USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 740 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 53 GLN : amide:sc= -6.06! C(o=-14!,f=-19!) USER MOD Set 1.2: A 99 GLN : amide:sc= -4.72! C(o=-14!,f=-10!) USER MOD Set 1.3: A 102 TYR OH : rot 12:sc= -3.2! USER MOD Set 2.1: A 35 LYS NZ :NH3+ 178:sc= 0.869 (180deg=0.874) USER MOD Set 2.2: A 75 MET CE :methyl -145:sc= -0.245 (180deg=-1.12) USER MOD Set 3.1: A 30 SER OG : rot 56:sc= -0.093! USER MOD Set 3.2: A 31 GLN : amide:sc= -0.213 X(o=-1.3,f=-1) USER MOD Set 3.3: A 33 THR OG1 : rot 180:sc= -0.987 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 52 TYR OH : rot -120:sc= -0.924 USER MOD Single : A 57 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.23) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0726 USER MOD Single : A 65 LYS NZ :NH3+ 170:sc= -0.0688 (180deg=-0.14) USER MOD Single : A 69 SER OG : rot 86:sc= 0.0779 USER MOD Single : A 70 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.0072) USER MOD Single : A 73 GLN : amide:sc= -6.01! K(o=-6!,f=-3) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -2.73! K(o=-2.7!,f=-1) USER MOD Single : A 80 ASN : amide:sc= -0.0208 K(o=-0.021,f=-1.7) USER MOD Single : A 84 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.5!) USER MOD Single : A 85 THR OG1 : rot 62:sc= 0.642 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 28:sc= -0.464 USER MOD Single : A 95 ASN : amide:sc= -10.5! C(o=-11!,f=-21!) USER MOD Single : A 97 LYS NZ :NH3+ -150:sc= -0.333 (180deg=-1.51!) USER MOD Single : A 103 SER OG : rot 120:sc= -0.405 USER MOD Single : A 104 LYS NZ :NH3+ -165:sc=-0.00833 (180deg=-0.14) USER MOD Single : A 109 GLN : amide:sc= -0.0263 K(o=-0.026,f=-1.5!) USER MOD Single : A 110 THR OG1 : rot -162:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 208 N VAL A 17 -12.914 -11.956 2.100 1.00 0.00 N ATOM 209 CA VAL A 17 -12.143 -10.782 1.707 1.00 0.00 C ATOM 210 C VAL A 17 -10.666 -11.123 1.544 1.00 0.00 C ATOM 211 O VAL A 17 -10.144 -12.046 2.170 1.00 0.00 O ATOM 212 CB VAL A 17 -12.285 -9.646 2.739 1.00 0.00 C ATOM 213 CG1 VAL A 17 -13.683 -9.049 2.687 1.00 0.00 C ATOM 214 CG2 VAL A 17 -11.964 -10.155 4.137 1.00 0.00 C ATOM 0 HA VAL A 17 -12.543 -10.447 0.750 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.572 -8.860 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.764 -8.249 3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.870 -8.647 1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.418 -9.823 2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.069 -9.341 4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.652 -10.959 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.941 -10.530 4.162 1.00 0.00 H new ATOM 224 N PRO A 18 -9.975 -10.362 0.684 1.00 0.00 N ATOM 225 CA PRO A 18 -8.547 -10.564 0.418 1.00 0.00 C ATOM 226 C PRO A 18 -7.676 -10.181 1.610 1.00 0.00 C ATOM 227 O PRO A 18 -8.007 -9.267 2.364 1.00 0.00 O ATOM 228 CB PRO A 18 -8.271 -9.634 -0.767 1.00 0.00 C ATOM 229 CG PRO A 18 -9.313 -8.574 -0.666 1.00 0.00 C ATOM 230 CD PRO A 18 -10.533 -9.244 -0.096 1.00 0.00 C ATOM 0 HA PRO A 18 -8.313 -11.610 0.219 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.268 -9.210 -0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.340 -10.168 -1.714 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.979 -7.759 -0.023 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.526 -8.142 -1.644 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.109 -8.564 0.532 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.202 -9.596 -0.881 1.00 0.00 H new ATOM 238 N SER A 19 -6.561 -10.885 1.772 1.00 0.00 N ATOM 239 CA SER A 19 -5.644 -10.621 2.874 1.00 0.00 C ATOM 240 C SER A 19 -4.781 -9.397 2.582 1.00 0.00 C ATOM 241 O SER A 19 -4.652 -8.975 1.433 1.00 0.00 O ATOM 242 CB SER A 19 -4.751 -11.837 3.126 1.00 0.00 C ATOM 243 OG SER A 19 -4.154 -11.776 4.410 1.00 0.00 O ATOM 0 H SER A 19 -6.271 -11.643 1.154 1.00 0.00 H new ATOM 0 HA SER A 19 -6.237 -10.423 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.341 -12.749 3.039 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.974 -11.886 2.363 1.00 0.00 H new ATOM 0 HG SER A 19 -3.590 -12.566 4.546 1.00 0.00 H new ATOM 249 N SER A 20 -4.196 -8.829 3.631 1.00 0.00 N ATOM 250 CA SER A 20 -3.348 -7.650 3.489 1.00 0.00 C ATOM 251 C SER A 20 -2.191 -7.925 2.534 1.00 0.00 C ATOM 252 O SER A 20 -1.614 -9.012 2.515 1.00 0.00 O ATOM 253 CB SER A 20 -2.808 -7.217 4.853 1.00 0.00 C ATOM 254 OG SER A 20 -1.896 -8.172 5.367 1.00 0.00 O ATOM 0 H SER A 20 -4.293 -9.166 4.589 1.00 0.00 H new ATOM 0 HA SER A 20 -3.954 -6.844 3.074 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.314 -6.250 4.762 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.635 -7.087 5.551 1.00 0.00 H new ATOM 0 HG SER A 20 -1.564 -7.871 6.239 1.00 0.00 H new ATOM 260 N PRO A 21 -1.843 -6.915 1.723 1.00 0.00 N ATOM 261 CA PRO A 21 -0.751 -7.023 0.750 1.00 0.00 C ATOM 262 C PRO A 21 0.618 -7.086 1.420 1.00 0.00 C ATOM 263 O PRO A 21 0.718 -7.138 2.646 1.00 0.00 O ATOM 264 CB PRO A 21 -0.884 -5.740 -0.075 1.00 0.00 C ATOM 265 CG PRO A 21 -1.562 -4.773 0.834 1.00 0.00 C ATOM 266 CD PRO A 21 -2.487 -5.591 1.692 1.00 0.00 C ATOM 0 HA PRO A 21 -0.820 -7.936 0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.091 -5.369 -0.391 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.468 -5.910 -0.979 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.836 -4.236 1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.116 -4.025 0.266 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.586 -5.169 2.692 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.489 -5.642 1.267 1.00 0.00 H new ATOM 274 N TYR A 22 1.669 -7.081 0.608 1.00 0.00 N ATOM 275 CA TYR A 22 3.032 -7.140 1.122 1.00 0.00 C ATOM 276 C TYR A 22 4.004 -6.448 0.171 1.00 0.00 C ATOM 277 O TYR A 22 3.671 -6.170 -0.981 1.00 0.00 O ATOM 278 CB TYR A 22 3.457 -8.594 1.334 1.00 0.00 C ATOM 279 CG TYR A 22 3.744 -9.335 0.049 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.713 -9.715 -0.802 1.00 0.00 C ATOM 281 CD2 TYR A 22 5.045 -9.657 -0.317 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.969 -10.393 -1.978 1.00 0.00 C ATOM 283 CE2 TYR A 22 5.312 -10.333 -1.490 1.00 0.00 C ATOM 284 CZ TYR A 22 4.270 -10.700 -2.318 1.00 0.00 C ATOM 285 OH TYR A 22 4.531 -11.375 -3.488 1.00 0.00 O ATOM 0 H TYR A 22 1.603 -7.037 -0.409 1.00 0.00 H new ATOM 0 HA TYR A 22 3.055 -6.618 2.079 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.347 -8.615 1.962 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.671 -9.118 1.878 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.693 -9.476 -0.539 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.863 -9.373 0.329 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.155 -10.681 -2.627 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.330 -10.574 -1.759 1.00 0.00 H new ATOM 0 HH TYR A 22 5.497 -11.511 -3.578 1.00 0.00 H new ATOM 295 N GLY A 23 5.209 -6.175 0.661 1.00 0.00 N ATOM 296 CA GLY A 23 6.212 -5.519 -0.157 1.00 0.00 C ATOM 297 C GLY A 23 6.071 -4.009 -0.148 1.00 0.00 C ATOM 298 O GLY A 23 7.013 -3.289 -0.477 1.00 0.00 O ATOM 0 H GLY A 23 5.509 -6.397 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.204 -5.790 0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.135 -5.882 -1.182 1.00 0.00 H new ATOM 302 N VAL A 24 4.890 -3.530 0.227 1.00 0.00 N ATOM 303 CA VAL A 24 4.628 -2.096 0.277 1.00 0.00 C ATOM 304 C VAL A 24 5.848 -1.332 0.780 1.00 0.00 C ATOM 305 O VAL A 24 6.272 -1.499 1.923 1.00 0.00 O ATOM 306 CB VAL A 24 3.426 -1.775 1.185 1.00 0.00 C ATOM 307 CG1 VAL A 24 3.463 -2.630 2.443 1.00 0.00 C ATOM 308 CG2 VAL A 24 3.403 -0.296 1.536 1.00 0.00 C ATOM 0 H VAL A 24 4.099 -4.113 0.501 1.00 0.00 H new ATOM 0 HA VAL A 24 4.399 -1.781 -0.741 1.00 0.00 H new ATOM 0 HB VAL A 24 2.510 -2.010 0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.606 -2.389 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.426 -3.684 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.383 -2.430 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.547 -0.088 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.322 -0.032 2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.323 0.294 0.623 1.00 0.00 H new ATOM 318 N LYS A 25 6.408 -0.490 -0.083 1.00 0.00 N ATOM 319 CA LYS A 25 7.578 0.303 0.273 1.00 0.00 C ATOM 320 C LYS A 25 7.671 1.556 -0.592 1.00 0.00 C ATOM 321 O LYS A 25 7.350 1.525 -1.781 1.00 0.00 O ATOM 322 CB LYS A 25 8.852 -0.531 0.117 1.00 0.00 C ATOM 323 CG LYS A 25 8.988 -1.185 -1.247 1.00 0.00 C ATOM 324 CD LYS A 25 9.713 -0.280 -2.229 1.00 0.00 C ATOM 325 CE LYS A 25 10.462 -1.085 -3.281 1.00 0.00 C ATOM 326 NZ LYS A 25 11.814 -1.493 -2.809 1.00 0.00 N ATOM 0 H LYS A 25 6.070 -0.340 -1.034 1.00 0.00 H new ATOM 0 HA LYS A 25 7.475 0.608 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.718 0.107 0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.866 -1.305 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.531 -2.125 -1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.999 -1.427 -1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.995 0.379 -2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.414 0.357 -1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.884 -1.973 -3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.559 -0.493 -4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.292 -2.039 -3.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.375 -0.646 -2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.721 -2.080 -1.955 1.00 0.00 H new ATOM 340 N ILE A 26 8.111 2.655 0.010 1.00 0.00 N ATOM 341 CA ILE A 26 8.247 3.917 -0.707 1.00 0.00 C ATOM 342 C ILE A 26 9.509 3.930 -1.562 1.00 0.00 C ATOM 343 O ILE A 26 10.621 3.804 -1.047 1.00 0.00 O ATOM 344 CB ILE A 26 8.284 5.114 0.262 1.00 0.00 C ATOM 345 CG1 ILE A 26 7.150 5.006 1.284 1.00 0.00 C ATOM 346 CG2 ILE A 26 8.188 6.422 -0.509 1.00 0.00 C ATOM 347 CD1 ILE A 26 5.842 4.534 0.687 1.00 0.00 C ATOM 0 H ILE A 26 8.380 2.697 0.993 1.00 0.00 H new ATOM 0 HA ILE A 26 7.373 4.009 -1.352 1.00 0.00 H new ATOM 0 HB ILE A 26 9.233 5.100 0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.449 4.318 2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.997 5.980 1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.215 7.259 0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.027 6.499 -1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.253 6.447 -1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.084 4.481 1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.520 5.234 -0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.979 3.547 0.246 1.00 0.00 H new ATOM 359 N ILE A 27 9.331 4.084 -2.869 1.00 0.00 N ATOM 360 CA ILE A 27 10.456 4.117 -3.796 1.00 0.00 C ATOM 361 C ILE A 27 10.796 5.548 -4.197 1.00 0.00 C ATOM 362 O ILE A 27 11.965 5.893 -4.371 1.00 0.00 O ATOM 363 CB ILE A 27 10.163 3.295 -5.066 1.00 0.00 C ATOM 364 CG1 ILE A 27 8.856 3.758 -5.709 1.00 0.00 C ATOM 365 CG2 ILE A 27 10.101 1.812 -4.733 1.00 0.00 C ATOM 366 CD1 ILE A 27 8.566 3.092 -7.036 1.00 0.00 C ATOM 0 H ILE A 