USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 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 73 MET CE :methyl -163:sc= -0.0164 (180deg=-0.527) USER MOD Set 1.2: A 91 SER OG : rot 180:sc=-0.00054 USER MOD Set 2.1: A 88 GLN : amide:sc= -0.335 K(o=-2,f=-2.9) USER MOD Set 2.2: A 105 ASN : amide:sc= -1.71 K(o=-2,f=-5.6!) USER MOD Set 3.1: A 61 MET CE :methyl -164:sc= -0.0639 (180deg=-0.529) USER MOD Set 3.2: A 66 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A 35 LYS NZ :NH3+ 151:sc= 1.09 (180deg=-0.00673) USER MOD Set 4.2: A 38 HIS : no HD1:sc= 0.847 K(o=1.9,f=-2.3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.89) USER MOD Single : A 46 MET CE :methyl 174:sc= 0 (180deg=-0.0306) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.558 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= -0.794 (180deg=-0.794) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0355 X(o=-0.036,f=0) USER MOD Single : A 59 TYR OH : rot -165:sc= 1.22 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.963 K(o=0.96,f=0) USER MOD Single : A 68 GLN : amide:sc= 0.982 K(o=0.98,f=-0.0016) USER MOD Single : A 69 GLN : amide:sc= -0.302 X(o=-0.3,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.717 K(o=0.72,f=-4.2!) USER MOD Single : A 72 HIS : no HD1:sc= 0.685 K(o=0.69,f=-3.3!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.27 USER MOD Single : A 89 SER OG : rot -103:sc= 0.338 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -171:sc= -1.77 (180deg=-1.81) USER MOD Single : A 104 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 27 11.599 6.372 4.380 1.00 0.00 N ATOM 69 CA VAL A 27 12.893 6.144 3.703 1.00 0.00 C ATOM 70 C VAL A 27 13.528 7.458 3.232 1.00 0.00 C ATOM 71 O VAL A 27 12.843 8.463 3.048 1.00 0.00 O ATOM 72 CB VAL A 27 12.740 5.154 2.527 1.00 0.00 C ATOM 73 CG1 VAL A 27 12.381 3.754 3.039 1.00 0.00 C ATOM 74 CG2 VAL A 27 11.684 5.595 1.501 1.00 0.00 C ATOM 0 HA VAL A 27 13.566 5.699 4.436 1.00 0.00 H new ATOM 0 HB VAL A 27 13.707 5.137 2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.278 3.073 2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 27 13.170 3.395 3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.440 3.797 3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.625 4.858 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.714 5.678 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.964 6.562 1.084 1.00 0.00 H new ATOM 84 N ARG A 28 14.853 7.473 3.059 1.00 0.00 N ATOM 85 CA ARG A 28 15.629 8.650 2.622 1.00 0.00 C ATOM 86 C ARG A 28 15.980 8.540 1.122 1.00 0.00 C ATOM 87 O ARG A 28 16.608 7.553 0.737 1.00 0.00 O ATOM 88 CB ARG A 28 16.879 8.754 3.513 1.00 0.00 C ATOM 89 CG ARG A 28 17.736 9.980 3.165 1.00 0.00 C ATOM 90 CD ARG A 28 18.459 10.505 4.410 1.00 0.00 C ATOM 91 NE ARG A 28 19.240 11.725 4.123 1.00 0.00 N ATOM 92 CZ ARG A 28 19.680 12.587 5.023 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.564 12.373 6.300 1.00 0.00 N ATOM 94 NH2 ARG A 28 20.233 13.710 4.669 1.00 0.00 N ATOM 0 H ARG A 28 15.434 6.651 3.221 1.00 0.00 H new ATOM 0 HA ARG A 28 15.043 9.563 2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.575 8.810 4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.478 7.850 3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.465 9.715 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.105 10.764 2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.729 10.717 5.191 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.123 9.732 4.797 1.00 0.00 H new ATOM 0 HE ARG A 28 19.459 11.919 3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.122 11.517 6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.915 13.061 6.966 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.334 13.939 3.680 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.566 14.361 5.380 1.00 0.00 H new ATOM 108 N PRO A 29 15.616 9.507 0.257 1.00 0.00 N ATOM 109 CA PRO A 29 16.092 9.561 -1.130 1.00 0.00 C ATOM 110 C PRO A 29 17.592 9.867 -1.243 1.00 0.00 C ATOM 111 O PRO A 29 18.216 10.373 -0.307 1.00 0.00 O ATOM 112 CB PRO A 29 15.226 10.627 -1.809 1.00 0.00 C ATOM 113 CG PRO A 29 14.822 11.557 -0.671 1.00 0.00 C ATOM 114 CD PRO A 29 14.694 10.606 0.514 1.00 0.00 C ATOM 0 HA PRO A 29 15.993 8.590 -1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.781 11.160 -2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.354 10.185 -2.291 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.572 12.327 -0.492 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.883 12.069 -0.881 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.942 11.112 1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.671 10.241 0.611 1.00 0.00 H new ATOM 122 N LYS A 30 18.168 9.574 -2.420 1.00 0.00 N ATOM 123 CA LYS A 30 19.566 9.875 -2.760 1.00 0.00 C ATOM 124 C LYS A 30 19.807 11.391 -2.711 1.00 0.00 C ATOM 125 O LYS A 30 18.896 12.168 -2.989 1.00 0.00 O ATOM 126 CB LYS A 30 19.816 9.262 -4.153 1.00 0.00 C ATOM 127 CG LYS A 30 21.268 9.145 -4.627 1.00 0.00 C ATOM 128 CD LYS A 30 21.843 7.720 -4.545 1.00 0.00 C ATOM 129 CE LYS A 30 21.958 7.198 -3.104 1.00 0.00 C ATOM 130 NZ LYS A 30 22.603 5.854 -3.060 1.00 0.00 N ATOM 0 H LYS A 30 17.664 9.112 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 30 20.270 9.446 -2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.378 8.264 -4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.271 9.858 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.331 9.492 -5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.889 9.811 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.209 7.045 -5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.829 7.705 -5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.538 7.901 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.966 7.142 -2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.665 5.531 -2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.035 5.178 -3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 23.559 5.914 -3.465 1.00 0.00 H new ATOM 144 N LEU A 31 21.022 11.836 -2.396 1.00 0.00 N ATOM 145 CA LEU A 31 21.294 13.262 -2.120 1.00 0.00 C ATOM 146 C LEU A 31 20.986 14.202 -3.309 1.00 0.00 C ATOM 147 O LEU A 31 20.323 15.216 -3.084 1.00 0.00 O ATOM 148 CB LEU A 31 22.718 13.448 -1.552 1.00 0.00 C ATOM 149 CG LEU A 31 22.987 12.755 -0.199 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.423 13.040 0.242 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.046 13.225 0.914 1.00 0.00 C ATOM 0 H LEU A 31 21.842 11.234 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 31 20.588 13.572 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.434 13.072 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 31 22.909 14.515 -1.439 1.00 0.00 H new ATOM 0 HG LEU A 31 22.817 11.690 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.614 12.551 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.116 12.657 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 31 24.564 14.115 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 31 22.286 12.701 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.166 14.298 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 31 21.015 13.011 0.633 1.00 0.00 H new ATOM 163 N PRO A 32 21.312 13.866 -4.577 1.00 0.00 N ATOM 164 CA PRO A 32 20.887 14.672 -5.728 1.00 0.00 C ATOM 165 C PRO A 32 19.363 14.700 -5.945 1.00 0.00 C ATOM 166 O PRO A 32 18.845 15.689 -6.453 1.00 0.00 O ATOM 167 CB PRO A 32 21.620 14.085 -6.939 1.00 0.00 C ATOM 168 CG PRO A 32 22.839 13.400 -6.329 1.00 0.00 C ATOM 169 CD PRO A 32 22.281 12.868 -5.013 1.00 0.00 C ATOM 0 HA PRO A 32 21.141 15.718 -5.560 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.993 13.377 -7.482 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.910 14.862 -7.646 1.00 0.00 H new ATOM 0 HG2 PRO A 32 23.217 12.599 -6.965 