USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 618 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 89 GLN : amide:sc= -3.41! C(o=-5.4!,f=-13!) USER MOD Set 1.2: A 90 HIS : no HE2:sc= -1.97 K(o=-5.4,f=-7.9!) USER MOD Set 2.1: A 60 THR OG1 : rot 180:sc= -0.246 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -177:sc= -0.0719 (180deg=-0.303) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0689 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.374 F(o=-1.5!,f=-0.37) USER MOD Single : A 25 GLN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0.933 (180deg=0.875) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.28! C(o=-2.3!,f=-4.2!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= -0.0244 (180deg=-0.218) USER MOD Single : A 43 SER OG : rot 93:sc= 1.28 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -110:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 1.06 K(o=1.1,f=-0.92) USER MOD Single : A 53 TYR OH : rot 86:sc= 1.29 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 170:sc= 1 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -6.1! C(o=-6.1!,f=-9.5!) USER MOD Single : A 79 LYS NZ :NH3+ 150:sc= 1.25 (180deg=1.21) USER MOD Single : A 80 ASN : amide:sc= 1.17 K(o=1.2,f=-0.013) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 170:sc= -0.0167 (180deg=-0.134) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN :FLIP amide:sc= -0.0775 F(o=-0.6,f=-0.077) USER MOD ----------------------------------------------------------------- ATOM 209 N ASP A 15 -10.347 -1.453 3.696 1.00 0.00 N ATOM 210 CA ASP A 15 -10.492 -1.334 2.264 1.00 0.00 C ATOM 211 C ASP A 15 -9.766 -0.094 1.775 1.00 0.00 C ATOM 212 O ASP A 15 -9.390 0.012 0.635 1.00 0.00 O ATOM 213 CB ASP A 15 -11.979 -1.302 1.869 1.00 0.00 C ATOM 214 CG ASP A 15 -12.236 -0.994 0.392 1.00 0.00 C ATOM 215 OD1 ASP A 15 -11.570 -1.580 -0.506 1.00 0.00 O ATOM 216 OD2 ASP A 15 -13.168 -0.181 0.124 1.00 0.00 O ATOM 0 HA ASP A 15 -10.044 -2.206 1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.427 -2.266 2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.488 -0.554 2.477 1.00 0.00 H new ATOM 221 N SER A 16 -9.467 0.803 2.680 1.00 0.00 N ATOM 222 CA SER A 16 -8.903 2.073 2.275 1.00 0.00 C ATOM 223 C SER A 16 -7.375 2.124 2.411 1.00 0.00 C ATOM 224 O SER A 16 -6.762 3.174 2.205 1.00 0.00 O ATOM 225 CB SER A 16 -9.582 3.184 3.054 1.00 0.00 C ATOM 226 OG SER A 16 -10.990 3.101 2.862 1.00 0.00 O ATOM 0 H SER A 16 -9.600 0.686 3.684 1.00 0.00 H new ATOM 0 HA SER A 16 -9.094 2.208 1.210 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.342 3.099 4.114 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.215 4.155 2.721 1.00 0.00 H new ATOM 0 HG SER A 16 -11.432 3.816 3.365 1.00 0.00 H new ATOM 232 N VAL A 17 -6.763 0.995 2.724 1.00 0.00 N ATOM 233 CA VAL A 17 -5.311 0.908 2.881 1.00 0.00 C ATOM 234 C VAL A 17 -4.838 -0.465 2.409 1.00 0.00 C ATOM 235 O VAL A 17 -5.366 -1.479 2.854 1.00 0.00 O ATOM 236 CB VAL A 17 -4.856 1.090 4.385 1.00 0.00 C ATOM 237 CG1 VAL A 17 -3.362 0.917 4.526 1.00 0.00 C ATOM 238 CG2 VAL A 17 -5.264 2.447 4.954 1.00 0.00 C ATOM 0 H VAL A 17 -7.251 0.113 2.877 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.873 1.711 2.289 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.367 0.314 4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.078 1.047 5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.079 -0.082 4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.850 1.661 3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.929 2.523 5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.806 3.241 4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.349 2.546 4.916 1.00 0.00 H new ATOM 248 N ILE A 18 -3.902 -0.503 1.473 1.00 0.00 N ATOM 249 CA ILE A 18 -3.292 -1.770 1.104 1.00 0.00 C ATOM 250 C ILE A 18 -2.164 -2.003 2.050 1.00 0.00 C ATOM 251 O ILE A 18 -1.386 -1.086 2.336 1.00 0.00 O ATOM 252 CB ILE A 18 -2.634 -1.782 -0.300 1.00 0.00 C ATOM 253 CG1 ILE A 18 -3.547 -1.290 -1.390 1.00 0.00 C ATOM 254 CG2 ILE A 18 -2.100 -3.182 -0.653 1.00 0.00 C ATOM 255 CD1 ILE A 18 -4.725 -2.181 -1.646 1.00 0.00 C ATOM 0 H ILE A 18 -3.554 0.310 0.965 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.090 -2.512 1.122 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.801 -1.082 -0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.907 -0.295 -1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.974 -1.188 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.644 -3.159 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.354 -3.483 0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.923 -3.897 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.334 -1.758 -2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.376 -3.170 -1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.323 -2.263 -0.738 1.00 0.00 H new ATOM 267 N VAL A 19 -2.079 -3.184 2.504 1.00 0.00 N ATOM 268 CA VAL A 19 -1.008 -3.637 3.321 1.00 0.00 C ATOM 269 C VAL A 19 -0.505 -4.912 2.725 1.00 0.00 C ATOM 270 O VAL A 19 -1.157 -5.974 2.799 1.00 0.00 O ATOM 271 CB VAL A 19 -1.420 -3.888 4.772 1.00 0.00 C ATOM 272 CG1 VAL A 19 -0.270 -4.481 5.578 1.00 0.00 C ATOM 273 CG2 VAL A 19 -1.964 -2.639 5.426 1.00 0.00 C ATOM 0 H VAL A 19 -2.778 -3.902 2.315 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.244 -2.860 3.349 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.228 -4.620 4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.594 -4.648 6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.034 -5.429 5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.573 -3.790 5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.245 -2.860 6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.200 -1.862 5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.840 -2.293 4.877 1.00 0.00 H new ATOM 283 N VAL A 20 0.585 -4.791 2.077 1.00 0.00 N ATOM 284 CA VAL A 20 1.234 -5.906 1.458 1.00 0.00 C ATOM 285 C VAL A 20 2.318 -6.449 2.350 1.00 0.00 C ATOM 286 O VAL A 20 3.241 -5.737 2.738 1.00 0.00 O ATOM 287 CB VAL A 20 1.774 -5.596 0.038 1.00 0.00 C ATOM 288 CG1 VAL A 20 0.646 -5.620 -0.979 1.00 0.00 C ATOM 289 CG2 VAL A 20 2.432 -4.242 0.005 1.00 0.00 C ATOM 0 H VAL A 20 1.072 -3.903 1.951 1.00 0.00 H new ATOM 0 HA VAL A 20 0.471 -6.673 1.322 1.00 0.00 H new ATOM 0 HB VAL A 20 2.507 -6.362 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.044 -5.400 -1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.182 -6.607 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.099 -4.870 -0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.804 -4.043 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.706 -3.478 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.263 -4.224 0.710 1.00 0.00 H new ATOM 299 N ASP A 21 2.163 -7.689 2.691 1.00 0.00 N ATOM 300 CA ASP A 21 3.063 -8.402 3.567 1.00 0.00 C ATOM 301 C ASP A 21 4.287 -8.847 2.797 1.00 0.00 C ATOM 302 O ASP A 21 4.153 -9.293 1.663 1.00 0.00 O ATOM 303 CB ASP A 21 2.339 -9.621 4.118 1.00 0.00 C ATOM 304 CG ASP A 21 3.190 -10.460 5.023 1.00 0.00 C ATOM 305 OD1 ASP A 21 3.333 -10.112 6.202 1.00 0.00 O ATOM 306 OD2 ASP A 21 3.735 -11.477 4.569 1.00 0.00 O ATOM 0 H ASP A 21 1.384 -8.259 2.361 1.00 0.00 H new ATOM 0 HA ASP A 21 3.377 -7.750 4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.455 -9.293 4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.991 -10.234 3.287 1.00 0.00 H new ATOM 311 N ASN A 22 5.447 -8.741 3.447 1.00 0.00 N ATOM 312 CA ASN A 22 6.810 -9.050 2.919 1.00 0.00 C ATOM 313 C ASN A 22 7.079 -8.524 1.519 1.00 0.00 C ATOM 314 O ASN A 22 6.806 -9.159 0.490 1.00 0.00 O ATOM 315 CB ASN A 22 7.377 -10.495 3.189 1.00 0.00 C ATOM 316 CG ASN A 22 6.823 -11.650 2.353 1.00 0.00 C ATOM 317 OD1 ASN A 22 5.624 -11.576 1.953 1.00 0.00 O flip ATOM 318 ND2 ASN A 22 7.528 -12.627 2.083 1.00 0.00 N flip ATOM 0 H ASN A 22 5.481 -8.420 4.414 1.00 0.00 H new ATOM 0 HA ASN A 22 7.433 -8.445 3.578 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.457 -10.463 3.041 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.206 -10.730 4.239 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.492 -12.668 2.415 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.147 -13.393 1.528 1.00 0.00 H new ATOM 325 N VAL A 23 7.590 -7.333 1.514 1.00 0.00 N ATOM 326 CA VAL A 23 7.895 -6.589 0.322 1.00 0.00 C ATOM 327 C VAL A 23 9.407 -6.670 0.025 1.00 0.00 C ATOM 328 O VAL A 23 10.171 -7.161 0.875 1.00 0.00 O ATOM 329 CB VAL A 23 7.455 -5.105 0.506 1.00 0.00 C ATOM 330 CG1 VAL A 23 5.952 -5.012 0.681 1.00 0.00 C ATOM 331 CG2 VAL A 23 8.143 -4.507 1.713 1.00 0.00 C ATOM 0 H VAL A 23 7.817 -6.829 2.371 1.00 0.00 H new ATOM 0 HA VAL A 23 7.352 -7.016 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 23 7.740 -4.549 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.664 -3.968 0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.457 -5.420 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.652 -5.581 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.830 -3.470 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.873 -5.074 2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.223 -4.546 1.572 1.00 0.00 H new ATOM 341 N PRO A 24 9.850 -6.244 -1.199 1.00 0.00 N ATOM 342 CA PRO A 24 11.261 -6.225 -1.593 1.00 0.00 C ATOM 343 C PRO A 24 12.217 -5.719 -0.516 1.00 0.00 C ATOM 344 O PRO A 24 12.057 -4.627 0.054 1.00 0.00 O ATOM 345 CB PRO A 24 11.295 -5.294 -2.824 1.00 0.00 C ATOM 346 CG PRO A 24 9.872 -4.898 -3.092 1.00 0.00 C ATOM 347 CD PRO A 24 9.007 -5.842 -2.325 1.00 0.00 C ATOM 0 HA PRO A 24 11.608 -7.240 -1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.913 -4.417 -2.631 1.00 0.00 H new ATOM 0 HB3 PRO A 24 11.726 -5.804 -3.686 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.692 -3.869 -2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.651 -4.951 -4.158 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.089 -5.360 -1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.713 -6.699 -2.931 1.00 0.00 H new ATOM 355 N GLN A 25 13.199 -6.538 -0.268 1.00 0.00 N ATOM 356 CA GLN A 25 14.236 -6.276 0.666 1.00 0.00 C ATOM 357 C GLN A 25 15.384 -5.585 -0.071 1.00 0.00 C ATOM 358 O GLN A 25 15.582 -5.834 -1.267 1.00 0.00 O ATOM 359 CB GLN A 25 14.605 -7.601 1.399 1.00 0.00 C ATOM 360 CG GLN A 25 16.082 -7.992 1.487 1.00 0.00 C ATOM 361 CD GLN A 25 16.571 -8.869 0.321 1.00 0.00 C ATOM 362 OE1 GLN A 25 17.461 -9.704 0.498 1.00 0.00 O ATOM 363 NE2 GLN A 25 16.025 -8.693 -0.858 1.00 0.00 N ATOM 0 H GLN A 25 13.295 -7.440 -0.734 1.00 0.00 H new ATOM 0 HA GLN A 25 13.933 -5.589 1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.216 -7.539 2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.074 -8.414 0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 25 16.685 -7.085 1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.251 -8.524 2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 25 15.290 -7.996 -0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 25 16.335 -9.253 -1.652 1.00 0.00 H new ATOM 372 N VAL A 26 16.118 -4.733 0.599 1.00 0.00 N ATOM 373 CA VAL A 26 17.063 -3.887 -0.095 1.00 0.00 C ATOM 374 C VAL A 26 18.508 -4.374 0.013 1.00 0.00 C ATOM 375 O VAL A 26 18.905 -5.026 0.986 1.00 0.00 O ATOM 376 CB VAL A 26 16.960 -2.405 0.402 1.00 0.00 C ATOM 377 CG1 VAL A 26 17.577 -2.210 1.779 1.00 0.00 C ATOM 378 CG2 VAL A 26 17.532 -1.421 -0.598 1.00 0.00 C ATOM 0 H VAL A 26 16.083 -4.605 1.610 1.00 0.00 H new ATOM 0 HA VAL A 26 16.789 -3.938 -1.149 1.00 0.00 H new ATOM 0 HB VAL A 26 15.895 -2.194 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.479 -1.166 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.062 -2.843 2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.632 -2.481 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.437 -0.408 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.585 -1.647 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.987 -1.500 -1.538 1.00 0.00 H new ATOM 388 N GLY A 27 19.238 -4.113 -1.035 1.00 0.00 N ATOM 389 CA GLY A 27 20.669 -4.257 -1.043 1.00 0.00 C ATOM 390 C GLY A 27 21.235 -2.855 -0.981 1.00 0.00 C ATOM 391 O GLY A 27 20.452 -1.904 -1.113 1.00 0.00 O ATOM 0 H GLY A 27 18.851 -3.789 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 27 21.005 -4.850 -0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.003 -4.772 -1.943 1.00 0.00 H new ATOM 395 N PRO A 28 22.536 -2.647 -0.807 1.00 0.00 N ATOM 396 CA PRO A 28 23.064 -1.290 -0.663 1.00 0.00 C ATOM 397 C PRO A 28 22.770 -0.417 -1.893 1.00 0.00 C ATOM 398 O PRO A 28 23.078 -0.792 -3.033 1.00 0.00 O ATOM 399 CB PRO A 28 24.575 -1.491 -0.475 1.00 0.00 C ATOM 400 CG PRO A 28 24.852 -2.891 -0.918 1.00 0.00 C ATOM 401 CD PRO A 28 23.581 -3.674 -0.736 1.00 0.00 C ATOM 0 HA PRO A 28 22.600 -0.763 0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.143 -0.773 -1.067 1.00 0.00 H new ATOM 0 HB3 PRO A 28 24.863 -1.345 0.566 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.169 -2.909 -1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 28 25.660 -3.328 -0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 28 23.458 -4.427 -1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 28 23.565 -4.198 0.220 1.00 0.00 H new ATOM 409 N ASP A 29 22.145 0.733 -1.630 1.00 0.00 N ATOM 410 CA ASP A 29 21.771 1.740 -2.642 1.00 0.00 C ATOM 411 C ASP A 29 20.872 1.196 -3.749 1.00 0.00 C ATOM 412 O ASP A 29 20.889 1.686 -4.882 1.00 0.00 O ATOM 413 CB ASP A 29 22.999 2.457 -3.216 1.00 0.00 C ATOM 414 CG ASP A 29 23.540 3.501 -2.270 1.00 0.00 C ATOM 415 OD1 ASP A 29 23.031 4.643 -2.271 1.00 0.00 O ATOM 416 OD2 ASP A 29 24.484 3.209 -1.489 1.00 0.00 O ATOM 0 H ASP A 29 21.875 1.002 -0.684 1.00 0.00 H new ATOM 0 HA ASP A 29 21.171 2.477 -2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 29 23.778 1.725 -3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 29 22.734 2.928 -4.162 1.00 0.00 H new ATOM 421 N ARG A 30 20.039 0.219 -3.419 1.00 0.00 N ATOM 422 CA ARG A 30 19.146 -0.352 -4.416 1.00 0.00 C ATOM 423 C ARG A 30 17.680 0.024 -4.165 1.00 0.00 C ATOM 424 O ARG A 30 16.801 -0.367 -4.940 1.00 0.00 O ATOM 425 CB ARG A 30 19.292 -1.879 -4.479 1.00 0.00 C ATOM 426 CG ARG A 30 20.698 -2.356 -4.805 1.00 0.00 C ATOM 427 CD ARG A 30 20.757 -3.865 -4.916 1.00 0.00 C ATOM 428 NE ARG A 30 22.130 -4.359 -5.079 1.00 0.00 N ATOM 429 CZ ARG A 30 22.454 -5.621 -5.385 1.00 0.00 C ATOM 430 NH1 ARG A 30 21.508 -6.502 -5.698 1.00 0.00 N ATOM 431 NH2 ARG A 30 23.726 -5.990 -5.406 1.00 0.00 N ATOM 0 H ARG A 30 19.963 -0.188 -2.487 1.00 0.00 H new ATOM 0 HA ARG A 30 19.439 0.073 -5.376 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.990 -2.302 -3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.605 -2.268 -5.230 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.028 -1.907 -5.742 1.00 0.00 H new ATOM 0 HG3 ARG A 30 21.387 -2.019 -4.030 1.00 0.00 H new ATOM 0 HD2 ARG A 30 20.317 -4.310 -4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.154 -4.188 -5.764 1.00 0.00 H new ATOM 0 HE ARG A 30 22.891 -3.693 -4.950 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.529 -6.217 -5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 30 21.762 -7.462 -5.930 1.00 0.00 H new ATOM 0 HH21 ARG A 30 24.457 -5.313 -5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 30 23.974 -6.951 -5.639 1.00 0.00 H new ATOM 445 N LEU A 31 17.420 0.817 -3.114 1.00 0.00 N ATOM 446 CA LEU A 31 16.038 1.180 -2.718 1.00 0.00 C ATOM 447 C LEU A 31 15.352 1.966 -3.846 1.00 0.00 C ATOM 448 O LEU A 31 14.145 1.823 -4.069 1.00 0.00 O ATOM 449 CB LEU A 31 16.062 1.966 -1.379 1.00 0.00 C ATOM 450 CG LEU A 31 14.771 1.991 -0.507 1.00 0.00 C ATOM 451 CD1 LEU A 31 13.655 2.823 -1.105 1.00 0.00 C ATOM 452 CD2 LEU A 31 14.277 0.584 -0.238 1.00 0.00 C ATOM 0 H LEU A 31 18.143 1.222 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 31 15.452 0.276 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.866 1.556 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.329 2.998 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 31 15.054 2.469 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.787 2.796 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.991 3.853 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.382 2.419 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.375 0.626 0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.053 0.090 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 31 15.047 0.023 0.291 1.00 0.00 H new ATOM 464 N GLU A 32 16.158 2.735 -4.579 1.00 0.00 N ATOM 465 CA GLU A 32 15.749 3.488 -5.776 1.00 0.00 C ATOM 466 C GLU A 32 14.892 2.629 -6.703 1.00 0.00 C ATOM 467 O GLU A 32 13.800 3.008 -7.122 1.00 0.00 O ATOM 468 CB GLU A 32 17.021 3.862 -6.551 1.00 0.00 C ATOM 469 CG GLU A 32 16.777 4.382 -7.956 1.00 0.00 C ATOM 470 CD GLU A 32 18.028 4.398 -8.785 1.00 0.00 C ATOM 471 OE1 GLU A 32 18.357 3.356 -9.427 1.00 0.00 O ATOM 472 OE2 GLU A 32 18.699 5.442 -8.846 1.00 0.00 O ATOM 0 H GLU A 32 17.145 2.858 -4.353 1.00 0.00 H new ATOM 0 HA GLU A 32 15.176 4.361 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 32 17.564 4.620 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.666 2.985 -6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.028 3.760 -8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.368 5.391 -7.901 1.00 0.00 H new ATOM 479 N LYS A 33 15.391 1.458 -6.966 1.00 0.00 N ATOM 480 CA LYS A 33 14.819 0.575 -7.945 1.00 0.00 C ATOM 481 C LYS A 33 13.624 -0.115 -7.360 1.00 0.00 C ATOM 482 O LYS A 33 12.637 -0.396 -8.054 1.00 0.00 O ATOM 483 CB LYS A 33 15.862 -0.453 -8.319 1.00 0.00 C ATOM 484 CG LYS A 33 17.219 0.161 -8.543 1.00 0.00 C ATOM 485 CD LYS A 33 18.253 -0.878 -8.826 1.00 0.00 C ATOM 486 CE LYS A 33 19.652 -0.265 -8.788 1.00 0.00 C ATOM 487 NZ LYS A 33 19.787 0.931 -9.665 1.00 0.00 N ATOM 0 H LYS A 33 16.218 1.082 -6.502 1.00 0.00 H new ATOM 0 HA LYS A 33 14.508 1.137 -8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.931 -1.201 -7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 33 15.548 -0.973 -9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.169 0.862 -9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.510 0.734 -7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.181 -1.680 -8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.071 -1.324 -9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.893 0.014 -7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.380 -1.016 -9.