27 8.418 4.188 -3.311 1.00 0.00 H new ATOM 0 HA ILE A 27 11.307 3.676 -3.276 1.00 0.00 H new ATOM 0 HB ILE A 27 10.972 3.454 -5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.032 3.558 -5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.894 4.838 -5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.893 1.244 -5.640 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.056 1.493 -4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.309 1.635 -4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.624 3.469 -7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.370 3.313 -7.738 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.495 2.014 -6.894 1.00 0.00 H new ATOM 378 N GLU A 28 9.768 6.377 -4.340 1.00 0.00 N ATOM 379 CA GLU A 28 9.958 7.772 -4.719 1.00 0.00 C ATOM 380 C GLU A 28 9.238 8.704 -3.749 1.00 0.00 C ATOM 381 O GLU A 28 8.066 9.034 -3.942 1.00 0.00 O ATOM 382 CB GLU A 28 9.452 8.010 -6.143 1.00 0.00 C ATOM 383 CG GLU A 28 10.178 7.185 -7.193 1.00 0.00 C ATOM 384 CD GLU A 28 10.136 7.823 -8.568 1.00 0.00 C ATOM 385 OE1 GLU A 28 10.399 9.040 -8.665 1.00 0.00 O ATOM 386 OE2 GLU A 28 9.840 7.105 -9.546 1.00 0.00 O ATOM 0 H GLU A 28 8.794 6.107 -4.199 1.00 0.00 H new ATOM 0 HA GLU A 28 11.025 7.990 -4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.387 7.780 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.559 9.067 -6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.217 7.051 -6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.730 6.192 -7.243 1.00 0.00 H new ATOM 393 N LEU A 29 9.944 9.124 -2.705 1.00 0.00 N ATOM 394 CA LEU A 29 9.373 10.017 -1.704 1.00 0.00 C ATOM 395 C LEU A 29 9.835 11.453 -1.928 1.00 0.00 C ATOM 396 O LEU A 29 11.031 11.720 -2.043 1.00 0.00 O ATOM 397 CB LEU A 29 9.765 9.557 -0.299 1.00 0.00 C ATOM 398 CG LEU A 29 9.481 10.543 0.834 1.00 0.00 C ATOM 399 CD1 LEU A 29 8.006 10.522 1.204 1.00 0.00 C ATOM 400 CD2 LEU A 29 10.341 10.224 2.048 1.00 0.00 C ATOM 0 H LEU A 29 10.914 8.860 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 29 8.288 9.985 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.240 8.626 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.831 9.330 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 29 9.734 11.545 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.823 11.230 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.409 10.801 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.727 9.520 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.125 10.936 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.121 9.214 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.394 10.292 1.776 1.00 0.00 H new ATOM 412 N SER A 30 8.879 12.375 -1.986 1.00 0.00 N ATOM 413 CA SER A 30 9.188 13.784 -2.198 1.00 0.00 C ATOM 414 C SER A 30 8.949 14.590 -0.924 1.00 0.00 C ATOM 415 O SER A 30 8.645 14.030 0.128 1.00 0.00 O ATOM 416 CB SER A 30 8.340 14.349 -3.339 1.00 0.00 C ATOM 417 OG SER A 30 8.452 15.759 -3.408 1.00 0.00 O ATOM 0 H SER A 30 7.884 12.171 -1.889 1.00 0.00 H new ATOM 0 HA SER A 30 10.242 13.863 -2.465 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.658 13.909 -4.284 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.296 14.071 -3.193 1.00 0.00 H new ATOM 0 HG SER A 30 9.396 16.008 -3.496 1.00 0.00 H new ATOM 423 N GLN A 31 9.089 15.907 -1.030 1.00 0.00 N ATOM 424 CA GLN A 31 8.889 16.791 0.112 1.00 0.00 C ATOM 425 C GLN A 31 7.404 16.993 0.390 1.00 0.00 C ATOM 426 O GLN A 31 7.006 17.292 1.517 1.00 0.00 O ATOM 427 CB GLN A 31 9.563 18.142 -0.137 1.00 0.00 C ATOM 428 CG GLN A 31 9.613 18.535 -1.604 1.00 0.00 C ATOM 429 CD GLN A 31 10.883 18.072 -2.289 1.00 0.00 C ATOM 430 OE1 GLN A 31 10.836 17.343 -3.280 1.00 0.00 O ATOM 431 NE2 GLN A 31 12.028 18.492 -1.764 1.00 0.00 N ATOM 0 H GLN A 31 9.340 16.386 -1.895 1.00 0.00 H new ATOM 0 HA GLN A 31 9.343 16.323 0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.030 18.913 0.419 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.579 18.110 0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.751 18.111 -2.119 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.533 19.619 -1.689 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.021 19.096 -0.942 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.915 18.211 -2.183 1.00 0.00 H new ATOM 440 N THR A 32 6.585 16.830 -0.644 1.00 0.00 N ATOM 441 CA THR A 32 5.143 16.997 -0.512 1.00 0.00 C ATOM 442 C THR A 32 4.399 15.763 -1.011 1.00 0.00 C ATOM 443 O THR A 32 3.295 15.463 -0.553 1.00 0.00 O ATOM 444 CB THR A 32 4.647 18.230 -1.289 1.00 0.00 C ATOM 445 OG1 THR A 32 5.027 18.128 -2.665 1.00 0.00 O ATOM 446 CG2 THR A 32 5.215 19.510 -0.693 1.00 0.00 C ATOM 0 H THR A 32 6.896 16.582 -1.583 1.00 0.00 H new ATOM 0 HA THR A 32 4.937 17.138 0.549 1.00 0.00 H new ATOM 0 HB THR A 32 3.560 18.265 -1.215 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.706 18.915 -3.152 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.851 20.368 -1.259 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.898 19.599 0.346 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.304 19.481 -0.739 1.00 0.00 H new ATOM 454 N THR A 33 5.010 15.049 -1.952 1.00 0.00 N ATOM 455 CA THR A 33 4.404 13.848 -2.513 1.00 0.00 C ATOM 456 C THR A 33 5.149 12.596 -2.064 1.00 0.00 C ATOM 457 O THR A 33 6.271 12.675 -1.564 1.00 0.00 O ATOM 458 CB THR A 33 4.385 13.896 -4.053 1.00 0.00 C ATOM 459 OG1 THR A 33 5.571 14.535 -4.538 1.00 0.00 O ATOM 460 CG2 THR A 33 3.159 14.642 -4.556 1.00 0.00 C ATOM 0 H THR A 33 5.924 15.282 -2.341 1.00 0.00 H new ATOM 0 HA THR A 33 3.379 13.809 -2.145 1.00 0.00 H new ATOM 0 HB THR A 33 4.346 12.872 -4.426 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.552 14.560 -5.517 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.167 14.663 -5.646 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.258 14.136 -4.210 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.172 15.663 -4.173 1.00 0.00 H new ATOM 468 N ALA A 34 4.519 11.441 -2.248 1.00 0.00 N ATOM 469 CA ALA A 34 5.124 10.171 -1.864 1.00 0.00 C ATOM 470 C ALA A 34 4.568 9.023 -2.700 1.00 0.00 C ATOM 471 O ALA A 34 3.355 8.826 -2.773 1.00 0.00 O ATOM 472 CB ALA A 34 4.899 9.905 -0.383 1.00 0.00 C ATOM 0 H ALA A 34 3.590 11.358 -2.661 1.00 0.00 H new ATOM 0 HA ALA A 34 6.196 10.236 -2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.356 8.954 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.350 10.705 0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.829 9.865 -0.179 1.00 0.00 H new ATOM 478 N LYS A 35 5.463 8.268 -3.328 1.00 0.00 N ATOM 479 CA LYS A 35 5.063 7.139 -4.159 1.00 0.00 C ATOM 480 C LYS A 35 5.169 5.829 -3.384 1.00 0.00 C ATOM 481 O LYS A 35 6.252 5.439 -2.950 1.00 0.00 O ATOM 482 CB LYS A 35 5.932 7.071 -5.416 1.00 0.00 C ATOM 483 CG LYS A 35 5.456 6.045 -6.431 1.00 0.00 C ATOM 484 CD LYS A 35 6.404 5.950 -7.614 1.00 0.00 C ATOM 485 CE LYS A 35 6.114 7.027 -8.649 1.00 0.00 C ATOM 486 NZ LYS A 35 7.016 6.919 -9.828 1.00 0.00 N ATOM 0 H LYS A 35 6.471 8.418 -3.277 1.00 0.00 H new ATOM 0 HA LYS A 35 4.023 7.286 -4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.952 8.054 -5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.956 6.835 -5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.372 5.070 -5.952 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.460 6.314 -6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.432 6.046 -7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.314 4.967 -8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.077 6.947 -8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.229 8.010 -8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.765 7.649 -10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.002 7.055 -9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.913 5.978 -10.259 1.00 0.00 H new ATOM 500 N VAL A 36 4.036 5.154 -3.217 1.00 0.00 N ATOM 501 CA VAL A 36 4.002 3.886 -2.496 1.00 0.00 C ATOM 502 C VAL A 36 3.862 2.711 -3.457 1.00 0.00 C ATOM 503 O VAL A 36 2.888 2.620 -4.205 1.00 0.00 O ATOM 504 CB VAL A 36 2.842 3.847 -1.483 1.00 0.00 C ATOM 505 CG1 VAL A 36 1.502 3.878 -2.203 1.00 0.00 C ATOM 506 CG2 VAL A 36 2.951 2.616 -0.596 1.00 0.00 C ATOM 0 H VAL A 36 3.131 5.463 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 36 4.947 3.802 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 36 2.907 4.731 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.695 3.850 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.426 4.792 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.424 3.014 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.124 2.604 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.912 1.718 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.895 2.642 -0.052 1.00 0.00 H new ATOM 516 N SER A 37 4.842 1.814 -3.433 1.00 0.00 N ATOM 517 CA SER A 37 4.831 0.645 -4.306 1.00 0.00 C ATOM 518 C SER A 37 4.625 -0.633 -3.498 1.00 0.00 C ATOM 519 O SER A 37 5.391 -0.932 -2.582 1.00 0.00 O ATOM 520 CB SER A 37 6.139 0.559 -5.095 1.00 0.00 C ATOM 521 OG SER A 37 6.326 -0.739 -5.631 1.00 0.00 O ATOM 0 H SER A 37 5.654 1.874 -2.819 1.00 0.00 H new ATOM 0 HA SER A 37 4.001 0.751 -5.004 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.129 1.291 -5.902 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.977 0.812 -4.445 1.00 0.00 H new ATOM 0 HG SER A 37 7.168 -0.768 -6.132 1.00 0.00 H new ATOM 527 N PHE A 38 3.584 -1.383 -3.846 1.00 0.00 N ATOM 528 CA PHE A 38 3.276 -2.630 -3.154 1.00 0.00 C ATOM 529 C PHE A 38 2.944 -3.737 -4.150 1.00 0.00 C ATOM 530 O PHE A 38 2.946 -3.518 -5.360 1.00 0.00 O ATOM 531 CB PHE A 38 2.104 -2.426 -2.191 1.00 0.00 C ATOM 532 CG PHE A 38 0.896 -1.812 -2.837 1.00 0.00 C ATOM 533 CD1 PHE A 38 0.759 -0.435 -2.913 1.00 0.00 C ATOM 534 CD2 PHE A 38 -0.103 -2.612 -3.369 1.00 0.00 C ATOM 535 CE1 PHE A 38 -0.352 0.133 -3.507 1.00 0.00 C ATOM 536 CE2 PHE A 38 -1.215 -2.048 -3.966 1.00 0.00 C ATOM 537 CZ PHE A 38 -1.340 -0.675 -4.034 1.00 0.00 C ATOM 0 H PHE A 38 2.940 -1.150 -4.602 1.00 0.00 H new ATOM 0 HA PHE A 38 4.157 -2.929 -2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.826 -3.388 -1.761 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.428 -1.790 -1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.529 0.201 -2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.012 -3.687 -3.317 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.447 1.208 -3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.986 -2.682 -4.379 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.209 -0.233 -4.499 1.00 0.00 H new ATOM 547 N ASN A 39 2.660 -4.926 -3.629 1.00 0.00 N ATOM 548 CA ASN A 39 2.326 -6.069 -4.473 1.00 0.00 C ATOM 549 C ASN A 39 0.956 -6.632 -4.109 1.00 0.00 C ATOM 550 O ASN A 39 0.394 -6.303 -3.063 1.00 0.00 O ATOM 551 CB ASN A 39 3.391 -7.159 -4.334 1.00 0.00 C ATOM 552 CG ASN A 39 4.781 -6.657 -4.675 1.00 0.00 C ATOM 553 OD1 ASN A 39 5.018 -6.147 -5.771 1.00 0.00 O ATOM 554 ND2 ASN A 39 5.708 -6.797 -3.734 1.00 0.00 N ATOM 0 H ASN A 39 2.654 -5.124 -2.628 1.00 0.00 H new ATOM 0 HA ASN A 39 2.296 -5.729 -5.508 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.386 -7.540 -3.313 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.139 -7.994 -4.987 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.661 -6.476 -3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.467 -7.225 -2.840 1.00 0.00 H new ATOM 561 N LYS A 40 0.422 -7.483 -4.979 1.00 0.00 N ATOM 562 CA LYS A 40 -0.882 -8.095 -4.749 1.00 0.00 C ATOM 563 C LYS A 40 -0.811 -9.119 -3.622 1.00 0.00 C ATOM 564 O LYS A 40 0.231 -9.721 -3.361 1.00 0.00 O ATOM 565 CB LYS A 40 -1.386 -8.764 -6.030 1.00 0.00 C ATOM 566 CG LYS A 40 -1.529 -7.806 -7.201 1.00 0.00 C ATOM 567 CD LYS A 40 -2.633 -8.245 -8.149 1.00 0.00 C ATOM 568 CE LYS A 40 -4.005 -7.853 -7.625 1.00 0.00 C ATOM 569 NZ LYS A 40 -5.083 -8.168 -8.603 1.00 0.00 N ATOM 0 H LYS A 40 0.872 -7.765 -5.850 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.579 -7.309 -4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.699 -9.563 -6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.352 -9.229 -5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.745 -6.805 -6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.585 -7.748 -7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.474 -7.794 -9.128 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.589 -9.326 -8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.199 -8.377 -6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.017 -6.786 -7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.003 -7.886 -8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.912 -7.649 -9.