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.662 14.097 -6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.809 11.895 -5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.072 12.738 -4.274 1.00 0.00 H new ATOM 177 N LEU A 33 18.628 13.664 -5.512 1.00 0.00 N ATOM 178 CA LEU A 33 17.156 13.639 -5.515 1.00 0.00 C ATOM 179 C LEU A 33 16.611 14.571 -4.415 1.00 0.00 C ATOM 180 O LEU A 33 15.779 15.426 -4.690 1.00 0.00 O ATOM 181 CB LEU A 33 16.685 12.168 -5.395 1.00 0.00 C ATOM 182 CG LEU A 33 15.234 11.847 -5.820 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.959 10.360 -5.648 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.150 12.603 -5.054 1.00 0.00 C ATOM 0 H LEU A 33 19.044 12.808 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 33 16.752 14.026 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.355 11.550 -5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.808 11.859 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 33 15.177 12.168 -6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.934 10.142 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.649 9.788 -6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.096 10.083 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.169 12.308 -5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.222 12.366 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.285 13.675 -5.196 1.00 0.00 H new ATOM 196 N LEU A 34 17.156 14.514 -3.196 1.00 0.00 N ATOM 197 CA LEU A 34 16.831 15.438 -2.090 1.00 0.00 C ATOM 198 C LEU A 34 17.094 16.912 -2.464 1.00 0.00 C ATOM 199 O LEU A 34 16.321 17.799 -2.099 1.00 0.00 O ATOM 200 CB LEU A 34 17.610 14.938 -0.856 1.00 0.00 C ATOM 201 CG LEU A 34 17.367 15.646 0.495 1.00 0.00 C ATOM 202 CD1 LEU A 34 17.750 14.685 1.621 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.265 16.872 0.660 1.00 0.00 C ATOM 0 H LEU A 34 17.850 13.812 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 34 15.765 15.431 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.382 13.880 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.674 15.008 -1.083 1.00 0.00 H new ATOM 0 HG LEU A 34 16.320 15.946 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.585 15.168 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.137 13.786 1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.802 14.415 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.065 17.343 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.310 16.566 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.061 17.583 -0.141 1.00 0.00 H new ATOM 215 N LYS A 35 18.116 17.179 -3.287 1.00 0.00 N ATOM 216 CA LYS A 35 18.367 18.509 -3.881 1.00 0.00 C ATOM 217 C LYS A 35 17.241 18.995 -4.810 1.00 0.00 C ATOM 218 O LYS A 35 17.008 20.199 -4.869 1.00 0.00 O ATOM 219 CB LYS A 35 19.733 18.525 -4.601 1.00 0.00 C ATOM 220 CG LYS A 35 20.878 19.229 -3.850 1.00 0.00 C ATOM 221 CD LYS A 35 21.372 18.546 -2.560 1.00 0.00 C ATOM 222 CE LYS A 35 20.503 18.780 -1.313 1.00 0.00 C ATOM 223 NZ LYS A 35 20.588 20.188 -0.820 1.00 0.00 N ATOM 0 H LYS A 35 18.801 16.476 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 35 18.388 19.219 -3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.031 17.495 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.607 19.010 -5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.724 19.327 -4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.552 20.239 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.437 17.473 -2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.382 18.896 -2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.465 18.541 -1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.817 18.100 -0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.698 20.445 -0.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.375 20.273 -0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.751 20.828 -1.623 1.00 0.00 H new ATOM 237 N ILE A 36 16.485 18.103 -5.459 1.00 0.00 N ATOM 238 CA ILE A 36 15.274 18.464 -6.225 1.00 0.00 C ATOM 239 C ILE A 36 14.175 18.960 -5.280 1.00 0.00 C ATOM 240 O ILE A 36 13.583 20.009 -5.521 1.00 0.00 O ATOM 241 CB ILE A 36 14.753 17.283 -7.078 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.836 16.760 -8.042 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.519 17.721 -7.880 1.00 0.00 C ATOM 244 CD1 ILE A 36 15.476 15.426 -8.700 1.00 0.00 C ATOM 0 H ILE A 36 16.692 17.104 -5.471 1.00 0.00 H new ATOM 0 HA ILE A 36 15.549 19.266 -6.910 1.00 0.00 H new ATOM 0 HB ILE A 36 14.484 16.475 -6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.009 17.504 -8.819 1.00 0.00 H new ATOM 0 HG13 ILE A 36 16.772 16.646 -7.496 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.158 16.884 -8.478 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.735 18.042 -7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.787 18.548 -8.538 1.00 0.00 H new ATOM 0 HD11 ILE A 36 16.283 15.119 -9.365 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.332 14.668 -7.930 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.556 15.540 -9.274 1.00 0.00 H new ATOM 256 N LEU A 37 13.938 18.252 -4.170 1.00 0.00 N ATOM 257 CA LEU A 37 12.973 18.662 -3.145 1.00 0.00 C ATOM 258 C LEU A 37 13.348 20.031 -2.550 1.00 0.00 C ATOM 259 O LEU A 37 12.484 20.895 -2.401 1.00 0.00 O ATOM 260 CB LEU A 37 12.860 17.566 -2.057 1.00 0.00 C ATOM 261 CG LEU A 37 12.119 16.260 -2.424 1.00 0.00 C ATOM 262 CD1 LEU A 37 10.715 16.563 -2.909 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.821 15.377 -3.447 1.00 0.00 C ATOM 0 H LEU A 37 14.413 17.375 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 37 11.992 18.778 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.869 17.301 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.361 18.003 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 37 12.101 15.688 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.209 15.632 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.161 17.075 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.765 17.201 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.219 14.488 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.950 15.930 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.797 15.080 -3.063 1.00 0.00 H new ATOM 275 N HIS A 38 14.641 20.278 -2.306 1.00 0.00 N ATOM 276 CA HIS A 38 15.123 21.602 -1.881 1.00 0.00 C ATOM 277 C HIS A 38 14.922 22.679 -2.965 1.00 0.00 C ATOM 278 O HIS A 38 14.431 23.766 -2.657 1.00 0.00 O ATOM 279 CB HIS A 38 16.588 21.515 -1.425 1.00 0.00 C ATOM 280 CG HIS A 38 16.835 20.796 -0.111 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.031 20.870 0.613 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.965 19.993 0.574 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.843 20.133 1.722 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.619 19.581 1.715 1.00 0.00 N ATOM 0 H HIS A 38 15.376 19.577 -2.396 1.00 0.00 H new ATOM 0 HA HIS A 38 14.518 21.917 -1.031 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.161 21.013 -2.204 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.983 22.528 -1.342 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.960 19.732 0.278 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.573 20.003 2.507 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.238 18.963 2.431 1.00 0.00 H new ATOM 292 N ALA A 39 15.203 22.382 -4.241 1.00 0.00 N ATOM 293 CA ALA A 39 14.980 23.303 -5.364 1.00 0.00 C ATOM 294 C ALA A 39 13.491 23.633 -5.585 1.00 0.00 C ATOM 295 O ALA A 39 13.158 24.734 -6.029 1.00 0.00 O ATOM 296 CB ALA A 39 15.576 22.682 -6.630 1.00 0.00 C ATOM 0 H ALA A 39 15.596 21.485 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 39 15.470 24.247 -5.126 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.419 23.354 -7.474 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.645 