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.779 1.242 -9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.488 0.689 -10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.188 1.699 -9.300 1.00 0.00 H new ATOM 501 N LEU A 34 13.695 -0.340 -6.069 1.00 0.00 N ATOM 502 CA LEU A 34 12.675 -1.055 -5.374 1.00 0.00 C ATOM 503 C LEU A 34 11.409 -0.219 -5.242 1.00 0.00 C ATOM 504 O LEU A 34 10.311 -0.736 -5.316 1.00 0.00 O ATOM 505 CB LEU A 34 13.161 -1.528 -4.012 1.00 0.00 C ATOM 506 CG LEU A 34 14.360 -2.473 -4.024 1.00 0.00 C ATOM 507 CD1 LEU A 34 14.704 -2.889 -2.622 1.00 0.00 C ATOM 508 CD2 LEU A 34 14.098 -3.698 -4.894 1.00 0.00 C ATOM 0 H LEU A 34 14.466 -0.028 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 34 12.432 -1.938 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.418 -0.653 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.335 -2.027 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 34 15.206 -1.937 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.560 -3.563 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.950 -2.007 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 34 13.851 -3.399 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.972 -4.349 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.235 -4.241 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.899 -3.381 -5.918 1.00 0.00 H new ATOM 520 N LYS A 35 11.557 1.081 -5.071 1.00 0.00 N ATOM 521 CA LYS A 35 10.382 1.934 -4.999 1.00 0.00 C ATOM 522 C LYS A 35 9.815 2.201 -6.381 1.00 0.00 C ATOM 523 O LYS A 35 8.628 2.513 -6.538 1.00 0.00 O ATOM 524 CB LYS A 35 10.643 3.257 -4.274 1.00 0.00 C ATOM 525 CG LYS A 35 11.743 4.142 -4.854 1.00 0.00 C ATOM 526 CD LYS A 35 11.669 5.562 -4.280 1.00 0.00 C ATOM 527 CE LYS A 35 11.775 5.587 -2.760 1.00 0.00 C ATOM 528 NZ LYS A 35 11.548 6.937 -2.215 1.00 0.00 N ATOM 0 H LYS A 35 12.452 1.561 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 35 9.649 1.384 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.715 3.829 -4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.894 3.035 -3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.718 3.707 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.649 4.180 -5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.471 6.164 -4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.729 6.023 -4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.047 4.897 -2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.762 5.235 -2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.629 6.911 -1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.258 7.591 -2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.597 7.263 -2.480 1.00 0.00 H new ATOM 542 N ASN A 36 10.636 2.024 -7.380 1.00 0.00 N ATOM 543 CA ASN A 36 10.230 2.314 -8.736 1.00 0.00 C ATOM 544 C ASN A 36 9.372 1.171 -9.219 1.00 0.00 C ATOM 545 O ASN A 36 8.348 1.375 -9.863 1.00 0.00 O ATOM 546 CB ASN A 36 11.456 2.514 -9.650 1.00 0.00 C ATOM 547 CG ASN A 36 11.121 3.078 -11.038 1.00 0.00 C ATOM 548 OD1 ASN A 36 10.046 2.878 -11.581 1.00 0.00 O ATOM 549 ND2 ASN A 36 12.042 3.799 -11.608 1.00 0.00 N ATOM 0 H ASN A 36 11.592 1.680 -7.285 1.00 0.00 H new ATOM 0 HA ASN A 36 9.661 3.243 -8.765 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.157 3.187 -9.156 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.964 1.557 -9.772 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.873 4.210 -12.526 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.933 3.954 -11.137 1.00 0.00 H new ATOM 556 N VAL A 37 9.744 -0.041 -8.823 1.00 0.00 N ATOM 557 CA VAL A 37 8.992 -1.208 -9.210 1.00 0.00 C ATOM 558 C VAL A 37 7.590 -1.185 -8.563 1.00 0.00 C ATOM 559 O VAL A 37 6.614 -1.642 -9.166 1.00 0.00 O ATOM 560 CB VAL A 37 9.759 -2.543 -8.930 1.00 0.00 C ATOM 561 CG1 VAL A 37 9.923 -2.840 -7.456 1.00 0.00 C ATOM 562 CG2 VAL A 37 9.103 -3.693 -9.633 1.00 0.00 C ATOM 0 H VAL A 37 10.558 -0.231 -8.238 1.00 0.00 H new ATOM 0 HA VAL A 37 8.862 -1.172 -10.292 1.00 0.00 H new ATOM 0 HB VAL A 37 10.764 -2.408 -9.331 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.463 -3.779 -7.332 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.483 -2.034 -6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.941 -2.922 -6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.654 -4.610 -9.423 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.077 -3.798 -9.280 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.100 -3.509 -10.707 1.00 0.00 H new ATOM 572 N ILE A 38 7.496 -0.586 -7.363 1.00 0.00 N ATOM 573 CA ILE A 38 6.212 -0.397 -6.681 1.00 0.00 C ATOM 574 C ILE A 38 5.323 0.488 -7.549 1.00 0.00 C ATOM 575 O ILE A 38 4.185 0.142 -7.872 1.00 0.00 O ATOM 576 CB ILE A 38 6.374 0.312 -5.293 1.00 0.00 C ATOM 577 CG1 ILE A 38 7.331 -0.443 -4.353 1.00 0.00 C ATOM 578 CG2 ILE A 38 5.024 0.544 -4.613 1.00 0.00 C ATOM 579 CD1 ILE A 38 7.024 -1.920 -4.184 1.00 0.00 C ATOM 0 H ILE A 38 8.299 -0.225 -6.848 1.00 0.00 H new ATOM 0 HA ILE A 38 5.779 -1.384 -6.519 1.00 0.00 H new ATOM 0 HB ILE A 38 6.822 1.284 -5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.348 -0.339 -4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.306 0.033 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.180 1.038 -3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.400 1.173 -5.248 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.528 -0.413 -4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.750 -2.367 -3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.022 -2.039 -3.773 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.079 -2.416 -5.153 1.00 0.00 H new ATOM 591 N HIS A 39 5.895 1.599 -7.972 1.00 0.00 N ATOM 592 CA HIS A 39 5.218 2.598 -8.779 1.00 0.00 C ATOM 593 C HIS A 39 4.794 2.021 -10.149 1.00 0.00 C ATOM 594 O HIS A 39 3.941 2.574 -10.814 1.00 0.00 O ATOM 595 CB HIS A 39 6.129 3.834 -8.946 1.00 0.00 C ATOM 596 CG HIS A 39 5.462 5.044 -9.551 1.00 0.00 C ATOM 597 ND1 HIS A 39 5.787 5.575 -10.781 1.00 0.00 N ATOM 598 CD2 HIS A 39 4.495 5.849 -9.045 1.00 0.00 C ATOM 599 CE1 HIS A 39 5.034 6.656 -10.984 1.00 0.00 C ATOM 600 NE2 HIS A 39 4.224 6.869 -9.956 1.00 0.00 N ATOM 0 H HIS A 39 6.864 1.838 -7.760 1.00 0.00 H new ATOM 0 HA HIS A 39 4.305 2.903 -8.267 1.00 0.00 H new ATOM 0 HB2 HIS A 39 6.526 4.108 -7.969 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.979 3.558 -9.569 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.011 5.720 -8.088 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.078 7.276 -11.868 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.544 7.622 -9.853 1.00 0.00 H new ATOM 608 N LYS A 40 5.401 0.940 -10.572 1.00 0.00 N ATOM 609 CA LYS A 40 5.003 0.290 -11.798 1.00 0.00 C ATOM 610 C LYS A 40 3.896 -0.728 -11.551 1.00 0.00 C ATOM 611 O LYS A 40 2.782 -0.589 -12.066 1.00 0.00 O ATOM 612 CB LYS A 40 6.192 -0.398 -12.420 1.00 0.00 C ATOM 613 CG LYS A 40 7.316 0.542 -12.723 1.00 0.00 C ATOM 614 CD LYS A 40 8.474 -0.190 -13.331 1.00 0.00 C ATOM 615 CE LYS A 40 9.593 0.747 -13.749 1.00 0.00 C ATOM 616 NZ LYS A 40 9.174 1.731 -14.781 1.00 0.00 N ATOM 0 H LYS A 40 6.175 0.490 -10.084 1.00 0.00 H new ATOM 0 HA LYS A 40 4.621 1.053 -12.476 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.548 -1.177 -11.746 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.879 -0.891 -13.340 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.972 1.319 -13.406 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.635 1.041 -11.808 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.859 -0.915 -12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.130 -0.752 -14.199 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.958 1.282 -12.872 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.427 0.159 -14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.015 2.191 -15.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.652 1.242 -15.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.561 2.450 -14.346 1.00 0.00 H new ATOM 630 N ILE A 41 4.194 -1.710 -10.721 1.00 0.00 N ATOM 631 CA ILE A 41 3.299 -2.838 -10.460 1.00 0.00 C ATOM 632 C ILE A 41 1.987 -2.391 -9.812 1.00 0.00 C ATOM 633 O ILE A 41 0.903 -2.784 -10.236 1.00 0.00 O ATOM 634 CB ILE A 41 4.004 -3.905 -9.554 1.00 0.00 C ATOM 635 CG1 ILE A 41 5.270 -4.472 -10.240 1.00 0.00 C ATOM 636 CG2 ILE A 41 3.054 -5.034 -9.151 1.00 0.00 C ATOM 637 CD1 ILE A 41 5.018 -5.159 -11.576 1.00 0.00 C ATOM 0 H ILE A 41 5.070 -1.754 -10.201 1.00 0.00 H new ATOM 0 HA ILE A 41 3.060 -3.286 -11.425 1.00 0.00 H new ATOM 0 HB ILE A 41 4.309 -3.394 -8.641 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.979 -3.658 -10.394 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.744 -5.184 -9.565 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.585 -5.750 -8.524 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.212 -4.620 -8.596 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.687 -5.537 -10.045 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.962 -5.524 -11.981 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.337 -5.998 -11.431 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.575 -4.448 -12.273 1.00 0.00 H new ATOM 649 N PHE A 42 2.082 -1.514 -8.854 1.00 0.00 N ATOM 650 CA PHE A 42 0.917 -1.134 -8.081 1.00 0.00 C ATOM 651 C PHE A 42 0.019 -0.152 -8.811 1.00 0.00 C ATOM 652 O PHE A 42 -1.137 0.031 -8.446 1.00 0.00 O ATOM 653 CB PHE A 42 1.314 -0.620 -6.708 1.00 0.00 C ATOM 654 CG PHE A 42 1.837 -1.678 -5.779 1.00 0.00 C ATOM 655 CD1 PHE A 42 3.109 -2.204 -5.923 1.00 0.00 C ATOM 656 CD2 PHE A 42 1.054 -2.125 -4.750 1.00 0.00 C ATOM 657 CE1 PHE A 42 3.579 -3.159 -5.049 1.00 0.00 C ATOM 658 CE2 PHE A 42 1.512 -3.070 -3.872 1.00 0.00 C ATOM 659 CZ PHE A 42 2.778 -3.595 -4.017 1.00 0.00 C ATOM 0 H PHE A 42 2.947 -1.046 -8.584 1.00 0.00 H new ATOM 0 HA PHE A 42 0.324 -2.038 -7.943 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.076 0.151 -6.828 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.449 -0.144 -6.247 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.740 -1.862 -6.730 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.058 -1.726 -4.628 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.572 -3.565 -5.172 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.879 -3.405 -3.063 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.139 -4.343 -3.326 1.00 0.00 H new ATOM 669 N SER A 43 0.521 0.450 -9.866 1.00 0.00 N ATOM 670 CA SER A 43 -0.268 1.368 -10.649 1.00 0.00 C ATOM 671 C SER A 43 -1.270 0.624 -11.536 1.00 0.00 C ATOM 672 O SER A 43 -2.087 1.234 -12.220 1.00 0.00 O ATOM 673 CB SER A 43 0.633 2.268 -11.462 1.00 0.00 C ATOM 674 OG SER A 43 1.427 3.074 -10.603 1.00 0.00 O ATOM 0 H SER A 43 1.476 0.318 -10.200 1.00 0.00 H new ATOM 0 HA SER A 43 -0.847 1.992 -9.969 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.276 1.666 -12.105 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.033 2.902 -12.115 1.00 0.00 H new ATOM 0 HG SER A 43 2.283 2.628 -10.435 1.00 0.00 H new ATOM 680 N LYS A 44 -1.215 -0.694 -11.497 1.00 0.00 N ATOM 681 CA LYS A 44 -2.150 -1.518 -12.224 1.00 0.00 C ATOM 682 C LYS A 44 -3.468 -1.599 -11.465 1.00 0.00 C ATOM 683 O LYS A 44 -4.509 -1.898 -12.040 1.00 0.00 O ATOM 684 CB LYS A 44 -1.572 -2.907 -12.444 1.00 0.00 C ATOM 685 CG LYS A 44 -0.305 -2.912 -13.292 1.00 0.00 C ATOM 686 CD LYS A 44 0.288 -4.305 -13.420 1.00 0.00 C ATOM 687 CE LYS A 44 -0.701 -5.281 -14.032 1.00 0.00 C ATOM 688 NZ LYS A 44 -0.124 -6.626 -14.187 1.00 0.00 N ATOM 0 H LYS A 44 -0.522 -1.218 -10.962 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.335 -1.068 -13.199 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.354 -3.358 -11.476 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.324 -3.533 -12.925 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.531 -2.522 -14.284 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.432 -2.244 -12.847 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.187 -4.263 -14.036 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.592 -4.663 -12.436 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.590 -5.338 -13.404 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.022 -4.910 -15.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.832 -7.261 -14.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.709 -6.577 -14.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.159 -6.992 -13.255 1.00 0.00 H new ATOM 702 N PHE A 45 -3.413 -1.320 -10.172 1.00 0.00 N ATOM 703 CA PHE A 45 -4.613 -1.306 -9.345 1.00 0.00 C ATOM 704 C PHE A 45 -5.263 0.072 -9.365 1.00 0.00 C ATOM 705 O PHE A 45 -6.426 0.236 -8.963 1.00 0.00 O ATOM 706 CB PHE A 45 -4.308 -1.721 -7.899 1.00 0.00 C ATOM 707 CG PHE A 45 -3.811 -3.133 -7.752 1.00 0.00 C ATOM 708 CD1 PHE A 45 -4.706 -4.189 -7.635 1.00 0.00 C ATOM 709 CD2 PHE A 45 -2.452 -3.404 -7.724 1.00 0.00 C ATOM 710 CE1 PHE A 45 -4.250 -5.488 -7.498 1.00 0.00 C ATOM 711 CE2 PHE A 45 -1.991 -4.698 -7.586 1.00 0.00 C ATOM 712 CZ PHE A 45 -2.892 -5.742 -7.471 1.00 0.00 C ATOM 0 H PHE A 45 -2.552 -1.100 -9.671 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.307 -2.034 -9.766 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.562 -1.041 -7.488 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.212 -1.602 -7.301 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.768 -3.994 -7.651 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.745 -2.593 -7.811 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.954 -6.302 -7.412 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.929 -4.895 -7.568 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.534 -6.755 -7.360 1.00 0.00 H new ATOM 722 N GLY A 46 -4.529 1.061 -9.826 1.00 0.00 N ATOM 723 CA GLY A 46 -5.074 2.381 -9.907 1.00 0.00 C ATOM 724 C GLY A 46 -4.038 3.450 -9.717 1.00 0.00 C ATOM 725 O GLY A 46 -2.850 3.230 -9.980 1.00 0.00 O ATOM 0 H GLY A 46 -3.565 0.970 -10.145 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.552 2.513 -10.878 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.851 2.496 -9.151 1.00 0.00 H new ATOM 729 N LYS A 47 -4.475 4.598 -9.260 1.00 0.00 N ATOM 730 CA LYS A 47 -3.600 5.717 -9.032 1.00 0.00 C ATOM 731 C LYS A 47 -2.970 5.630 -7.655 1.00 0.00 C ATOM 732 O LYS A 47 -3.683 5.658 -6.641 1.00 0.00 O ATOM 733 CB LYS A 47 -4.367 7.043 -9.142 1.00 0.00 C ATOM 734 CG LYS A 47 -3.501 8.258 -8.821 1.00 0.00 C ATOM 735 CD LYS A 47 -4.301 9.542 -8.680 1.00 0.00 C ATOM 736 CE LYS A 47 -4.917 10.005 -9.987 1.00 0.00 C ATOM 737 NZ LYS A 47 -5.638 11.283 -9.815 1.00 0.00 N ATOM 0 H LYS A 47 -5.453 4.781 -9.035 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.821 5.685 -9.794 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.766 7.144 -10.151 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.220 7.021 -8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.956 8.073 -7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.758 8.385 -9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.092 9.392 -7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.652 10.327 -8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.136 10.123 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.604 9.244 -10.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.049 11.575 -10.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.398 11.162 -9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.976 12.013 -9.484 1.00 0.00 H new ATOM 751 N ILE A 48 -1.656 5.582 -7.610 1.00 0.00 N ATOM 752 CA ILE A 48 -0.934 5.573 -6.367 1.00 0.00 C ATOM 753 C ILE A 48 -1.024 6.996 -5.819 1.00 0.00 C ATOM 754 O ILE A 48 -0.240 7.882 -6.187 1.00 0.00 O ATOM 755 CB ILE A 48 0.568 5.236 -6.591 1.00 0.00 C ATOM 756 CG1 ILE A 48 0.756 3.964 -7.437 1.00 0.00 C ATOM 757 CG2 ILE A 48 1.291 5.086 -5.257 1.00 0.00 C ATOM 758 CD1 ILE A 48 0.305 2.695 -6.770 1.00 0.00 C ATOM 0 H ILE A 48 -1.062 5.548 -8.439 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.353 4.826 -5.693 1.00 0.00 H new ATOM 0 HB ILE A 48 1.002 6.069 -7.143 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.208 4.082 -8.372 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.811 3.868 -7.695 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.340 4.850 -5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.219 6.019 -4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.832 4.282 -4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.475 1.852 -7.439 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.869 2.547 -5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.758 2.764 -6.537 1.00 0.00 H new ATOM 770 N THR A 49 -2.029 7.219 -5.023 1.00 0.00 N ATOM 771 CA THR A 49 -2.327 8.513 -4.522 1.00 0.00 C ATOM 772 C THR A 49 -1.380 8.841 -3.386 1.00 0.00 C ATOM 773 O THR A 49 -0.694 9.862 -3.412 1.00 0.00 O ATOM 774 CB THR A 49 -3.796 8.549 -4.082 1.00 0.00 C ATOM 775 OG1 THR A 49 -4.600 8.083 -5.185 1.00 0.00 O ATOM 776 CG2 THR A 49 -4.232 9.956 -3.708 1.00 0.00 C ATOM 0 H THR A 49 -2.669 6.491 -4.704 1.00 0.00 H new ATOM 0 HA THR A 49 -2.189 9.271 -5.293 1.00 0.00 H new ATOM 0 HB THR A 49 -3.920 7.917 -3.203 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.113 8.832 -5.555 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.278 9.943 -3.401 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.617 10.321 -2.885 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.114 10.614 -4.569 1.00 0.00 H new ATOM 784 N ASN A 50 -1.311 7.961 -2.435 1.00 0.00 N ATOM 785 CA ASN A 50 -0.395 8.087 -1.336 1.00 0.00 C ATOM 786 C ASN A 50 0.230 6.751 -1.103 1.00 0.00 C ATOM 787 O ASN A 50 -0.442 5.717 -1.218 1.00 0.00 O ATOM 788 CB ASN A 50 -1.082 8.605 -0.058 1.00 0.00 C ATOM 789 CG ASN A 50 -1.431 10.085 -0.104 1.00 0.00 C ATOM 790 OD1 ASN A 50 -0.717 10.907 -0.686 1.00 0.00 O ATOM 791 ND2 ASN A 50 -2.539 10.436 0.472 1.00 0.00 N ATOM 0 H ASN A 50 -1.894 7.125 -2.397 1.00 0.00 H new ATOM 0 HA ASN A 50 0.366 8.826 -1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.993 8.032 0.111 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.428 8.422 0.794 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.838 11.411 0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.111 9.737 0.946 1.00 0.00 H new ATOM 798 N ASP A 51 1.492 6.752 -0.831 1.00 0.00 N ATOM 799 CA ASP A 51 2.242 5.540 -0.623 1.00 0.00 C ATOM 800 C ASP A 51 3.282 5.766 0.424 1.00 0.00 C ATOM 801 O ASP A 51 4.055 6.736 0.373 1.00 0.00 O ATOM 802 CB ASP A 51 2.845 4.977 -1.932 1.00 0.00 C ATOM 803 CG ASP A 51 3.749 5.938 -2.695 1.00 0.00 C ATOM 804 OD1 ASP A 51 3.253 6.953 -3.240 1.00 0.00 O ATOM 805 OD2 ASP A 51 4.961 5.670 -2.801 1.00 0.00 O ATOM 0 H ASP A 51 2.048 7.603 -0.744 1.00 0.00 H new ATOM 0 HA ASP A 51 1.552 4.773 -0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.415 4.079 -1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.029 4.673 -2.588 1.00 0.00 H new ATOM 810 N PHE A 52 3.294 4.900 1.382 1.00 0.00 N ATOM 811 CA PHE A 52 4.141 5.053 2.533 1.00 0.00 C ATOM 812 C PHE A 52 4.939 3.793 2.733 1.00 0.00 C ATOM 813 O PHE A 52 4.365 2.708 2.933 1.00 0.00 O ATOM 814 CB PHE A 52 3.297 5.325 3.796 1.00 0.00 C ATOM 815 CG PHE A 52 2.287 6.440 3.657 1.00 0.00 C ATOM 816 CD1 PHE A 52 2.675 7.766 3.721 1.00 0.00 C ATOM 817 CD2 PHE A 52 0.943 6.150 3.465 1.00 