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.088 -9.190 -8.797 1.00 0.00 H new ATOM 583 N PRO A 41 -1.946 -9.325 -2.937 1.00 0.00 N ATOM 584 CA PRO A 41 -2.039 -10.279 -1.828 1.00 0.00 C ATOM 585 C PRO A 41 -1.945 -11.726 -2.298 1.00 0.00 C ATOM 586 O PRO A 41 -2.543 -12.101 -3.307 1.00 0.00 O ATOM 587 CB PRO A 41 -3.422 -9.999 -1.233 1.00 0.00 C ATOM 588 CG PRO A 41 -4.208 -9.420 -2.360 1.00 0.00 C ATOM 589 CD PRO A 41 -3.226 -8.644 -3.194 1.00 0.00 C ATOM 0 HA PRO A 41 -1.222 -10.158 -1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.883 -10.912 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.360 -9.304 -0.395 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.684 -10.205 -2.947 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.003 -8.773 -1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.489 -8.669 -4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.189 -7.595 -2.899 1.00 0.00 H new ATOM 652 N VAL A 47 -14.112 -13.741 -4.427 1.00 0.00 N ATOM 653 CA VAL A 47 -14.397 -12.731 -5.438 1.00 0.00 C ATOM 654 C VAL A 47 -13.136 -11.962 -5.817 1.00 0.00 C ATOM 655 O VAL A 47 -12.235 -11.758 -5.004 1.00 0.00 O ATOM 656 CB VAL A 47 -15.465 -11.734 -4.950 1.00 0.00 C ATOM 657 CG1 VAL A 47 -16.802 -12.436 -4.760 1.00 0.00 C ATOM 658 CG2 VAL A 47 -15.017 -11.062 -3.661 1.00 0.00 C ATOM 0 HA VAL A 47 -14.775 -13.258 -6.314 1.00 0.00 H new ATOM 0 HB VAL A 47 -15.592 -10.962 -5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -17.545 -11.717 -4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.126 -12.865 -5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.694 -13.229 -4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.784 -10.361 -3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.861 -11.818 -2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.085 -10.525 -3.836 1.00 0.00 H new ATOM 668 N PRO A 48 -13.070 -11.523 -7.083 1.00 0.00 N ATOM 669 CA PRO A 48 -11.923 -10.767 -7.599 1.00 0.00 C ATOM 670 C PRO A 48 -11.838 -9.366 -7.005 1.00 0.00 C ATOM 671 O PRO A 48 -12.857 -8.715 -6.775 1.00 0.00 O ATOM 672 CB PRO A 48 -12.196 -10.695 -9.103 1.00 0.00 C ATOM 673 CG PRO A 48 -13.674 -10.824 -9.228 1.00 0.00 C ATOM 674 CD PRO A 48 -14.107 -11.728 -8.107 1.00 0.00 C ATOM 0 HA PRO A 48 -10.974 -11.240 -7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.844 -9.753 -9.524 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.683 -11.495 -9.637 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.158 -9.850 -9.153 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.949 -11.243 -10.196 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -15.097 -11.462 -7.736 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -14.156 -12.769 -8.426 1.00 0.00 H new ATOM 682 N ILE A 49 -10.615 -8.907 -6.758 1.00 0.00 N ATOM 683 CA ILE A 49 -10.397 -7.581 -6.193 1.00 0.00 C ATOM 684 C ILE A 49 -10.795 -6.489 -7.180 1.00 0.00 C ATOM 685 O ILE A 49 -10.583 -6.622 -8.386 1.00 0.00 O ATOM 686 CB ILE A 49 -8.926 -7.378 -5.785 1.00 0.00 C ATOM 687 CG1 ILE A 49 -8.591 -8.232 -4.559 1.00 0.00 C ATOM 688 CG2 ILE A 49 -8.652 -5.908 -5.503 1.00 0.00 C ATOM 689 CD1 ILE A 49 -7.106 -8.377 -4.311 1.00 0.00 C ATOM 0 H ILE A 49 -9.761 -9.434 -6.940 1.00 0.00 H new ATOM 0 HA ILE A 49 -11.025 -7.510 -5.305 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.289 -7.695 -6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.056 -7.788 -3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.028 -9.222 -4.686 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.608 -5.781 -5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.856 -5.322 -6.399 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.295 -5.567 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.943 -8.994 -3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.637 -8.849 -5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.666 -7.393 -4.152 1.00 0.00 H new ATOM 701 N HIS A 50 -11.371 -5.410 -6.660 1.00 0.00 N ATOM 702 CA HIS A 50 -11.795 -4.293 -7.496 1.00 0.00 C ATOM 703 C HIS A 50 -10.757 -3.175 -7.479 1.00 0.00 C ATOM 704 O HIS A 50 -10.365 -2.662 -8.527 1.00 0.00 O ATOM 705 CB HIS A 50 -13.146 -3.757 -7.020 1.00 0.00 C ATOM 706 CG HIS A 50 -13.930 -3.070 -8.096 1.00 0.00 C ATOM 707 ND1 HIS A 50 -15.032 -3.636 -8.701 1.00 0.00 N ATOM 708 CD2 HIS A 50 -13.768 -1.857 -8.671 1.00 0.00 C ATOM 709 CE1 HIS A 50 -15.513 -2.800 -9.605 1.00 0.00 C ATOM 710 NE2 HIS A 50 -14.763 -1.713 -9.607 1.00 0.00 N ATOM 0 H HIS A 50 -11.555 -5.286 -5.664 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.895 -4.655 -8.519 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.736 -4.583 -6.623 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -12.982 -3.059 -6.199 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.999 -1.135 -8.438 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -16.373 -2.976 -10.235 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.900 -0.899 -10.206 1.00 0.00 H new ATOM 719 N HIS A 51 -10.317 -2.802 -6.281 1.00 0.00 N ATOM 720 CA HIS A 51 -9.325 -1.744 -6.127 1.00 0.00 C ATOM 721 C HIS A 51 -8.664 -1.814 -4.753 1.00 0.00 C ATOM 722 O HIS A 51 -8.932 -2.727 -3.971 1.00 0.00 O ATOM 723 CB HIS A 51 -9.973 -0.375 -6.324 1.00 0.00 C ATOM 724 CG HIS A 51 -10.950 -0.013 -5.248 1.00 0.00 C ATOM 725 ND1 HIS A 51 -12.229 -0.525 -5.189 1.00 0.00 N ATOM 726 CD2 HIS A 51 -10.828 0.813 -4.182 1.00 0.00 C ATOM 727 CE1 HIS A 51 -12.852 -0.028 -4.136 1.00 0.00 C ATOM 728 NE2 HIS A 51 -12.023 0.787 -3.507 1.00 0.00 N ATOM 0 H HIS A 51 -10.632 -3.216 -5.404 1.00 0.00 H new ATOM 0 HA HIS A 51 -8.558 -1.887 -6.888 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.192 0.385 -6.365 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.484 -0.359 -7.287 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.953 1.386 -3.913 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -13.866 -0.250 -3.839 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.236 1.311 -2.658 1.00 0.00 H new ATOM 737 N TYR A 52 -7.800 -0.847 -4.467 1.00 0.00 N ATOM 738 CA TYR A 52 -7.099 -0.801 -3.189 1.00 0.00 C ATOM 739 C TYR A 52 -7.390 0.504 -2.455 1.00 0.00 C ATOM 740 O TYR A 52 -7.530 1.559 -3.074 1.00 0.00 O ATOM 741 CB TYR A 52 -5.593 -0.954 -3.404 1.00 0.00 C ATOM 742 CG TYR A 52 -5.187 -2.325 -3.896 1.00 0.00 C ATOM 743 CD1 TYR A 52 -5.326 -2.675 -5.233 1.00 0.00 C ATOM 744 CD2 TYR A 52 -4.665 -3.271 -3.022 1.00 0.00 C ATOM 745 CE1 TYR A 52 -4.957 -3.927 -5.686 1.00 0.00 C ATOM 746 CE2 TYR A 52 -4.292 -4.525 -3.466 1.00 0.00 C ATOM 747 CZ TYR A 52 -4.441 -4.848 -4.799 1.00 0.00 C ATOM 748 OH TYR A 52 -4.071 -6.095 -5.247 1.00 0.00 O ATOM 0 H TYR A 52 -7.568 -0.084 -5.103 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.457 -1.628 -2.577 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.259 -0.206 -4.123 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.078 -0.747 -2.466 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.730 -1.956 -5.931 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.549 -3.022 -1.978 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.072 -4.183 -6.729 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.886 -5.248 -2.774 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.592 -6.779 -4.777 1.00 0.00 H new ATOM 758 N GLN A 53 -7.479 0.424 -1.132 1.00 0.00 N ATOM 759 CA GLN A 53 -7.753 1.598 -0.312 1.00 0.00 C ATOM 760 C GLN A 53 -6.502 2.040 0.440 1.00 0.00 C ATOM 761 O GLN A 53 -5.921 1.271 1.206 1.00 0.00 O ATOM 762 CB GLN A 53 -8.881 1.304 0.678 1.00 0.00 C ATOM 763 CG GLN A 53 -9.515 2.553 1.267 1.00 0.00 C ATOM 764 CD GLN A 53 -8.809 3.029 2.522 1.00 0.00 C ATOM 765 OE1 GLN A 53 -7.669 3.490 2.471 1.00 0.00 O ATOM 766 NE2 GLN A 53 -9.487 2.921 3.660 1.00 0.00 N ATOM 0 H GLN A 53 -7.365 -0.442 -0.605 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.063 2.407 -0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.651 0.719 0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.491 0.688 1.488 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.501 3.349 0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.561 2.351 1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.430 2.533 3.657 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.064 3.226 4.537 1.00 0.00 H new ATOM 775 N VAL A 54 -6.093 3.286 0.218 1.00 0.00 N ATOM 776 CA VAL A 54 -4.911 3.831 0.875 1.00 0.00 C ATOM 777 C VAL A 54 -5.284 4.966 1.823 1.00 0.00 C ATOM 778 O VAL A 54 -5.883 5.959 1.412 1.00 0.00 O ATOM 779 CB VAL A 54 -3.886 4.350 -0.151 1.00 0.00 C ATOM 780 CG1 VAL A 54 -2.712 5.011 0.554 1.00 0.00 C ATOM 781 CG2 VAL A 54 -3.411 3.217 -1.048 1.00 0.00 C ATOM 0 H VAL A 54 -6.563 3.936 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.462 3.017 1.445 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.371 5.099 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.999 5.371 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.071 5.850 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.224 4.286 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.687 3.601 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.943 2.443 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.262 2.794 -1.581 1.00 0.00 H new ATOM 791 N ASP A 55 -4.926 4.811 3.092 1.00 0.00 N ATOM 792 CA ASP A 55 -5.221 5.823 4.100 1.00 0.00 C ATOM 793 C ASP A 55 -3.935 6.385 4.698 1.00 0.00 C ATOM 794 O ASP A 55 -3.137 5.652 5.282 1.00 0.00 O ATOM 795 CB ASP A 55 -6.097 5.233 5.205 1.00 0.00 C ATOM 796 CG ASP A 55 -7.008 6.268 5.837 1.00 0.00 C ATOM 797 OD1 ASP A 55 -7.087 7.394 5.302 1.00 0.00 O