676 -22.137 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -28.120 24.775 -22.016 1.00 0.00 N ATOM 0 H HIS A 84 -25.257 28.160 -19.600 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.549 25.967 -18.105 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.490 25.785 -20.323 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.858 24.462 -19.234 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -25.651 22.965 -21.218 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -27.820 26.512 -20.712 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -27.646 22.863 -22.808 1.00 0.00 H new ATOM 1361 N PRO A 85 -24.375 25.647 -16.682 1.00 0.00 N ATOM 1362 CA PRO A 85 -23.224 25.643 -15.794 1.00 0.00 C ATOM 1363 C PRO A 85 -21.995 25.049 -16.478 1.00 0.00 C ATOM 1364 O PRO A 85 -22.106 24.112 -17.264 1.00 0.00 O ATOM 1365 CB PRO A 85 -23.678 24.768 -14.623 1.00 0.00 C ATOM 1366 CG PRO A 85 -24.709 23.857 -15.199 1.00 0.00 C ATOM 1367 CD PRO A 85 -25.360 24.607 -16.331 1.00 0.00 C ATOM 0 HA PRO A 85 -22.927 26.646 -15.486 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -22.844 24.205 -14.204 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -24.092 25.372 -13.816 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -24.254 22.934 -15.557 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -25.445 23.578 -14.445 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -25.567 23.952 -17.177 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -26.311 25.044 -16.026 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.833 25.615 -16.198 1.00 0.00 N ATOM 1376 CA LYS A 86 -19.587 25.106 -16.739 1.00 0.00 C ATOM 1377 C LYS A 86 -18.503 25.170 -15.681 1.00 0.00 C ATOM 1378 O LYS A 86 -18.563 25.995 -14.771 1.00 0.00 O ATOM 1379 CB LYS A 86 -19.154 25.892 -17.980 1.00 0.00 C ATOM 1380 CG LYS A 86 -18.789 27.350 -17.714 1.00 0.00 C ATOM 1381 CD LYS A 86 -18.245 28.013 -18.970 1.00 0.00 C ATOM 1382 CE LYS A 86 -17.663 29.388 -18.688 1.00 0.00 C ATOM 1383 NZ LYS A 86 -18.709 30.407 -18.386 1.00 0.00 N ATOM 0 H LYS A 86 -20.728 26.431 -15.596 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.746 24.070 -17.037 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -18.296 25.392 -18.429 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -19.960 25.861 -18.713 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.668 27.891 -17.365 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.045 27.403 -16.919 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.476 27.378 -19.410 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.044 28.103 -19.706 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.974 29.320 -17.846 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.081 29.715 -19.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.342 31.085 -17.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -18.964 30.912 -19.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -19.552 29.935 -18.000 1.00 0.00 H new ATOM 1397 N LEU A 87 -17.525 24.297 -15.802 1.00 0.00 N ATOM 1398 CA LEU A 87 -16.431 24.246 -14.851 1.00 0.00 C ATOM 1399 C LEU A 87 -15.350 25.248 -15.224 1.00 0.00 C ATOM 1400 O LEU A 87 -15.085 25.472 -16.405 1.00 0.00 O ATOM 1401 CB LEU A 87 -15.844 22.834 -14.804 1.00 0.00 C ATOM 1402 CG LEU A 87 -16.798 21.751 -14.309 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -16.171 20.375 -14.472 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -17.174 22.006 -12.857 1.00 0.00 C ATOM 0 H LEU A 87 -17.464 23.609 -16.553 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.817 24.505 -13.865 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.503 22.566 -15.804 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.965 22.844 -14.159 1.00 0.00 H new ATOM 0 HG LEU A 87 -17.707 21.782 -14.910 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -16.865 19.614 -14.114 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.950 20.198 -15.525 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.248 20.325 -13.894 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -17.855 21.227 -12.515 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -16.275 21.997 -12.241 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -17.662 22.977 -12.773 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.749 25.863 -14.216 1.00 0.00 N ATOM 1417 CA VAL A 88 -13.624 26.768 -14.424 1.00 0.00 C ATOM 1418 C VAL A 88 -12.540 26.498 -13.394 