0.00 C ATOM 818 CE1 PHE A 52 1.743 8.780 3.596 1.00 0.00 C ATOM 819 CE2 PHE A 52 0.010 7.158 3.340 1.00 0.00 C ATOM 820 CZ PHE A 52 0.411 8.475 3.404 1.00 0.00 C ATOM 0 H PHE A 52 2.716 4.060 1.395 1.00 0.00 H new ATOM 0 HA PHE A 52 4.809 5.899 2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.771 4.410 4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.969 5.564 4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.716 8.012 3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.623 5.120 3.413 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.058 9.812 3.649 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.032 6.916 3.192 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.316 9.267 3.304 1.00 0.00 H new ATOM 830 N TYR A 53 6.233 3.897 2.610 1.00 0.00 N ATOM 831 CA TYR A 53 7.084 2.764 2.861 1.00 0.00 C ATOM 832 C TYR A 53 7.811 3.019 4.176 1.00 0.00 C ATOM 833 O TYR A 53 8.716 3.858 4.222 1.00 0.00 O ATOM 834 CB TYR A 53 8.145 2.561 1.747 1.00 0.00 C ATOM 835 CG TYR A 53 7.680 2.798 0.317 1.00 0.00 C ATOM 836 CD1 TYR A 53 6.414 2.430 -0.117 1.00 0.00 C ATOM 837 CD2 TYR A 53 8.515 3.424 -0.588 1.00 0.00 C ATOM 838 CE1 TYR A 53 6.004 2.677 -1.406 1.00 0.00 C ATOM 839 CE2 TYR A 53 8.110 3.678 -1.871 1.00 0.00 C ATOM 840 CZ TYR A 53 6.861 3.301 -2.277 1.00 0.00 C ATOM 841 OH TYR A 53 6.450 3.583 -3.549 1.00 0.00 O ATOM 0 H TYR A 53 6.721 4.750 2.339 1.00 0.00 H new ATOM 0 HA TYR A 53 6.465 1.868 2.893 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.983 3.228 1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.524 1.542 1.818 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.739 1.941 0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 53 9.507 3.719 -0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.017 2.383 -1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.776 4.175 -2.560 1.00 0.00 H new ATOM 0 HH TYR A 53 5.987 4.447 -3.559 1.00 0.00 H new ATOM 851 N PRO A 54 7.424 2.356 5.255 1.00 0.00 N ATOM 852 CA PRO A 54 8.092 2.504 6.542 1.00 0.00 C ATOM 853 C PRO A 54 9.288 1.567 6.639 1.00 0.00 C ATOM 854 O PRO A 54 9.524 0.783 5.732 1.00 0.00 O ATOM 855 CB PRO A 54 7.019 2.078 7.531 1.00 0.00 C ATOM 856 CG PRO A 54 6.241 1.034 6.801 1.00 0.00 C ATOM 857 CD PRO A 54 6.285 1.413 5.337 1.00 0.00 C ATOM 0 HA PRO A 54 8.474 3.511 6.712 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.457 1.681 8.447 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.386 2.918 7.818 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.673 0.046 6.959 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.213 0.993 7.161 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.440 0.541 4.702 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.354 1.880 5.016 1.00 0.00 H new ATOM 865 N GLU A 55 10.045 1.677 7.694 1.00 0.00 N ATOM 866 CA GLU A 55 11.138 0.752 7.945 1.00 0.00 C ATOM 867 C GLU A 55 10.634 -0.220 9.003 1.00 0.00 C ATOM 868 O GLU A 55 9.503 -0.057 9.481 1.00 0.00 O ATOM 869 CB GLU A 55 12.380 1.486 8.474 1.00 0.00 C ATOM 870 CG GLU A 55 12.193 2.032 9.871 1.00 0.00 C ATOM 871 CD GLU A 55 13.401 2.721 10.414 1.00 0.00 C ATOM 872 OE1 GLU A 55 13.768 3.804 9.915 1.00 0.00 O ATOM 873 OE2 GLU A 55 13.998 2.208 11.375 1.00 0.00 O ATOM 0 H GLU A 55 9.932 2.400 8.404 1.00 0.00 H new ATOM 0 HA GLU A 55 11.430 0.247 7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.229 0.803 8.468 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.626 2.306 7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.357 2.732 9.869 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.922 1.214 10.538 1.00 0.00 H new ATOM 936 N THR A 60 14.760 -2.422 5.848 1.00 0.00 N ATOM 937 CA THR A 60 14.208 -1.540 4.860 1.00 0.00 C ATOM 938 C THR A 60 12.731 -1.318 5.074 1.00 0.00 C ATOM 939 O THR A 60 12.275 -0.178 5.171 1.00 0.00 O ATOM 940 CB THR A 60 14.519 -2.031 3.404 1.00 0.00 C ATOM 941 OG1 THR A 60 13.840 -1.244 2.430 1.00 0.00 O ATOM 942 CG2 THR A 60 14.181 -3.508 3.190 1.00 0.00 C ATOM 0 HA THR A 60 14.698 -0.574 4.982 1.00 0.00 H new ATOM 0 HB THR A 60 15.595 -1.911 3.278 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.056 -1.575 1.533 1.00 0.00 H new ATOM 0 HG21 THR A 60 14.417 -3.790 2.164 1.00 0.00 H new ATOM 0 HG22 THR A 60 14.766 -4.118 3.878 1.00 0.00 H new ATOM 0 HG23 THR A 60 13.119 -3.669 3.375 1.00 0.00 H new ATOM 950 N LYS A 61 12.007 -2.401 5.135 1.00 0.00 N ATOM 951 CA LYS A 61 10.594 -2.429 5.337 1.00 0.00 C ATOM 952 C LYS A 61 10.147 -3.862 5.341 1.00 0.00 C ATOM 953 O LYS A 61 10.926 -4.754 4.988 1.00 0.00 O ATOM 954 CB LYS A 61 9.913 -1.675 4.211 1.00 0.00 C ATOM 955 CG LYS A 61 10.334 -2.127 2.842 1.00 0.00 C ATOM 956 CD LYS A 61 9.924 -1.122 1.783 1.00 0.00 C ATOM 957 CE LYS A 61 10.966 0.007 1.571 1.00 0.00 C ATOM 958 NZ LYS A 61 11.238 0.859 2.770 1.00 0.00 N ATOM 0 H LYS A 61 12.412 -3.332 5.040 1.00 0.00 H new ATOM 0 HA LYS A 61 10.333 -1.958 6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.834 -1.793 4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.128 -0.612 4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.415 -2.264 2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.885 -3.095 2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.767 -1.644 0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.969 -0.677 2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.904 -0.443 1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.622 0.649 0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.907 1.614 2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.349 1.283 3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.648 0.274 3.526 1.00 0.00 H new ATOM 972 N GLY A 62 8.937 -4.083 5.752 1.00 0.00 N ATOM 973 CA GLY A 62 8.383 -5.418 5.748 1.00 0.00 C ATOM 974 C GLY A 62 6.993 -5.421 5.172 1.00 0.00 C ATOM 975 O GLY A 62 6.415 -6.461 4.936 1.00 0.00 O ATOM 0 H GLY A 62 8.306 -3.360 6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.024 -6.080 5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.360 -5.810 6.765 1.00 0.00 H new ATOM 979 N TYR A 63 6.492 -4.235 4.907 1.00 0.00 N ATOM 980 CA TYR A 63 5.164 -4.019 4.420 1.00 0.00 C ATOM 981 C TYR A 63 5.116 -2.584 3.969 1.00 0.00 C ATOM 982 O TYR A 63 5.955 -1.782 4.416 1.00 0.00 O ATOM 983 CB TYR A 63 4.125 -4.265 5.547 1.00 0.00 C ATOM 984 CG TYR A 63 4.230 -3.316 6.741 1.00 0.00 C ATOM 985 CD1 TYR A 63 5.255 -3.437 7.679 1.00 0.00 C ATOM 986 CD2 TYR A 63 3.304 -2.302 6.919 1.00 0.00 C ATOM 987 CE1 TYR A 63 5.343 -2.574 8.754 1.00 0.00 C ATOM 988 CE2 TYR A 63 3.390 -1.442 7.991 1.00 0.00 C ATOM 989 CZ TYR A 63 4.404 -1.578 8.904 1.00 0.00 C ATOM 990 OH TYR A 63 4.475 -0.711 9.973 1.00 0.00 O ATOM 0 H TYR A 63 7.021 -3.372 5.031 1.00 0.00 H new ATOM 0 HA TYR A 63 4.923 -4.703 3.606 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.124 -4.182 5.123 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.235 -5.289 5.905 1.00 0.00 H new ATOM 0 HD1 TYR A 63 5.992 -4.218 7.563 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.502 -2.184 6.206 1.00 0.00 H new ATOM 0 HE1 TYR A 63 6.143 -2.680 9.472 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.657 -0.658 8.113 1.00 0.00 H new ATOM 0 HH TYR A 63 3.735 -0.070 9.924 1.00 0.00 H new ATOM 1000 N ILE A 64 4.213 -2.254 3.080 1.00 0.00 N ATOM 1001 CA ILE A 64 4.068 -0.881 2.626 1.00 0.00 C ATOM 1002 C ILE A 64 2.592 -0.543 2.547 1.00 0.00 C ATOM 1003 O ILE A 64 1.745 -1.451 2.545 1.00 0.00 O ATOM 1004 CB ILE A 64 4.746 -0.593 1.240 1.00 0.00 C ATOM 1005 CG1 ILE A 64 4.029 -1.308 0.104 1.00 0.00 C ATOM 1006 CG2 ILE A 64 6.216 -0.987 1.251 1.00 0.00 C ATOM 1007 CD1 ILE A 64 4.594 -1.032 -1.275 1.00 0.00 C ATOM 0 H ILE A 64 3.563 -2.914 2.652 1.00 0.00 H new ATOM 0 HA ILE A 64 4.583 -0.253 3.353 1.00 0.00 H new ATOM 0 HB ILE A 64 4.672 0.481 1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.065 -2.382 0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.978 -1.018 0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.657 -0.775 0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.740 -0.417 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.306 -2.052 1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.021 -1.583 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.532 0.036 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.636 -1.349 -1.311 1.00 0.00 H new ATOM 1019 N PHE A 65 2.295 0.731 2.477 1.00 0.00 N ATOM 1020 CA PHE A 65 0.929 1.222 2.440 1.00 0.00 C ATOM 1021 C PHE A 65 0.638 1.855 1.104 1.00 0.00 C ATOM 1022 O PHE A 65 1.406 2.703 0.630 1.00 0.00 O ATOM 1023 CB PHE A 65 0.707 2.290 3.510 1.00 0.00 C ATOM 1024 CG PHE A 65 0.896 1.854 4.933 1.00 0.00 C ATOM 1025 CD1 PHE A 65 2.130 1.948 5.554 1.00 0.00 C ATOM 1026 CD2 PHE A 65 -0.169 1.385 5.656 1.00 0.00 C ATOM 1027 CE1 PHE A 65 2.278 1.569 6.871 1.00 0.00 C ATOM 1028 CE2 PHE A 65 -0.029 1.013 6.966 1.00 0.00 C ATOM 1029 CZ PHE A 65 1.193 1.102 7.578 1.00 0.00 C ATOM 0 H PHE A 65 2.999 1.469 2.443 1.00 0.00 H new ATOM 0 HA PHE A 65 0.272 0.370 2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.387 3.119 3.313 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.306 2.677 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.981 2.320 5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.137 1.307 5.184 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.245 1.638 7.348 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.883 0.649 7.518 