ATOM 798 OD2 ASP A 55 -7.642 5.950 6.864 1.00 0.00 O ATOM 0 H ASP A 55 -4.431 3.994 3.448 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.761 6.637 3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.701 4.425 4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.461 4.795 5.974 1.00 0.00 H new ATOM 803 N VAL A 56 -3.740 7.692 4.548 1.00 0.00 N ATOM 804 CA VAL A 56 -2.552 8.353 5.073 1.00 0.00 C ATOM 805 C VAL A 56 -2.927 9.557 5.930 1.00 0.00 C ATOM 806 O VAL A 56 -3.946 10.207 5.696 1.00 0.00 O ATOM 807 CB VAL A 56 -1.619 8.815 3.938 1.00 0.00 C ATOM 808 CG1 VAL A 56 -2.262 9.939 3.141 1.00 0.00 C ATOM 809 CG2 VAL A 56 -0.273 9.251 4.499 1.00 0.00 C ATOM 0 H VAL A 56 -4.390 8.313 4.067 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.028 7.621 5.688 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.452 7.974 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.588 10.252 2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.198 9.588 2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.462 10.784 3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.374 9.574 3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.419 10.077 5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.192 8.415 5.021 1.00 0.00 H new ATOM 819 N LYS A 57 -2.095 9.850 6.925 1.00 0.00 N ATOM 820 CA LYS A 57 -2.337 10.976 7.818 1.00 0.00 C ATOM 821 C LYS A 57 -1.109 11.262 8.677 1.00 0.00 C ATOM 822 O LYS A 57 -0.164 10.475 8.706 1.00 0.00 O ATOM 823 CB LYS A 57 -3.546 10.696 8.712 1.00 0.00 C ATOM 824 CG LYS A 57 -3.187 10.021 10.025 1.00 0.00 C ATOM 825 CD LYS A 57 -4.391 9.916 10.945 1.00 0.00 C ATOM 826 CE LYS A 57 -4.141 8.936 12.081 1.00 0.00 C ATOM 827 NZ LYS A 57 -3.200 9.488 13.095 1.00 0.00 N ATOM 0 H LYS A 57 -1.247 9.322 7.132 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.543 11.854 7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.056 11.636 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.251 10.066 8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.791 9.025 9.827 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.397 10.585 10.521 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.623 10.899 11.355 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.261 9.596 10.372 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.088 8.688 12.561 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.736 8.008 11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.070 8.796 13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.283 9.685 12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.590 10.369 13.487 1.00 0.00 H new ATOM 841 N GLU A 58 -1.133 12.392 9.378 1.00 0.00 N ATOM 842 CA GLU A 58 -0.021 12.779 10.239 1.00 0.00 C ATOM 843 C GLU A 58 -0.049 11.997 11.548 1.00 0.00 C ATOM 844 O GLU A 58 -1.111 11.787 12.136 1.00 0.00 O ATOM 845 CB GLU A 58 -0.070 14.281 10.528 1.00 0.00 C ATOM 846 CG GLU A 58 0.694 15.121 9.520 1.00 0.00 C ATOM 847 CD GLU A 58 0.340 16.592 9.597 1.00 0.00 C ATOM 848 OE1 GLU A 58 -0.807 16.946 9.252 1.00 0.00 O ATOM 849 OE2 GLU A 58 1.209 17.391 10.004 1.00 0.00 O ATOM 0 H GLU A 58 -1.909 13.054 9.367 1.00 0.00 H new ATOM 0 HA GLU A 58 0.907 12.547 9.717 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.111 14.605 10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.336 14.464 11.523 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.764 15.000 9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.486 14.754 8.515 1.00 0.00 H new ATOM 856 N VAL A 59 1.125 11.566 11.999 1.00 0.00 N ATOM 857 CA VAL A 59 1.236 10.807 13.239 1.00 0.00 C ATOM 858 C VAL A 59 0.725 11.616 14.426 1.00 0.00 C ATOM 859 O VAL A 59 0.509 11.076 15.511 1.00 0.00 O ATOM 860 CB VAL A 59 2.691 10.382 13.508 1.00 0.00 C ATOM 861 CG1 VAL A 59 3.625 11.580 13.406 1.00 0.00 C ATOM 862 CG2 VAL A 59 2.809 9.720 14.873 1.00 0.00 C ATOM 0 H VAL A 59 2.013 11.730 11.524 1.00 0.00 H new ATOM 0 HA VAL A 59 0.621 9.915 13.121 1.00 0.00 H new ATOM 0 HB VAL A 59 2.985 9.656 12.750 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.649 11.260 13.599 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.561 12.007 12.405 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.335 12.331 14.140 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.844 9.426 15.047 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.497 10.422 15.646 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.171 8.837 14.906 1.00 0.00 H new ATOM 872 N ALA A 60 0.535 12.914 14.213 1.00 0.00 N ATOM 873 CA ALA A 60 0.048 13.797 15.265 1.00 0.00 C ATOM 874 C ALA A 60 -1.422 14.144 15.053 1.00 0.00 C ATOM 875 O ALA A 60 -2.146 14.429 16.007 1.00 0.00 O ATOM 876 CB ALA A 60 0.888 15.064 15.322 1.00 0.00 C ATOM 0 H ALA A 60 0.711 13.377 13.321 1.00 0.00 H new ATOM 0 HA ALA A 60 0.137 13.272 16.216 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.513 15.714 16.112 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.926 14.803 15.529 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.828 15.584 14.366 1.00 0.00 H new ATOM 882 N SER A 61 -1.856 14.120 13.797 1.00 0.00 N ATOM 883 CA SER A 61 -3.238 14.437 13.460 1.00 0.00 C ATOM 884 C SER A 61 -4.126 13.204 13.594 1.00 0.00 C ATOM 885 O SER A 61 -3.654 12.072 13.490 1.00 0.00 O ATOM 886 CB SER A 61 -3.325 14.989 12.036 1.00 0.00 C ATOM 887 OG SER A 61 -4.665 15.282 11.682 1.00 0.00 O ATOM 0 H SER A 61 -1.270 13.884 12.996 1.00 0.00 H new ATOM 0 HA SER A 61 -3.591 15.196 14.158 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.719 15.891 11.955 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.911 14.263 11.336 1.00 0.00 H new ATOM 0 HG SER A 61 -4.692 15.635 10.768 1.00 0.00 H new ATOM 893 N GLU A 62 -5.415 13.433 13.826 1.00 0.00 N ATOM 894 CA GLU A 62 -6.370 12.341 13.975 1.00 0.00 C ATOM 895 C GLU A 62 -7.306 12.268 12.771 1.00 0.00 C ATOM 896 O GLU A 62 -8.325 11.577 12.806 1.00 0.00 O ATOM 897 CB GLU A 62 -7.184 12.516 15.258 1.00 0.00 C ATOM 898 CG GLU A 62 -6.398 12.219 16.524 1.00 0.00 C ATOM 899 CD GLU A 62 -7.286 12.088 17.745 1.00 0.00 C ATOM 900 OE1 GLU A 62 -8.238 11.281 17.704 1.00 0.00 O ATOM 901 OE2 GLU A 62 -7.029 12.794 18.743 1.00 0.00 O ATOM 0 H GLU A 62 -5.822 14.364 13.915 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.809 11.408 14.034 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.558 13.539 15.304 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.054 11.860 15.218 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.834 11.296 16.389 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.672 13.015 16.691 1.00 0.00 H new ATOM 908 N ILE A 63 -6.952 12.984 11.710 1.00 0.00 N ATOM 909 CA ILE A 63 -7.759 13.001 10.496 1.00 0.00 C ATOM 910 C ILE A 63 -7.147 12.115 9.417 1.00 0.00 C ATOM 911 O ILE A 63 -6.110 12.447 8.843 1.00 0.00 O ATOM 912 CB ILE A 63 -7.916 14.430 9.944 1.00 0.00 C ATOM 913 CG1 ILE A 63 -8.561 15.338 10.994 1.00 0.00 C ATOM 914 CG2 ILE A 63 -8.743 14.416 8.667 1.00 0.00 C ATOM 915 CD1 ILE A 63 -8.617 16.792 10.582 1.00 0.00 C ATOM 0 H ILE A 63 -6.112 13.560 11.666 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.742 12.615 10.765 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.927 14.824 9.709 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.573 14.986 11.195 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.004 15.254 11.927 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.845 15.433 8.289 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.246 13.799 7.919 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.731 14.006 8.878 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.086 17.377 11.373 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.606 17.160 10.409 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.200 16.888 9.666 1.00 0.00 H new ATOM 927 N TRP A 64 -7.795 10.989 9.144 1.00 0.00 N ATOM 928 CA TRP A 64 -7.316 10.056 8.132 1.00 0.00 C ATOM 929 C TRP A 64 -7.756 10.491 6.738 1.00 0.00 C ATOM 930 O TRP A 64 -8.910 10.864 6.528 1.00 0.00 O ATOM 931 CB TRP A 64 -7.830 8.646 8.424 1.00 0.00 C ATOM 932 CG TRP A 64 -7.077 7.956 9.522 1.00 0.00 C ATOM 933 CD1 TRP A 64 -7.380 7.966 10.854 1.00 0.00 C ATOM 934 CD2 TRP A 64 -5.898 7.157 9.382 1.00 0.00 C ATOM 935 NE1 TRP A 64 -6.458 7.221 11.550 1.00 0.00 N ATOM 936 CE2 TRP A 64 -5.540 6.713 10.670 1.00 0.00 C ATOM 937 CE3 TRP A 64 -5.110 6.771 8.295 1.00 0.00 C ATOM 938 CZ2 TRP A 64 -4.428 5.905 10.897 1.00 0.00 C ATOM 939 CZ3 TRP A 64 -4.007 5.969 8.521 1.00 0.00 C ATOM 940 CH2 TRP A 64 -3.676 5.543 9.814 1.00 0.00 C ATOM 0 H TRP A 64 -8.655 10.700 9.610 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.226 10.052 8.165 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -8.885 8.700 8.694 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.764 8.047 7.516 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.220 8.483 11.295 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.458 7.071 12.559 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -5.358 7.094 7.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.169 5.576 11.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.391 5.666 7.688 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.809 4.916 9.958 1.00 0.00 H new ATOM 951 N LYS A 65 -6.829 10.443 5.787 1.00 0.00 N ATOM 952 CA LYS A 65 -7.121 10.832 4.413 1.00 0.00 C ATOM 953 C LYS A 65 -7.134 9.613 3.494 1.00 0.00 C ATOM 954 O LYS A 65 -6.121 8.929 3.341 1.00 0.00 O ATOM 955 CB LYS A 65 -6.088 11.846 3.917 1.00 0.00 C ATOM 956 CG LYS A 65 -6.016 13.104 4.764 1.00 0.00 C ATOM 957 CD LYS A 65 -5.397 14.259 3.996 1.00 0.00 C ATOM 958 CE LYS A 65 -3.878 14.184 4.003 1.00 0.00 C ATOM 959 NZ LYS A 65 -3.263 15.307 3.244 1.00 0.00 N ATOM 0 H LYS A 65 -5.868 10.138 5.943 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.109 11.291 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.106 11.373 3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.327 12.123 2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.018 13.380 5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.429 12.907 5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.758 14.248 2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.718 15.203 4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.518 14.201 5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.559 13.236 3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.237 15.318 3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.446 15.181 2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.676 16.207 3.561 1.00 0.00 H new ATOM 973 N ILE A 66 -8.285 9.350 2.886 1.00 0.00 N ATOM 974 CA ILE A 66 -8.427 8.215 1.980 1.00 0.00 C ATOM 975 C ILE A 66 -8.123 8.618 0.542 1.00 0.00 C ATOM 976 O ILE A 66 -8.371 9.755 0.139 1.00 0.00 O ATOM 977 CB ILE A 66 -9.846 7.618 2.046 1.00 0.00 C ATOM 978 CG1 ILE A 66 -10.168 7.169 3.472 1.00 0.00 C ATOM 979 CG2 ILE A 66 -9.975 6.453 1.076 1.00 0.00 C ATOM 980 CD1 ILE A 66 -9.499 5.870 3.863 1.00 0.00 C ATOM 0 H ILE A 66 -9.132 9.906 3.003 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.709 7.461 2.302 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.562 