USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 516 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 62 TYR OH : rot 180:sc= -0.249 USER MOD Set 1.2: A 66 SER OG : rot -39:sc= 0.129 USER MOD Set 2.1: A 48 ASN : amide:sc= 0 X(o=-1.3,f=-1.3) USER MOD Set 2.2: A 50 ASN : amide:sc= -1.31 K(o=-1.3,f=-6.7!) USER MOD Set 3.1: A 17 TYR OH : rot -95:sc= 0.846 USER MOD Set 3.2: A 74 TYR OH : rot 130:sc= 0.745 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 18 TYR OH : rot 58:sc= 2.22 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc=-0.00191 K(o=-0.0019,f=-0.91) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.754 USER MOD Single : A 29 GLN : amide:sc= 1.19 K(o=1.2,f=-0.67) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -0.032 (180deg=-0.244) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0194) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -2.26! C(o=-2.3!,f=-2.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.24) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 59 SER OG : rot 71:sc= 0.959 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= -1.27 (180deg=-1.46) USER MOD Single : A 76 LYS NZ :NH3+ -157:sc= 1.19 (180deg=0.727) USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 16 11.284 21.153 -22.156 1.00 0.00 N ATOM 242 CA THR A 16 12.375 22.081 -22.041 1.00 0.00 C ATOM 243 C THR A 16 13.388 21.605 -21.015 1.00 0.00 C ATOM 244 O THR A 16 13.170 20.615 -20.339 1.00 0.00 O ATOM 245 CB THR A 16 11.880 23.528 -21.722 1.00 0.00 C ATOM 246 OG1 THR A 16 12.987 24.414 -21.497 1.00 0.00 O ATOM 247 CG2 THR A 16 10.958 23.543 -20.512 1.00 0.00 C ATOM 0 HA THR A 16 12.871 22.121 -23.011 1.00 0.00 H new ATOM 0 HB THR A 16 11.320 23.875 -22.590 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.651 25.314 -21.301 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.631 24.564 -20.316 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.089 22.915 -20.709 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.492 23.160 -19.643 1.00 0.00 H new ATOM 255 N TYR A 17 14.477 22.336 -20.898 1.00 0.00 N ATOM 256 CA TYR A 17 15.558 22.003 -19.978 1.00 0.00 C ATOM 257 C TYR A 17 15.041 21.961 -18.553 1.00 0.00 C ATOM 258 O TYR A 17 15.467 21.143 -17.747 1.00 0.00 O ATOM 259 CB TYR A 17 16.689 23.035 -20.116 1.00 0.00 C ATOM 260 CG TYR A 17 17.278 23.105 -21.514 1.00 0.00 C ATOM 261 CD1 TYR A 17 18.003 22.042 -22.041 1.00 0.00 C ATOM 262 CD2 TYR A 17 17.094 24.229 -22.315 1.00 0.00 C ATOM 263 CE1 TYR A 17 18.530 22.094 -23.318 1.00 0.00 C ATOM 264 CE2 TYR A 17 17.618 24.288 -23.594 1.00 0.00 C ATOM 265 CZ TYR A 17 18.336 23.220 -24.090 1.00 0.00 C ATOM 266 OH TYR A 17 18.854 23.273 -25.364 1.00 0.00 O ATOM 0 H TYR A 17 14.643 23.184 -21.439 1.00 0.00 H new ATOM 0 HA TYR A 17 15.950 21.017 -20.226 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.308 24.019 -19.841 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.481 22.791 -19.408 1.00 0.00 H new ATOM 0 HD1 TYR A 17 18.158 21.158 -21.441 1.00 0.00 H new ATOM 0 HD2 TYR A 17 16.533 25.068 -21.932 1.00 0.00 H new ATOM 0 HE1 TYR A 17 19.090 21.258 -23.709 1.00 0.00 H new ATOM 0 HE2 TYR A 17 17.465 25.167 -24.202 1.00 0.00 H new ATOM 0 HH TYR A 17 19.724 23.723 -25.345 1.00 0.00 H new ATOM 276 N TYR A 18 14.102 22.833 -18.262 1.00 0.00 N ATOM 277 CA TYR A 18 13.493 22.888 -16.973 1.00 0.00 C ATOM 278 C TYR A 18 12.600 21.661 -16.786 1.00 0.00 C ATOM 279 O TYR A 18 12.543 21.081 -15.713 1.00 0.00 O ATOM 280 CB TYR A 18 12.669 24.157 -16.867 1.00 0.00 C ATOM 281 CG TYR A 18 13.469 25.456 -16.929 1.00 0.00 C ATOM 282 CD1 TYR A 18 14.327 25.745 -18.000 1.00 0.00 C ATOM 283 CD2 TYR A 18 13.350 26.398 -15.921 1.00 0.00 C ATOM 284 CE1 TYR A 18 15.032 26.934 -18.046 1.00 0.00 C ATOM 285 CE2 TYR A 18 14.045 27.588 -15.970 1.00 0.00 C ATOM 286 CZ TYR A 18 14.881 27.854 -17.030 1.00 0.00 C ATOM 287 OH TYR A 18 15.570 29.045 -17.075 1.00 0.00 O ATOM 0 H TYR A 18 13.745 23.523 -18.923 1.00 0.00 H new ATOM 0 HA TYR A 18 14.258 22.893 -16.196 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.934 24.163 -17.672 1.00 0.00 H new ATOM 0 HB3 TYR A 18 12.115 24.134 -15.929 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.439 25.029 -18.800 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.701 26.197 -15.081 1.00 0.00 H new ATOM 0 HE1 TYR A 18 15.696 27.141 -18.872 1.00 0.00 H new ATOM 0 HE2 TYR A 18 13.933 28.312 -15.176 1.00 0.00 H new ATOM 0 HH TYR A 18 15.346 29.521 -17.902 1.00 0.00 H new ATOM 297 N ASP A 19 11.912 21.283 -17.870 1.00 0.00 N ATOM 298 CA ASP A 19 11.025 20.114 -17.875 1.00 0.00 C ATOM 299 C ASP A 19 11.826 18.825 -17.709 1.00 0.00 C ATOM 300 O ASP A 19 11.406 17.909 -17.011 1.00 0.00 O ATOM 301 CB ASP A 19 10.209 20.055 -19.176 1.00 0.00 C ATOM 302 CG ASP A 19 9.075 19.043 -19.088 1.00 0.00 C ATOM 303 OD1 ASP A 19 8.018 19.384 -18.510 1.00 0.00 O ATOM 304 OD2 ASP A 19 9.236 17.913 -19.572 1.00 0.00 O ATOM 0 H ASP A 19 11.954 21.775 -18.762 1.00 0.00 H new ATOM 0 HA ASP A 19 10.339 20.213 -17.033 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.799 21.042 -19.393 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.866 19.793 -20.005 1.00 0.00 H new ATOM 309 N VAL A 20 12.985 18.777 -18.355 1.00 0.00 N ATOM 310 CA VAL A 20 13.898 17.636 -18.263 1.00 0.00 C ATOM 311 C VAL A 20 14.315 17.439 -16.819 1.00 0.00 C ATOM 312 O VAL A 20 14.386 16.316 -16.322 1.00 0.00 O ATOM 313 CB VAL A 20 15.156 17.856 -19.140 1.00 0.00 C ATOM 314 CG1 VAL A 20 16.124 16.704 -19.018 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.765 18.057 -20.580 1.00 0.00 C ATOM 0 H VAL A 20 13.322 19.527 -18.959 1.00 0.00 H new ATOM 0 HA VAL A 20 13.378 16.749 -18.626 1.00 0.00 H new ATOM 0 HB VAL A 20 15.657 18.754 -18.780 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.994 16.892 -19.646 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.441 16.603 -17.980 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.637 15.784 -19.339 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.661 18.210 -21.182 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.233 17.176 -20.939 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.118 18.930 -20.663 1.00 0.00 H new ATOM 325 N LEU A 21 14.561 18.548 -16.147 1.00 0.00 N ATOM 326 CA LEU A 21 14.947 18.523 -14.734 1.00 0.00 C ATOM 327 C LEU A 21 13.713 18.415 -13.855 1.00 0.00 C ATOM 328 O LEU A 21 13.813 18.212 -12.653 1.00 0.00 O ATOM 329 CB LEU A 21 15.746 19.785 -14.352 1.00 0.00 C ATOM 330 CG LEU A 21 17.260 19.775 -14.641 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.989 18.860 -13.680 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.556 19.364 -16.061 1.00 0.00 C ATOM 0 H LEU A 21 14.502 19.483 -16.551 1.00 0.00 H new ATOM 0 HA LEU A 21 15.583 17.652 -14.577 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.308 20.634 -14.877 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.607 19.963 -13.286 1.00 0.00 H new ATOM 0 HG LEU A 21 17.617 20.795 -14.501 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.055 18.871 -13.905 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.830 19.205 -12.658 1.00 0.00 H new ATOM 0 HD13 LEU A 21 17.607 17.845 -13.784 1.00 0.00 H new ATOM 0 HD21 LEU A 21 18.634 19.370 -16.224 1.00 0.00 H new ATOM 0 HD22 LEU A 21 17.167 18.361 -16.238 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.081 20.064 -16.749 1.00 0.00 H new ATOM 344 N GLY A 22 12.548 18.514 -14.476 1.00 0.00 N ATOM 345 CA GLY A 22 11.302 18.420 -13.755 1.00 0.00 C ATOM 346 C GLY A 22 11.157 19.520 -12.725 1.00 0.00 C ATOM 347 O GLY A 22 10.675 19.285 -11.611 1.00 0.00 O ATOM 0 H GLY A 22 12.446 18.660 -15.480 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.471 18.471 -14.459 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.242 17.450 -13.261 1.00 0.00 H new ATOM 351 N VAL A 23 11.553 20.723 -13.094 1.00 0.00 N ATOM 352 CA