22.522 -6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.090 21.727 -6.831 1.00 0.00 H new ATOM 302 N ALA A 40 12.594 22.706 -5.233 1.00 0.00 N ATOM 303 CA ALA A 40 11.147 22.913 -5.236 1.00 0.00 C ATOM 304 C ALA A 40 10.654 23.813 -4.075 1.00 0.00 C ATOM 305 O ALA A 40 9.469 24.151 -4.018 1.00 0.00 O ATOM 306 CB ALA A 40 10.467 21.538 -5.201 1.00 0.00 C ATOM 0 H ALA A 40 12.863 21.770 -4.931 1.00 0.00 H new ATOM 0 HA ALA A 40 10.878 23.450 -6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.385 21.667 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.765 20.962 -6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.768 21.006 -4.298 1.00 0.00 H new ATOM 312 N GLY A 41 11.542 24.195 -3.143 1.00 0.00 N ATOM 313 CA GLY A 41 11.242 25.035 -1.977 1.00 0.00 C ATOM 314 C GLY A 41 10.855 24.268 -0.702 1.00 0.00 C ATOM 315 O GLY A 41 10.452 24.896 0.281 1.00 0.00 O ATOM 0 H GLY A 41 12.522 23.917 -3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.113 25.653 -1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.428 25.712 -2.236 1.00 0.00 H new ATOM 319 N ALA A 42 10.967 22.934 -0.694 1.00 0.00 N ATOM 320 CA ALA A 42 10.690 22.090 0.472 1.00 0.00 C ATOM 321 C ALA A 42 11.926 21.899 1.378 1.00 0.00 C ATOM 322 O ALA A 42 13.062 22.182 0.986 1.00 0.00 O ATOM 323 CB ALA A 42 10.130 20.748 -0.016 1.00 0.00 C ATOM 0 H ALA A 42 11.258 22.402 -1.514 1.00 0.00 H new ATOM 0 HA ALA A 42 9.950 22.591 1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.919 20.109 0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.211 20.919 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.862 20.261 -0.660 1.00 0.00 H new ATOM 329 N GLN A 43 11.702 21.365 2.582 1.00 0.00 N ATOM 330 CA GLN A 43 12.741 20.903 3.512 1.00 0.00 C ATOM 331 C GLN A 43 12.450 19.450 3.929 1.00 0.00 C ATOM 332 O GLN A 43 11.290 19.067 4.112 1.00 0.00 O ATOM 333 CB GLN A 43 12.835 21.879 4.703 1.00 0.00 C ATOM 334 CG GLN A 43 14.036 21.644 5.643 1.00 0.00 C ATOM 335 CD GLN A 43 13.880 20.477 6.627 1.00 0.00 C ATOM 336 OE1 GLN A 43 12.795 20.120 7.066 1.00 0.00 O ATOM 337 NE2 GLN A 43 14.962 19.830 7.015 1.00 0.00 N ATOM 0 H GLN A 43 10.760 21.237 2.951 1.00 0.00 H new ATOM 0 HA GLN A 43 13.720 20.899 3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.889 22.897 4.316 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.917 21.807 5.286 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.923 21.469 5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.215 22.556 6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.877 20.110 6.662 1.00 0.00 H new ATOM 0 HE22 GLN A 43 14.883 19.050 7.668 1.00 0.00 H new ATOM 346 N GLY A 44 13.501 18.637 4.063 1.00 0.00 N ATOM 347 CA GLY A 44 13.388 17.222 4.427 1.00 0.00 C ATOM 348 C GLY A 44 14.700 16.453 4.406 1.00 0.00 C ATOM 349 O GLY A 44 15.708 16.904 3.857 1.00 0.00 O ATOM 0 H GLY A 44 14.463 18.945 3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.957 17.151 5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.689 16.740 3.743 1.00 0.00 H new ATOM 353 N GLU A 45 14.637 15.255 4.983 1.00 0.00 N ATOM 354 CA GLU A 45 15.679 14.225 4.926 1.00 0.00 C ATOM 355 C GLU A 45 15.074 12.902 4.434 1.00 0.00 C ATOM 356 O GLU A 45 15.433 12.423 3.365 1.00 0.00 O ATOM 357 CB GLU A 45 16.377 14.104 6.292 1.00 0.00 C ATOM 358 CG GLU A 45 17.283 15.311 6.580 1.00 0.00 C ATOM 359 CD GLU A 45 18.106 15.111 7.867 1.00 0.00 C ATOM 360 OE1 GLU A 45 17.589 15.383 8.978 1.00 0.00 O ATOM 361 OE2 GLU A 45 19.286 14.685 7.774 1.00 0.00 O ATOM 0 H GLU A 45 13.826 14.960 5.526 1.00 0.00 H new ATOM 0 HA GLU A 45 16.450 14.506 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.626 14.018 7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.971 13.190 6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.957 15.469 5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.673 16.210 6.674 1.00 0.00 H new ATOM 368 N MET A 46 14.087 12.363 5.153 1.00 0.00 N ATOM 369 CA MET A 46 13.251 11.224 4.756 1.00 0.00 C ATOM 370 C MET A 46 11.954 11.698 4.077 1.00 0.00 C ATOM 371 O MET A 46 11.322 12.652 4.532 1.00 0.00 O ATOM 372 CB MET A 46 12.937 10.323 5.966 1.00 0.00 C ATOM 373 CG MET A 46 14.122 9.470 6.449 1.00 0.00 C ATOM 374 SD MET A 46 15.589 10.332 7.092 1.00 0.00 S ATOM 375 CE MET A 46 14.898 11.105 8.579 1.00 0.00 C ATOM 0 H MET A 46 13.836 12.725 6.073 1.00 0.00 H new ATOM 0 HA MET A 46 13.813 10.635 4.031 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.596 10.949 6.791 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.111 9.661 5.706 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.757 8.804 7.231 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.442 8.841 5.618 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.697 11.584 9.145 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.159 11.853 8.291 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.422 10.344 9.197 1.00 0.00 H new ATOM 385 N PHE A 47 11.537 10.995 3.020 1.00 0.00 N ATOM 386 CA PHE A 47 10.305 11.254 2.254 1.00 0.00 C ATOM 387 C PHE A 47 9.685 9.946 1.721 1.00 0.00 C ATOM 388 O PHE A 47 10.408 9.080 1.225 1.00 0.00 O ATOM 389 CB PHE A 47 10.611 12.137 1.028 1.00 0.00 C ATOM 390 CG PHE A 47 11.214 13.517 1.233 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.603 13.665 1.408 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.406 14.665 1.110 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.186 14.944 1.438 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.988 15.947 1.142 1.00 0.00 C ATOM 395 CZ PHE A 47 12.380 16.085 1.288 1.00 0.00 C ATOM 0 H PHE A 47 12.064 10.200 2.658 1.00 0.00 H new ATOM 0 HA PHE A 47 9.612 11.748 2.935 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.288 11.577 0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.679 12.266 0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.225 12.790 1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.338 14.561 0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.252 15.049 1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.365 16.825 1.054 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.829 17.067 1.285 1.00 0.00 H new ATOM 405 N THR A 48 8.356 9.797 1.770 1.00 0.00 N ATOM 406 CA THR A 48 7.662 8.693 1.058 1.00 0.00 C ATOM 407 C THR A 48 7.617 8.960 -0.462 1.00 0.00 C ATOM 408 O THR A 48 7.870 10.087 -0.891 1.00 0.00 O ATOM 409 CB THR A 48 6.217 8.495 1.539 1.00 0.00 C ATOM 410 OG1 THR A 48 5.426 9.600 1.170 1.00 0.00 O ATOM 411 CG2 THR A 48 6.099 8.334 3.043 1.00 0.00 C ATOM 0 H THR A 48 7.734 10.417 2.289 1.00 0.00 H new ATOM 0 HA THR A 48 8.237 7.793 1.278 1.00 0.00 H new ATOM 0 HB THR A 48 5.874 7.575 1.065 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.507 9.462 1.480 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.052 8.198 3.313 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.672 7.463 3.362 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.488 9.225 3.536 1.00 0.00 H new ATOM 419 N VAL A 49 7.202 7.991 -1.299 1.00 0.00 N ATOM 420 CA VAL A 49 6.916 8.255 -2.736 1.00 0.00 C ATOM 421 C VAL A 49 5.886 9.383 -2.891 1.00 0.00 C ATOM 422 O VAL A 49 6.071 10.256 -3.736 1.00 0.00 O ATOM 423 CB VAL A 49 6.482 6.967 -3.490 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.467 7.157 -4.627 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.693 6.315 -4.160 1.00 0.00 C ATOM 0 H VAL A 49 7.056 7.022 -1.015 1.00 0.00 H new ATOM 0 HA VAL A 49 7.844 8.587 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 49 6.017 6.371 -2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.241 6.191 -5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.552 7.595 -4.228 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.887 7.821 -5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.377 5.414 -4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.135 