8.387 1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.861 7.950 4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.247 7.057 3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.983 6.041 1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.783 6.801 0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.252 5.680 1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.772 5.614 4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.825 5.076 3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.417 5.983 3.794 1.00 0.00 H new ATOM 992 N VAL A 67 -7.586 7.678 -0.230 1.00 0.00 N ATOM 993 CA VAL A 67 -7.251 7.934 -1.626 1.00 0.00 C ATOM 994 C VAL A 67 -7.460 6.687 -2.477 1.00 0.00 C ATOM 995 O VAL A 67 -6.815 5.661 -2.263 1.00 0.00 O ATOM 996 CB VAL A 67 -5.793 8.407 -1.774 1.00 0.00 C ATOM 997 CG1 VAL A 67 -5.451 8.631 -3.239 1.00 0.00 C ATOM 998 CG2 VAL A 67 -5.557 9.671 -0.963 1.00 0.00 C ATOM 0 H VAL A 67 -7.374 6.732 0.088 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.918 8.723 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.136 7.628 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.417 8.965 -3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.578 7.698 -3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.113 9.390 -3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.521 9.990 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.222 10.459 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.758 9.471 0.089 1.00 0.00 H new ATOM 1008 N ARG A 68 -8.365 6.784 -3.446 1.00 0.00 N ATOM 1009 CA ARG A 68 -8.659 5.664 -4.332 1.00 0.00 C ATOM 1010 C ARG A 68 -7.704 5.646 -5.521 1.00 0.00 C ATOM 1011 O ARG A 68 -7.366 6.692 -6.076 1.00 0.00 O ATOM 1012 CB ARG A 68 -10.104 5.743 -4.825 1.00 0.00 C ATOM 1013 CG ARG A 68 -11.111 5.135 -3.863 1.00 0.00 C ATOM 1014 CD ARG A 68 -12.480 5.784 -4.005 1.00 0.00 C ATOM 1015 NE ARG A 68 -13.561 4.860 -3.671 1.00 0.00 N ATOM 1016 CZ ARG A 68 -14.848 5.178 -3.745 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -15.214 6.389 -4.140 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -15.774 4.282 -3.425 1.00 0.00 N ATOM 0 H ARG A 68 -8.907 7.627 -3.637 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.525 4.741 -3.767 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.364 6.788 -4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.179 5.234 -5.786 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -11.194 4.064 -4.050 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.755 5.253 -2.839 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.536 6.658 -3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.609 6.138 -5.028 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.314 3.919 -3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.506 7.080 -4.388 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.204 6.630 -4.196 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.497 3.348 -3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.762 4.527 -3.482 1.00 0.00 H new ATOM 1032 N SER A 69 -7.271 4.450 -5.909 1.00 0.00 N ATOM 1033 CA SER A 69 -6.352 4.296 -7.029 1.00 0.00 C ATOM 1034 C SER A 69 -7.116 4.090 -8.334 1.00 0.00 C ATOM 1035 O SER A 69 -8.123 3.382 -8.373 1.00 0.00 O ATOM 1036 CB SER A 69 -5.410 3.115 -6.785 1.00 0.00 C ATOM 1037 OG SER A 69 -6.138 1.927 -6.528 1.00 0.00 O ATOM 0 H SER A 69 -7.543 3.574 -5.463 1.00 0.00 H new ATOM 0 HA SER A 69 -5.764 5.210 -7.112 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.769 2.971 -7.655 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.757 3.335 -5.940 1.00 0.00 H new ATOM 0 HG SER A 69 -6.366 1.493 -7.377 1.00 0.00 H new ATOM 1043 N HIS A 70 -6.629 4.714 -9.402 1.00 0.00 N ATOM 1044 CA HIS A 70 -7.264 4.599 -10.710 1.00 0.00 C ATOM 1045 C HIS A 70 -7.036 3.213 -11.305 1.00 0.00 C ATOM 1046 O HIS A 70 -6.143 3.018 -12.127 1.00 0.00 O ATOM 1047 CB HIS A 70 -6.723 5.669 -11.659 1.00 0.00 C ATOM 1048 CG HIS A 70 -6.686 7.040 -11.056 1.00 0.00 C ATOM 1049 ND1 HIS A 70 -7.676 7.979 -11.260 1.00 0.00 N ATOM 1050 CD2 HIS A 70 -5.772 7.628 -10.250 1.00 0.00 C ATOM 1051 CE1 HIS A 70 -7.371 9.086 -10.607 1.00 0.00 C ATOM 1052 NE2 HIS A 70 -6.220 8.899 -9.986 1.00 0.00 N ATOM 0 H HIS A 70 -5.797 5.304 -9.387 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.336 4.747 -10.580 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.716 5.391 -11.971 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.340 5.692 -12.557 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.860 7.181 -9.883 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -7.962 9.990 -10.585 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.742 9.587 -9.405 1.00 0.00 H new ATOM 1061 N GLY A 71 -7.851 2.251 -10.882 1.00 0.00 N ATOM 1062 CA GLY A 71 -7.722 0.895 -11.383 1.00 0.00 C ATOM 1063 C GLY A 71 -7.172 -0.058 -10.341 1.00 0.00 C ATOM 1064 O GLY A 71 -7.001 0.312 -9.179 1.00 0.00 O ATOM 0 H GLY A 71 -8.598 2.387 -10.201 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.697 0.540 -11.717 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.067 0.894 -12.254 1.00 0.00 H new ATOM 1068 N VAL A 72 -6.894 -1.290 -10.755 1.00 0.00 N ATOM 1069 CA VAL A 72 -6.359 -2.299 -9.849 1.00 0.00 C ATOM 1070 C VAL A 72 -4.836 -2.251 -9.809 1.00 0.00 C ATOM 1071 O VAL A 72 -4.175 -3.286 -9.722 1.00 0.00 O ATOM 1072 CB VAL A 72 -6.806 -3.715 -10.259 1.00 0.00 C ATOM 1073 CG1 VAL A 72 -8.322 -3.831 -10.212 1.00 0.00 C ATOM 1074 CG2 VAL A 72 -6.280 -4.059 -11.645 1.00 0.00 C ATOM 0 H VAL A 72 -7.031 -1.613 -11.713 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.753 -2.074 -8.858 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.389 -4.429 -9.549 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.619 -4.838 -10.505 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.671 -3.630 -9.199 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.764 -3.109 -10.898 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.605 -5.063 -11.919 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.667 -3.342 -12.369 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.191 -4.019 -11.641 1.00 0.00 H new ATOM 1084 N GLN A 73 -4.286 -1.043 -9.871 1.00 0.00 N ATOM 1085 CA GLN A 73 -2.839 -0.860 -9.842 1.00 0.00 C ATOM 1086 C GLN A 73 -2.265 -1.279 -8.493 1.00 0.00 C ATOM 1087 O GLN A 73 -3.000 -1.682 -7.590 1.00 0.00 O ATOM 1088 CB GLN A 73 -2.482 0.598 -10.131 1.00 0.00 C ATOM 1089 CG GLN A 73 -2.991 1.570 -9.078 1.00 0.00 C ATOM 1090 CD GLN A 73 -3.158 2.978 -9.614 1.00 0.00 C ATOM 1091 OE1 GLN A 73 -2.185 3.720 -9.755 1.00 0.00 O ATOM 1092 NE2 GLN A 73 -4.394 3.354 -9.917 1.00 0.00 N ATOM 0 H GLN A 73 -4.820 -0.177 -9.942 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.402 -1.493 -10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.398 0.690 -10.205 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.893 0.878 -11.101 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.948 1.216 -8.695 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.297 1.585 -8.238 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.171 2.707 -9.784 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.567 4.290 -10.283 1.00 0.00 H new ATOM 1101 N THR A 74 -0.946 -1.181 -8.360 1.00 0.00 N ATOM 1102 CA THR A 74 -0.273 -1.551 -7.122 1.00 0.00 C ATOM 1103 C THR A 74 0.626 -0.423 -6.627 1.00 0.00 C ATOM 1104 O THR A 74 1.138 -0.471 -5.508 1.00 0.00 O ATOM 1105 CB THR A 74 0.574 -2.825 -7.301 1.00 0.00 C ATOM 1106 OG1 THR A 74 1.604 -2.597 -8.270 1.00 0.00 O ATOM 1107 CG2 THR A 74 -0.295 -3.994 -7.742 1.00 0.00 C ATOM 0 H THR A 74 -0.323 -0.848 -9.095 1.00 0.00 H new ATOM 0 HA THR A 74 -1.052 -1.743 -6.384 1.00 0.00 H new ATOM 0 HB THR A 74 1.028 -3.071 -6.341 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.139 -3.411 -8.377 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.324 -4.883 -7.862 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.060 -4.184 -6.989 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.773 -3.754 -8.692 1.00 0.00 H new ATOM 1115 N MET A 75 0.813 0.590 -7.466 1.00 0.00 N ATOM 1116 CA MET A 75 1.650 1.731 -7.112 1.00 0.00 C ATOM 1117 C MET A 75 0.904 3.042 -7.339 1.00 0.00 C ATOM 1118 O MET A 75 0.376 3.288 -8.423 1.00 0.00 O ATOM 1119 CB MET A 75 2.942 1.716 -7.930 1.00 0.00 C ATOM 1120 CG MET A 75 3.856 2.897 -7.643 1.00 0.00 C ATOM 1121 SD MET A 75 3.480 4.331 -8.670 1.00 0.00 S ATOM 1122 CE MET A 75 4.603 4.070 -10.041 1.00 0.00 C ATOM 0 H MET A 75 0.397 0.644 -8.396 1.00 0.00 H new ATOM 0 HA MET A 75 1.899 1.654 -6.054 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.481 0.791 -7.725 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.691 1.710 -8.991 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.767 3.174 -6.592 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.891 2.599 -7.807 1.00 0.00 H new ATOM 0 HE1 MET A 75 4.966 5.032 -10.402 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.447 3.465 -9.710 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.080 3.554 -10.846 1.00 0.00 H new ATOM 1132 N VAL A 76 0.866 3.881 -6.309 1.00 0.00 N ATOM 1133 CA VAL A 76 0.186 5.168 -6.397 1.00 0.00 C ATOM 1134 C VAL A 76 0.988 6.262 -5.702 1.00 0.00 C ATOM 1135 O VAL A 76 1.841 5.983 -4.861 1.00 0.00 O ATOM 1136 CB VAL A 76 -1.221 5.103 -5.773 1.00 0.00 C ATOM 1137 CG1 VAL A 76 -1.964 6.413 -5.992 1.00 0.00 C ATOM 1138 CG2 VAL A 76 -2.005 3.934 -6.346 1.00 0.00 C ATOM 0 H VAL A 76 1.298 3.693 -5.404 1.00 0.00 H new ATOM 0 HA VAL A 76 0.095 5.406 -7.457 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.116 4.948 -4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.956 6.348 -5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.409 7.228 -5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.060 6.602 -7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.996 3.904 -5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.102 4.055 -7.425 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.480 3.003 -6.131 1.00 0.00 H new ATOM 1148 N VAL A 77 0.708 7.512 -6.061 1.00 0.00 N ATOM 1149 CA VAL A 77 1.403 8.650 -5.471 1.00 0.00 C ATOM 1150 C VAL A 77 0.459 9.488 -4.618 1.00 0.00 C ATOM 1151 O VAL A 77 -0.722 9.632 -4.937 1.00 0.00 O ATOM 1152 CB VAL A 77 2.031 9.547 -6.555 1.00 0.00 C ATOM 1153 CG1 VAL A 77 0.979 10.452 -7.175 1.00 0.00 C ATOM 1154 CG2 VAL A 77 3.173 10.366 -5.971 1.00 0.00 C ATOM 0 H VAL A 77 0.005 7.761 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 77 2.195 8.246 -4.841 1.00 0.00 H new ATOM 0 HB VAL A 77 2.435 8.909 -7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.442 11.078 -7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.198 9.843 -7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.542 11.085 -6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.606 10.994 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.795 10.995 -5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.938 9.696 -5.579 1.00 0.00 H new ATOM 1164 N LEU A 78 0.985 10.040 -3.530 1.00 0.00 N ATOM 1165 CA LEU A 78 0.189 10.867 -2.629 1.00 0.00 C ATOM 1166 C LEU A 78 0.548 12.341 -2.781 1.00 