VAL A 23 11.544 21.830 -12.174 1.00 0.00 C ATOM 353 C VAL A 23 10.805 23.024 -12.803 1.00 0.00 C ATOM 354 O VAL A 23 10.628 23.082 -14.025 1.00 0.00 O ATOM 355 CB VAL A 23 12.998 22.235 -11.807 1.00 0.00 C ATOM 356 CG1 VAL A 23 13.573 23.260 -12.763 1.00 0.00 C ATOM 357 CG2 VAL A 23 13.119 22.661 -10.360 1.00 0.00 C ATOM 0 H VAL A 23 11.885 20.953 -14.030 1.00 0.00 H new ATOM 0 HA VAL A 23 11.026 21.530 -11.263 1.00 0.00 H new ATOM 0 HB VAL A 23 13.610 21.340 -11.921 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.591 23.508 -12.461 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.584 22.850 -13.773 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.959 24.160 -12.744 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.152 22.936 -10.147 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.471 23.518 -10.178 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.822 21.837 -9.712 1.00 0.00 H new ATOM 367 N LYS A 24 10.356 23.952 -11.974 1.00 0.00 N ATOM 368 CA LYS A 24 9.629 25.114 -12.456 1.00 0.00 C ATOM 369 C LYS A 24 10.591 26.237 -12.842 1.00 0.00 C ATOM 370 O LYS A 24 11.728 26.272 -12.391 1.00 0.00 O ATOM 371 CB LYS A 24 8.647 25.616 -11.389 1.00 0.00 C ATOM 372 CG LYS A 24 7.567 24.612 -10.996 1.00 0.00 C ATOM 373 CD LYS A 24 6.535 25.244 -10.072 1.00 0.00 C ATOM 374 CE LYS A 24 5.472 24.239 -9.656 1.00 0.00 C ATOM 375 NZ LYS A 24 4.385 24.866 -8.861 1.00 0.00 N ATOM 0 H LYS A 24 10.483 23.923 -10.962 1.00 0.00 H new ATOM 0 HA LYS A 24 9.069 24.814 -13.342 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.210 25.892 -10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.166 26.523 -11.755 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.074 24.235 -11.892 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.026 23.756 -10.501 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.032 25.638 -9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.063 26.088 -10.575 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.047 23.774 -10.545 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.935 23.444 -9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.684 24.143 -8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.785 25.288 -7.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.924 25.607 -9.427 1.00 0.00 H new ATOM 389 N PRO A 25 10.135 27.177 -13.682 1.00 0.00 N ATOM 390 CA PRO A 25 10.937 28.340 -14.106 1.00 0.00 C ATOM 391 C PRO A 25 11.196 29.326 -12.956 1.00 0.00 C ATOM 392 O PRO A 25 11.919 30.305 -13.117 1.00 0.00 O ATOM 393 CB PRO A 25 10.066 29.007 -15.183 1.00 0.00 C ATOM 394 CG PRO A 25 9.060 27.972 -15.565 1.00 0.00 C ATOM 395 CD PRO A 25 8.823 27.162 -14.329 1.00 0.00 C ATOM 0 HA PRO A 25 11.924 28.039 -14.457 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.582 29.905 -14.798 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.665 29.311 -16.042 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.136 28.434 -15.914 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.430 27.347 -16.378 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.054 27.604 -13.696 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.499 26.148 -14.564 1.00 0.00 H new ATOM 403 N ASN A 26 10.593 29.055 -11.805 1.00 0.00 N ATOM 404 CA ASN A 26 10.733 29.914 -10.634 1.00 0.00 C ATOM 405 C ASN A 26 11.531 29.201 -9.564 1.00 0.00 C ATOM 406 O ASN A 26 11.627 29.667 -8.426 1.00 0.00 O ATOM 407 CB ASN A 26 9.360 30.303 -10.091 1.00 0.00 C ATOM 408 CG ASN A 26 8.606 31.257 -11.003 1.00 0.00 C ATOM 409 OD1 ASN A 26 9.207 32.073 -11.700 1.00 0.00 O ATOM 410 ND2 ASN A 26 7.291 31.163 -11.006 1.00 0.00 N ATOM 0 H ASN A 26 9.997 28.240 -11.656 1.00 0.00 H new ATOM 0 HA ASN A 26 11.260 30.822 -10.927 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.765 29.402 -9.946 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.481 30.766 -9.112 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.737 31.780 -11.600 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.828 30.474 -10.414 1.00 0.00 H new ATOM 417 N ALA A 27 12.105 28.066 -9.943 1.00 0.00 N ATOM 418 CA ALA A 27 12.853 27.234 -9.040 1.00 0.00 C ATOM 419 C ALA A 27 14.123 27.894 -8.558 1.00 0.00 C ATOM 420 O ALA A 27 14.723 28.723 -9.251 1.00 0.00 O ATOM 421 CB ALA A 27 13.151 25.925 -9.704 1.00 0.00 C ATOM 0 H ALA A 27 12.058 27.704 -10.895 1.00 0.00 H new ATOM 0 HA ALA A 27 12.241 27.067 -8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.718 25.292 -9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.217 25.429 -9.967 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.736 26.100 -10.607 1.00 0.00 H new ATOM 427 N THR A 28 14.506 27.540 -7.357 1.00 0.00 N ATOM 428 CA THR A 28 15.680 28.085 -6.721 1.00 0.00 C ATOM 429 C THR A 28 16.913 27.340 -7.088 1.00 0.00 C ATOM 430 O THR A 28 16.858 26.267 -7.683 1.00 0.00 O ATOM 431 CB THR A 28 15.536 28.049 -5.204 1.00 0.00 C ATOM 432 OG1 THR A 28 15.482 26.690 -4.749 1.00 0.00 O ATOM 433 CG2 THR A 28 14.277 28.730 -4.819 1.00 0.00 C ATOM 0 H THR A 28 14.006 26.858 -6.787 1.00 0.00 H new ATOM 0 HA THR A 28 15.770 29.113 -7.071 1.00 0.00 H new ATOM 0 HB THR A 28 16.392 28.551 -4.752 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.391 26.675 -3.773 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.168 28.708 -3.735 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.304 29.765 -5.160 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.431 28.219 -5.279 1.00 0.00 H new ATOM 441 N GLN A 29 18.030 27.920 -6.730 1.00 0.00 N ATOM 442 CA GLN A 29 19.312 27.291 -6.895 1.00 0.00 C ATOM 443 C GLN A 29 19.307 25.919 -6.220 1.00 0.00 C ATOM 444 O GLN A 29 19.835 24.938 -6.755 1.00 0.00 O ATOM 445 CB GLN A 29 20.385 28.187 -6.283 1.00 0.00 C ATOM 446 CG GLN A 29 21.800 27.629 -6.346 1.00 0.00 C ATOM 447 CD GLN A 29 22.332 27.503 -7.756 1.00 0.00 C ATOM 448 OE1 GLN A 29 21.990 28.291 -8.638 1.00 0.00 O ATOM 449 NE2 GLN A 29 23.179 26.523 -7.972 1.00 0.00 N ATOM 0 H GLN A 29 18.074 28.850 -6.313 1.00 0.00 H new ATOM 0 HA GLN A 29 19.525 27.150 -7.955 1.00 0.00 H new ATOM 0 HB2 GLN A 29 20.367 29.150 -6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.130 28.374 -5.240 1.00 0.00 H new ATOM 0 HG2 GLN A 29 22.464 28.275 -5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 29 21.818 26.649 -5.870 1.00 0.00 H new ATOM 0 HE21 GLN A 29 23.435 25.893 -7.212 1.00 0.00 H new ATOM 0 HE22 GLN A 29 23.581 26.392 -8.900 1.00 0.00 H new ATOM 458 N GLU A 30 18.682 25.865 -5.057 1.00 0.00 N ATOM 459 CA GLU A 30 18.589 24.638 -4.294 1.00 0.00 C ATOM 460 C GLU A 30 17.641 23.667 -4.985 1.00 0.00 C ATOM 461 O GLU A 30 17.903 22.471 -5.066 1.00 0.00 O ATOM 462 CB GLU A 30 18.074 24.941 -2.893 1.00 0.00 C ATOM 463 CG GLU A 30 18.346 23.843 -1.885 1.00 0.00 C ATOM 464 CD GLU A 30 19.823 23.694 -1.589 1.00 0.00 C ATOM 465 OE1 GLU A 30 20.434 24.668 -1.084 1.00 0.00 O ATOM 466 OE2 GLU A 30 20.384 22.617 -1.853 1.00 0.00 O ATOM 0 H GLU A 30 18.228 26.667 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 30 19.579 24.187 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 30 18.532 25.865 -2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.999 25.117 -2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.812 24.060 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 30 17.956 22.899 -2.264 1.00 0.00 H new ATOM 473 N GLU A 31 16.544 24.210 -5.494 1.00 0.00 N ATOM 474 CA GLU A 31 15.532 23.449 -6.161 1.00 0.00 C ATOM 475 C GLU A 31 16.059 22.821 -7.452 1.00 0.00 C ATOM 476 O GLU A 31 15.723 21.678 -7.776 1.00 0.00 O ATOM 477 CB GLU A 31 14.329 24.348 -6.425 1.00 0.00 C ATOM 478 CG GLU A 31 13.141 23.621 -6.975 1.00 0.00 C ATOM 479 CD GLU A 31 11.870 24.436 -6.908 1.00 0.00 C ATOM 480 OE1 GLU A 31 11.950 25.670 -6.713 1.00 0.00 O ATOM 481 OE2 GLU A 31 10.780 23.845 -7.030 1.00 0.00 O ATOM 0 H GLU A 31 16.342 25.209 -5.447 1.00 0.00 H new ATOM 0 HA