7.013 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.431 6.053 -3.402 1.00 0.00 H new ATOM 435 N LYS A 50 4.843 9.424 -2.049 1.00 0.00 N ATOM 436 CA LYS A 50 3.796 10.456 -2.076 1.00 0.00 C ATOM 437 C LYS A 50 4.322 11.842 -1.689 1.00 0.00 C ATOM 438 O LYS A 50 4.032 12.819 -2.377 1.00 0.00 O ATOM 439 CB LYS A 50 2.662 9.978 -1.163 1.00 0.00 C ATOM 440 CG LYS A 50 1.407 10.852 -1.259 1.00 0.00 C ATOM 441 CD LYS A 50 0.304 10.193 -0.428 1.00 0.00 C ATOM 442 CE LYS A 50 -0.985 11.025 -0.476 1.00 0.00 C ATOM 443 NZ LYS A 50 -2.074 10.397 0.321 1.00 0.00 N ATOM 0 H LYS A 50 4.701 8.728 -1.317 1.00 0.00 H new ATOM 0 HA LYS A 50 3.426 10.584 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.403 8.951 -1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.013 9.968 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.613 11.856 -0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.092 10.953 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.109 9.189 -0.805 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.635 10.086 0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.786 12.027 -0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.309 11.136 -1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.929 10.986 0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.280 9.451 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.774 10.314 1.313 1.00 0.00 H new ATOM 457 N GLU A 51 5.147 11.931 -0.644 1.00 0.00 N ATOM 458 CA GLU A 51 5.766 13.198 -0.225 1.00 0.00 C ATOM 459 C GLU A 51 6.822 13.689 -1.226 1.00 0.00 C ATOM 460 O GLU A 51 6.926 14.896 -1.446 1.00 0.00 O ATOM 461 CB GLU A 51 6.373 13.076 1.177 1.00 0.00 C ATOM 462 CG GLU A 51 5.294 12.943 2.260 1.00 0.00 C ATOM 463 CD GLU A 51 5.887 13.067 3.678 1.00 0.00 C ATOM 464 OE1 GLU A 51 6.984 12.516 3.938 1.00 0.00 O ATOM 465 OE2 GLU A 51 5.250 13.717 4.545 1.00 0.00 O ATOM 0 H GLU A 51 5.406 11.133 -0.064 1.00 0.00 H new ATOM 0 HA GLU A 51 4.971 13.943 -0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.032 12.208 1.213 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.988 13.952 1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.536 13.713 2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.794 11.980 2.158 1.00 0.00 H new ATOM 472 N VAL A 52 7.553 12.779 -1.889 1.00 0.00 N ATOM 473 CA VAL A 52 8.421 13.143 -3.021 1.00 0.00 C ATOM 474 C VAL A 52 7.571 13.726 -4.148 1.00 0.00 C ATOM 475 O VAL A 52 7.809 14.849 -4.577 1.00 0.00 O ATOM 476 CB VAL A 52 9.283 11.957 -3.519 1.00 0.00 C ATOM 477 CG1 VAL A 52 9.985 12.242 -4.856 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.389 11.618 -2.515 1.00 0.00 C ATOM 0 H VAL A 52 7.560 11.785 -1.661 1.00 0.00 H new ATOM 0 HA VAL A 52 9.126 13.898 -2.673 1.00 0.00 H new ATOM 0 HB VAL A 52 8.580 11.133 -3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.573 11.373 -5.151 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.238 12.451 -5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.643 13.104 -4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.978 10.782 -2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.035 12.485 -2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.942 11.346 -1.559 1.00 0.00 H new ATOM 488 N MET A 53 6.553 12.996 -4.603 1.00 0.00 N ATOM 489 CA MET A 53 5.707 13.294 -5.746 1.00 0.00 C ATOM 490 C MET A 53 4.911 14.591 -5.626 1.00 0.00 C ATOM 491 O MET A 53 4.790 15.312 -6.613 1.00 0.00 O ATOM 492 CB MET A 53 4.810 12.072 -5.846 1.00 0.00 C ATOM 493 CG MET A 53 3.698 12.184 -6.870 1.00 0.00 C ATOM 494 SD MET A 53 2.793 10.651 -7.255 1.00 0.00 S ATOM 495 CE MET A 53 3.912 9.383 -6.593 1.00 0.00 C ATOM 0 H MET A 53 6.284 12.123 -4.149 1.00 0.00 H new ATOM 0 HA MET A 53 6.301 13.473 -6.642 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.425 11.206 -6.091 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.367 11.882 -4.868 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.981 12.924 -6.516 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.124 12.571 -7.796 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.482 8.395 -6.760 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.876 9.450 -7.097 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.050 9.542 -5.524 1.00 0.00 H new ATOM 505 N HIS A 54 4.425 14.917 -4.427 1.00 0.00 N ATOM 506 CA HIS A 54 3.779 16.207 -4.145 1.00 0.00 C ATOM 507 C HIS A 54 4.653 17.395 -4.591 1.00 0.00 C ATOM 508 O HIS A 54 4.221 18.221 -5.398 1.00 0.00 O ATOM 509 CB HIS A 54 3.451 16.285 -2.646 1.00 0.00 C ATOM 510 CG HIS A 54 2.847 17.608 -2.239 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.525 18.004 -2.468 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.513 18.625 -1.620 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.426 19.253 -1.976 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.604 19.649 -1.462 1.00 0.00 N ATOM 0 H HIS A 54 4.467 14.295 -3.620 1.00 0.00 H new ATOM 0 HA HIS A 54 2.856 16.272 -4.720 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.759 15.483 -2.389 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.362 16.116 -2.072 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.549 18.627 -1.314 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.528 19.852 -1.992 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.793 20.553 -1.029 1.00 0.00 H new ATOM 522 N TYR A 55 5.900 17.459 -4.110 1.00 0.00 N ATOM 523 CA TYR A 55 6.887 18.460 -4.535 1.00 0.00 C ATOM 524 C TYR A 55 7.489 18.209 -5.928 1.00 0.00 C ATOM 525 O TYR A 55 7.832 19.170 -6.606 1.00 0.00 O ATOM 526 CB TYR A 55 7.969 18.564 -3.461 1.00 0.00 C ATOM 527 CG TYR A 55 7.467 19.096 -2.129 1.00 0.00 C ATOM 528 CD1 TYR A 55 6.952 20.406 -2.043 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.501 18.281 -0.980 1.00 0.00 C ATOM 530 CE1 TYR A 55 6.471 20.901 -0.814 1.00 0.00 C ATOM 531 CE2 TYR A 55 7.024 18.772 0.251 1.00 0.00 C ATOM 532 CZ TYR A 55 6.509 20.084 0.339 1.00 0.00 C ATOM 533 OH TYR A 55 6.052 20.551 1.534 1.00 0.00 O ATOM 0 H TYR A 55 6.256 16.811 -3.408 1.00 0.00 H new ATOM 0 HA TYR A 55 6.364 19.410 -4.641 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.408 17.579 -3.305 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.765 19.214 -3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.926 21.032 -2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.894 17.277 -1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.074 21.903 -0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.052 18.144 1.129 1.00 0.00 H new ATOM 0 HH TYR A 55 6.153 19.856 2.217 1.00 0.00 H new ATOM 543 N LEU A 56 7.614 16.961 -6.394 1.00 0.00 N ATOM 544 CA LEU A 56 8.187 16.643 -7.713 1.00 0.00 C ATOM 545 C LEU A 56 7.260 17.032 -8.869 1.00 0.00 C ATOM 546 O LEU A 56 7.740 17.608 -9.840 1.00 0.00 O ATOM 547 CB LEU A 56 8.621 15.161 -7.787 1.00 0.00 C ATOM 548 CG LEU A 56 10.138 14.913 -7.659 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.861 15.276 -8.956 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.797 15.649 -6.494 1.00 0.00 C ATOM 0 H LEU A 56 7.320 16.138 -5.867 1.00 0.00 H new ATOM 0 HA LEU A 56 9.081 17.256 -7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.111 14.610 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.280 14.746 -8.736 1.00 0.00 H new ATOM 0 HG LEU A 56 10.234 13.847 -7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.929 15.092 -8.841 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.474 14.665 -9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.696 16.330 -9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.863 15.421 -6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.658 16.723 -6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.341 15.329 -5.557 1.00 0.00 H new ATOM 562 N GLY A 57 5.946 16.831 -8.751 1.00 0.00 N ATOM 563 CA GLY A 57 4.973 