0.00 C ATOM 1167 O LEU A 78 1.698 12.685 -3.053 1.00 0.00 O ATOM 1168 CB LEU A 78 0.401 10.425 -1.179 1.00 0.00 C ATOM 1169 CG LEU A 78 -0.109 9.029 -0.822 1.00 0.00 C ATOM 1170 CD1 LEU A 78 0.433 8.594 0.532 1.00 0.00 C ATOM 1171 CD2 LEU A 78 -1.630 9.001 -0.824 1.00 0.00 C ATOM 0 H LEU A 78 1.960 9.930 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.861 10.740 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.468 10.467 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.088 11.147 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 78 0.248 8.328 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.060 7.598 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.522 8.575 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.106 9.297 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.976 8.000 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.008 9.714 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.998 9.269 -1.814 1.00 0.00 H new ATOM 1183 N ASN A 79 -0.443 13.208 -2.602 1.00 0.00 N ATOM 1184 CA ASN A 79 -0.231 14.646 -2.718 1.00 0.00 C ATOM 1185 C ASN A 79 -0.880 15.387 -1.553 1.00 0.00 C ATOM 1186 O ASN A 79 -1.692 14.824 -0.821 1.00 0.00 O ATOM 1187 CB ASN A 79 -0.797 15.161 -4.043 1.00 0.00 C ATOM 1188 CG ASN A 79 -0.716 14.125 -5.148 1.00 0.00 C ATOM 1189 OD1 ASN A 79 -0.020 14.317 -6.145 1.00 0.00 O ATOM 1190 ND2 ASN A 79 -1.430 13.018 -4.974 1.00 0.00 N ATOM 0 H ASN A 79 -1.401 12.940 -2.376 1.00 0.00 H new ATOM 0 HA ASN A 79 0.843 14.833 -2.692 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.837 15.456 -3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.251 16.054 -4.346 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.415 12.285 -5.683 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.993 12.901 -4.131 1.00 0.00 H new ATOM 1197 N ASN A 80 -0.516 16.656 -1.390 1.00 0.00 N ATOM 1198 CA ASN A 80 -1.063 17.474 -0.314 1.00 0.00 C ATOM 1199 C ASN A 80 -0.460 17.078 1.032 1.00 0.00 C ATOM 1200 O ASN A 80 -1.183 16.788 1.985 1.00 0.00 O ATOM 1201 CB ASN A 80 -2.585 17.337 -0.264 1.00 0.00 C ATOM 1202 CG ASN A 80 -3.247 18.499 0.452 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -2.607 19.212 1.226 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -4.536 18.693 0.199 1.00 0.00 N ATOM 0 H ASN A 80 0.154 17.139 -1.989 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.805 18.514 -0.515 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.975 17.270 -1.280 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.847 16.407 0.240 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.035 19.458 0.653 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.027 18.077 -0.450 1.00 0.00 H new ATOM 1211 N LEU A 81 0.866 17.069 1.100 1.00 0.00 N ATOM 1212 CA LEU A 81 1.566 16.711 2.327 1.00 0.00 C ATOM 1213 C LEU A 81 2.620 17.756 2.680 1.00 0.00 C ATOM 1214 O LEU A 81 3.242 18.345 1.796 1.00 0.00 O ATOM 1215 CB LEU A 81 2.224 15.337 2.181 1.00 0.00 C ATOM 1216 CG LEU A 81 1.422 14.289 1.407 1.00 0.00 C ATOM 1217 CD1 LEU A 81 2.311 13.118 1.017 1.00 0.00 C ATOM 1218 CD2 LEU A 81 0.235 13.811 2.230 1.00 0.00 C ATOM 0 H LEU A 81 1.478 17.306 0.319 1.00 0.00 H new ATOM 0 HA LEU A 81 0.834 16.673 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.186 15.468 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.428 14.946 3.178 1.00 0.00 H new ATOM 0 HG LEU A 81 1.043 14.750 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.724 12.383 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.127 13.474 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.720 12.657 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.324 13.066 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.592 13.368 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.414 14.656 2.457 1.00 0.00 H new ATOM 1230 N GLU A 82 2.817 17.978 3.976 1.00 0.00 N ATOM 1231 CA GLU A 82 3.797 18.952 4.443 1.00 0.00 C ATOM 1232 C GLU A 82 5.189 18.331 4.515 1.00 0.00 C ATOM 1233 O GLU A 82 5.355 17.155 4.843 1.00 0.00 O ATOM 1234 CB GLU A 82 3.396 19.492 5.817 1.00 0.00 C ATOM 1235 CG GLU A 82 2.202 20.431 5.777 1.00 0.00 C ATOM 1236 CD GLU A 82 1.089 19.921 4.881 1.00 0.00 C ATOM 1237 OE1 GLU A 82 0.404 18.954 5.275 1.00 0.00 O ATOM 1238 OE2 GLU A 82 0.903 20.491 3.785 1.00 0.00 O ATOM 0 H GLU A 82 2.312 17.497 4.720 1.00 0.00 H new ATOM 0 HA GLU A 82 3.822 19.776 3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.166 18.654 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.246 20.017 6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.817 20.566 6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.526 21.411 5.426 1.00 0.00 H new ATOM 1245 N PRO A 83 6.213 19.137 4.201 1.00 0.00 N ATOM 1246 CA PRO A 83 7.609 18.689 4.223 1.00 0.00 C ATOM 1247 C PRO A 83 8.114 18.437 5.639 1.00 0.00 C ATOM 1248 O PRO A 83 7.516 18.891 6.612 1.00 0.00 O ATOM 1249 CB PRO A 83 8.365 19.857 3.585 1.00 0.00 C ATOM 1250 CG PRO A 83 7.506 21.048 3.835 1.00 0.00 C ATOM 1251 CD PRO A 83 6.088 20.549 3.801 1.00 0.00 C ATOM 0 HA PRO A 83 7.742 17.741 3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.352 19.980 4.031 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.516 19.695 2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.737 21.501 4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.669 21.813 3.076 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.450 21.106 4.487 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.651 20.648 2.807 1.00 0.00 H new ATOM 1259 N ASN A 84 9.221 17.707 5.746 1.00 0.00 N ATOM 1260 CA ASN A 84 9.807 17.393 7.044 1.00 0.00 C ATOM 1261 C ASN A 84 8.737 16.927 8.025 1.00 0.00 C ATOM 1262 O ASN A 84 8.772 17.268 9.208 1.00 0.00 O ATOM 1263 CB ASN A 84 10.534 18.616 7.606 1.00 0.00 C ATOM 1264 CG ASN A 84 11.481 18.256 8.735 1.00 0.00 C ATOM 1265 OD1 ASN A 84 11.179 17.399 9.565 1.00 0.00 O ATOM 1266 ND2 ASN A 84 12.636 18.913 8.771 1.00 0.00 N ATOM 0 H ASN A 84 9.729 17.322 4.950 1.00 0.00 H new ATOM 0 HA ASN A 84 10.524 16.584 6.906 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.094 19.102 6.807 1.00 0.00 H new ATOM 0 HB3 ASN A 84 9.801 19.338 7.966 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.313 18.714 9.507 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.845 19.616 8.062 1.00 0.00 H new ATOM 1273 N THR A 85 7.784 16.145 7.528 1.00 0.00 N ATOM 1274 CA THR A 85 6.704 15.632 8.359 1.00 0.00 C ATOM 1275 C THR A 85 6.557 14.123 8.202 1.00 0.00 C ATOM 1276 O THR A 85 6.957 13.552 7.187 1.00 0.00 O ATOM 1277 CB THR A 85 5.361 16.306 8.016 1.00 0.00 C ATOM 1278 OG1 THR A 85 5.429 17.707 8.305 1.00 0.00 O ATOM 1279 CG2 THR A 85 4.222 15.674 8.802 1.00 0.00 C ATOM 0 H THR A 85 7.739 15.853 6.552 1.00 0.00 H new ATOM 0 HA THR A 85 6.965 15.863 9.392 1.00 0.00 H new ATOM 0 HB THR A 85 5.169 16.164 6.953 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.122 18.122 7.751 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.284 16.166 8.543 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.155 14.614 8.557 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.409 15.788 9.870 1.00 0.00 H new ATOM 1287 N THR A 86 5.979 13.480 9.212 1.00 0.00 N ATOM 1288 CA THR A 86 5.779 12.037 9.185 1.00 0.00 C ATOM 1289 C THR A 86 4.303 11.688 9.037 1.00 0.00 C ATOM 1290 O THR A 86 3.441 12.324 9.645 1.00 0.00 O ATOM 1291 CB THR A 86 6.327 11.370 10.461 1.00 0.00 C ATOM 1292 OG1 THR A 86 7.689 11.758 10.670 1.00 0.00 O ATOM 1293 CG2 THR A 86 6.235 9.855 10.362 1.00 0.00 C ATOM 0 H THR A 86 5.641 13.937 10.059 1.00 0.00 H new ATOM 0 HA THR A 86 6.327 11.659 8.322 1.00 0.00 H new ATOM 0 HB THR A 86 5.722 11.700 11.306 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.029 11.331 11.484 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.628 9.406 11.274 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.193 9.561 10.233 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.818 9.510 9.508 1.00 0.00 H new ATOM 1301 N TYR A 87 4.016 10.676 8.226 1.00 0.00 N ATOM 1302 CA TYR A 87 2.643 10.244 7.997 1.00 0.00 C ATOM 1303 C TYR A 87 2.545 8.722 7.983 1.00 0.00 C ATOM 1304 O TYR A 87 3.450 8.035 7.511 1.00 0.00 O ATOM 1305 CB TYR A 87 2.121 10.812 6.676 1.00 0.00 C ATOM 1306 CG TYR A 87 2.380 12.292 6.509 1.00 0.00 C ATOM 1307 CD1 TYR A 87 3.658 12.770 6.247 1.00 0.00 C ATOM 1308 CD2 TYR A 87 1.345 13.214 6.612 1.00 0.00 C ATOM 1309 CE1 TYR A 87 3.898 14.122 6.095 1.00 0.00 C ATOM 1310 CE2 TYR A 87 1.575 14.568 6.459 1.00 0.00 C ATOM 1311 CZ TYR A 87 2.855 15.017 6.202 1.00 0.00 C ATOM 1312 OH TYR A 87 3.090 16.363 6.049 1.00 0.00 O ATOM 0 H TYR A 87 4.717 10.139 7.716 1.00 0.00 H new ATOM 0 HA TYR A 87 2.030 10.621 8.815 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.587 10.275 5.850 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.048 10.630 6.610 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.478 12.073 6.161 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.343 12.866 6.815 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.898 14.476 5.893 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.759 15.270 6.540 1.00 0.00 H new ATOM 0 HH TYR A 87 3.863 16.495 5.461 1.00 0.00 H new ATOM 1322 N GLU A 88 1.438 8.202 8.504 1.00 0.00 N ATOM 1323 CA GLU A 88 1.221 6.761 8.553 1.00 0.00 C ATOM 1324 C GLU A 88 0.292 6.313 7.428 1.00 0.00 C ATOM 1325 O GLU A 88 -0.847 6.770 7.330 1.00 0.00 O ATOM 1326 CB GLU A 88 0.633 6.356 9.906 1.00 0.00 C ATOM 1327 CG GLU A 88 1.281 7.061 11.086 1.00 0.00 C ATOM 1328 CD GLU A 88 0.610 6.727 12.404 1.00 0.00 C ATOM 1329 OE1 GLU A 88 0.362 5.531 12.658 1.00 0.00 O ATOM 1330 OE2 GLU A 88 0.333 7.665 13.182 1.00 0.00 O ATOM 0 H GLU A 88 0.678 8.757 8.898 1.00 0.00 H new ATOM 0 HA GLU A 88 2.185 6.270 8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.436 6.571 9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.742 5.279 10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.334 6.783 11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.244 8.139 10.926 1.00 0.00 H new ATOM 1337 N ILE A 89 0.787 5.416 6.581 1.00 0.00 N ATOM 1338 CA ILE A 89 0.002 4.906 5.463 1.00 0.00 C ATOM 1339 C ILE A 89 -0.201 3.399 5.577 1.00 0.00 C ATOM 1340 O ILE A 89 0.658 2.684 6.097 1.00 0.00 O ATOM 1341 CB ILE A 89 0.673 5.222 4.114 1.00 0.00 C ATOM 1342 CG1 ILE A 89 0.192 4.244 3.039 1.00 0.00 C ATOM 1343 CG2 ILE A 89 2.187 5.166 4.249 1.00 0.00 C ATOM 1344 CD1 ILE A 89 0.545 4.671 1.632 1.00 0.00 C ATOM 0 H ILE A 89 1.728 5.028 6.648 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.966 5.405 5.503 1.00 0.00 H new ATOM 0 HB ILE A 89 0.392 6.231 3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.626 3.263 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.890 4.135 3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.647 5.392 3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.514 5.898 4.988 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.487 4.168 4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.173 3.931 0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.089 5.638 1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.628 4.752 