GLU A 31 15.226 22.622 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.044 24.840 -5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.619 25.132 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.337 23.347 -8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.001 22.693 -6.421 1.00 0.00 H new ATOM 488 N LEU A 32 16.891 23.563 -8.177 1.00 0.00 N ATOM 489 CA LEU A 32 17.515 23.056 -9.399 1.00 0.00 C ATOM 490 C LEU A 32 18.380 21.844 -9.076 1.00 0.00 C ATOM 491 O LEU A 32 18.333 20.818 -9.760 1.00 0.00 O ATOM 492 CB LEU A 32 18.386 24.138 -10.040 1.00 0.00 C ATOM 493 CG LEU A 32 17.684 25.164 -10.928 1.00 0.00 C ATOM 494 CD1 LEU A 32 16.203 25.259 -10.609 1.00 0.00 C ATOM 495 CD2 LEU A 32 18.325 26.522 -10.764 1.00 0.00 C ATOM 0 H LEU A 32 17.150 24.521 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 32 16.727 22.769 -10.096 1.00 0.00 H new ATOM 0 HB2 LEU A 32 18.898 24.676 -9.242 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.154 23.645 -10.636 1.00 0.00 H new ATOM 0 HG LEU A 32 17.789 24.831 -11.961 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.737 25.998 -11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.734 24.288 -10.768 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.073 25.559 -9.569 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.816 27.244 -11.402 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.247 26.838 -9.724 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.376 26.465 -11.048 1.00 0.00 H new ATOM 507 N LYS A 33 19.151 21.978 -8.008 1.00 0.00 N ATOM 508 CA LYS A 33 20.028 20.933 -7.519 1.00 0.00 C ATOM 509 C LYS A 33 19.214 19.725 -7.048 1.00 0.00 C ATOM 510 O LYS A 33 19.559 18.573 -7.332 1.00 0.00 O ATOM 511 CB LYS A 33 20.873 21.499 -6.379 1.00 0.00 C ATOM 512 CG LYS A 33 21.930 20.560 -5.837 1.00 0.00 C ATOM 513 CD LYS A 33 22.774 21.259 -4.782 1.00 0.00 C ATOM 514 CE LYS A 33 23.859 20.347 -4.245 1.00 0.00 C ATOM 515 NZ LYS A 33 23.295 19.135 -3.609 1.00 0.00 N ATOM 0 H LYS A 33 19.183 22.831 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 33 20.682 20.594 -8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.361 22.409 -6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.210 21.785 -5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 33 21.455 19.679 -5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.568 20.213 -6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.228 22.153 -5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 33 22.135 21.588 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.523 20.055 -5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.464 20.890 -3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.038 18.650 -3.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.520 19.407 -2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.930 18.495 -4.343 1.00 0.00 H new ATOM 529 N LYS A 34 18.125 20.009 -6.338 1.00 0.00 N ATOM 530 CA LYS A 34 17.250 18.975 -5.797 1.00 0.00 C ATOM 531 C LYS A 34 16.616 18.168 -6.923 1.00 0.00 C ATOM 532 O LYS A 34 16.504 16.940 -6.834 1.00 0.00 O ATOM 533 CB LYS A 34 16.160 19.607 -4.921 1.00 0.00 C ATOM 534 CG LYS A 34 15.285 18.594 -4.202 1.00 0.00 C ATOM 535 CD LYS A 34 14.238 19.272 -3.336 1.00 0.00 C ATOM 536 CE LYS A 34 13.395 18.247 -2.602 1.00 0.00 C ATOM 537 NZ LYS A 34 12.338 18.879 -1.775 1.00 0.00 N ATOM 0 H LYS A 34 17.826 20.960 -6.122 1.00 0.00 H new ATOM 0 HA LYS A 34 17.849 18.302 -5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.632 20.255 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.529 20.241 -5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.793 17.953 -4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.908 17.949 -3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.726 19.930 -2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.597 19.898 -3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.934 17.573 -3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.038 17.640 -1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.787 18.141 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.777 19.502 -1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.708 19.438 -2.385 1.00 0.00 H new ATOM 551 N ALA A 35 16.204 18.867 -7.981 1.00 0.00 N ATOM 552 CA ALA A 35 15.609 18.223 -9.147 1.00 0.00 C ATOM 553 C ALA A 35 16.564 17.202 -9.725 1.00 0.00 C ATOM 554 O ALA A 35 16.199 16.044 -9.942 1.00 0.00 O ATOM 555 CB ALA A 35 15.269 19.261 -10.203 1.00 0.00 C ATOM 0 H ALA A 35 16.273 19.882 -8.052 1.00 0.00 H new ATOM 0 HA ALA A 35 14.694 17.719 -8.835 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.826 18.768 -11.068 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.560 19.980 -9.792 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.177 19.781 -10.508 1.00 0.00 H new ATOM 561 N TYR A 36 17.804 17.625 -9.932 1.00 0.00 N ATOM 562 CA TYR A 36 18.829 16.761 -10.479 1.00 0.00 C ATOM 563 C TYR A 36 19.041 15.544 -9.598 1.00 0.00 C ATOM 564 O TYR A 36 19.125 14.434 -10.095 1.00 0.00 O ATOM 565 CB TYR A 36 20.142 17.529 -10.661 1.00 0.00 C ATOM 566 CG TYR A 36 21.327 16.668 -11.064 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.522 16.287 -12.384 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.252 16.244 -10.117 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.604 15.509 -12.752 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.336 15.467 -10.476 1.00 0.00 C ATOM 571 CZ TYR A 36 23.507 15.102 -11.793 1.00 0.00 C ATOM 572 OH TYR A 36 24.584 14.327 -12.155 1.00 0.00 O ATOM 0 H TYR A 36 18.122 18.572 -9.725 1.00 0.00 H new ATOM 0 HA TYR A 36 18.493 16.416 -11.457 1.00 0.00 H new ATOM 0 HB2 TYR A 36 19.995 18.299 -11.418 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.381 18.040 -9.728 1.00 0.00 H new ATOM 0 HD1 TYR A 36 20.816 16.604 -13.137 1.00 0.00 H new ATOM 0 HD2 TYR A 36 22.121 16.527 -9.083 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.741 15.222 -13.784 1.00 0.00 H new ATOM 0 HE2 TYR A 36 24.046 15.147 -9.728 1.00 0.00 H new ATOM 0 HH TYR A 36 25.124 14.127 -11.362 1.00 0.00 H new ATOM 582 N ARG A 37 19.116 15.758 -8.292 1.00 0.00 N ATOM 583 CA ARG A 37 19.316 14.657 -7.361 1.00 0.00 C ATOM 584 C ARG A 37 18.166 13.654 -7.423 1.00 0.00 C ATOM 585 O ARG A 37 18.394 12.448 -7.428 1.00 0.00 O ATOM 586 CB ARG A 37 19.504 15.168 -5.930 1.00 0.00 C ATOM 587 CG ARG A 37 19.804 14.062 -4.920 1.00 0.00 C ATOM 588 CD ARG A 37 20.041 14.629 -3.533 1.00 0.00 C ATOM 589 NE ARG A 37 18.856 15.295 -2.992 1.00 0.00 N ATOM 590 CZ ARG A 37 18.902 16.352 -2.176 1.00 0.00 C ATOM 591 NH1 ARG A 37 20.078 16.858 -1.806 1.00 0.00 N ATOM 592 NH2 ARG A 37 17.777 16.898 -1.732 1.00 0.00 N ATOM 0 H ARG A 37 19.042 16.677 -7.856 1.00 0.00 H new ATOM 0 HA ARG A 37 20.228 14.142 -7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 37 20.319 15.892 -5.916 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.602 15.696 -5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.972 13.359 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 37 20.683 13.502 -5.241 1.00 0.00 H new ATOM 0 HD2 ARG A 37 20.341 13.825 -2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 37 20.868 15.338 -3.570 1.00 0.00 H new ATOM 0 HE ARG A 37 17.940 14.931 -3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.943 16.438 -2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.113 17.665 -1.183 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.876 16.511 -2.014 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.813 17.705 -1.109 1.00 0.00 H new ATOM 606 N LYS A 38 16.934 14.156 -7.489 1.00 0.00 N ATOM 607 CA LYS A 38 15.764 13.287 -7.533 1.00 0.00 C ATOM 608 C LYS A 38 15.792 12.424 -8.802 1.00 0.00 C ATOM 609 O LYS A 38 15.587 11.193 -8.757 1.00 0.00 O ATOM 610 CB LYS A 38 14.479 14.134 -7.480 1.00 0.00 C ATOM 611 CG LYS A 38 13.197 13.315 -7.353 1.00 0.00 C ATOM 612 CD LYS A 38 11.978 14.218 -7.189 1.00 0.00 C ATOM 613 CE LYS A 38 10.697 13.413 -6.984 1.00 0.00 C ATOM 614 NZ LYS A 38 10.329 12.610 -8.179 1.00 0.00 N ATOM 0 H LYS A 38 16.723 15.154 -7.513 1.00 0.00 H new ATOM 0 HA LYS A 38 15.780 12.624 -6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.544 14.821 -6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.421 14.743 -8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.073 12.690 -8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.274 12.645 -6.497 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.130 14.882 -6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.873 14.850 -8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.823 12.749 -6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.880 14.093 -6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.418 12.137 -8.