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.305 0.807 8.611 1.00 0.00 H new ATOM 1039 N LEU A 66 -0.448 1.446 0.514 1.00 0.00 N ATOM 1040 CA LEU A 66 -0.928 2.024 -0.724 1.00 0.00 C ATOM 1041 C LEU A 66 -2.292 2.609 -0.456 1.00 0.00 C ATOM 1042 O LEU A 66 -3.177 1.916 0.083 1.00 0.00 O ATOM 1043 CB LEU A 66 -1.099 0.980 -1.846 1.00 0.00 C ATOM 1044 CG LEU A 66 0.121 0.267 -2.457 1.00 0.00 C ATOM 1045 CD1 LEU A 66 1.056 1.213 -3.182 1.00 0.00 C ATOM 1046 CD2 LEU A 66 0.866 -0.583 -1.444 1.00 0.00 C ATOM 0 H LEU A 66 -1.036 0.695 0.876 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.195 2.762 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.763 0.205 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.624 1.473 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.284 -0.410 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.896 0.652 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.519 1.705 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.426 1.964 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.717 -1.063 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.220 0.049 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.197 -1.346 -1.047 1.00 0.00 H new ATOM 1058 N GLU A 67 -2.461 3.847 -0.783 1.00 0.00 N ATOM 1059 CA GLU A 67 -3.720 4.516 -0.646 1.00 0.00 C ATOM 1060 C GLU A 67 -4.139 5.033 -2.011 1.00 0.00 C ATOM 1061 O GLU A 67 -3.390 5.795 -2.660 1.00 0.00 O ATOM 1062 CB GLU A 67 -3.591 5.655 0.370 1.00 0.00 C ATOM 1063 CG GLU A 67 -4.849 6.479 0.577 1.00 0.00 C ATOM 1064 CD GLU A 67 -4.690 7.513 1.665 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -4.287 8.656 1.383 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -4.990 7.201 2.834 1.00 0.00 O ATOM 0 H GLU A 67 -1.718 4.436 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.484 3.831 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.290 5.233 1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.789 6.319 0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.112 6.976 -0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.677 5.816 0.829 1.00 0.00 H new ATOM 1073 N TYR A 68 -5.272 4.565 -2.488 1.00 0.00 N ATOM 1074 CA TYR A 68 -5.778 5.000 -3.779 1.00 0.00 C ATOM 1075 C TYR A 68 -6.871 6.074 -3.600 1.00 0.00 C ATOM 1076 O TYR A 68 -7.241 6.400 -2.466 1.00 0.00 O ATOM 1077 CB TYR A 68 -6.255 3.799 -4.616 1.00 0.00 C ATOM 1078 CG TYR A 68 -5.144 2.796 -4.943 1.00 0.00 C ATOM 1079 CD1 TYR A 68 -4.760 1.793 -4.046 1.00 0.00 C ATOM 1080 CD2 TYR A 68 -4.481 2.863 -6.143 1.00 0.00 C ATOM 1081 CE1 TYR A 68 -3.760 0.910 -4.357 1.00 0.00 C ATOM 1082 CE2 TYR A 68 -3.470 1.977 -6.462 1.00 0.00 C ATOM 1083 CZ TYR A 68 -3.116 1.003 -5.559 1.00 0.00 C ATOM 1084 OH TYR A 68 -2.133 0.103 -5.868 1.00 0.00 O ATOM 0 H TYR A 68 -5.861 3.886 -2.006 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.966 5.465 -4.338 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.050 3.284 -4.076 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.687 4.165 -5.547 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.261 1.714 -3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.756 3.627 -6.855 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -3.481 0.141 -3.653 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.962 2.049 -7.413 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.888 0.198 -6.812 1.00 0.00 H new ATOM 1094 N ALA A 69 -7.395 6.597 -4.703 1.00 0.00 N ATOM 1095 CA ALA A 69 -8.313 7.750 -4.666 1.00 0.00 C ATOM 1096 C ALA A 69 -9.757 7.392 -4.295 1.00 0.00 C ATOM 1097 O ALA A 69 -10.560 8.271 -3.962 1.00 0.00 O ATOM 1098 CB ALA A 69 -8.265 8.498 -5.979 1.00 0.00 C ATOM 0 H ALA A 69 -7.204 6.245 -5.641 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.958 8.393 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.947 9.347 -5.939 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.251 8.855 -6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.562 7.831 -6.789 1.00 0.00 H new ATOM 1104 N SER A 70 -10.081 6.145 -4.369 1.00 0.00 N ATOM 1105 CA SER A 70 -11.398 5.642 -3.991 1.00 0.00 C ATOM 1106 C SER A 70 -11.127 4.660 -2.866 1.00 0.00 C ATOM 1107 O SER A 70 -9.938 4.353 -2.668 1.00 0.00 O ATOM 1108 CB SER A 70 -12.003 4.941 -5.210 1.00 0.00 C ATOM 1109 OG SER A 70 -12.045 5.826 -6.338 1.00 0.00 O ATOM 0 H SER A 70 -9.443 5.420 -4.696 1.00 0.00 H new ATOM 0 HA SER A 70 -12.096 6.416 -3.671 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.414 4.058 -5.457 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.010 4.597 -4.975 1.00 0.00 H new ATOM 0 HG SER A 70 -12.433 5.358 -7.107 1.00 0.00 H new ATOM 1115 N PRO A 71 -12.105 4.141 -2.048 1.00 0.00 N ATOM 1116 CA PRO A 71 -11.656 3.209 -1.053 1.00 0.00 C ATOM 1117 C PRO A 71 -11.406 1.874 -1.721 1.00 0.00 C ATOM 1118 O PRO A 71 -10.382 1.337 -1.509 1.00 0.00 O ATOM 1119 CB PRO A 71 -12.852 3.118 -0.082 1.00 0.00 C ATOM 1120 CG PRO A 71 -13.874 4.113 -0.574 1.00 0.00 C ATOM 1121 CD PRO A 71 -13.532 4.424 -2.008 1.00 0.00 C ATOM 0 HA PRO A 71 -10.735 3.500 -0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.266 2.110 -0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.544 3.349 0.938 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -14.880 3.701 -0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.854 5.019 0.032 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.091 3.800 -2.705 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -13.749 5.461 -2.263 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.408 1.299 -2.424 1.00 0.00 N ATOM 1130 CA ALA A 72 -12.397 0.519 -3.700 1.00 0.00 C ATOM 1131 C ALA A 72 -11.162 -0.234 -4.152 1.00 0.00 C ATOM 1132 O ALA A 72 -11.171 -0.795 -5.258 1.00 0.00 O ATOM 1133 CB ALA A 72 -12.925 1.314 -4.808 1.00 0.00 C ATOM 0 H ALA A 72 -13.363 1.375 -2.074 1.00 0.00 H new ATOM 0 HA ALA A 72 -13.045 -0.306 -3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.905 0.722 -5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.951 1.608 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.313 2.206 -4.940 1.00 0.00 H new ATOM 1139 N HIS A 73 -10.189 -0.326 -3.387 1.00 0.00 N ATOM 1140 CA HIS A 73 -8.936 -0.757 -3.925 1.00 0.00 C ATOM 1141 C HIS A 73 -8.392 -1.898 -3.225 1.00 0.00 C ATOM 1142 O HIS A 73 -7.810 -2.782 -3.826 1.00 0.00 O ATOM 1143 CB HIS A 73 -7.905 0.395 -3.985 1.00 0.00 C ATOM 1144 CG HIS A 73 -7.494 1.026 -2.653 1.00 0.00 C ATOM 1145 ND1 HIS A 73 -6.646 0.435 -1.751 1.00 0.00 N ATOM 1146 CD2 HIS A 73 -7.759 2.249 -2.147 1.00 0.00 C ATOM 1147 CE1 HIS A 73 -6.420 1.291 -0.765 1.00 0.00 C ATOM 1148 NE2 HIS A 73 -7.071 2.415 -0.954 1.00 0.00 N ATOM 0 H HIS A 73 -10.198 -0.119 -2.388 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.143 -1.076 -4.947 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.006 0.021 -4.475 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.311 1.181 -4.622 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -8.407 2.985 -2.601 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.783 1.090 0.084 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.071 3.237 -0.351 1.00 0.00 H new ATOM 1156 N ALA A 74 -8.580 -1.922 -1.967 1.00 0.00 N ATOM 1157 CA ALA A 74 -8.074 -2.976 -1.228 1.00 0.00 C ATOM 1158 C ALA A 74 -9.023 -4.145 -1.342 1.00 0.00 C ATOM 1159 O ALA A 74 -8.610 -5.305 -1.266 1.00 0.00 O ATOM 1160 CB ALA A 74 -7.731 -2.518 0.162 1.00 0.00 C ATOM 0 H ALA A 74 -9.085 -1.214 -1.435 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.123 -3.339 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.334 -3.357 0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.983 -1.727 0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.628 -2.138 0.651 1.00 0.00 H new ATOM 1166 N VAL A 75 -10.292 -3.830 -1.667 1.00 0.00 N ATOM 1167 CA VAL A 75 -11.262 -4.860 -1.965 1.00 0.00 C ATOM 1168 C VAL A 75 -10.994 -5.370 -3.399 1.00 0.00 C ATOM 1169 O VAL A 75 -11.333 -6.490 -3.765 1.00 0.00 O ATOM 1170 CB VAL A 75 -12.730 -4.324 -1.847 1.00 0.00 C ATOM 1171 CG1 VAL A 75 -13.080 -3.315 -2.944 1.00 0.00 C ATOM 1172 CG2 VAL A 75 -13.728 -5.465 -1.803 1.00 0.00 C ATOM 0 H VAL A 75 -10.650 -2.877 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.159 -5.670 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 75 -12.792 -3.785 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.108 -2.977 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.407 -2.460 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.975 -3.788 -3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.738 -5.062 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -13.646 -6.056 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -13.519 -6.098 -0.941 1.00 0.00 H new ATOM 1182 N ASP A 76 -10.352 -4.536 -4.199 1.00 0.00 N ATOM 1183 CA ASP A 76 -10.030 -4.894 -5.571 1.00 0.00 C ATOM 1184 C ASP A 76 -8.750 -5.701 -5.594 1.00 0.00 C ATOM 1185 O ASP A 76 -8.589 -6.609 -6.402 1.00 0.00 O ATOM 1186 CB ASP A 76 -9.895 -3.656 -6.455 1.00 0.00 C ATOM 1187 CG ASP A 76 -9.819 -3.990 -7.933 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -10.787 -4.588 -8.469 1.00 0.00 O ATOM 1189 OD2 ASP A 76 -8.829 -3.617 -8.592 1.00 0.00 O ATOM 0 H ASP A 76 -10.043 -3.604 -3.922 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.847 -5.494 -5.972 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.745 -2.997 -6.280 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.000 -3.105 -6.166 1.00 0.00 H new ATOM 1194 N ALA A 77 -7.852 -5.374 -4.682 1.00 0.00 N ATOM 1195 CA ALA A 77 -6.599 -6.082 -4.526 1.00 0.00 C ATOM 1196 C ALA A 77 -6.854 -7.526 -4.147 1.00 0.00 C ATOM 1197 O ALA A 77 -6.387 -8.432 -4.827 1.00 0.00 O ATOM 1198 CB ALA A 77 -5.720 -5.403 -3.486 1.00 0.00 C ATOM 0 H ALA A 77 -7.975 -4.603 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.072 -6.061 -5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.784 -5.953 -3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.509 -4.381 -3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.237 -5.389 -2.526 1.00 0.00 H new ATOM 1204 N VAL A 78 -7.659 -7.733 -3.090 1.00 0.00 N ATOM 1205 CA VAL A 78 -7.995 -9.072 -2.624 1.00 0.00 C ATOM 1206 C VAL A 78 -8.724 -9.867 -3.722 1.00 0.00 C ATOM 1207 O VAL A 78 -8.546 -11.080 -3.858 1.00 0.00 O ATOM 1208 CB VAL A 78 -8.842 -9.035 -1.306 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -8.076 -8.374 -0.174 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -10.182 -8.351 -1.498 1.00 0.00 C ATOM 0 H VAL A 78 -8.085 -6.982 -2.547 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.059 -9.581 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.036 -10.074 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.692 -8.365 0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.160 -8.932 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.826 -7.350 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.729 -8.352 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.022 -7.323 -1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.759 -8.886 -2.253 1.00 0.00 H new ATOM 1220 N LYS A 79 -9.489 -9.143 -4.526 1.00 0.00 N ATOM 1221 CA LYS A 79 -10.243 -9.685 -5.635 1.00 0.00 C ATOM 1222 C LYS A 79 -9.317 -10.193 -6.746 1.00 0.00 C ATOM 1223 O LYS A 79 -9.509 -11.285 -7.282 1.00 0.00 O ATOM 1224 CB LYS A 79 -11.098 -8.583 -6.204 1.00 0.00 C ATOM 1225 CG LYS A 79 -12.055 -9.034 -7.274 1.00 0.00 C ATOM 1226 CD LYS A 79 -12.417 -7.880 -8.150 1.00 0.00 C ATOM 1227 CE LYS A 79 -13.146 -6.762 -7.409 1.00 0.00 C ATOM 1228 NZ LYS A 79 -13.301 -5.558 -8.258 1.00 0.00 N ATOM 0 H LYS A 79 -9.602 -8.135 -4.418 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.844 -10.520 -5.273 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.666 -8.124 -5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.449 -7.810 -6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.601 -9.826 -7.870 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.953 -9.452 -6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.510 -7.476 -8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.046 -8.236 -8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.128 -7.114 -7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.594 -6.503 -6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.167 -5.051 -7.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.479 -4.934 -8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.366 -5.843 -9.256 1.00 0.00 H new ATOM 1242 N ASN A 80 -8.309 -9.410 -7.064 1.00 0.00 N ATOM 1243 CA ASN A 80 -7.438 -9.704 -8.200 1.00 0.00 C ATOM 1244 C ASN A 80 -6.221 -10.524 -7.845 1.00 0.00 C ATOM 1245 O ASN A 80 -5.967 -11.559 -8.477 1.00 0.00 O ATOM 1246 CB ASN A 80 -7.001 -8.425 -8.931 1.00 0.00 C ATOM 1247 CG ASN A 80 -8.110 -7.780 -9.740 1.00 0.00 C ATOM 1248 OD1 ASN A 80 -8.292 -8.083 -10.919 1.00 0.00 O ATOM 1249 ND2 ASN A 80 -8.846 -6.897 -9.134 1.00 0.00 N ATOM 0 H ASN A 80 -8.065 -8.560 -6.555 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.051 -10.312 -8.865 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.631 -7.707 -8.199 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.169 -8.662 -9.594 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.602 -6.432 -9.637 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.668 -6.669 -8.156 1.00 0.00 H new ATOM 1256 N ALA A 81 -5.465 -10.092 -6.857 1.00 0.00 N ATOM 1257 CA ALA A 81 -4.221 -10.744 -6.546 1.00 0.00 C ATOM 1258 C ALA A 81 -3.916 -10.723 -5.062 1.00 0.00 C ATOM 1259 O ALA A 81 -3.558 -9.692 -4.501 1.00 0.00 O ATOM 1260 CB ALA A 81 -3.077 -10.115 -7.335 1.00 0.00 C ATOM 0 H ALA A 81 -5.693 -9.296 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.324 -11.789 -6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.143 -10.620 -7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.273 -10.216 -8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.996 -9.058 -7.079 1.00 0.00 H new ATOM 1266 N ASP A 82 -4.097 -11.850 -4.435 1.00 0.00 N ATOM 1267 CA ASP A 82 -3.751 -12.031 -3.053 1.00 0.00 C ATOM 1268 C ASP A 82 -2.625 -13.045 -2.989 1.00 0.00 C ATOM 1269 O ASP A 82 -2.640 -14.043 -3.736 1.00 0.00 O ATOM 1270 CB ASP A 82 -4.960 -12.504 -2.197 1.00 0.00 C ATOM 1271 CG ASP A 82 -5.380 -13.951 -2.392 1.00 0.00 C ATOM 1272 OD1 ASP A 82 -4.817 -14.846 -1.711 1.00 0.00 O ATOM 1273 OD2 ASP A 82 -6.313 -14.221 -3.182 1.00 0.00 O ATOM 0 H ASP A 82 -4.494 -12.680 -4.874 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.439 -11.074 -2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.717 -12.354 -1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.813 -11.864 -2.422 1.00 0.00 H new ATOM 1278 N GLY A 83 -1.625 -12.766 -2.166 1.00 0.00 N ATOM 1279 CA GLY A 83 -0.480 -13.654 -2.020 1.00 0.00 C ATOM 1280 C GLY A 83 0.246 -13.840 -3.330 1.00 0.00 C ATOM 1281 O GLY A 83 0.495 -14.971 -3.758 1.00 0.00 O ATOM 0 H GLY A 83 -1.583 -11.928 -1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.206 -13.246 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.814 -14.622 -1.647 1.00 0.00 H new ATOM 1285 N TYR A 84 0.573 -12.744 -3.974 1.00 0.00 N ATOM 1286 CA TYR A 84 1.167 -12.805 -5.270 1.00 0.00 C ATOM 1287 C TYR A 84 2.668 -12.700 -5.202 1.00 0.00 C ATOM 1288 O TYR A 84 3.230 -11.762 -4.619 1.00 0.00 O ATOM 1289 CB TYR A 84 0.517 -11.812 -6.261 1.00 0.00 C ATOM 1290 CG TYR A 84 0.586 -10.330 -5.937 1.00 0.00 C ATOM 1291 CD1 TYR A 84 -0.231 -9.766 -4.966 1.00 0.00 C ATOM 1292 CD2 TYR A 84 1.436 -9.491 -6.644 1.00 0.00 C ATOM 1293 CE1 TYR A 84 -0.196 -8.412 -4.701 1.00 0.00 C ATOM 1294 CE2 TYR A 84 1.472 -8.137 -6.391 1.00 0.00 C ATOM 1295 CZ TYR A 84 0.657 -7.602 -5.419 1.00 0.00 C ATOM 1296 OH TYR A 84 0.695 -6.251 -5.165 1.00 0.00 O ATOM 0 H TYR A 84 0.433 -11.801 -3.612 1.00 0.00 H new ATOM 0 HA TYR A 84 0.958 -13.793 -5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.981 -11.962 -7.236 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.534 -12.082 -6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.906 -10.398 -4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.080 -9.906 -7.405 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.832 -7.990 -3.937 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.137 -7.498 -6.953 1.00 0.00 H new ATOM 0 HH TYR A 84 1.350 -5.825 -5.757 1.00 0.00 H new ATOM 1306 N LYS A 85 3.305 -13.687 -5.765 1.00 0.00 N ATOM 1307 CA LYS A 85 4.729 -13.807 -5.747 1.00 0.00 C ATOM 1308 C LYS A 85 5.343 -13.296 -7.017 1.00 0.00 C ATOM 1309 O LYS A 85 5.032 -13.776 -8.120 1.00 0.00 O ATOM 1310 CB LYS A 85 5.215 -15.256 -5.437 1.00 0.00 C ATOM 1311 CG LYS A 85 4.490 -16.394 -6.167 1.00 0.00 C ATOM 1312 CD LYS A 85 3.176 -16.775 -5.474 1.00 0.00 C ATOM 1313 CE LYS A 85 2.443 -17.886 -6.210 1.00 0.00 C ATOM 1314 NZ LYS A 85 3.237 -19.130 -6.290 1.00 0.00 N ATOM 0 H LYS A 85 2.835 -14.446 -6.259 1.00 0.00 H new ATOM 0 HA LYS A 85 5.072 -13.179 -4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.276 -15.318 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.121 -15.425 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.284 -16.093 -7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.141 -17.267 -6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.384 -17.093 -4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.533 -15.897 -5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.500 -18.092 -5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.197 -17.550 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.638 -19.902 -6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.040 -18.989 -6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.593 -19.376 -5.344 1.00 0.00 H new ATOM 1328 N LEU A 86 6.155 -12.290 -6.864 1.00 0.00 N ATOM 1329 CA LEU A 86 6.907 -11.751 -7.976 1.00 0.00 C ATOM 1330 C LEU A 86 8.185 -12.549 -8.089 1.00 0.00 C ATOM 1331 O LEU A 86 8.519 -13.105 -9.139 1.00 0.00 O ATOM 1332 CB LEU A 86 7.306 -10.272 -7.769 1.00 0.00 C ATOM 1333 CG LEU A 86 6.223 -9.234 -7.486 1.00 0.00 C ATOM 1334 CD1 LEU A 86 6.842 -7.842 -7.507 1.00 0.00 C ATOM 1335 CD2 LEU A 86 5.080 -9.321 -8.480 1.00 0.00 C ATOM 0 H LEU A 86 6.319 -11.818 -5.975 1.00 0.00 H new ATOM 0 HA LEU A 86 6.280 -11.811 -8.865 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.015 -10.238 -6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.842 -9.950 -8.662 1.00 0.00 H new ATOM 0 HG LEU A 86 5.805 -9.437 -6.500 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.071 -7.098 -7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.618 -7.777 -6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.281 -7.654 -8.487 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.332 -8.565 -8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.460 -9.151 -9.487 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.626 -10.310 -8.426 1.00 0.00 H new ATOM 1347 N ASP A 87 8.875 -12.622 -6.967 