1.537 1.00 0.00 H new ATOM 1356 N ARG A 90 -1.340 2.922 5.087 1.00 0.00 N ATOM 1357 CA ARG A 90 -1.656 1.499 5.133 1.00 0.00 C ATOM 1358 C ARG A 90 -2.350 1.054 3.849 1.00 0.00 C ATOM 1359 O ARG A 90 -3.313 1.679 3.404 1.00 0.00 O ATOM 1360 CB ARG A 90 -2.544 1.191 6.340 1.00 0.00 C ATOM 1361 CG ARG A 90 -3.719 2.143 6.490 1.00 0.00 C ATOM 1362 CD ARG A 90 -4.353 2.032 7.868 1.00 0.00 C ATOM 1363 NE ARG A 90 -5.692 2.613 7.901 1.00 0.00 N ATOM 1364 CZ ARG A 90 -6.376 2.818 9.022 1.00 0.00 C ATOM 1365 NH1 ARG A 90 -5.849 2.491 10.194 1.00 0.00 N ATOM 1366 NH2 ARG A 90 -7.590 3.350 8.972 1.00 0.00 N ATOM 0 H ARG A 90 -2.060 3.500 4.653 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.721 0.947 5.229 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.922 0.172 6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.938 1.229 7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.383 3.167 6.324 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.465 1.925 5.726 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.405 0.983 8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.721 2.535 8.600 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.126 2.876 7.016 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.916 2.081 10.237 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.377 2.650 11.052 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.000 3.602 8.073 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.114 3.507 9.833 1.00 0.00 H new ATOM 1380 N VAL A 91 -1.855 -0.028 3.259 1.00 0.00 N ATOM 1381 CA VAL A 91 -2.428 -0.556 2.027 1.00 0.00 C ATOM 1382 C VAL A 91 -3.336 -1.747 2.310 1.00 0.00 C ATOM 1383 O VAL A 91 -2.956 -2.675 3.023 1.00 0.00 O ATOM 1384 CB VAL A 91 -1.329 -0.987 1.036 1.00 0.00 C ATOM 1385 CG1 VAL A 91 -1.936 -1.353 -0.310 1.00 0.00 C ATOM 1386 CG2 VAL A 91 -0.291 0.114 0.880 1.00 0.00 C ATOM 0 H VAL A 91 -1.058 -0.557 3.614 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.015 0.247 1.581 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.831 -1.871 1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.145 -1.655 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.638 -2.177 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.461 -0.490 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.477 -0.207 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.772 1.017 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.167 0.322 1.847 1.00 0.00 H new ATOM 1396 N ALA A 92 -4.538 -1.714 1.745 1.00 0.00 N ATOM 1397 CA ALA A 92 -5.502 -2.792 1.934 1.00 0.00 C ATOM 1398 C ALA A 92 -6.207 -3.135 0.626 1.00 0.00 C ATOM 1399 O ALA A 92 -6.401 -2.272 -0.229 1.00 0.00 O ATOM 1400 CB ALA A 92 -6.518 -2.411 3.001 1.00 0.00 C ATOM 0 H ALA A 92 -4.868 -0.952 1.152 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.959 -3.677 2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.231 -3.225 3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.003 -2.225 3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.048 -1.510 2.693 1.00 0.00 H new ATOM 1406 N ALA A 93 -6.587 -4.399 0.478 1.00 0.00 N ATOM 1407 CA ALA A 93 -7.274 -4.855 -0.725 1.00 0.00 C ATOM 1408 C ALA A 93 -8.778 -4.947 -0.498 1.00 0.00 C ATOM 1409 O ALA A 93 -9.234 -5.565 0.464 1.00 0.00 O ATOM 1410 CB ALA A 93 -6.721 -6.201 -1.170 1.00 0.00 C ATOM 0 H ALA A 93 -6.431 -5.126 1.176 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.097 -4.123 -1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.243 -6.530 -2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.656 -6.104 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.867 -6.935 -0.377 1.00 0.00 H new ATOM 1416 N VAL A 94 -9.545 -4.328 -1.390 1.00 0.00 N ATOM 1417 CA VAL A 94 -11.000 -4.342 -1.287 1.00 0.00 C ATOM 1418 C VAL A 94 -11.627 -5.093 -2.455 1.00 0.00 C ATOM 1419 O VAL A 94 -11.382 -4.771 -3.617 1.00 0.00 O ATOM 1420 CB VAL A 94 -11.572 -2.912 -1.245 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -13.093 -2.944 -1.261 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -11.060 -2.170 -0.019 1.00 0.00 C ATOM 0 H VAL A 94 -9.184 -3.811 -2.192 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.247 -4.853 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.234 -2.378 -2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.479 -1.925 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.437 -3.435 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.454 -3.495 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.474 -1.162 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.367 -2.701 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.972 -2.115 -0.055 1.00 0.00 H new ATOM 1432 N ASN A 95 -12.439 -6.097 -2.139 1.00 0.00 N ATOM 1433 CA ASN A 95 -13.102 -6.895 -3.162 1.00 0.00 C ATOM 1434 C ASN A 95 -14.618 -6.850 -2.992 1.00 0.00 C ATOM 1435 O ASN A 95 -15.129 -6.250 -2.047 1.00 0.00 O ATOM 1436 CB ASN A 95 -12.615 -8.345 -3.105 1.00 0.00 C ATOM 1437 CG ASN A 95 -13.209 -9.107 -1.936 1.00 0.00 C ATOM 1438 OD1 ASN A 95 -13.798 -8.517 -1.030 1.00 0.00 O ATOM 1439 ND2 ASN A 95 -13.055 -10.427 -1.951 1.00 0.00 N ATOM 0 H ASN A 95 -12.653 -6.377 -1.182 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.850 -6.472 -4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -12.876 -8.850 -4.035 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.528 -8.358 -3.029 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.432 -10.993 -1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.560 -10.874 -2.723 1.00 0.00 H new ATOM 1446 N GLY A 96 -15.331 -7.490 -3.913 1.00 0.00 N ATOM 1447 CA GLY A 96 -16.781 -7.511 -3.846 1.00 0.00 C ATOM 1448 C GLY A 96 -17.293 -7.806 -2.450 1.00 0.00 C ATOM 1449 O GLY A 96 -18.414 -7.437 -2.099 1.00 0.00 O ATOM 0 H GLY A 96 -14.931 -7.994 -4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -17.171 -6.548 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.163 -8.263 -4.536 1.00 0.00 H new ATOM 1453 N LYS A 97 -16.471 -8.478 -1.650 1.00 0.00 N ATOM 1454 CA LYS A 97 -16.845 -8.825 -0.284 1.00 0.00 C ATOM 1455 C LYS A 97 -16.826 -7.592 0.614 1.00 0.00 C ATOM 1456 O LYS A 97 -17.804 -7.297 1.301 1.00 0.00 O ATOM 1457 CB LYS A 97 -15.897 -9.889 0.272 1.00 0.00 C ATOM 1458 CG LYS A 97 -16.542 -10.801 1.301 1.00 0.00 C ATOM 1459 CD LYS A 97 -17.180 -12.016 0.647 1.00 0.00 C ATOM 1460 CE LYS A 97 -18.634 -11.755 0.284 1.00 0.00 C ATOM 1461 NZ LYS A 97 -19.410 -11.237 1.444 1.00 0.00 N ATOM 0 H LYS A 97 -15.541 -8.793 -1.925 1.00 0.00 H new ATOM 0 HA LYS A 97 -17.859 -9.225 -0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.520 -10.495 -0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.036 -9.396 0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.792 -11.126 2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.298 -10.247 1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.622 -12.282 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -17.120 -12.868 1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.681 -11.037 -0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.090 -12.678 -0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -20.402 -11.537 1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.008 -11.614 2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.362 -10.198 1.458 1.00 0.00 H new ATOM 1475 N GLY A 98 -15.706 -6.875 0.605 1.00 0.00 N ATOM 1476 CA GLY A 98 -15.582 -5.683 1.423 1.00 0.00 C ATOM 1477 C GLY A 98 -14.148 -5.205 1.537 1.00 0.00 C ATOM 1478 O GLY A 98 -13.424 -5.153 0.544 1.00 0.00 O ATOM 0 H GLY A 98 -14.883 -7.099 0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.194 -4.888 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.974 -5.887 2.419 1.00 0.00 H new ATOM 1482 N GLN A 99 -13.739 -4.853 2.752 1.00 0.00 N ATOM 1483 CA GLN A 99 -12.381 -4.375 2.991 1.00 0.00 C ATOM 1484 C GLN A 99 -11.598 -5.365 3.846 1.00 0.00 C ATOM 1485 O GLN A 99 -11.773 -5.425 5.063 1.00 0.00 O ATOM 1486 CB GLN A 99 -12.415 -3.007 3.675 1.00 0.00 C ATOM 1487 CG GLN A 99 -11.055 -2.330 3.745 1.00 0.00 C ATOM 1488 CD GLN A 99 -11.156 -0.818 3.779 1.00 0.00 C ATOM 1489 OE1 GLN A 99 -11.938 -0.255 4.547 1.00 0.00 O ATOM 1490 NE2 GLN A 99 -10.367 -0.152 2.946 1.00 0.00 N ATOM 0 H GLN A 99 -14.327 -4.889 3.585 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.880 -4.281 2.028 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -13.108 -2.359 3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.806 -3.125 4.686 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.527 -2.675 4.634 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.459 -2.631 2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.734 -0.659 2.327 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -10.393 0.867 2.924 1.00 0.00 H new ATOM 1499 N GLY A 100 -10.733 -6.143 3.200 1.00 0.00 N ATOM 1500 CA GLY A 100 -9.936 -7.121 3.917 1.00 0.00 C ATOM 1501 C GLY A 100 -9.103 -6.495 5.018 1.00 0.00 C ATOM 1502 O GLY A 100 -9.411 -5.402 5.494 1.00 0.00 O ATOM 0 H GLY A 100 -10.571 -6.113 2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.594 -7.876 4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.279 -7.634 3.215 1.00 0.00 H new ATOM 1506 N ASP A 101 -8.045 -7.189 5.424 1.00 0.00 N ATOM 1507 CA ASP A 101 -7.164 -6.694 6.477 1.00 0.00 C ATOM 1508 C ASP A 101 -6.214 -5.632 5.934 1.00 0.00 C ATOM 1509 O ASP A 101 -5.930 -5.591 4.737 1.00 0.00 O ATOM 1510 CB ASP A 101 -6.366 -7.848 7.086 1.00 0.00 C ATOM 1511 CG ASP A 101 -5.980 -7.585 8.528 1.00 0.00 C ATOM 1512 OD1 ASP A 101 -5.225 -6.622 8.773 1.00 0.00 O ATOM 1513 OD2 ASP A 101 -6.431 -8.345 9.411 1.00 0.00 O ATOM 0 H ASP A 101 -7.776 -8.095 5.041 1.00 0.00 H new ATOM 0 HA ASP A 101 -7.782 -6.241 7.252 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.956 -8.763 7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.465 -8.014 6.496 1.00 0.00 H new ATOM 1518 N TYR A 102 -5.726 -4.774 6.823 1.00 0.00 N ATOM 1519 CA TYR A 102 -4.810 -3.709 6.434 1.00 0.00 C ATOM 1520 C TYR A 102 -3.359 -4.136 6.639 1.00 0.00 C ATOM 1521 O TYR A 102 -3.022 -4.771 7.637 1.00 0.00 O ATOM 1522 CB TYR A 102 -5.097 -2.441 7.238 1.00 0.00 C ATOM 1523 CG TYR A 102 -6.269 -1.642 6.711 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -7.574 -1.991 7.034 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -6.069 -0.539 5.890 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -8.647 -1.265 6.554 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -7.136 0.194 5.407 1.00 0.00 C ATOM 1528 CZ TYR A 102 -8.423 -0.173 5.742 1.00 0.00 C ATOM 1529 OH TYR A 102 -9.489 0.553 5.262 1.00 0.00 O ATOM 0 H TYR A 102 -5.950 -4.795 7.818 1.00 0.00 H new ATOM 0 HA TYR A 102 -4.964 -3.502 5.375 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.291 -2.715 8.275 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.208 -1.810 7.236 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.753 -2.844 7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.063 -0.250 5.625 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.656 -1.551 6.813 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.963 1.049 4.771 1.00 0.00 H new ATOM 0 