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.248 13.235 -9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.063 11.895 -8.356 1.00 0.00 H new ATOM 628 N LEU A 39 16.074 13.070 -9.923 1.00 0.00 N ATOM 629 CA LEU A 39 16.153 12.393 -11.207 1.00 0.00 C ATOM 630 C LEU A 39 17.300 11.424 -11.216 1.00 0.00 C ATOM 631 O LEU A 39 17.187 10.327 -11.723 1.00 0.00 O ATOM 632 CB LEU A 39 16.349 13.396 -12.303 1.00 0.00 C ATOM 633 CG LEU A 39 15.370 14.528 -12.310 1.00 0.00 C ATOM 634 CD1 LEU A 39 15.712 15.516 -13.394 1.00 0.00 C ATOM 635 CD2 LEU A 39 13.939 14.023 -12.456 1.00 0.00 C ATOM 0 H LEU A 39 16.254 14.073 -9.968 1.00 0.00 H new ATOM 0 HA LEU A 39 15.222 11.850 -11.369 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.355 13.807 -12.223 1.00 0.00 H new ATOM 0 HB3 LEU A 39 16.291 12.880 -13.261 1.00 0.00 H new ATOM 0 HG LEU A 39 15.438 15.039 -11.350 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.989 16.332 -13.384 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.712 15.914 -13.221 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.683 15.018 -14.363 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.253 14.870 -12.458 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.841 13.474 -13.393 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.699 13.363 -11.622 1.00 0.00 H new ATOM 647 N ALA A 40 18.405 11.849 -10.645 1.00 0.00 N ATOM 648 CA ALA A 40 19.608 11.031 -10.578 1.00 0.00 C ATOM 649 C ALA A 40 19.361 9.735 -9.835 1.00 0.00 C ATOM 650 O ALA A 40 19.919 8.710 -10.172 1.00 0.00 O ATOM 651 CB ALA A 40 20.759 11.800 -9.944 1.00 0.00 C ATOM 0 H ALA A 40 18.501 12.768 -10.213 1.00 0.00 H new ATOM 0 HA ALA A 40 19.885 10.780 -11.602 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.644 11.165 -9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 40 20.974 12.688 -10.538 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.484 12.098 -8.932 1.00 0.00 H new ATOM 657 N LEU A 41 18.539 9.795 -8.824 1.00 0.00 N ATOM 658 CA LEU A 41 18.209 8.627 -8.053 1.00 0.00 C ATOM 659 C LEU A 41 17.453 7.601 -8.910 1.00 0.00 C ATOM 660 O LEU A 41 17.724 6.402 -8.843 1.00 0.00 O ATOM 661 CB LEU A 41 17.363 9.036 -6.852 1.00 0.00 C ATOM 662 CG LEU A 41 18.050 9.945 -5.826 1.00 0.00 C ATOM 663 CD1 LEU A 41 17.067 10.370 -4.755 1.00 0.00 C ATOM 664 CD2 LEU A 41 19.254 9.256 -5.200 1.00 0.00 C ATOM 0 H LEU A 41 18.080 10.651 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 41 19.132 8.161 -7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.470 9.543 -7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 41 17.030 8.132 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 41 18.405 10.834 -6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 41 17.570 11.015 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 41 16.241 10.914 -5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.681 9.488 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.721 9.925 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.931 8.345 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 41 19.974 9.004 -5.978 1.00 0.00 H new ATOM 676 N LYS A 42 16.501 8.085 -9.709 1.00 0.00 N ATOM 677 CA LYS A 42 15.698 7.230 -10.569 1.00 0.00 C ATOM 678 C LYS A 42 16.386 6.835 -11.882 1.00 0.00 C ATOM 679 O LYS A 42 16.422 5.660 -12.245 1.00 0.00 O ATOM 680 CB LYS A 42 14.383 7.903 -10.873 1.00 0.00 C ATOM 681 CG LYS A 42 13.402 7.868 -9.728 1.00 0.00 C ATOM 682 CD LYS A 42 12.977 6.438 -9.412 1.00 0.00 C ATOM 683 CE LYS A 42 11.968 6.390 -8.277 1.00 0.00 C ATOM 684 NZ LYS A 42 11.573 4.996 -7.948 1.00 0.00 N ATOM 0 H LYS A 42 16.270 9.076 -9.775 1.00 0.00 H new ATOM 0 HA LYS A 42 15.545 6.305 -10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.572 8.941 -11.146 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.932 7.422 -11.741 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.853 8.320 -8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.525 8.464 -9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.545 5.981 -10.303 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.854 5.848 -9.145 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.393 6.866 -7.393 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.083 6.963 -8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.884 5.005 -7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.145 4.550 -8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.414 4.456 -7.660 1.00 0.00 H new ATOM 698 N TYR A 43 16.935 7.811 -12.571 1.00 0.00 N ATOM 699 CA TYR A 43 17.495 7.609 -13.918 1.00 0.00 C ATOM 700 C TYR A 43 19.014 7.441 -13.878 1.00 0.00 C ATOM 701 O TYR A 43 19.682 7.631 -14.896 1.00 0.00 O ATOM 702 CB TYR A 43 17.141 8.803 -14.838 1.00 0.00 C ATOM 703 CG TYR A 43 15.654 9.130 -14.925 1.00 0.00 C ATOM 704 CD1 TYR A 43 15.034 9.914 -13.953 1.00 0.00 C ATOM 705 CD2 TYR A 43 14.880 8.674 -15.983 1.00 0.00 C ATOM 706 CE1 TYR A 43 13.690 10.225 -14.034 1.00 0.00 C ATOM 707 CE2 TYR A 43 13.534 8.983 -16.071 1.00 0.00 C ATOM 708 CZ TYR A 43 12.945 9.757 -15.094 1.00 0.00 C ATOM 709 OH TYR A 43 11.604 10.067 -15.179 1.00 0.00 O ATOM 0 H TYR A 43 17.013 8.768 -12.228 1.00 0.00 H new ATOM 0 HA TYR A 43 17.054 6.695 -14.315 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.672 9.686 -14.482 1.00 0.00 H new ATOM 0 HB3 TYR A 43 17.511 8.591 -15.841 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.615 10.285 -13.121 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.336 8.067 -16.751 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.226 10.832 -13.270 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.947 8.619 -16.902 1.00 0.00 H new ATOM 0 HH TYR A 43 11.225 9.661 -15.986 1.00 0.00 H new ATOM 719 N HIS A 44 19.551 7.096 -12.706 1.00 0.00 N ATOM 720 CA HIS A 44 21.005 6.911 -12.526 1.00 0.00 C ATOM 721 C HIS A 44 21.570 5.993 -13.611 1.00 0.00 C ATOM 722 O HIS A 44 21.249 4.815 -13.645 1.00 0.00 O ATOM 723 CB HIS A 44 21.297 6.310 -11.147 1.00 0.00 C ATOM 724 CG HIS A 44 22.707 6.493 -10.686 1.00 0.00 C ATOM 725 ND1 HIS A 44 23.266 7.731 -10.456 1.00 0.00 N ATOM 726 CD2 HIS A 44 23.675 5.595 -10.404 1.00 0.00 C ATOM 727 CE1 HIS A 44 24.510 7.585 -10.053 1.00 0.00 C ATOM 728 NE2 HIS A 44 24.786 6.298 -10.011 1.00 0.00 N ATOM 0 H HIS A 44 19.004 6.937 -11.860 1.00 0.00 H new ATOM 0 HA HIS A 44 21.483 7.887 -12.603 1.00 0.00 H new ATOM 0 HB2 HIS A 44 20.626 6.762 -10.416 1.00 0.00 H new ATOM 0 HB3 HIS A 44 21.070 5.244 -11.172 1.00 0.00 H new ATOM 0 HD2 HIS A 44 23.590 4.521 -10.475 1.00 0.00 H new ATOM 0 HE1 HIS A 44 25.190 8.385 -9.800 1.00 0.00 H new ATOM 0 HE2 HIS A 44 25.679 5.891 -9.732 1.00 0.00 H new ATOM 736 N PRO A 45 22.444 6.517 -14.487 1.00 0.00 N ATOM 737 CA PRO A 45 22.998 5.742 -15.608 1.00 0.00 C ATOM 738 C PRO A 45 23.870 4.574 -15.149 1.00 0.00 C ATOM 739 O PRO A 45 24.044 3.590 -15.876 1.00 0.00 O ATOM 740 CB PRO A 45 23.835 6.763 -16.372 1.00 0.00 C ATOM 741 CG PRO A 45 24.138 7.823 -15.383 1.00 0.00 C ATOM 742 CD PRO A 45 22.954 7.894 -14.467 