1.00 0.00 C ATOM 1419 O VAL A 88 -12.830 26.088 -12.272 1.00 0.00 O ATOM 1420 CB VAL A 88 -14.034 28.258 -14.333 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -15.007 28.624 -15.436 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -14.635 28.580 -12.972 1.00 0.00 C ATOM 0 H VAL A 88 -15.022 25.752 -13.240 1.00 0.00 H new ATOM 0 HA VAL A 88 -13.254 26.580 -15.432 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.130 28.854 -14.459 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.278 29.676 -15.348 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.540 28.449 -16.405 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.903 28.010 -15.349 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.914 29.633 -12.937 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -15.520 27.965 -12.811 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.902 28.373 -12.192 1.00 0.00 H new ATOM 1432 N VAL A 89 -11.297 26.715 -13.774 1.00 0.00 N ATOM 1433 CA VAL A 89 -10.198 26.569 -12.843 1.00 0.00 C ATOM 1434 C VAL A 89 -9.705 27.936 -12.391 1.00 0.00 C ATOM 1435 O VAL A 89 -9.188 28.726 -13.184 1.00 0.00 O ATOM 1436 CB VAL A 89 -9.045 25.722 -13.435 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -7.724 26.003 -12.737 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -9.388 24.257 -13.324 1.00 0.00 C ATOM 0 H VAL A 89 -11.024 26.992 -14.717 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.568 26.028 -11.972 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.927 25.996 -14.483 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.940 25.389 -13.181 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.469 27.056 -12.852 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.815 25.765 -11.677 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.576 23.661 -13.741 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.530 23.995 -12.275 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.306 24.056 -13.875 1.00 0.00 H new ATOM 1448 N ASN A 90 -9.892 28.208 -11.112 1.00 0.00 N ATOM 1449 CA ASN A 90 -9.497 29.475 -10.524 1.00 0.00 C ATOM 1450 C ASN A 90 -8.385 29.245 -9.514 1.00 0.00 C ATOM 1451 O ASN A 90 -8.643 28.885 -8.364 1.00 0.00 O ATOM 1452 CB ASN A 90 -10.696 30.153 -9.847 1.00 0.00 C ATOM 1453 CG ASN A 90 -11.711 30.696 -10.836 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -11.368 31.078 -11.956 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -12.967 30.749 -10.425 1.00 0.00 N ATOM 0 H ASN A 90 -10.321 27.558 -10.453 1.00 0.00 H new ATOM 0 HA ASN A 90 -9.134 30.132 -11.314 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -11.187 29.436 -9.189 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.337 30.969 -9.219 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.691 31.116 -11.043 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -13.212 30.423 -9.490 1.00 0.00 H new ATOM 1462 N GLY A 91 -7.150 29.427 -9.955 1.00 0.00 N ATOM 1463 CA GLY A 91 -6.010 29.171 -9.098 1.00 0.00 C ATOM 1464 C GLY A 91 -5.793 27.687 -8.888 1.00 0.00 C ATOM 1465 O GLY A 91 -5.448 26.968 -9.823 1.00 0.00 O ATOM 0 H GLY A 91 -6.916 29.748 -10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.116 29.611 -9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.162 29.657 -8.134 1.00 0.00 H new ATOM 1469 N ARG A 92 -6.007 27.222 -7.668 1.00 0.00 N ATOM 1470 CA ARG A 92 -5.894 25.805 -7.360 1.00 0.00 C ATOM 1471 C ARG A 92 -7.237 25.257 -6.896 1.00 0.00 C ATOM 1472 O ARG A 92 -7.317 24.172 -6.317 1.00 0.00 O ATOM 1473 CB ARG A 92 -4.819 25.565 -6.301 1.00 0.00 C ATOM 1474 CG ARG A 92 -3.403 25.649 -6.849 1.00 0.00 C ATOM 1475 CD ARG A 92 -3.177 24.609 -7.939 1.00 0.00 C ATOM 1476 NE ARG A 92 -1.799 24.591 -8.425 1.00 0.00 N ATOM 1477 CZ ARG A 92 -1.266 23.567 -9.092 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -1.996 22.502 -9.382 1.00 0.00 N ATOM 1479 NH2 ARG A 92 -0.002 23.604 -9.478 1.00 0.00 N ATOM 0 H ARG A 92 -6.261 27.807 -6.872 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.599 25.277 -8.267 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.936 26.298 -5.503 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.971 24.582 -5.856 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.223 26.646 -7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.687 25.496 -6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.435 23.623 -7.553 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.849 