HH TYR A 102 -10.305 0.288 5.735 1.00 0.00 H new ATOM 1539 N SER A 103 -2.504 -3.780 5.684 1.00 0.00 N ATOM 1540 CA SER A 103 -1.090 -4.128 5.757 1.00 0.00 C ATOM 1541 C SER A 103 -0.434 -3.487 6.975 1.00 0.00 C ATOM 1542 O SER A 103 -0.997 -2.583 7.595 1.00 0.00 O ATOM 1543 CB SER A 103 -0.368 -3.685 4.482 1.00 0.00 C ATOM 1544 OG SER A 103 0.988 -3.371 4.748 1.00 0.00 O ATOM 0 H SER A 103 -2.766 -3.251 4.852 1.00 0.00 H new ATOM 0 HA SER A 103 -1.012 -5.211 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.422 -4.478 3.736 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.870 -2.815 4.059 1.00 0.00 H new ATOM 0 HG SER A 103 1.569 -3.955 4.217 1.00 0.00 H new ATOM 1550 N LYS A 104 0.760 -3.961 7.316 1.00 0.00 N ATOM 1551 CA LYS A 104 1.496 -3.434 8.459 1.00 0.00 C ATOM 1552 C LYS A 104 1.655 -1.921 8.353 1.00 0.00 C ATOM 1553 O LYS A 104 2.394 -1.423 7.504 1.00 0.00 O ATOM 1554 CB LYS A 104 2.872 -4.098 8.555 1.00 0.00 C ATOM 1555 CG LYS A 104 3.424 -4.149 9.969 1.00 0.00 C ATOM 1556 CD LYS A 104 4.784 -4.825 10.012 1.00 0.00 C ATOM 1557 CE LYS A 104 5.510 -4.535 11.316 1.00 0.00 C ATOM 1558 NZ LYS A 104 6.001 -3.130 11.377 1.00 0.00 N ATOM 0 H LYS A 104 1.239 -4.710 6.816 1.00 0.00 H new ATOM 0 HA LYS A 104 0.927 -3.659 9.361 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.805 -5.113 8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.573 -3.557 7.919 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.507 -3.137 10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.729 -4.687 10.613 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.660 -5.902 9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.389 -4.481 9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.839 -4.722 12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.352 -5.219 11.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.697 -3.038 12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.449 -2.879 10.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.201 -2.490 11.556 1.00 0.00 H new ATOM 1572 N ILE A 105 0.958 -1.196 9.221 1.00 0.00 N ATOM 1573 CA ILE A 105 1.025 0.261 9.227 1.00 0.00 C ATOM 1574 C ILE A 105 2.415 0.748 8.833 1.00 0.00 C ATOM 1575 O ILE A 105 3.403 0.441 9.497 1.00 0.00 O ATOM 1576 CB ILE A 105 0.665 0.835 10.610 1.00 0.00 C ATOM 1577 CG1 ILE A 105 -0.791 0.513 10.957 1.00 0.00 C ATOM 1578 CG2 ILE A 105 0.901 2.338 10.636 1.00 0.00 C ATOM 1579 CD1 ILE A 105 -1.793 1.204 10.060 1.00 0.00 C ATOM 0 H ILE A 105 0.340 -1.593 9.929 1.00 0.00 H new ATOM 0 HA ILE A 105 0.298 0.614 8.496 1.00 0.00 H new ATOM 0 HB ILE A 105 1.308 0.372 11.358 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.941 -0.565 10.893 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.982 0.801 11.991 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.642 2.730 11.620 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.951 2.545 10.427 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.279 2.817 9.880 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.803 0.930 10.364 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.670 2.284 10.141 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.629 0.897 9.027 1.00 0.00 H new ATOM 1591 N GLU A 106 2.482 1.512 7.746 1.00 0.00 N ATOM 1592 CA GLU A 106 3.750 2.043 7.263 1.00 0.00 C ATOM 1593 C GLU A 106 3.928 3.498 7.688 1.00 0.00 C ATOM 1594 O GLU A 106 2.956 4.248 7.793 1.00 0.00 O ATOM 1595 CB GLU A 106 3.830 1.932 5.739 1.00 0.00 C ATOM 1596 CG GLU A 106 3.920 0.500 5.238 1.00 0.00 C ATOM 1597 CD GLU A 106 5.308 -0.087 5.398 1.00 0.00 C ATOM 1598 OE1 GLU A 106 6.270 0.514 4.874 1.00 0.00 O ATOM 1599 OE2 GLU A 106 5.434 -1.148 6.045 1.00 0.00 O ATOM 0 H GLU A 106 1.673 1.776 7.184 1.00 0.00 H new ATOM 0 HA GLU A 106 4.552 1.452 7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.952 2.407 5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.700 2.487 5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.204 -0.117 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.635 0.468 4.186 1.00 0.00 H new ATOM 1606 N ILE A 107 5.174 3.891 7.930 1.00 0.00 N ATOM 1607 CA ILE A 107 5.479 5.255 8.342 1.00 0.00 C ATOM 1608 C ILE A 107 6.571 5.862 7.469 1.00 0.00 C ATOM 1609 O ILE A 107 7.715 5.405 7.478 1.00 0.00 O ATOM 1610 CB ILE A 107 5.924 5.312 9.815 1.00 0.00 C ATOM 1611 CG1 ILE A 107 4.876 4.652 10.714 1.00 0.00 C ATOM 1612 CG2 ILE A 107 6.164 6.753 10.241 1.00 0.00 C ATOM 1613 CD1 ILE A 107 5.367 4.385 12.120 1.00 0.00 C ATOM 0 H ILE A 107 5.989 3.283 7.848 1.00 0.00 H new ATOM 0 HA ILE A 107 4.562 5.832 8.226 1.00 0.00 H new ATOM 0 HB ILE A 107 6.860 4.763 9.917 1.00 0.00 H new ATOM 0 HG12 ILE A 107 3.995 5.292 10.761 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.563 3.711 10.262 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.478 6.776 11.285 1.00 0.00 H new ATOM 0 HG22 ILE A 107 6.943 7.192 9.618 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.243 7.325 10.126 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.572 3.916 12.700 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.230 3.720 12.084 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.653 5.326 12.590 1.00 0.00 H new ATOM 1625 N PHE A 108 6.212 6.896 6.715 1.00 0.00 N ATOM 1626 CA PHE A 108 7.162 7.567 5.835 1.00 0.00 C ATOM 1627 C PHE A 108 7.179 9.070 6.099 1.00 0.00 C ATOM 1628 O PHE A 108 6.129 9.704 6.201 1.00 0.00 O ATOM 1629 CB PHE A 108 6.810 7.299 4.371 1.00 0.00 C ATOM 1630 CG PHE A 108 5.556 7.991 3.919 1.00 0.00 C ATOM 1631 CD1 PHE A 108 5.531 9.365 3.744 1.00 0.00 C ATOM 1632 CD2 PHE A 108 4.401 7.267 3.670 1.00 0.00 C ATOM 1633 CE1 PHE A 108 4.378 10.004 3.328 1.00 0.00 C ATOM 1634 CE2 PHE A 108 3.246 7.900 3.253 1.00 0.00 C ATOM 1635 CZ PHE A 108 3.234 9.272 3.083 1.00 0.00 C ATOM 0 H PHE A 108 5.270 7.287 6.696 1.00 0.00 H new ATOM 0 HA PHE A 108 8.155 7.168 6.041 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.640 7.621 3.742 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.696 6.225 4.224 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.423 9.944 3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.404 6.195 3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.372 11.076 3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.353 7.324 3.060 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.332 9.770 2.759 1.00 0.00 H new ATOM 1645 N GLN A 109 8.379 9.632 6.207 1.00 0.00 N ATOM 1646 CA GLN A 109 8.532 11.060 6.460 1.00 0.00 C ATOM 1647 C GLN A 109 8.982 11.790 5.200 1.00 0.00 C ATOM 1648 O GLN A 109 9.983 11.427 4.583 1.00 0.00 O ATOM 1649 CB GLN A 109 9.540 11.293 7.588 1.00 0.00 C ATOM 1650 CG GLN A 109 9.871 12.759 7.813 1.00 0.00 C ATOM 1651 CD GLN A 109 11.095 12.954 8.686 1.00 0.00 C ATOM 1652 OE1 GLN A 109 11.830 12.006 8.965 1.00 0.00 O ATOM 1653 NE2 GLN A 109 11.321 14.187 9.124 1.00 0.00 N ATOM 0 H GLN A 109 9.258 9.121 6.123 1.00 0.00 H new ATOM 0 HA GLN A 109 7.563 11.457 6.761 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.143 10.873 8.512 1.00 0.00 H new ATOM 0 HB3 GLN A 109 10.459 10.752 7.361 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.036 13.242 6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.017 13.253 8.276 1.00 0.00 H new ATOM 0 HE21 GLN A 109 10.686 14.943 8.869 1.00 0.00 H new ATOM 0 HE22 GLN A 109 12.130 14.378 9.716 1.00 0.00 H new ATOM 1662 N THR A 110 8.235 12.823 4.823 1.00 0.00 N ATOM 1663 CA THR A 110 8.556 13.605 3.635 1.00 0.00 C ATOM 1664 C THR A 110 9.937 14.238 3.750 1.00 0.00 C ATOM 1665 O THR A 110 10.511 14.309 4.838 1.00 0.00 O ATOM 1666 CB THR A 110 7.513 14.713 3.393 1.00 0.00 C ATOM 1667 OG1 THR A 110 7.433 15.567 4.540 1.00 0.00 O ATOM 1668 CG2 THR A 110 6.145 14.115 3.103 1.00 0.00 C ATOM 0 H THR A 110 7.404 13.138 5.323 1.00 0.00 H new ATOM 0 HA THR A 110 8.545 12.916 2.791 1.00 0.00 H new ATOM 0 HB THR A 110 7.827 15.295 2.527 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.598 16.078 4.509 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.426 14.917 2.936 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.203 13.488 2.213 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.824 13.511 3.952 1.00 0.00 H new ATOM 1676 N LEU A 111 10.467 14.699 2.623 1.00 0.00 N ATOM 1677 CA LEU A 111 11.783 15.329 2.597 1.00 0.00 C ATOM 1678 C LEU A 111 11.683 16.814 2.932 1.00 0.00 C ATOM 1679 O LEU A 111 10.740 17.501 2.541 1.00 0.00 O ATOM 1680 CB LEU A 111 12.431 15.147 1.224 1.00 0.00 C ATOM 1681 CG LEU A 111 12.626 13.704 0.759 1.00 0.00 C ATOM 1682 CD1 LEU A 111 12.920 13.657 -0.733 1.00 0.00 C ATOM 1683 CD2 LEU A 111 13.745 13.036 1.546 1.00 0.00 C ATOM 0 H LEU A 111 10.006 14.649 1.715 1.00 0.00 H new ATOM 0 HA LEU A 111 12.404 14.846 3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.821 15.666 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.404 15.638 1.236 1.00 0.00 H new ATOM 0 HG LEU A 111 11.702 13.156 0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.056 12.621 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.086 14.095 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 111 13.829 14.221 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.870 12.009 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.674 13.585 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.493 13.035 2.607 1.00 0.00 H new ATOM 1695 N PRO A 112 12.679 17.322 3.672 1.00 0.00 N ATOM 1696 CA PRO A 112 12.727 18.730 4.075 1.00 0.00 C ATOM 1697 C PRO A 112 12.998 19.661 2.896 1.00 0.00 C ATOM 1698 O PRO A 112 14.044 19.577 2.254 1.00 0.00 O ATOM 1699 CB PRO A 112 13.891 18.776 5.069 1.00 0.00 C ATOM 1700 CG PRO A 112 14.761 17.629 4.688 1.00 0.00 C ATOM 1701 CD PRO A 112 13.835 16.560 4.175 1.00 0.00 C ATOM 0 HA PRO A 112 11.778 19.067 4.493 1.00 0.00 H new ATOM 0 HB2 PRO A 112 14.430 19.721 5.003 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.538 18.681 6.096 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.481 17.922 3.923 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.333 17.272 5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.301 15.969 3.386 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.546 15.866 4.964 1.00 0.00 H new ATOM 1709 N VAL A 113 12.048 20.547 2.619 1.00 0.00 N ATOM 1710 CA VAL A 113 12.184 21.494 1.519 1.00 0.00 C ATOM 1711 C VAL A 113 13.631 21.943 1.356 1.00 0.00 C ATOM 1712 O VAL A 113 14.253 22.424 2.304 1.00 0.00 O ATOM 1713 CB VAL A 113 11.294 22.733 1.732 1.00 0.00 C ATOM 1714 CG1 VAL A 113 11.557 23.772 0.651 1.00 0.00 C ATOM 1715 CG2 VAL A 113 9.825 22.337 1.755 1.00 0.00 C ATOM 0 H VAL A 113 11.176 20.629 3.141 1.00 0.00 H new ATOM 0 HA VAL A 113 11.863 20.977 0.615 1.00 0.00 H new ATOM 0 HB VAL A 113 11.543 23.175 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 113 10.919 24.640 0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 113 12.603 24.078 0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.338 23.343 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.211 23.225 1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.559 21.870 0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 113 9.651 21.632 2.568 1.00 0.00 H new