1.00 0.00 C ATOM 0 HA PRO A 45 22.209 5.283 -16.204 1.00 0.00 H new ATOM 0 HB2 PRO A 45 24.748 6.313 -16.762 1.00 0.00 H new ATOM 0 HB3 PRO A 45 23.288 7.163 -17.225 1.00 0.00 H new ATOM 0 HG2 PRO A 45 25.046 7.588 -14.827 1.00 0.00 H new ATOM 0 HG3 PRO A 45 24.305 8.780 -15.877 1.00 0.00 H new ATOM 0 HD2 PRO A 45 23.238 8.205 -13.462 1.00 0.00 H new ATOM 0 HD3 PRO A 45 22.210 8.606 -14.823 1.00 0.00 H new ATOM 750 N ASP A 46 24.414 4.685 -13.949 1.00 0.00 N ATOM 751 CA ASP A 46 25.253 3.634 -13.384 1.00 0.00 C ATOM 752 C ASP A 46 24.389 2.529 -12.797 1.00 0.00 C ATOM 753 O ASP A 46 24.866 1.423 -12.540 1.00 0.00 O ATOM 754 CB ASP A 46 26.166 4.192 -12.292 1.00 0.00 C ATOM 755 CG ASP A 46 26.984 5.368 -12.758 1.00 0.00 C ATOM 756 OD1 ASP A 46 27.982 5.161 -13.477 1.00 0.00 O ATOM 757 OD2 ASP A 46 26.622 6.508 -12.412 1.00 0.00 O ATOM 0 H ASP A 46 24.291 5.495 -13.342 1.00 0.00 H new ATOM 0 HA ASP A 46 25.869 3.230 -14.188 1.00 0.00 H new ATOM 0 HB2 ASP A 46 25.560 4.493 -11.437 1.00 0.00 H new ATOM 0 HB3 ASP A 46 26.835 3.404 -11.947 1.00 0.00 H new ATOM 762 N LYS A 47 23.112 2.831 -12.592 1.00 0.00 N ATOM 763 CA LYS A 47 22.182 1.882 -11.991 1.00 0.00 C ATOM 764 C LYS A 47 21.238 1.348 -13.056 1.00 0.00 C ATOM 765 O LYS A 47 20.967 0.149 -13.121 1.00 0.00 O ATOM 766 CB LYS A 47 21.369 2.560 -10.881 1.00 0.00 C ATOM 767 CG LYS A 47 20.523 1.601 -10.069 1.00 0.00 C ATOM 768 CD LYS A 47 19.742 2.325 -8.982 1.00 0.00 C ATOM 769 CE LYS A 47 18.916 1.352 -8.162 1.00 0.00 C ATOM 770 NZ LYS A 47 18.116 2.035 -7.118 1.00 0.00 N ATOM 0 H LYS A 47 22.696 3.730 -12.834 1.00 0.00 H new ATOM 0 HA LYS A 47 22.752 1.059 -11.559 1.00 0.00 H new ATOM 0 HB2 LYS A 47 22.052 3.083 -10.212 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.720 3.313 -11.327 1.00 0.00 H new ATOM 0 HG2 LYS A 47 19.830 1.078 -10.728 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.163 0.845 -9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 47 20.432 2.861 -8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.088 3.070 -9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.250 0.798 -8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 47 19.577 0.624 -7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.569 1.330 -6.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.752 2.543 -6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.466 2.711 -7.566 1.00 0.00 H new ATOM 784 N ASN A 48 20.750 2.250 -13.887 1.00 0.00 N ATOM 785 CA ASN A 48 19.876 1.911 -14.983 1.00 0.00 C ATOM 786 C ASN A 48 20.419 2.486 -16.270 1.00 0.00 C ATOM 787 O ASN A 48 20.181 3.647 -16.597 1.00 0.00 O ATOM 788 CB ASN A 48 18.466 2.430 -14.756 1.00 0.00 C ATOM 789 CG ASN A 48 17.717 1.680 -13.678 1.00 0.00 C ATOM 790 OD1 ASN A 48 17.803 2.005 -12.495 1.00 0.00 O ATOM 791 ND2 ASN A 48 16.964 0.677 -14.081 1.00 0.00 N ATOM 0 H ASN A 48 20.954 3.247 -13.815 1.00 0.00 H new ATOM 0 HA ASN A 48 19.833 0.824 -15.048 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.514 3.485 -14.488 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.907 2.364 -15.690 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.426 0.139 -13.402 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.919 0.439 -15.072 1.00 0.00 H new ATOM 798 N PRO A 49 21.177 1.688 -16.998 1.00 0.00 N ATOM 799 CA PRO A 49 21.748 2.074 -18.264 1.00 0.00 C ATOM 800 C PRO A 49 20.675 2.351 -19.313 1.00 0.00 C ATOM 801 O PRO A 49 20.914 3.054 -20.297 1.00 0.00 O ATOM 802 CB PRO A 49 22.576 0.859 -18.659 1.00 0.00 C ATOM 803 CG PRO A 49 21.995 -0.244 -17.903 1.00 0.00 C ATOM 804 CD PRO A 49 21.552 0.344 -16.632 1.00 0.00 C ATOM 0 HA PRO A 49 22.327 2.995 -18.193 1.00 0.00 H new ATOM 0 HB2 PRO A 49 22.523 0.675 -19.732 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.628 0.999 -18.411 1.00 0.00 H new ATOM 0 HG2 PRO A 49 21.159 -0.692 -18.441 1.00 0.00 H new ATOM 0 HG3 PRO A 49 22.727 -1.034 -17.736 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.713 -0.205 -16.206 1.00 0.00 H new ATOM 0 HD3 PRO A 49 22.348 0.338 -15.887 1.00 0.00 H new ATOM 812 N ASN A 50 19.486 1.804 -19.082 1.00 0.00 N ATOM 813 CA ASN A 50 18.372 1.990 -19.995 1.00 0.00 C ATOM 814 C ASN A 50 17.750 3.378 -19.837 1.00 0.00 C ATOM 815 O ASN A 50 17.217 3.936 -20.794 1.00 0.00 O ATOM 816 CB ASN A 50 17.299 0.894 -19.807 1.00 0.00 C ATOM 817 CG ASN A 50 16.660 0.886 -18.422 1.00 0.00 C ATOM 818 OD1 ASN A 50 17.298 1.206 -17.416 1.00 0.00 O ATOM 819 ND2 ASN A 50 15.395 0.516 -18.370 1.00 0.00 N ATOM 0 H ASN A 50 19.272 1.228 -18.268 1.00 0.00 H new ATOM 0 HA ASN A 50 18.768 1.907 -21.007 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.519 1.031 -20.556 1.00 0.00 H new ATOM 0 HB3 ASN A 50 17.752 -0.080 -19.993 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.909 0.487 -17.474 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.903 0.259 -19.226 1.00 0.00 H new ATOM 826 N GLU A 51 17.832 3.941 -18.636 1.00 0.00 N ATOM 827 CA GLU A 51 17.270 5.271 -18.397 1.00 0.00 C ATOM 828 C GLU A 51 18.334 6.370 -18.531 1.00 0.00 C ATOM 829 O GLU A 51 18.013 7.562 -18.516 1.00 0.00 O ATOM 830 CB GLU A 51 16.585 5.346 -17.031 1.00 0.00 C ATOM 831 CG GLU A 51 15.376 4.428 -16.901 1.00 0.00 C ATOM 832 CD GLU A 51 14.294 4.721 -17.927 1.00 0.00 C ATOM 833 OE1 GLU A 51 13.778 5.857 -17.958 1.00 0.00 O ATOM 834 OE2 GLU A 51 13.948 3.811 -18.704 1.00 0.00 O ATOM 0 H GLU A 51 18.273 3.509 -17.824 1.00 0.00 H new ATOM 0 HA GLU A 51 16.517 5.443 -19.166 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.309 5.091 -16.257 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.271 6.374 -16.848 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.700 3.393 -17.008 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.956 4.529 -15.900 1.00 0.00 H new ATOM 841 N GLY A 52 19.599 5.966 -18.698 1.00 0.00 N ATOM 842 CA GLY A 52 20.694 6.918 -18.829 1.00 0.00 C ATOM 843 C GLY A 52 20.583 7.784 -20.074 1.00 0.00 C ATOM 844 O GLY A 52 21.159 8.875 -20.140 1.00 0.00 O ATOM 0 H GLY A 52 19.883 4.987 -18.745 1.00 0.00 H new ATOM 0 HA2 GLY A 52 20.718 7.559 -17.948 1.00 0.00 H new ATOM 0 HA3 GLY A 52 21.639 6.375 -18.854 1.00 0.00 H new ATOM 848 N GLU A 53 19.834 7.300 -21.057 1.00 0.00 N ATOM 849 CA GLU A 53 19.649 8.032 -22.307 1.00 0.00 C ATOM 850 C GLU A 53 18.936 9.356 -22.034 1.00 0.00 C ATOM 851 O GLU A 53 19.248 10.387 -22.625 1.00 0.00 O ATOM 852 CB GLU A 53 18.852 7.190 -23.324 1.00 0.00 C ATOM 853 CG GLU A 53 19.576 5.932 -23.816 1.00 0.00 C ATOM 854 CD GLU A 53 18.811 5.207 -24.904 1.00 0.00 C ATOM 855 OE1 GLU A 53 18.745 5.734 -26.028 1.00 0.00 O ATOM 856 OE2 GLU A 53 18.292 4.097 -24.648 1.00 0.00 O ATOM 0 H GLU A 53 19.345 6.406 -21.015 1.00 0.00 H new ATOM 0 HA GLU A 53 20.629 8.239 -22.736 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.906 6.895 -22.870 1.00 0.00 H new ATOM 0 HB3 GLU A 53 18.611 7.815 -24.184 1.00 0.00 H new ATOM 0 HG2 GLU A 53 20.561 6.208 -24.192 1.00 0.00 H new ATOM 0 HG3 GLU A 53 19.734 5.256 -22.976 1.00 0.00 H new ATOM 863 N LYS A 54 17.987 9.305 -21.120 1.00 0.00 N ATOM 864 CA LYS A 54 17.233 10.458 -20.690 1.00 0.00 C ATOM 865 C LYS A 54 18.128 11.384 -19.858 1.00 0.00 C ATOM 866 O LYS A 54 18.005 12.619 -19.883 1.00 0.00 O ATOM 867 CB LYS A 54 16.044 9.976 -19.887 1.00 0.00 C ATOM 868 CG LYS A 54 14.987 9.289 -20.741 1.00 0.00 C ATOM 869 CD LYS A 54 13.959 8.630 -19.884 1.00 0.00 C ATOM 870 CE LYS A 54 13.012 7.779 -20.712 1.00 0.00 C ATOM 871 NZ LYS A 54 12.164 6.916 -19.859 1.00 0.00 N ATOM 0 H LYS A 54 17.716 8.442 -20.648 1.00 0.00 H new ATOM 0 HA LYS A 54 16.878 11.027 -21.549 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.388 9.284 -19.119 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.592 10.824 -19.373 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.509 10.020 -21.393 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.459 8.547 -21.385 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.451 8.008 -19.136 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.392 9.389 -19.344 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.379 8.425 -21.319 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.587 7.159 -21.