24.811 -8.773 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.213 25.406 -8.244 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.974 22.460 -9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.581 21.723 -9.893 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.572 24.420 -9.266 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.399 22.817 -9.988 1.00 0.00 H new ATOM 1493 N SER A 93 -8.292 26.014 -7.163 1.00 0.00 N ATOM 1494 CA SER A 93 -9.644 25.595 -6.838 1.00 0.00 C ATOM 1495 C SER A 93 -10.519 25.620 -8.092 1.00 0.00 C ATOM 1496 O SER A 93 -10.439 26.544 -8.904 1.00 0.00 O ATOM 1497 CB SER A 93 -10.227 26.506 -5.754 1.00 0.00 C ATOM 1498 OG SER A 93 -9.342 26.603 -4.648 1.00 0.00 O ATOM 0 H SER A 93 -8.234 26.930 -7.608 1.00 0.00 H new ATOM 0 HA SER A 93 -9.619 24.574 -6.457 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.411 27.498 -6.166 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.189 26.115 -5.423 1.00 0.00 H new ATOM 0 HG SER A 93 -9.732 27.191 -3.968 1.00 0.00 H new ATOM 1504 N ILE A 94 -11.332 24.590 -8.263 1.00 0.00 N ATOM 1505 CA ILE A 94 -12.223 24.507 -9.408 1.00 0.00 C ATOM 1506 C ILE A 94 -13.590 25.060 -9.023 1.00 0.00 C ATOM 1507 O ILE A 94 -14.103 24.761 -7.948 1.00 0.00 O ATOM 1508 CB ILE A 94 -12.351 23.051 -9.913 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -10.956 22.480 -10.180 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -13.213 22.990 -11.169 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -10.944 21.013 -10.544 1.00 0.00 C ATOM 0 H ILE A 94 -11.393 23.799 -7.622 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.806 25.101 -10.221 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.840 22.448 -9.147 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.493 23.047 -10.988 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.340 22.627 -9.293 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.290 21.957 -11.508 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.208 23.374 -10.946 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.758 23.596 -11.953 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.918 20.689 -10.717 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.375 20.432 -9.729 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.530 20.858 -11.450 1.00 0.00 H new ATOM 1523 N ASP A 95 -14.167 25.880 -9.888 1.00 0.00 N ATOM 1524 CA ASP A 95 -15.402 26.574 -9.567 1.00 0.00 C ATOM 1525 C ASP A 95 -16.437 26.367 -10.660 1.00 0.00 C ATOM 1526 O ASP A 95 -16.170 25.718 -11.676 1.00 0.00 O ATOM 1527 CB ASP A 95 -15.148 28.069 -9.381 1.00 0.00 C ATOM 1528 CG ASP A 95 -15.941 28.636 -8.222 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -17.190 28.583 -8.268 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -15.324 29.114 -7.252 1.00 0.00 O ATOM 0 H ASP A 95 -13.799 26.080 -10.818 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.784 26.159 -8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.085 28.238 -9.211 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.413 28.599 -10.296 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.611 26.934 -10.454 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.713 26.764 -11.373 1.00 0.00 C ATOM 1537 C ILE A 96 -19.136 28.109 -11.944 1.00 0.00 C ATOM 1538 O ILE A 96 -19.333 29.084 -11.215 1.00 0.00 O ATOM 1539 CB ILE A 96 -19.905 26.084 -10.679 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -19.455 24.740 -10.103 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -21.057 25.894 -11.658 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -20.444 24.120 -9.150 1.00 0.00 C ATOM 0 H ILE A 96 -17.824 27.522 -9.648 1.00 0.00 H new ATOM 0 HA ILE A 96 -18.380 26.123 -12.189 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.260 26.719 -9.867 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -19.274 24.047 -10.924 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.505 24.877 -9.586 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.891 25.411 -11.149 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -21.376 26.865 -12.037 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -20.729 25.270 -12.489 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -20.052 23.170 -8.786 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.608 24.792 -8.308 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -21.388 23.948 -9.666 1.00 0.00 H new ATOM 1554 N GLU A 97 -19.249 