1.00 0.00 N ATOM 1348 CA ASP A 87 10.178 -13.236 -6.869 1.00 0.00 C ATOM 1349 C ASP A 87 10.287 -13.899 -5.511 1.00 0.00 C ATOM 1350 O ASP A 87 9.278 -14.001 -4.804 1.00 0.00 O ATOM 1351 CB ASP A 87 11.303 -12.183 -7.034 1.00 0.00 C ATOM 1352 CG ASP A 87 11.310 -11.474 -8.386 1.00 0.00 C ATOM 1353 OD1 ASP A 87 11.892 -12.028 -9.370 1.00 0.00 O ATOM 1354 OD2 ASP A 87 10.738 -10.361 -8.497 1.00 0.00 O ATOM 0 H ASP A 87 8.535 -12.247 -6.081 1.00 0.00 H new ATOM 0 HA ASP A 87 10.293 -13.972 -7.665 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.203 -11.436 -6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.266 -12.672 -6.889 1.00 0.00 H new ATOM 1359 N LYS A 88 11.502 -14.317 -5.146 1.00 0.00 N ATOM 1360 CA LYS A 88 11.802 -15.035 -3.914 1.00 0.00 C ATOM 1361 C LYS A 88 11.117 -14.460 -2.669 1.00 0.00 C ATOM 1362 O LYS A 88 10.197 -15.064 -2.132 1.00 0.00 O ATOM 1363 CB LYS A 88 13.321 -15.133 -3.682 1.00 0.00 C ATOM 1364 CG LYS A 88 13.686 -15.872 -2.397 1.00 0.00 C ATOM 1365 CD LYS A 88 15.185 -16.004 -2.189 1.00 0.00 C ATOM 1366 CE LYS A 88 15.880 -14.652 -2.093 1.00 0.00 C ATOM 1367 NZ LYS A 88 17.305 -14.790 -1.719 1.00 0.00 N ATOM 0 H LYS A 88 12.328 -14.157 -5.722 1.00 0.00 H new ATOM 0 HA LYS A 88 11.388 -16.033 -4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.779 -15.643 -4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.743 -14.128 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.253 -15.345 -1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.239 -16.866 -2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.374 -16.572 -1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.615 -16.572 -3.014 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.804 -14.136 -3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.369 -14.033 -1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.742 -13.848 -1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.377 -15.260 -0.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.798 -15.360 -2.436 1.00 0.00 H new ATOM 1381 N GLN A 89 11.537 -13.294 -2.234 1.00 0.00 N ATOM 1382 CA GLN A 89 10.984 -12.730 -1.020 1.00 0.00 C ATOM 1383 C GLN A 89 9.935 -11.684 -1.318 1.00 0.00 C ATOM 1384 O GLN A 89 9.462 -10.989 -0.436 1.00 0.00 O ATOM 1385 CB GLN A 89 12.101 -12.268 -0.039 1.00 0.00 C ATOM 1386 CG GLN A 89 13.133 -11.263 -0.579 1.00 0.00 C ATOM 1387 CD GLN A 89 12.712 -9.824 -0.539 1.00 0.00 C ATOM 1388 OE1 GLN A 89 13.060 -9.046 -1.418 1.00 0.00 O ATOM 1389 NE2 GLN A 89 12.149 -9.422 0.548 1.00 0.00 N ATOM 0 H GLN A 89 12.248 -12.724 -2.692 1.00 0.00 H new ATOM 0 HA GLN A 89 10.452 -13.518 -0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.623 -11.826 0.835 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.637 -13.153 0.305 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.054 -11.371 -0.006 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.367 -11.527 -1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 89 11.872 -10.099 1.259 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.980 -8.427 0.697 1.00 0.00 H new ATOM 1398 N HIS A 90 9.531 -11.620 -2.573 1.00 0.00 N ATOM 1399 CA HIS A 90 8.480 -10.702 -2.964 1.00 0.00 C ATOM 1400 C HIS A 90 7.202 -11.496 -3.124 1.00 0.00 C ATOM 1401 O HIS A 90 6.920 -12.024 -4.204 1.00 0.00 O ATOM 1402 CB HIS A 90 8.741 -10.042 -4.321 1.00 0.00 C ATOM 1403 CG HIS A 90 10.085 -9.397 -4.535 1.00 0.00 C ATOM 1404 ND1 HIS A 90 10.671 -9.222 -5.782 1.00 0.00 N ATOM 1405 CD2 HIS A 90 10.945 -8.872 -3.655 1.00 0.00 C ATOM 1406 CE1 HIS A 90 11.837 -8.606 -5.609 1.00 0.00 C ATOM 1407 NE2 HIS A 90 12.058 -8.368 -4.334 1.00 0.00 N ATOM 0 H HIS A 90 9.910 -12.187 -3.331 1.00 0.00 H new ATOM 0 HA HIS A 90 8.426 -9.929 -2.197 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.604 -10.798 -5.094 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.975 -9.283 -4.478 1.00 0.00 H new ATOM 0 HD1 HIS A 90 10.276 -9.515 -6.675 1.00 0.00 H new ATOM 0 HD2 HIS A 90 10.801 -8.842 -2.585 1.00 0.00 H new ATOM 0 HE1 HIS A 90 12.512 -8.337 -6.408 1.00 0.00 H new ATOM 1415 N THR A 91 6.498 -11.666 -2.074 1.00 0.00 N ATOM 1416 CA THR A 91 5.225 -12.358 -2.113 1.00 0.00 C ATOM 1417 C THR A 91 4.199 -11.607 -1.311 1.00 0.00 C ATOM 1418 O THR A 91 4.053 -11.830 -0.131 1.00 0.00 O ATOM 1419 CB THR A 91 5.328 -13.821 -1.669 1.00 0.00 C ATOM 1420 OG1 THR A 91 6.448 -14.431 -2.348 1.00 0.00 O ATOM 1421 CG2 THR A 91 4.061 -14.545 -2.072 1.00 0.00 C ATOM 0 H THR A 91 6.769 -11.336 -1.148 1.00 0.00 H new ATOM 0 HA THR A 91 4.903 -12.385 -3.154 1.00 0.00 H new ATOM 0 HB THR A 91 5.464 -13.878 -0.589 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.527 -15.368 -2.072 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.123 -15.588 -1.761 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.204 -14.073 -1.591 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.942 -14.496 -3.154 1.00 0.00 H new ATOM 1429 N PHE A 92 3.459 -10.785 -1.955 1.00 0.00 N ATOM 1430 CA PHE A 92 2.639 -9.847 -1.252 1.00 0.00 C ATOM 1431 C PHE A 92 1.347 -10.460 -0.799 1.00 0.00 C ATOM 1432 O PHE A 92 0.455 -10.726 -1.613 1.00 0.00 O ATOM 1433 CB PHE A 92 2.349 -8.644 -2.122 1.00 0.00 C ATOM 1434 CG PHE A 92 3.563 -8.036 -2.732 1.00 0.00 C ATOM 1435 CD1 PHE A 92 4.463 -7.325 -1.975 1.00 0.00 C ATOM 1436 CD2 PHE A 92 3.800 -8.184 -4.073 1.00 0.00 C ATOM 1437 CE1 PHE A 92 5.583 -6.771 -2.565 1.00 0.00 C ATOM 1438 CE2 PHE A 92 4.901 -7.641 -4.661 1.00 0.00 C ATOM 1439 CZ PHE A 92 5.797 -6.933 -3.919 1.00 0.00 C ATOM 0 H PHE A 92 3.397 -10.735 -2.972 1.00 0.00 H new ATOM 0 HA PHE A 92 3.194 -9.536 -0.367 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.664 -8.939 -2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.838 -7.890 -1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.294 -7.199 -0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.099 -8.743 -4.676 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.289 -6.213 -1.968 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.065 -7.772 -5.720 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.669 -6.501 -4.387 1.00 0.00 H new ATOM 1449 N ARG A 93 1.256 -10.725 0.481 1.00 0.00 N ATOM 1450 CA ARG A 93 -0.004 -11.164 1.040 1.00 0.00 C ATOM 1451 C ARG A 93 -0.808 -9.932 1.314 1.00 0.00 C ATOM 1452 O ARG A 93 -0.253 -8.911 1.735 1.00 0.00 O ATOM 1453 CB ARG A 93 0.098 -11.988 2.343 1.00 0.00 C ATOM 1454 CG ARG A 93 0.804 -13.336 2.266 1.00 0.00 C ATOM 1455 CD ARG A 93 2.316 -13.233 2.313 1.00 0.00 C ATOM 1456 NE ARG A 93 2.913 -14.566 2.463 1.00 0.00 N ATOM 1457 CZ ARG A 93 3.741 -14.945 3.454 1.00 0.00 C ATOM 1458 NH1 ARG A 93 4.198 -14.061 4.338 1.00 0.00 N ATOM 1459 NH2 ARG A 93 4.117 -16.218 3.548 1.00 0.00 N ATOM 0 H ARG A 93 2.024 -10.647 1.148 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.458 -11.838 0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.613 -11.380 3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.913 -12.158 2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.465 -13.962 3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.511 -13.838 1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.684 -12.763 1.401 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.618 -12.596 3.144 1.00 0.00 H new ATOM 0 HE ARG A 93 2.681 -15.264 1.756 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.921 -13.082 4.270 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.825 -14.363 5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.778 -16.901 2.871 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.744 -16.510 4.297 1.00 0.00 H new ATOM 1473 N VAL A 94 -2.071 -10.004 1.084 1.00 0.00 N ATOM 1474 CA VAL A 94 -2.911 -8.857 1.252 1.00 0.00 C ATOM 1475 C VAL A 94 -3.645 -8.949 2.602 1.00 0.00 C ATOM 1476 O VAL A 94 -4.424 -9.885 2.844 1.00 0.00 O ATOM 1477 CB VAL A 94 -3.896 -8.700 0.035 1.00 0.00 C ATOM 1478 CG1 VAL A 94 -3.115 -8.501 -1.265 1.00 0.00 C ATOM 1479 CG2 VAL A 94 -4.784 -9.911 -0.113 1.00 0.00 C ATOM 0 H VAL A 94 -2.554 -10.848 0.777 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.299 -7.955 1.268 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.516 -7.826 0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.812 -8.394 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.503 -7.603 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.473 -9.364 -1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.452 -9.770 -0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.169 -10.795 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.373 -10.043 0.794 1.00 0.00 H new ATOM 1489 N ASN A 95 -3.342 -8.040 3.513 1.00 0.00 N ATOM 1490 CA ASN A 95 -3.989 -8.065 4.817 1.00 0.00 C ATOM 1491 C ASN A 95 -3.960 -6.659 5.382 1.00 0.00 C ATOM 1492 O ASN A 95 -3.713 -5.729 4.640 1.00 0.00 O ATOM 1493 CB ASN A 95 -3.311 -9.104 5.784 1.00 0.00 C ATOM 1494 CG ASN A 95 -2.090 -8.621 6.573 1.00 0.00 C ATOM 1495 OD1 ASN A 95 -1.271 -7.802 5.997 1.00 0.00 O flip ATOM 1496 ND2 ASN A 95 -1.889 -9.051 7.709 1.00 0.00 N flip ATOM 0 H ASN A 95 -2.666 -7.288 3.380 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.023 -8.394 4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.062 -9.445 6.496 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -3.013 -9.972 5.195 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.554 -9.696 8.135 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -1.057 -8.762 8.224 1.00 0.00 H new