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.655 6.232 -20.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.762 6.405 -19.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.478 7.504 -19.343 1.00 0.00 H new ATOM 885 N PHE A 55 19.040 10.759 -19.132 1.00 0.00 N ATOM 886 CA PHE A 55 19.950 11.450 -18.231 1.00 0.00 C ATOM 887 C PHE A 55 20.935 12.334 -18.998 1.00 0.00 C ATOM 888 O PHE A 55 21.503 13.274 -18.431 1.00 0.00 O ATOM 889 CB PHE A 55 20.702 10.430 -17.355 1.00 0.00 C ATOM 890 CG PHE A 55 21.423 11.027 -16.174 1.00 0.00 C ATOM 891 CD1 PHE A 55 20.731 11.355 -15.020 1.00 0.00 C ATOM 892 CD2 PHE A 55 22.791 11.255 -16.217 1.00 0.00 C ATOM 893 CE1 PHE A 55 21.389 11.897 -13.931 1.00 0.00 C ATOM 894 CE2 PHE A 55 23.453 11.798 -15.130 1.00 0.00 C ATOM 895 CZ PHE A 55 22.749 12.120 -13.988 1.00 0.00 C ATOM 0 H PHE A 55 19.171 9.748 -19.151 1.00 0.00 H new ATOM 0 HA PHE A 55 19.359 12.102 -17.587 1.00 0.00 H new ATOM 0 HB2 PHE A 55 19.990 9.688 -16.992 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.425 9.901 -17.976 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.666 11.186 -14.970 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.346 11.006 -17.109 1.00 0.00 H new ATOM 0 HE1 PHE A 55 20.838 12.146 -13.036 1.00 0.00 H new ATOM 0 HE2 PHE A 55 24.518 11.969 -15.175 1.00 0.00 H new ATOM 0 HZ PHE A 55 23.263 12.546 -13.139 1.00 0.00 H new ATOM 905 N LYS A 56 21.140 12.035 -20.277 1.00 0.00 N ATOM 906 CA LYS A 56 22.023 12.855 -21.111 1.00 0.00 C ATOM 907 C LYS A 56 21.484 14.286 -21.148 1.00 0.00 C ATOM 908 O LYS A 56 22.234 15.254 -20.974 1.00 0.00 O ATOM 909 CB LYS A 56 22.082 12.305 -22.540 1.00 0.00 C ATOM 910 CG LYS A 56 22.675 10.911 -22.648 1.00 0.00 C ATOM 911 CD LYS A 56 22.733 10.453 -24.098 1.00 0.00 C ATOM 912 CE LYS A 56 23.301 9.051 -24.209 1.00 0.00 C ATOM 913 NZ LYS A 56 23.418 8.610 -25.623 1.00 0.00 N ATOM 0 H LYS A 56 20.714 11.242 -20.757 1.00 0.00 H new ATOM 0 HA LYS A 56 23.027 12.836 -20.686 1.00 0.00 H new ATOM 0 HB2 LYS A 56 21.074 12.291 -22.954 1.00 0.00 H new ATOM 0 HB3 LYS A 56 22.670 12.986 -23.155 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.678 10.905 -22.221 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.076 10.211 -22.066 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.733 10.478 -24.530 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.347 11.144 -24.676 1.00 0.00 H new ATOM 0 HE2 LYS A 56 24.283 9.019 -23.736 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.662 8.356 -23.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.810 7.647 -25.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.478 8.616 -26.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.048 9.258 -26.138 1.00 0.00 H new ATOM 927 N GLN A 57 20.169 14.395 -21.332 1.00 0.00 N ATOM 928 CA GLN A 57 19.479 15.653 -21.346 1.00 0.00 C ATOM 929 C GLN A 57 19.614 16.344 -20.016 1.00 0.00 C ATOM 930 O GLN A 57 19.882 17.550 -19.944 1.00 0.00 O ATOM 931 CB GLN A 57 18.016 15.389 -21.602 1.00 0.00 C ATOM 932 CG GLN A 57 17.725 14.889 -22.987 1.00 0.00 C ATOM 933 CD GLN A 57 16.258 14.580 -23.219 1.00 0.00 C ATOM 934 OE1 GLN A 57 15.380 15.123 -22.553 1.00 0.00 O ATOM 935 NE2 GLN A 57 15.989 13.713 -24.178 1.00 0.00 N ATOM 0 H GLN A 57 19.558 13.591 -21.476 1.00 0.00 H new ATOM 0 HA GLN A 57 19.907 16.288 -22.122 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.656 14.658 -20.878 1.00 0.00 H new ATOM 0 HB3 GLN A 57 17.455 16.308 -21.432 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.050 15.636 -23.711 1.00 0.00 H new ATOM 0 HG3 GLN A 57 18.312 13.989 -23.172 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.749 13.285 -24.707 1.00 0.00 H new ATOM 0 HE22 GLN A 57 15.021 13.471 -24.390 1.00 0.00 H new ATOM 944 N ILE A 58 19.448 15.563 -18.964 1.00 0.00 N ATOM 945 CA ILE A 58 19.489 16.080 -17.613 1.00 0.00 C ATOM 946 C ILE A 58 20.847 16.687 -17.306 1.00 0.00 C ATOM 947 O ILE A 58 20.936 17.786 -16.765 1.00 0.00 O ATOM 948 CB ILE A 58 19.197 14.955 -16.592 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.774 14.455 -16.746 1.00 0.00 C ATOM 950 CG2 ILE A 58 19.421 15.437 -15.182 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.449 13.234 -15.909 1.00 0.00 C ATOM 0 H ILE A 58 19.282 14.558 -19.024 1.00 0.00 H new ATOM 0 HA ILE A 58 18.725 16.853 -17.532 1.00 0.00 H new ATOM 0 HB ILE A 58 19.885 14.134 -16.791 1.00 0.00 H new ATOM 0 HG12 ILE A 58 17.088 15.258 -16.478 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.595 14.220 -17.795 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.209 14.628 -14.483 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.457 15.754 -15.066 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.759 16.278 -14.975 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.412 12.942 -16.078 1.00 0.00 H new ATOM 0 HD12 ILE A 58 18.108 12.413 -16.192 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.593 13.467 -14.854 1.00 0.00 H new ATOM 963 N SER A 59 21.892 15.987 -17.692 1.00 0.00 N ATOM 964 CA SER A 59 23.247 16.419 -17.420 1.00 0.00 C ATOM 965 C SER A 59 23.560 17.784 -18.064 1.00 0.00 C ATOM 966 O SER A 59 24.151 18.648 -17.425 1.00 0.00 O ATOM 967 CB SER A 59 24.240 15.363 -17.904 1.00 0.00 C ATOM 968 OG SER A 59 23.965 14.106 -17.307 1.00 0.00 O ATOM 0 H SER A 59 21.827 15.106 -18.201 1.00 0.00 H new ATOM 0 HA SER A 59 23.344 16.540 -16.341 1.00 0.00 H new ATOM 0 HB2 SER A 59 24.186 15.276 -18.989 1.00 0.00 H new ATOM 0 HB3 SER A 59 25.256 15.673 -17.660 1.00 0.00 H new ATOM 0 HG SER A 59 23.133 13.743 -17.677 1.00 0.00 H new ATOM 974 N GLN A 60 23.155 17.971 -19.317 1.00 0.00 N ATOM 975 CA GLN A 60 23.411 19.208 -20.022 1.00 0.00 C ATOM 976 C GLN A 60 22.625 20.367 -19.427 1.00 0.00 C ATOM 977 O GLN A 60 23.185 21.438 -19.137 1.00 0.00 O ATOM 978 CB GLN A 60 23.051 19.028 -21.471 1.00 0.00 C ATOM 979 CG GLN A 60 23.889 17.990 -22.186 1.00 0.00 C ATOM 980 CD GLN A 60 23.482 17.807 -23.636 1.00 0.00 C ATOM 981 OE1 GLN A 60 22.589 17.023 -23.947 1.00 0.00 O ATOM 982 NE2 GLN A 60 24.123 18.537 -24.531 1.00 0.00 N ATOM 0 H GLN A 60 22.646 17.274 -19.861 1.00 0.00 H new ATOM 0 HA GLN A 60 24.469 19.450 -19.925 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.001 18.745 -21.542 1.00 0.00 H new ATOM 0 HB3 GLN A 60 23.159 19.984 -21.984 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.938 18.282 -22.141 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.801 17.037 -21.665 1.00 0.00 H new ATOM 0 HE21 GLN A 60 24.859 19.177 -24.234 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.882 18.460 -25.519 1.00 0.00 H new ATOM 991 N ALA A 61 21.337 20.154 -19.241 1.00 0.00 N ATOM 992 CA ALA A 61 20.476 21.187 -18.686 1.00 0.00 C ATOM 993 C ALA A 61 20.923 21.541 -17.291 1.00 0.00 C ATOM 994 O ALA A 61 21.027 22.713 -16.953 1.00 0.00 O ATOM 995 CB ALA A 61 19.030 20.737 -18.692 1.00 0.00 C ATOM 0 H ALA A 61 20.862 19.279 -19.464 1.00 0.00 H new ATOM 0 HA ALA A 61 20.553 22.078 -19.309 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.402 21.524 -18.273 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.718 20.530 -19.716 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.928 19.833 -18.092 1.00 0.00 H new ATOM 1001 N TYR A 62 21.210 20.525 -16.485 1.00 0.00 N ATOM 1002 CA TYR A 62 21.694 20.750 -15.150 1.00 0.00 C ATOM 1003 C TYR A 62 23.019 21.493 -15.169 1.00 0.00 C ATOM 1004 O TYR A 62 23.281 22.303 -14.303 1.00 0.00 O ATOM 1005 CB TYR A 62 21.847 19.459 -14.365 1.00 0.00 C ATOM 1006 CG TYR A 62 22.203 19.719 -12.925 1.00 0.00 C ATOM 1007 CD1 TYR A 62 21.345 20.448 -12.113 