28.145 -13.251 1.00 0.00 N ATOM 1555 CA GLU A 97 -19.600 29.350 -13.973 1.00 0.00 C ATOM 1556 C GLU A 97 -20.805 29.071 -14.867 1.00 0.00 C ATOM 1557 O GLU A 97 -21.282 27.943 -14.924 1.00 0.00 O ATOM 1558 CB GLU A 97 -18.394 29.794 -14.804 1.00 0.00 C ATOM 1559 CG GLU A 97 -18.041 31.258 -14.646 1.00 0.00 C ATOM 1560 CD GLU A 97 -19.016 32.161 -15.357 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -20.093 32.441 -14.792 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -18.725 32.560 -16.502 1.00 0.00 O ATOM 0 H GLU A 97 -19.099 27.333 -13.850 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.865 30.148 -13.279 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.531 29.191 -14.523 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.596 29.591 -15.856 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -18.020 31.512 -13.586 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.038 31.432 -15.035 1.00 0.00 H new ATOM 1569 N TYR A 98 -21.303 30.091 -15.544 1.00 0.00 N ATOM 1570 CA TYR A 98 -22.412 29.919 -16.476 1.00 0.00 C ATOM 1571 C TYR A 98 -22.079 30.532 -17.829 1.00 0.00 C ATOM 1572 O TYR A 98 -21.298 31.477 -17.916 1.00 0.00 O ATOM 1573 CB TYR A 98 -23.689 30.547 -15.913 1.00 0.00 C ATOM 1574 CG TYR A 98 -24.594 29.564 -15.204 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -24.359 29.190 -13.886 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -25.690 29.006 -15.856 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -25.189 28.292 -13.240 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -26.523 28.111 -15.217 1.00 0.00 C ATOM 1579 CZ TYR A 98 -26.271 27.755 -13.912 1.00 0.00 C ATOM 1580 OH TYR A 98 -27.101 26.855 -13.281 1.00 0.00 O ATOM 0 H TYR A 98 -20.959 31.048 -15.468 1.00 0.00 H new ATOM 0 HA TYR A 98 -22.578 28.850 -16.611 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -23.416 31.341 -15.218 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -24.243 31.013 -16.728 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -23.515 29.607 -13.358 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -25.892 29.279 -16.881 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -24.993 28.012 -12.216 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -27.370 27.691 -15.739 1.00 0.00 H new ATOM 0 HH TYR A 98 -27.811 26.578 -13.897 1.00 0.00 H new ATOM 1590 N TYR A 99 -22.641 29.963 -18.883 1.00 0.00 N ATOM 1591 CA TYR A 99 -22.471 30.496 -20.228 1.00 0.00 C ATOM 1592 C TYR A 99 -23.784 30.406 -20.986 1.00 0.00 C ATOM 1593 O TYR A 99 -24.613 29.537 -20.696 1.00 0.00 O ATOM 1594 CB TYR A 99 -21.369 29.746 -20.988 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.661 28.279 -21.220 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -21.350 27.337 -20.256 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -22.240 27.841 -22.404 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -21.608 26.000 -20.456 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -22.506 26.501 -22.614 1.00 0.00 C ATOM 1600 CZ TYR A 99 -22.186 25.584 -21.636 1.00 0.00 C ATOM 1601 OH TYR A 99 -22.450 24.249 -21.839 1.00 0.00 O ATOM 0 H TYR A 99 -23.223 29.127 -18.834 1.00 0.00 H new ATOM 0 HA TYR A 99 -22.170 31.541 -20.147 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -21.214 30.231 -21.952 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -20.435 29.835 -20.433 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -20.896 27.657 -19.329 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -22.486 28.559 -23.173 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -21.358 25.279 -19.691 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -22.961 26.175 -23.538 1.00 0.00 H new ATOM 0 HH TYR A 99 -22.859 24.127 -22.721 1.00 0.00 H new ATOM 1611 N GLU A 100 -23.973 31.300 -21.943 1.00 0.00 N ATOM 1612 CA GLU A 100 -25.201 31.345 -22.719 1.00 0.00 C ATOM 1613 C GLU A 100 -25.415 30.047 -23.490 1.00 0.00 C ATOM 1614 O GLU A 100 -24.489 29.511 -24.097 1.00 0.00 O ATOM 1615 CB GLU A 100 -25.183 32.524 -23.696 1.00 0.00 C ATOM 1616 CG GLU A 100 -24.876 33.862 -23.045 1.00 0.00 C ATOM 1617 CD GLU A 100 -23.397 34.199 -23.060 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -22.631 33.621 -22.261 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -22.994 35.055 -23.876 1.00 0.00 O ATOM 0 H GLU A 100 -23.286 32.009 -22.202 1.00 0.00 H new ATOM 0 HA GLU A 100 -26.025 31.474 -22.018 