17.335 -9.729 1.00 0.00 C ATOM 564 C GLY A 57 4.983 18.866 -9.811 1.00 0.00 C ATOM 565 O GLY A 57 4.982 19.435 -10.901 1.00 0.00 O ATOM 0 H GLY A 57 5.525 16.316 -7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.196 16.918 -10.711 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.975 16.993 -9.457 1.00 0.00 H new ATOM 569 N GLN A 58 5.110 19.538 -8.662 1.00 0.00 N ATOM 570 CA GLN A 58 5.291 20.992 -8.551 1.00 0.00 C ATOM 571 C GLN A 58 6.625 21.463 -9.169 1.00 0.00 C ATOM 572 O GLN A 58 6.654 22.423 -9.945 1.00 0.00 O ATOM 573 CB GLN A 58 5.162 21.347 -7.055 1.00 0.00 C ATOM 574 CG GLN A 58 5.500 22.788 -6.652 1.00 0.00 C ATOM 575 CD GLN A 58 4.531 23.815 -7.238 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.595 24.270 -6.593 1.00 0.00 O ATOM 577 NE2 GLN A 58 4.704 24.212 -8.482 1.00 0.00 N ATOM 0 H GLN A 58 5.089 19.072 -7.755 1.00 0.00 H new ATOM 0 HA GLN A 58 4.528 21.519 -9.124 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.138 21.139 -6.744 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.809 20.676 -6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.491 22.867 -5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.512 23.023 -6.980 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.479 23.842 -9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.063 24.889 -8.895 1.00 0.00 H new ATOM 586 N TYR A 59 7.727 20.772 -8.875 1.00 0.00 N ATOM 587 CA TYR A 59 9.052 21.071 -9.413 1.00 0.00 C ATOM 588 C TYR A 59 9.038 20.936 -10.935 1.00 0.00 C ATOM 589 O TYR A 59 9.404 21.864 -11.645 1.00 0.00 O ATOM 590 CB TYR A 59 10.070 20.113 -8.782 1.00 0.00 C ATOM 591 CG TYR A 59 11.460 20.201 -9.374 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.413 21.098 -8.855 1.00 0.00 C ATOM 593 CD2 TYR A 59 11.787 19.377 -10.465 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.691 21.168 -9.444 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.058 19.442 -11.057 1.00 0.00 C ATOM 596 CZ TYR A 59 14.023 20.336 -10.536 1.00 0.00 C ATOM 597 OH TYR A 59 15.270 20.421 -11.064 1.00 0.00 O ATOM 0 H TYR A 59 7.722 19.972 -8.242 1.00 0.00 H new ATOM 0 HA TYR A 59 9.334 22.096 -9.171 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.130 20.318 -7.713 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.706 19.091 -8.891 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.166 21.727 -8.012 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.052 18.686 -10.852 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.422 21.863 -9.058 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.297 18.815 -11.903 1.00 0.00 H new ATOM 0 HH TYR A 59 15.285 19.983 -11.940 1.00 0.00 H new ATOM 607 N ILE A 60 8.515 19.821 -11.447 1.00 0.00 N ATOM 608 CA ILE A 60 8.391 19.550 -12.880 1.00 0.00 C ATOM 609 C ILE A 60 7.431 20.549 -13.550 1.00 0.00 C ATOM 610 O ILE A 60 7.714 20.980 -14.661 1.00 0.00 O ATOM 611 CB ILE A 60 8.029 18.058 -13.079 1.00 0.00 C ATOM 612 CG1 ILE A 60 9.260 17.186 -12.708 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.562 17.782 -14.517 1.00 0.00 C ATOM 614 CD1 ILE A 60 9.058 15.667 -12.819 1.00 0.00 C ATOM 0 H ILE A 60 8.158 19.064 -10.864 1.00 0.00 H new ATOM 0 HA ILE A 60 9.341 19.709 -13.390 1.00 0.00 H new ATOM 0 HB ILE A 60 7.196 17.801 -12.424 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.092 17.471 -13.352 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.554 17.421 -11.685 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.316 16.726 -14.623 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.680 18.384 -14.735 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.359 18.040 -15.214 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.979 15.156 -12.537 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.253 15.357 -12.153 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.799 15.408 -13.846 1.00 0.00 H new ATOM 626 N MET A 61 6.378 21.023 -12.879 1.00 0.00 N ATOM 627 CA MET A 61 5.538 22.134 -13.361 1.00 0.00 C ATOM 628 C MET A 61 6.328 23.453 -13.473 1.00 0.00 C ATOM 629 O MET A 61 6.157 24.186 -14.444 1.00 0.00 O ATOM 630 CB MET A 61 4.309 22.261 -12.441 1.00 0.00 C ATOM 631 CG MET A 61 3.345 23.426 -12.709 1.00 0.00 C ATOM 632 SD MET A 61 2.230 23.255 -14.133 1.00 0.00 S ATOM 633 CE MET A 61 3.245 23.976 -15.447 1.00 0.00 C ATOM 0 H MET A 61 6.078 20.647 -11.979 1.00 0.00 H new ATOM 0 HA MET A 61 5.200 21.915 -14.374 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.742 21.332 -12.506 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.664 22.347 -11.414 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.737 23.576 -11.817 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.936 24.331 -12.847 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.617 24.207 -16.307 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.714 24.891 -15.084 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.017 23.265 -15.742 1.00 0.00 H new ATOM 643 N VAL A 62 7.232 23.768 -12.536 1.00 0.00 N ATOM 644 CA VAL A 62 8.023 25.018 -12.585 1.00 0.00 C ATOM 645 C VAL A 62 9.184 24.940 -13.578 1.00 0.00 C ATOM 646 O VAL A 62 9.440 25.886 -14.324 1.00 0.00 O ATOM 647 CB VAL A 62 8.498 25.420 -11.184 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.355 26.686 -11.164 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.305 25.695 -10.270 1.00 0.00 C ATOM 0 H VAL A 62 7.438 23.177 -11.731 1.00 0.00 H new ATOM 0 HA VAL A 62 7.362 25.802 -12.954 1.00 0.00 H new ATOM 0 HB VAL A 62 9.098 24.577 -10.842 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.653 26.907 -10.139 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.244 26.533 -11.776 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.779 27.521 -11.563 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.663 25.979 -9.280 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.707 26.506 -10.686 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.693 24.797 -10.191 1.00 0.00 H new ATOM 659 N LYS A 63 9.873 23.796 -13.601 1.00 0.00 N ATOM 660 CA LYS A 63 11.065 23.541 -14.431 1.00 0.00 C ATOM 661 C LYS A 63 10.709 23.053 -15.844 1.00 0.00 C ATOM 662 O LYS A 63 11.551 23.103 -16.739 1.00 0.00 O ATOM 663 CB LYS A 63 12.021 22.565 -13.707 1.00 0.00 C ATOM 664 CG LYS A 63 12.501 22.969 -12.293 1.00 0.00 C ATOM 665 CD LYS A 63 12.821 24.456 -12.111 1.00 0.00 C ATOM 666 CE LYS A 63 13.502 24.670 -10.750 1.00 0.00 C ATOM 667 NZ LYS A 63 13.909 26.088 -10.543 1.00 0.00 N ATOM 0 H LYS A 63 9.613 22.994 -13.027 1.00 0.00 H new ATOM 0 HA LYS A 63 11.581 24.491 -14.568 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.524 21.598 -13.632 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.900 22.424 -14.335 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.733 22.689 -11.572 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.392 22.390 -12.050 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.473 24.800 -12.914 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.906 25.046 -12.169 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.822 24.369 -9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.380 24.028 -10.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.364 26.186 -9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.579 26.369 -11.