1.00 0.00 C ATOM 1008 CD2 TYR A 62 23.392 19.257 -12.379 1.00 0.00 C ATOM 1009 CE1 TYR A 62 21.657 20.711 -10.799 1.00 0.00 C ATOM 1010 CE2 TYR A 62 23.712 19.514 -11.059 1.00 0.00 C ATOM 1011 CZ TYR A 62 22.840 20.242 -10.277 1.00 0.00 C ATOM 1012 OH TYR A 62 23.154 20.501 -8.965 1.00 0.00 O ATOM 0 H TYR A 62 21.112 19.543 -16.743 1.00 0.00 H new ATOM 0 HA TYR A 62 20.943 21.361 -14.649 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.917 18.892 -14.413 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.620 18.843 -14.825 1.00 0.00 H new ATOM 0 HD1 TYR A 62 20.415 20.816 -12.520 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.076 18.690 -12.993 1.00 0.00 H new ATOM 0 HE1 TYR A 62 20.978 21.281 -10.182 1.00 0.00 H new ATOM 0 HE2 TYR A 62 24.639 19.147 -10.643 1.00 0.00 H new ATOM 0 HH TYR A 62 24.022 20.100 -8.751 1.00 0.00 H new ATOM 1022 N GLU A 63 23.856 21.195 -16.160 1.00 0.00 N ATOM 1023 CA GLU A 63 25.166 21.833 -16.284 1.00 0.00 C ATOM 1024 C GLU A 63 25.033 23.351 -16.195 1.00 0.00 C ATOM 1025 O GLU A 63 25.773 24.012 -15.460 1.00 0.00 O ATOM 1026 CB GLU A 63 25.823 21.425 -17.601 1.00 0.00 C ATOM 1027 CG GLU A 63 27.223 21.964 -17.811 1.00 0.00 C ATOM 1028 CD GLU A 63 27.776 21.587 -19.168 1.00 0.00 C ATOM 1029 OE1 GLU A 63 27.471 22.293 -20.147 1.00 0.00 O ATOM 1030 OE2 GLU A 63 28.500 20.584 -19.268 1.00 0.00 O ATOM 0 H GLU A 63 23.650 20.514 -16.891 1.00 0.00 H new ATOM 0 HA GLU A 63 25.798 21.500 -15.461 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.857 20.337 -17.651 1.00 0.00 H new ATOM 0 HB3 GLU A 63 25.193 21.762 -18.424 1.00 0.00 H new ATOM 0 HG2 GLU A 63 27.213 23.049 -17.712 1.00 0.00 H new ATOM 0 HG3 GLU A 63 27.881 21.579 -17.032 1.00 0.00 H new ATOM 1037 N VAL A 64 24.108 23.891 -16.947 1.00 0.00 N ATOM 1038 CA VAL A 64 23.806 25.313 -16.907 1.00 0.00 C ATOM 1039 C VAL A 64 22.859 25.683 -15.724 1.00 0.00 C ATOM 1040 O VAL A 64 23.058 26.695 -15.072 1.00 0.00 O ATOM 1041 CB VAL A 64 23.252 25.777 -18.280 1.00 0.00 C ATOM 1042 CG1 VAL A 64 22.871 24.583 -19.133 1.00 0.00 C ATOM 1043 CG2 VAL A 64 22.082 26.699 -18.117 1.00 0.00 C ATOM 0 H VAL A 64 23.538 23.363 -17.608 1.00 0.00 H new ATOM 0 HA VAL A 64 24.733 25.854 -16.718 1.00 0.00 H new ATOM 0 HB VAL A 64 24.044 26.330 -18.786 1.00 0.00 H new ATOM 0 HG11 VAL A 64 22.485 24.929 -20.092 1.00 0.00 H new ATOM 0 HG12 VAL A 64 23.750 23.960 -19.299 1.00 0.00 H new ATOM 0 HG13 VAL A 64 22.104 24.001 -18.622 1.00 0.00 H new ATOM 0 HG21 VAL A 64 21.720 27.004 -19.099 1.00 0.00 H new ATOM 0 HG22 VAL A 64 21.285 26.184 -17.580 1.00 0.00 H new ATOM 0 HG23 VAL A 64 22.389 27.580 -17.554 1.00 0.00 H new ATOM 1053 N LEU A 65 21.861 24.834 -15.442 1.00 0.00 N ATOM 1054 CA LEU A 65 20.883 25.070 -14.344 1.00 0.00 C ATOM 1055 C LEU A 65 21.542 25.057 -12.963 1.00 0.00 C ATOM 1056 O LEU A 65 21.027 25.643 -12.022 1.00 0.00 O ATOM 1057 CB LEU A 65 19.705 24.073 -14.420 1.00 0.00 C ATOM 1058 CG LEU A 65 18.470 24.532 -15.255 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.871 25.090 -16.614 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.486 23.382 -15.436 1.00 0.00 C ATOM 0 H LEU A 65 21.700 23.968 -15.957 1.00 0.00 H new ATOM 0 HA LEU A 65 20.482 26.073 -14.487 1.00 0.00 H new ATOM 0 HB2 LEU A 65 20.074 23.137 -14.840 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.372 23.858 -13.405 1.00 0.00 H new ATOM 0 HG LEU A 65 17.989 25.334 -14.696 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.978 25.396 -17.159 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.525 25.951 -16.475 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.397 24.322 -17.182 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.632 23.723 -16.021 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.978 22.561 -15.957 1.00 0.00 H new ATOM 0 HD23 LEU A 65 17.144 23.039 -14.460 1.00 0.00 H new ATOM 1072 N SER A 66 22.677 24.394 -12.857 1.00 0.00 N ATOM 1073 CA SER A 66 23.419 24.322 -11.605 1.00 0.00 C ATOM 1074 C SER A 66 24.063 25.677 -11.279 1.00 0.00 C ATOM 1075 O SER A 66 24.598 25.879 -10.190 1.00 0.00 O ATOM 1076 CB SER A 66 24.492 23.227 -11.698 1.00 0.00 C ATOM 1077 OG SER A 66 25.114 22.984 -10.444 1.00 0.00 O ATOM 0 H SER A 66 23.113 23.891 -13.630 1.00 0.00 H new ATOM 0 HA SER A 66 22.727 24.073 -10.801 1.00 0.00 H new ATOM 0 HB2 SER A 66 24.039 22.305 -12.063 1.00 0.00 H new ATOM 0 HB3 SER A 66 25.248 23.521 -12.427 1.00 0.00 H new ATOM 0 HG SER A 66 25.251 23.834 -9.976 1.00 0.00 H new ATOM 1083 N ASP A 67 24.012 26.589 -12.235 1.00 0.00 N ATOM 1084 CA ASP A 67 24.561 27.917 -12.060 1.00 0.00 C ATOM 1085 C ASP A 67 23.617 28.957 -12.642 1.00 0.00 C ATOM 1086 O ASP A 67 23.424 29.025 -13.855 1.00 0.00 O ATOM 1087 CB ASP A 67 25.942 28.017 -12.709 1.00 0.00 C ATOM 1088 CG ASP A 67 26.562 29.384 -12.561 1.00 0.00 C ATOM 1089 OD1 ASP A 67 26.773 29.832 -11.413 1.00 0.00 O ATOM 1090 OD2 ASP A 67 26.846 30.019 -13.589 1.00 0.00 O ATOM 0 H ASP A 67 23.590 26.428 -13.150 1.00 0.00 H new ATOM 0 HA ASP A 67 24.673 28.110 -10.993 1.00 0.00 H new ATOM 0 HB2 ASP A 67 26.602 27.274 -12.263 1.00 0.00 H new ATOM 0 HB3 ASP A 67 25.859 27.774 -13.768 1.00 0.00 H new ATOM 1095 N ALA A 68 23.030 29.760 -11.772 1.00 0.00 N ATOM 1096 CA ALA A 68 22.070 30.788 -12.170 1.00 0.00 C ATOM 1097 C ALA A 68 22.634 31.715 -13.251 1.00 0.00 C ATOM 1098 O ALA A 68 21.882 32.281 -14.047 1.00 0.00 O ATOM 1099 CB ALA A 68 21.638 31.594 -10.952 1.00 0.00 C ATOM 0 H ALA A 68 23.202 29.722 -10.767 1.00 0.00 H new ATOM 0 HA ALA A 68 21.203 30.284 -12.598 1.00 0.00 H new ATOM 0 HB1 ALA A 68 20.923 32.358 -11.256 1.00 0.00 H new ATOM 0 HB2 ALA A 68 21.172 30.931 -10.223 1.00 0.00 H new ATOM 0 HB3 ALA A 68 22.509 32.071 -10.504 1.00 0.00 H new ATOM 1105 N LYS A 69 23.950 31.863 -13.268 1.00 0.00 N ATOM 1106 CA LYS A 69 24.615 32.724 -14.231 1.00 0.00 C ATOM 1107 C LYS A 69 24.545 32.116 -15.637 1.00 0.00 C ATOM 1108 O LYS A 69 24.149 32.790 -16.592 1.00 0.00 O ATOM 1109 CB LYS A 69 26.071 32.956 -13.802 1.00 0.00 C ATOM 1110 CG LYS A 69 26.842 33.949 -14.662 1.00 0.00 C ATOM 1111 CD LYS A 69 28.255 34.143 -14.125 1.00 0.00 C ATOM 1112 CE LYS A 69 29.049 35.145 -14.946 1.00 0.00 C ATOM 1113 NZ LYS A 69 30.424 35.336 -14.406 1.00 0.00 N ATOM 0 H LYS A 69 24.582 31.393 -12.620 1.00 0.00 H new ATOM 0 HA LYS A 69 24.104 33.686 -14.260 1.00 0.00 H new ATOM 0 HB2 LYS A 69 26.079 33.308 -12.770 1.00 0.00 H new ATOM 0 HB3 LYS A 69 26.596 32.001 -13.817 1.00 0.00 H new ATOM 0 HG2 LYS A 69 26.884 33.591 -15.691 1.00 0.00 H new ATOM 0 HG3 LYS A 69 26.320 34.905 -14.679 1.00 0.00 H new ATOM 0 HD2 LYS A 69 28.205 34.482 -13.090 1.00 0.00 H new ATOM 0 HD3 LYS A 69 28.775 33.185 -14.122 1.00 0.00 H new ATOM 0 HE2 LYS A 69 29.108 34.803 -15.979 1.00 0.00 H new ATOM 0 HE3 LYS A 69 28.526 36.102 -14.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 30.935 36.027 -14.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 30.367 35.687 -13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 30.931 34.428 -14.419 1.00 0.00 H new ATOM 1127 N LYS A 70 24.900 30.828 -15.760 1.00 0.00 N ATOM 1128 CA LYS A 70 24.853 30.148 -17.034 1.00 0.00 C ATOM 1129 C LYS A 70 23.426 30.034 -17.494 1.00 0.00 C ATOM 1130 O LYS A 70 23.118 30.218 -18.672 1.00 0.00 O ATOM 1131 CB LYS A 70 25.474 28.772 -16.906 1.00 0.00 C ATOM 1132 CG LYS A 70 26.956 28.813 -16.588 1.00 0.00 C ATOM 1133 CD LYS A 70 27.512 27.428 -16.342 1.00 0.00 C ATOM 1134 CE LYS A 70 27.446 26.577 -17.591 1.00 0.00 C ATOM 1135 NZ LYS A 70 27.997 25.222 -17.368 1.00 0.00 N ATOM 0 H LYS A 70 25.221 30.249 -14.984 1.00 0.00 H new ATOM 0 HA LYS A 70 25.418 30.720 -17.770 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.956 28.218 -16.123 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.324 28.225 -17.836 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.493 29.280 -17.414 1.00 0.00 H new ATOM 0 HG3 LYS A 70 27.123 29.434 -15.708 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.546 27.504 -16.006 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.951 26.946 -15.541 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.410 26.497 -17.921 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.999 27.066 -18.