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -24.441 32.330 -24.470 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -26.152 32.587 -24.192 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -25.428 34.647 -23.562 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -25.230 33.849 -22.014 1.00 0.00 H new ATOM 1626 N CYS A 101 -26.640 29.536 -23.429 1.00 0.00 N ATOM 1627 CA CYS A 101 -27.035 28.357 -24.190 1.00 0.00 C ATOM 1628 C CYS A 101 -26.717 28.548 -25.676 1.00 0.00 C ATOM 1629 O CYS A 101 -27.201 29.490 -26.295 1.00 0.00 O ATOM 1630 CB CYS A 101 -28.538 28.124 -24.004 1.00 0.00 C ATOM 1631 SG CYS A 101 -29.193 26.617 -24.785 1.00 0.00 S ATOM 0 H CYS A 101 -27.385 29.926 -22.852 1.00 0.00 H new ATOM 0 HA CYS A 101 -26.479 27.492 -23.828 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -28.753 28.083 -22.936 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -29.075 28.984 -24.405 1.00 0.00 H new ATOM 0 HG CYS A 101 -28.977 25.597 -24.009 1.00 0.00 H new ATOM 1636 N PRO A 102 -25.922 27.638 -26.270 1.00 0.00 N ATOM 1637 CA PRO A 102 -25.539 27.718 -27.690 1.00 0.00 C ATOM 1638 C PRO A 102 -26.751 27.686 -28.616 1.00 0.00 C ATOM 1639 O PRO A 102 -26.718 28.211 -29.725 1.00 0.00 O ATOM 1640 CB PRO A 102 -24.664 26.476 -27.905 1.00 0.00 C ATOM 1641 CG PRO A 102 -24.976 25.575 -26.759 1.00 0.00 C ATOM 1642 CD PRO A 102 -25.313 26.476 -25.608 1.00 0.00 C ATOM 0 HA PRO A 102 -25.027 28.653 -27.919 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -24.890 25.995 -28.857 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -23.606 26.738 -27.923 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -25.811 24.916 -26.996 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -24.125 24.938 -26.520 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -26.003 26.000 -24.911 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -24.426 26.754 -25.039 1.00 0.00 H new ATOM 1650 N VAL A 103 -27.830 27.087 -28.128 1.00 0.00 N ATOM 1651 CA VAL A 103 -29.079 26.987 -28.879 1.00 0.00 C ATOM 1652 C VAL A 103 -29.722 28.364 -29.053 1.00 0.00 C ATOM 1653 O VAL A 103 -30.548 28.574 -29.944 1.00 0.00 O ATOM 1654 CB VAL A 103 -30.066 26.036 -28.164 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -31.352 25.871 -28.958 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -29.412 24.685 -27.924 1.00 0.00 C ATOM 0 H VAL A 103 -27.866 26.657 -27.204 1.00 0.00 H new ATOM 0 HA VAL A 103 -28.846 26.583 -29.864 1.00 0.00 H new ATOM 0 HB VAL A 103 -30.325 26.480 -27.203 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -32.023 25.196 -28.427 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -31.833 26.842 -29.077 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -31.123 25.456 -29.940 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -30.117 24.024 -27.420 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -29.122 24.246 -28.879 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -28.527 24.815 -27.301 1.00 0.00 H new ATOM 1666 N LYS A 104 -29.327 29.308 -28.203 1.00 0.00 N ATOM 1667 CA LYS A 104 -29.831 30.672 -28.284 1.00 0.00 C ATOM 1668 C LYS A 104 -29.149 31.409 -29.429 1.00 0.00 C ATOM 1669 O LYS A 104 -29.630 32.437 -29.907 1.00 0.00 O ATOM 1670 CB LYS A 104 -29.590 31.408 -26.966 1.00 0.00 C ATOM 1671 CG LYS A 104 -30.209 32.794 -26.926 1.00 0.00 C ATOM 1672 CD LYS A 104 -29.924 33.495 -25.612 1.00 0.00 C ATOM 1673 CE LYS A 104 -30.581 34.861 -25.571 1.00 0.00 C ATOM 1674 NZ LYS A 104 -32.064 34.767 -25.603 1.00 0.00 N ATOM 0 H LYS A 104 -28.658 29.151 -27.449 1.00 0.00 H new ATOM 0 HA LYS A 104 -30.904 30.639 -28.471 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -29.996 30.814 -26.147 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -28.517 31.493 -26.797 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -29.819 33.391 -27.750 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -31.286 32.716 -27.071 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -30.289 32.887 -24.785 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -28.847 33.601 -25.478 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -30.270 35.386 -24.667 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -30.237 35.454 -26.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -32.440 35.440 -26.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -32.345 33.801 -25.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -32.447 34.994 -24.663 1.00 0.00 H new