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.069 26.700 -10.584 1.00 0.00 H new ATOM 681 N GLN A 64 9.458 22.618 -16.036 1.00 0.00 N ATOM 682 CA GLN A 64 8.846 22.109 -17.268 1.00 0.00 C ATOM 683 C GLN A 64 9.694 21.046 -18.009 1.00 0.00 C ATOM 684 O GLN A 64 10.390 21.342 -18.983 1.00 0.00 O ATOM 685 CB GLN A 64 8.372 23.278 -18.157 1.00 0.00 C ATOM 686 CG GLN A 64 6.937 23.708 -17.805 1.00 0.00 C ATOM 687 CD GLN A 64 6.750 25.221 -17.865 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.798 25.850 -18.915 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.546 25.859 -16.733 1.00 0.00 N ATOM 0 H GLN A 64 8.790 22.613 -15.265 1.00 0.00 H new ATOM 0 HA GLN A 64 7.959 21.545 -16.979 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.047 24.125 -18.036 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.417 22.981 -19.205 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.239 23.231 -18.493 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.690 23.354 -16.804 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.505 25.341 -15.856 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.429 26.872 -16.733 1.00 0.00 H new ATOM 698 N LEU A 65 9.618 19.786 -17.549 1.00 0.00 N ATOM 699 CA LEU A 65 10.380 18.636 -18.083 1.00 0.00 C ATOM 700 C LEU A 65 9.542 17.719 -19.004 1.00 0.00 C ATOM 701 O LEU A 65 9.976 16.631 -19.382 1.00 0.00 O ATOM 702 CB LEU A 65 11.045 17.865 -16.929 1.00 0.00 C ATOM 703 CG LEU A 65 11.958 18.715 -16.022 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.690 17.781 -15.070 1.00 0.00 C ATOM 705 CD2 LEU A 65 13.025 19.511 -16.778 1.00 0.00 C ATOM 0 H LEU A 65 9.008 19.528 -16.773 1.00 0.00 H new ATOM 0 HA LEU A 65 11.163 19.033 -18.729 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.265 17.415 -16.315 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.632 17.048 -17.348 1.00 0.00 H new ATOM 0 HG LEU A 65 11.309 19.430 -15.517 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.342 18.363 -14.419 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.965 17.237 -14.465 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.288 17.073 -15.643 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.624 20.081 -16.068 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.669 18.825 -17.328 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.542 20.194 -17.477 1.00 0.00 H new ATOM 717 N TYR A 66 8.327 18.149 -19.350 1.00 0.00 N ATOM 718 CA TYR A 66 7.335 17.409 -20.137 1.00 0.00 C ATOM 719 C TYR A 66 6.921 18.189 -21.398 1.00 0.00 C ATOM 720 O TYR A 66 7.150 19.399 -21.493 1.00 0.00 O ATOM 721 CB TYR A 66 6.125 17.087 -19.242 1.00 0.00 C ATOM 722 CG TYR A 66 5.363 18.328 -18.810 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.325 18.822 -19.620 1.00 0.00 C ATOM 724 CD2 TYR A 66 5.750 19.038 -17.657 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.688 20.034 -19.300 1.00 0.00 C ATOM 726 CE2 TYR A 66 5.117 20.253 -17.329 1.00 0.00 C ATOM 727 CZ TYR A 66 4.090 20.758 -18.157 1.00 0.00 C ATOM 728 OH TYR A 66 3.502 21.948 -17.862 1.00 0.00 O ATOM 0 H TYR A 66 7.990 19.071 -19.075 1.00 0.00 H new ATOM 0 HA TYR A 66 7.776 16.475 -20.485 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.450 16.420 -19.778 1.00 0.00 H new ATOM 0 HB3 TYR A 66 6.467 16.550 -18.357 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.015 18.267 -20.493 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.534 18.650 -17.023 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.893 20.410 -19.927 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.416 20.798 -16.446 1.00 0.00 H new ATOM 0 HH TYR A 66 2.578 21.946 -18.189 1.00 0.00 H new ATOM 738 N ASP A 67 6.287 17.514 -22.363 1.00 0.00 N ATOM 739 CA ASP A 67 5.733 18.168 -23.556 1.00 0.00 C ATOM 740 C ASP A 67 4.265 18.581 -23.339 1.00 0.00 C ATOM 741 O ASP A 67 3.453 17.766 -22.899 1.00 0.00 O ATOM 742 CB ASP A 67 5.884 17.257 -24.787 1.00 0.00 C ATOM 743 CG ASP A 67 5.830 18.053 -26.095 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.845 18.798 -26.297 1.00 0.00 O ATOM 745 OD2 ASP A 67 6.752 17.937 -26.934 1.00 0.00 O ATOM 0 H ASP A 67 6.143 16.504 -22.341 1.00 0.00 H new ATOM 0 HA ASP A 67 6.300 19.081 -23.738 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.831 16.720 -24.727 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.092 16.508 -24.784 1.00 0.00 H new ATOM 750 N GLN A 68 3.878 19.811 -23.700 1.00 0.00 N ATOM 751 CA GLN A 68 2.471 20.249 -23.653 1.00 0.00 C ATOM 752 C GLN A 68 1.526 19.415 -24.545 1.00 0.00 C ATOM 753 O GLN A 68 0.309 19.425 -24.344 1.00 0.00 O ATOM 754 CB GLN A 68 2.360 21.739 -24.031 1.00 0.00 C ATOM 755 CG GLN A 68 2.609 22.078 -25.519 1.00 0.00 C ATOM 756 CD GLN A 68 4.055 22.485 -25.812 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.422 23.650 -25.717 1.00 0.00 O ATOM 758 NE2 GLN A 68 4.947 21.580 -26.162 1.00 0.00 N ATOM 0 H GLN A 68 4.523 20.528 -24.031 1.00 0.00 H new ATOM 0 HA GLN A 68 2.146 20.093 -22.624 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.364 22.090 -23.760 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.071 22.301 -23.426 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.351 21.213 -26.130 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.943 22.888 -25.817 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.673 20.601 -26.250 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.911 21.858 -26.345 1.00 0.00 H new ATOM 767 N GLN A 69 2.070 18.719 -25.548 1.00 0.00 N ATOM 768 CA GLN A 69 1.320 17.879 -26.473 1.00 0.00 C ATOM 769 C GLN A 69 1.036 16.494 -25.861 1.00 0.00 C ATOM 770 O GLN A 69 0.028 15.851 -26.160 1.00 0.00 O ATOM 771 CB GLN A 69 2.163 17.683 -27.742 1.00 0.00 C ATOM 772 CG GLN A 69 2.542 18.995 -28.440 1.00 0.00 C ATOM 773 CD GLN A 69 3.550 18.768 -29.562 1.00 0.00 C ATOM 774 OE1 GLN A 69 3.221 18.729 -30.743 1.00 0.00 O ATOM 775 NE2 GLN A 69 4.814 18.608 -29.235 1.00 0.00 N ATOM 0 H GLN A 69 3.072 18.728 -25.740 1.00 0.00 H new ATOM 0 HA GLN A 69 0.370 18.365 -26.695 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.074 17.144 -27.482 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.610 17.056 -28.442 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.645 19.463 -28.846 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.960 19.688 -27.710 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.095 18.639 -28.255 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.513 18.453 -29.961 1.00 0.00 H new ATOM 784 N GLU A 70 1.973 16.038 -25.025 1.00 0.00 N ATOM 785 CA GLU A 70 2.090 14.689 -24.462 1.00 0.00 C ATOM 786 C GLU A 70 2.671 14.753 -23.036 1.00 0.00 C ATOM 787 O GLU A 70 3.829 14.407 -22.804 1.00 0.00 O ATOM 788 CB GLU A 70 2.974 13.824 -25.388 1.00 0.00 C ATOM 789 CG GLU A 70 2.309 13.511 -26.735 1.00 0.00 C ATOM 790 CD GLU A 70 3.039 12.365 -27.459 1.00 0.00 C ATOM 791 OE1 GLU A 70 3.982 12.631 -28.244 1.00 0.00 O ATOM 792 OE2 GLU A 70 2.660 11.185 -27.252 1.00 0.00 O ATOM 0 H GLU A 70 2.725 16.646 -24.700 1.00 0.00 H new ATOM 0 HA GLU A 70 1.102 14.233 -24.396 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.917 14.341 -25.567 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.214 12.889 -24.882 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.266 13.238 -26.575 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.313 14.403 -27.362 1.00 0.00 H new ATOM 799 N GLN A 71 1.872 15.182 -22.051 1.00 0.00 N ATOM 800 CA GLN A 71 2.291 15.252 -20.643 1.00 0.00 C ATOM 801 C GLN A 71 2.691 13.875 -20.075 1.00 0.00 C ATOM 802 O GLN A 71 3.503 13.789 -19.152 1.00 0.00 O ATOM 803 CB GLN A 71 1.167 15.860 -19.788 1.00 0.00 C ATOM 804 CG GLN A 71 0.846 17.329 -20.117 1.00 0.00 C ATOM 805 CD GLN A 71 -0.082 17.582 -21.309 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.506 16.696 -22.041 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.443 18.825 -21.545 1.00 0.00 N ATOM 0 H GLN A 71 0.913 15.492 -22.207 1.00 0.00 H new ATOM 0 HA GLN A 71 3.175 15.889 -20.604 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.264 15.264 -19.920 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.446 15.788 -18.737 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.397 17.785 -19.234 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.786 17.849 -20.302 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.101 19.578 -20.947 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.065 19.036 -22.326 1.00 0.00 H