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 28.106 24.737 -18.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.924 25.296 -16.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.349 24.679 -16.763 1.00 0.00 H new ATOM 1149 N ARG A 71 22.555 29.746 -16.545 1.00 0.00 N ATOM 1150 CA ARG A 71 21.140 29.606 -16.804 1.00 0.00 C ATOM 1151 C ARG A 71 20.560 30.856 -17.422 1.00 0.00 C ATOM 1152 O ARG A 71 19.803 30.776 -18.370 1.00 0.00 O ATOM 1153 CB ARG A 71 20.390 29.302 -15.506 1.00 0.00 C ATOM 1154 CG ARG A 71 18.889 29.223 -15.691 1.00 0.00 C ATOM 1155 CD ARG A 71 18.165 29.033 -14.380 1.00 0.00 C ATOM 1156 NE ARG A 71 16.740 29.314 -14.526 1.00 0.00 N ATOM 1157 CZ ARG A 71 15.931 29.643 -13.519 1.00 0.00 C ATOM 1158 NH1 ARG A 71 16.363 29.593 -12.261 1.00 0.00 N ATOM 1159 NH2 ARG A 71 14.685 30.016 -13.772 1.00 0.00 N ATOM 0 H ARG A 71 22.814 29.602 -15.569 1.00 0.00 H new ATOM 0 HA ARG A 71 21.021 28.781 -17.507 1.00 0.00 H new ATOM 0 HB2 ARG A 71 20.750 28.357 -15.098 1.00 0.00 H new ATOM 0 HB3 ARG A 71 20.619 30.074 -14.772 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.535 30.135 -16.171 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.650 28.397 -16.360 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.304 28.011 -14.028 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.594 29.691 -13.624 1.00 0.00 H new ATOM 0 HE ARG A 71 16.336 29.255 -15.461 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.320 29.301 -12.062 1.00 0.00 H new ATOM 0 HH12 ARG A 71 15.737 29.847 -11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.348 30.050 -14.734 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.062 30.269 -13.005 1.00 0.00 H new ATOM 1173 N GLU A 72 20.943 31.997 -16.906 1.00 0.00 N ATOM 1174 CA GLU A 72 20.371 33.240 -17.314 1.00 0.00 C ATOM 1175 C GLU A 72 20.764 33.564 -18.741 1.00 0.00 C ATOM 1176 O GLU A 72 19.925 33.956 -19.563 1.00 0.00 O ATOM 1177 CB GLU A 72 20.833 34.328 -16.360 1.00 0.00 C ATOM 1178 CG GLU A 72 20.126 35.631 -16.546 1.00 0.00 C ATOM 1179 CD GLU A 72 20.537 36.652 -15.522 1.00 0.00 C ATOM 1180 OE1 GLU A 72 21.540 37.362 -15.753 1.00 0.00 O ATOM 1181 OE2 GLU A 72 19.869 36.744 -14.472 1.00 0.00 O ATOM 0 H GLU A 72 21.663 32.082 -16.189 1.00 0.00 H new ATOM 0 HA GLU A 72 19.284 33.173 -17.282 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.684 33.987 -15.335 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.904 34.484 -16.492 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.334 36.016 -17.544 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.050 35.470 -16.485 1.00 0.00 H new ATOM 1188 N LEU A 73 22.032 33.381 -19.041 1.00 0.00 N ATOM 1189 CA LEU A 73 22.529 33.667 -20.347 1.00 0.00 C ATOM 1190 C LEU A 73 21.947 32.687 -21.359 1.00 0.00 C ATOM 1191 O LEU A 73 21.515 33.080 -22.447 1.00 0.00 O ATOM 1192 CB LEU A 73 24.047 33.571 -20.336 1.00 0.00 C ATOM 1193 CG LEU A 73 24.750 34.339 -19.213 1.00 0.00 C ATOM 1194 CD1 LEU A 73 26.249 34.360 -19.428 1.00 0.00 C ATOM 1195 CD2 LEU A 73 24.191 35.745 -19.068 1.00 0.00 C ATOM 0 H LEU A 73 22.732 33.033 -18.386 1.00 0.00 H new ATOM 0 HA LEU A 73 22.231 34.675 -20.635 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.326 32.520 -20.263 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.423 33.935 -21.292 1.00 0.00 H new ATOM 0 HG LEU A 73 24.555 33.814 -18.278 1.00 0.00 H new ATOM 0 HD11 LEU A 73 26.725 34.911 -18.617 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.629 33.338 -19.444 1.00 0.00 H new ATOM 0 HD13 LEU A 73 26.474 34.845 -20.378 1.00 0.00 H new ATOM 0 HD21 LEU A 73 24.712 36.262 -18.262 1.00 0.00 H new ATOM 0 HD22 LEU A 73 24.332 36.291 -20.001 1.00 0.00 H new ATOM 0 HD23 LEU A 73 23.127 35.692 -18.837 1.00 0.00 H new ATOM 1207 N TYR A 74 21.922 31.415 -20.980 1.00 0.00 N ATOM 1208 CA TYR A 74 21.414 30.353 -21.838 1.00 0.00 C ATOM 1209 C TYR A 74 19.928 30.527 -22.105 1.00 0.00 C ATOM 1210 O TYR A 74 19.460 30.350 -23.227 1.00 0.00 O ATOM 1211 CB TYR A 74 21.675 28.989 -21.200 1.00 0.00 C ATOM 1212 CG TYR A 74 21.564 27.834 -22.171 1.00 0.00 C ATOM 1213 CD1 TYR A 74 22.363 27.782 -23.310 1.00 0.00 C ATOM 1214 CD2 TYR A 74 20.674 26.792 -21.952 1.00 0.00 C ATOM 1215 CE1 TYR A 74 22.277 26.732 -24.199 1.00 0.00 C ATOM 1216 CE2 TYR A 74 20.580 25.737 -22.838 1.00 0.00 C ATOM 1217 CZ TYR A 74 21.382 25.713 -23.960 1.00 0.00 C ATOM 1218 OH TYR A 74 21.289 24.663 -24.843 1.00 0.00 O ATOM 0 H TYR A 74 22.253 31.092 -20.071 1.00 0.00 H new ATOM 0 HA TYR A 74 21.940 30.409 -22.791 1.00 0.00 H new ATOM 0 HB2 TYR A 74 22.672 28.988 -20.760 1.00 0.00 H new ATOM 0 HB3 TYR A 74 20.967 28.837 -20.385 1.00 0.00 H new ATOM 0 HD1 TYR A 74 23.065 28.581 -23.501 1.00 0.00 H new ATOM 0 HD2 TYR A 74 20.045 26.806 -21.074 1.00 0.00 H new ATOM 0 HE1 TYR A 74 22.907 26.709 -25.076 1.00 0.00 H new ATOM 0 HE2 TYR A 74 19.882 24.934 -22.653 1.00 0.00 H new ATOM 0 HH TYR A 74 21.342 23.817 -24.352 1.00 0.00 H new ATOM 1228 N ASP A 75 19.206 30.885 -21.063 1.00 0.00 N ATOM 1229 CA ASP A 75 17.749 31.048 -21.117 1.00 0.00 C ATOM 1230 C ASP A 75 17.351 32.125 -22.112 1.00 0.00 C ATOM 1231 O ASP A 75 16.350 31.992 -22.816 1.00 0.00 O ATOM 1232 CB ASP A 75 17.209 31.411 -19.726 1.00 0.00 C ATOM 1233 CG ASP A 75 15.695 31.477 -19.673 1.00 0.00 C ATOM 1234 OD1 ASP A 75 15.129 32.564 -19.950 1.00 0.00 O ATOM 1235 OD2 ASP A 75 15.065 30.445 -19.345 1.00 0.00 O ATOM 0 H ASP A 75 19.607 31.075 -20.144 1.00 0.00 H new ATOM 0 HA ASP A 75 17.318 30.101 -21.443 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.560 30.674 -19.003 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.619 32.375 -19.424 1.00 0.00 H new ATOM 1240 N LYS A 76 18.140 33.183 -22.185 1.00 0.00 N ATOM 1241 CA LYS A 76 17.825 34.294 -23.075 1.00 0.00 C ATOM 1242 C LYS A 76 18.379 34.085 -24.474 1.00 0.00 C ATOM 1243 O LYS A 76 18.045 34.821 -25.400 1.00 0.00 O ATOM 1244 CB LYS A 76 18.301 35.617 -22.481 1.00 0.00 C ATOM 1245 CG LYS A 76 17.625 35.950 -21.168 1.00 0.00 C ATOM 1246 CD LYS A 76 16.127 36.120 -21.367 1.00 0.00 C ATOM 1247 CE LYS A 76 15.393 36.258 -20.041 1.00 0.00 C ATOM 1248 NZ LYS A 76 15.548 35.048 -19.190 1.00 0.00 N ATOM 0 H LYS A 76 18.997 33.299 -21.645 1.00 0.00 H new ATOM 0 HA LYS A 76 16.740 34.334 -23.171 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.379 35.574 -22.328 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.112 36.419 -23.195 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.814 35.157 -20.444 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.049 36.866 -20.756 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.939 37.002 -21.980 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.733 35.263 -21.913 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.772 37.129 -19.506 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.334 36.436 -20.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.763 34.999 -18.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.541 34.198 -19.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.450 35.100 -18.674 1.00 0.00 H new ATOM 1262 N GLY A 77 19.206 33.079 -24.629 1.00 0.00 N ATOM 1263 CA GLY A 77 19.765 32.783 -25.919 1.00 0.00 C ATOM 1264 C GLY A 77 21.149 33.355 -26.081 1.00 0.00 C ATOM 1265 O GLY A 77 21.413 34.441 -25.532 1.00 0.00 O ATOM 1266 OXT GLY A 77 21.994 32.711 -26.731 1.00 0.00 O ATOM 0 H GLY A 77 19.504 32.456 -23.879 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.801 31.703 -26.059 1.00 0.00 H new ATOM 0 HA3 GLY A 77 19.114 33.184 -26.696 1.00 0.00 H new