new ATOM 816 N HIS A 72 2.172 12.797 -20.677 1.00 0.00 N ATOM 817 CA HIS A 72 2.564 11.408 -20.417 1.00 0.00 C ATOM 818 C HIS A 72 3.995 11.054 -20.863 1.00 0.00 C ATOM 819 O HIS A 72 4.444 9.958 -20.543 1.00 0.00 O ATOM 820 CB HIS A 72 1.528 10.465 -21.055 1.00 0.00 C ATOM 821 CG HIS A 72 1.242 10.721 -22.519 1.00 0.00 C ATOM 822 ND1 HIS A 72 0.040 11.222 -23.029 1.00 0.00 N ATOM 823 CD2 HIS A 72 2.101 10.507 -23.558 1.00 0.00 C ATOM 824 CE1 HIS A 72 0.195 11.274 -24.364 1.00 0.00 C ATOM 825 NE2 HIS A 72 1.421 10.847 -24.706 1.00 0.00 N ATOM 0 H HIS A 72 1.441 12.872 -21.384 1.00 0.00 H new ATOM 0 HA HIS A 72 2.578 11.279 -19.335 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.877 9.438 -20.943 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.594 10.547 -20.499 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.115 10.142 -23.492 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.558 11.611 -25.061 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.787 10.785 -25.656 1.00 0.00 H new ATOM 833 N MET A 73 4.716 11.941 -21.558 1.00 0.00 N ATOM 834 CA MET A 73 6.129 11.814 -21.949 1.00 0.00 C ATOM 835 C MET A 73 6.975 12.850 -21.185 1.00 0.00 C ATOM 836 O MET A 73 6.692 14.051 -21.234 1.00 0.00 O ATOM 837 CB MET A 73 6.232 12.005 -23.478 1.00 0.00 C ATOM 838 CG MET A 73 7.643 12.138 -24.079 1.00 0.00 C ATOM 839 SD MET A 73 8.502 10.611 -24.563 1.00 0.00 S ATOM 840 CE MET A 73 9.131 10.029 -22.971 1.00 0.00 C ATOM 0 H MET A 73 4.308 12.818 -21.882 1.00 0.00 H new ATOM 0 HA MET A 73 6.514 10.827 -21.694 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.739 11.159 -23.958 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.666 12.897 -23.745 1.00 0.00 H new ATOM 0 HG2 MET A 73 7.574 12.777 -24.959 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.268 12.660 -23.354 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.915 9.290 -23.138 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.539 10.871 -22.411 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.319 9.575 -22.403 1.00 0.00 H new ATOM 850 N VAL A 74 8.035 12.397 -20.507 1.00 0.00 N ATOM 851 CA VAL A 74 8.932 13.236 -19.689 1.00 0.00 C ATOM 852 C VAL A 74 10.384 13.037 -20.130 1.00 0.00 C ATOM 853 O VAL A 74 10.844 11.907 -20.305 1.00 0.00 O ATOM 854 CB VAL A 74 8.787 12.956 -18.171 1.00 0.00 C ATOM 855 CG1 VAL A 74 9.289 14.144 -17.344 1.00 0.00 C ATOM 856 CG2 VAL A 74 7.337 12.691 -17.746 1.00 0.00 C ATOM 0 H VAL A 74 8.304 11.413 -20.509 1.00 0.00 H new ATOM 0 HA VAL A 74 8.640 14.274 -19.850 1.00 0.00 H new ATOM 0 HB VAL A 74 9.384 12.063 -17.986 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.176 13.922 -16.283 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.341 14.324 -17.567 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.708 15.032 -17.593 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.301 12.502 -16.673 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.724 13.561 -17.982 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.954 11.822 -18.281 1.00 0.00 H new ATOM 866 N TYR A 75 11.113 14.139 -20.295 1.00 0.00 N ATOM 867 CA TYR A 75 12.547 14.185 -20.569 1.00 0.00 C ATOM 868 C TYR A 75 13.253 14.922 -19.424 1.00 0.00 C ATOM 869 O TYR A 75 13.277 16.154 -19.374 1.00 0.00 O ATOM 870 CB TYR A 75 12.800 14.853 -21.933 1.00 0.00 C ATOM 871 CG TYR A 75 14.275 15.043 -22.254 1.00 0.00 C ATOM 872 CD1 TYR A 75 15.028 13.966 -22.758 1.00 0.00 C ATOM 873 CD2 TYR A 75 14.905 16.282 -22.016 1.00 0.00 C ATOM 874 CE1 TYR A 75 16.407 14.116 -23.008 1.00 0.00 C ATOM 875 CE2 TYR A 75 16.284 16.437 -22.261 1.00 0.00 C ATOM 876 CZ TYR A 75 17.040 15.353 -22.757 1.00 0.00 C ATOM 877 OH TYR A 75 18.375 15.509 -22.980 1.00 0.00 O ATOM 0 H TYR A 75 10.699 15.069 -20.238 1.00 0.00 H new ATOM 0 HA TYR A 75 12.955 13.176 -20.624 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.342 14.248 -22.715 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.305 15.824 -21.950 1.00 0.00 H new ATOM 0 HD1 TYR A 75 14.546 13.019 -22.954 1.00 0.00 H new ATOM 0 HD2 TYR A 75 14.328 17.116 -21.644 1.00 0.00 H new ATOM 0 HE1 TYR A 75 16.980 13.285 -23.392 1.00 0.00 H new ATOM 0 HE2 TYR A 75 16.763 17.386 -22.069 1.00 0.00 H new ATOM 0 HH TYR A 75 18.640 16.425 -22.754 1.00 0.00 H new ATOM 887 N CYS A 76 13.854 14.162 -18.505 1.00 0.00 N ATOM 888 CA CYS A 76 14.656 14.704 -17.407 1.00 0.00 C ATOM 889 C CYS A 76 16.174 14.642 -17.689 1.00 0.00 C ATOM 890 O CYS A 76 16.978 14.802 -16.774 1.00 0.00 O ATOM 891 CB CYS A 76 14.261 14.037 -16.083 1.00 0.00 C ATOM 892 SG CYS A 76 12.484 14.232 -15.759 1.00 0.00 S ATOM 0 H CYS A 76 13.797 13.144 -18.503 1.00 0.00 H new ATOM 0 HA CYS A 76 14.433 15.767 -17.319 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.514 12.977 -16.116 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.833 14.476 -15.266 1.00 0.00 H new ATOM 0 HG CYS A 76 12.182 13.655 -14.634 1.00 0.00 H new ATOM 898 N GLY A 77 16.599 14.408 -18.939 1.00 0.00 N ATOM 899 CA GLY A 77 18.020 14.279 -19.311 1.00 0.00 C ATOM 900 C GLY A 77 18.863 15.541 -19.059 1.00 0.00 C ATOM 901 O GLY A 77 20.058 15.436 -18.779 1.00 0.00 O ATOM 0 H GLY A 77 15.962 14.302 -19.729 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.455 13.450 -18.753 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.084 14.020 -20.368 1.00 0.00 H new ATOM 905 N GLY A 78 18.233 16.723 -19.087 1.00 0.00 N ATOM 906 CA GLY A 78 18.834 18.013 -18.709 1.00 0.00 C ATOM 907 C GLY A 78 18.681 18.392 -17.224 1.00 0.00 C ATOM 908 O GLY A 78 19.046 19.504 -16.838 1.00 0.00 O ATOM 0 H GLY A 78 17.261 16.813 -19.382 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.896 17.988 -18.955 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.385 18.798 -19.317 1.00 0.00 H new ATOM 912 N ASP A 79 18.117 17.507 -16.394 1.00 0.00 N ATOM 913 CA ASP A 79 17.785 17.744 -14.981 1.00 0.00 C ATOM 914 C ASP A 79 18.739 17.009 -14.014 1.00 0.00 C ATOM 915 O ASP A 79 19.534 16.166 -14.425 1.00 0.00 O ATOM 916 CB ASP A 79 16.323 17.316 -14.773 1.00 0.00 C ATOM 917 CG ASP A 79 15.829 17.613 -13.359 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.725 18.810 -13.011 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.656 16.648 -12.582 1.00 0.00 O ATOM 0 H ASP A 79 17.868 16.566 -16.700 1.00 0.00 H new ATOM 0 HA ASP A 79 17.909 18.802 -14.751 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.689 17.833 -15.493 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.227 16.249 -14.973 1.00 0.00 H new ATOM 924 N LEU A 80 18.632 17.283 -12.710 1.00 0.00 N ATOM 925 CA LEU A 80 19.293 16.543 -11.629 1.00 0.00 C ATOM 926 C LEU A 80 19.013 15.025 -11.689 1.00 0.00 C ATOM 927 O LEU A 80 19.901 14.227 -11.394 1.00 0.00 O ATOM 928 CB LEU A 80 18.806 17.114 -10.282 1.00 0.00 C ATOM 929 CG LEU A 80 19.511 18.401 -9.806 1.00 0.00 C ATOM 930 CD1 LEU A 80 19.351 19.593 -10.753 1.00 0.00 C ATOM 931 CD2 LEU A 80 18.945 18.820 -8.448 1.00 0.00 C ATOM 0 H LEU A 80 18.062 18.055 -12.365 1.00 0.00 H new ATOM 0 HA LEU A 80 20.370 16.666 -11.740 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.737 17.314 -10.359 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.933 16.348 -9.517 1.00 0.00 H new ATOM 0 HG LEU A 80 20.571 18.152 -9.761 1.00 0.00 H new ATOM 0 HD11 LEU A 80 19.876 20.456 -10.344 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.769 19.342 -11.728 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.293 19.831 -10.863 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.443 19.729 -8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 80 17.875 19.005 -8.541 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.113 18.024 -7.722 1.00 0.00 H new ATOM 943 N LEU A 81 17.819 14.602 -12.124 1.00 0.00 N ATOM 944 CA LEU A 81 17.511 13.190 -12.404 1.00 0.00 C ATOM 945 C LEU A 81 18.415 12.620 -13.516 1.00 0.00 C ATOM 946 O LEU A 81 19.023 11.556 -13.362 1.00 0.00 O ATOM 947 CB LEU A 81 16.024 13.084 -12.786 1.00 0.00 C ATOM 948 CG LEU A 81 15.024 13.408 -11.659 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.598 13.448 -12.205 1.00 0.00 C ATOM 950 CD2 LEU A 81 15.071 12.388 -10.519 1.00 0.00 C ATOM 0 H LEU A 81 17.034 15.231 -12.293 1.00 0.00 H new ATOM 0 HA LEU A 81 17.707 12.594 -11.513 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.833 13.757 -13.622 1.00 0.00 H new ATOM 0 HB3 LEU A 81 15.829 12.072 -13.141 1.00 0.00 H new ATOM 0 HG LEU A 81 15.315 14.382 -11.265 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.905 13.678 -11.396 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.525 14.216 -12.975 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.345 12.478 -12.634 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.347 12.665 -9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.829 11.398 -10.906 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.071 12.373 -10.085 1.00 0.00 H new ATOM 962 N GLY A 82 18.559 13.356 -14.619 1.00 0.00 N ATOM 963 CA GLY A 82 19.488 13.022 -15.693 1.00 0.00 C ATOM 964 C GLY A 82 20.953 13.046 -15.243 1.00 0.00 C ATOM 965 O GLY A 82 21.705 12.151 -15.610 1.00 0.00 O ATOM 0 H GLY A 82 18.027 14.209 -14.791 1.00 0.00 H new ATOM 0 HA2 GLY A 82 19.248 12.031 -16.079 1.00 0.00 H new ATOM 0 HA3 GLY A 82 19.354 13.726 -16.515 1.00 0.00 H new ATOM 969 N GLU A 83 21.369 13.988 -14.391 1.00 0.00 N ATOM 970 CA GLU A 83 22.766 14.064 -13.935 1.00 0.00 C ATOM 971 C GLU A 83 23.130 12.958 -12.922 1.00 0.00 C ATOM 972 O GLU A 83 24.273 12.491 -12.930 1.00 0.00 O ATOM 973 CB GLU A 83 23.117 15.497 -13.485 1.00 0.00 C ATOM 974 CG GLU A 83 23.018 15.813 -11.985 1.00 0.00 C ATOM 975 CD GLU A 83 24.337 15.553 -11.223 1.00 0.00 C ATOM 976 OE1 GLU A 83 25.355 16.229 -11.511 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.360 14.703 -10.300 1.00 0.00 O ATOM 0 H GLU A 83 20.761 14.709 -14.002 1.00 0.00 H new ATOM 0 HA GLU A 83 23.413 13.850 -14.785 1.00 0.00 H new ATOM 0 HB2 GLU A 83 24.136 15.711 -13.807 1.00 0.00 H new ATOM 0 HB3 GLU A 83 22.463 16.187 -14.018 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.731 16.857 -11.858 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.225 15.209 -11.544 1.00 0.00 H new ATOM 984 N LEU A 84 22.166 12.474 -12.118 1.00 0.00 N ATOM 985 CA LEU A 84 22.382 11.355 -11.188 1.00 0.00 C ATOM 986 C LEU A 84 22.292 9.976 -11.872 1.00 0.00 C ATOM 987 O LEU A 84 23.038 9.071 -11.490 1.00 0.00 O ATOM 988 CB LEU A 84 21.506 11.513 -9.920 1.00 0.00 C ATOM 989 CG LEU A 84 20.015 11.133 -10.021 1.00 0.00 C ATOM 990 CD1 LEU A 84 19.750 9.638 -9.814 1.00 0.00 C ATOM 991 CD2 LEU A 84 19.186 11.845 -8.948 1.00 0.00 C ATOM 0 H LEU A 84 21.217 12.848 -12.096 1.00 0.00 H new ATOM 0 HA LEU A 84 23.415 11.397 -10.843 1.00 0.00 H new ATOM 0 HB2 LEU A 84 21.952 10.911 -9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 84 21.565 12.553 -9.600 1.00 0.00 H new ATOM 0 HG LEU A 84 19.732 11.429 -11.031 1.00 0.00 H new ATOM 0 HD11 LEU A 84 18.681 9.443 -9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 84 20.284 9.065 -10.572 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.096 9.341 -8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 84 18.139 11.556 -9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.550 11.562 -7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.278 12.924 -9.073 1.00 0.00 H new ATOM 1003 N LEU A 85 21.419 9.800 -12.881 1.00 0.00 N ATOM 1004 CA LEU A 85 21.213 8.508 -13.567 1.00 0.00 C ATOM 1005 C LEU A 85 21.952 8.415 -14.925 1.00 0.00 C ATOM 1006 O LEU A 85 21.965 7.367 -15.570 1.00 0.00 O ATOM 1007 CB LEU A 85 19.684 8.309 -13.708 1.00 0.00 C ATOM 1008 CG LEU A 85 19.089 6.899 -13.507 1.00 0.00 C ATOM 1009 CD1 LEU A 85 19.658 5.802 -14.396 1.00 0.00 C ATOM 1010 CD2 LEU A 85 19.223 6.445 -12.055 1.00 0.00 C ATOM 0 H LEU A 85 20.834 10.552 -13.246 1.00 0.00 H new ATOM 0 HA LEU A 85 21.649 7.702 -12.976 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.199 8.975 -12.995 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.399 8.647 -14.704 1.00 0.00 H new ATOM 0 HG LEU A 85 18.046 7.027 -13.798 1.00 0.00 H new ATOM 0 HD11 LEU A 85 19.166 4.857 -14.167 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.487 6.056 -15.442 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.729 5.707 -14.216 1.00 0.00 H new ATOM 0 HD21 LEU A 85 18.795 5.449 -11.944 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.277 6.420 -11.777 1.00 0.00 H new ATOM 0 HD23 LEU A 85 18.693 7.142 -11.406 1.00 0.00 H new ATOM 1022 N GLY A 86 22.509 9.520 -15.425 1.00 0.00 N ATOM 1023 CA GLY A 86 23.049 9.665 -16.788 1.00 0.00 C ATOM 1024 C GLY A 86 21.959 9.954 -17.837 1.00 0.00 C ATOM 1025 O GLY A 86 22.230 10.593 -18.857 1.00 0.00 O ATOM 0 H GLY A 86 22.602 10.374 -14.875 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.781 10.473 -16.799 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.578 8.752 -17.063 1.00 0.00 H new ATOM 1029 N ARG A 87 20.721 9.503 -17.570 1.00 0.00 N ATOM 1030 CA ARG A 87 19.499 9.667 -18.381 1.00 0.00 C ATOM 1031 C ARG A 87 18.239 9.367 -17.557 1.00 0.00 C ATOM 1032 O ARG A 87 18.221 8.398 -16.807 1.00 0.00 O ATOM 1033 CB ARG A 87 19.561 8.752 -19.633 1.00 0.00 C ATOM 1034 CG ARG A 87 19.422 7.224 -19.430 1.00 0.00 C ATOM 1035 CD ARG A 87 20.379 6.630 -18.387 1.00 0.00 C ATOM 1036 NE ARG A 87 20.336 5.157 -18.360 1.00 0.00 N ATOM 1037 CZ ARG A 87 21.160 4.358 -17.703 1.00 0.00 C ATOM 1038 NH1 ARG A 87 22.047 4.809 -16.860 1.00 0.00 N ATOM 1039 NH2 ARG A 87 21.103 3.069 -17.881 1.00 0.00 N ATOM 0 H ARG A 87 20.533 8.975 -16.718 1.00 0.00 H new ATOM 0 HA ARG A 87 19.444 10.706 -18.705 1.00 0.00 H new ATOM 0 HB2 ARG A 87 18.774 9.070 -20.317 1.00 0.00 H new ATOM 0 HB3 ARG A 87 20.512 8.936 -20.133 1.00 0.00 H new ATOM 0 HG2 ARG A 87 18.397 7.002 -19.132 1.00 0.00 H new ATOM 0 HG3 ARG A 87 19.592 6.727 -20.385 1.00 0.00 H new ATOM 0 HD2 ARG A 87 21.396 6.957 -18.603 1.00 0.00 H new ATOM 0 HD3 ARG A 87 20.122 7.016 -17.401 1.00 0.00 H new ATOM 0 HE ARG A 87 19.597 4.709 -18.902 1.00 0.00 H new ATOM 0 HH11 ARG A 87 22.123 5.811 -16.688 1.00 0.00 H new ATOM 0 HH12 ARG A 87 22.664 4.159 -16.373 1.00 0.00 H new ATOM 0 HH21 ARG A 87 20.422 2.673 -18.529 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.740 2.455 -17.373 1.00 0.00 H new ATOM 1053 N GLN A 88 17.181 10.160 -17.703 1.00 0.00 N ATOM 1054 CA GLN A 88 15.845 9.854 -17.161 1.00 0.00 C ATOM 1055 C GLN A 88 14.777 10.357 -18.141 1.00 0.00 C ATOM 1056 O GLN A 88 14.069 11.328 -17.881 1.00 0.00 O ATOM 1057 CB GLN A 88 15.631 10.377 -15.720 1.00 0.00 C ATOM 1058 CG GLN A 88 16.228 9.466 -14.622 1.00 0.00 C ATOM 1059 CD GLN A 88 15.404 9.358 -13.331 1.00 0.00 C ATOM 1060 OE1 GLN A 88 14.366 9.968 -13.132 1.00 0.00 O ATOM 1061 NE2 GLN A 88 15.839 8.559 -12.376 1.00 0.00 N ATOM 0 H GLN A 88 17.220 11.046 -18.206 1.00 0.00 H new ATOM 0 HA GLN A 88 15.756 8.772 -17.067 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.075 11.369 -15.635 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.562 10.490 -15.541 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.356 8.465 -15.035 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.221 9.836 -14.368 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.703 8.032 -12.506 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.311 8.468 -11.508 1.00 0.00 H new ATOM 1070 N SER A 89 14.684 9.705 -19.301 1.00 0.00 N ATOM 1071 CA SER A 89 13.572 9.915 -20.244 1.00 0.00 C ATOM 1072 C SER A 89 12.624 8.718 -20.165 1.00 0.00 C ATOM 1073 O SER A 89 13.049 7.568 -20.301 1.00 0.00 O ATOM 1074 CB SER A 89 14.023 10.172 -21.687 1.00 0.00 C ATOM 1075 OG SER A 89 15.308 10.780 -21.744 1.00 0.00 O ATOM 0 H SER A 89 15.370 9.020 -19.617 1.00 0.00 H new ATOM 0 HA SER A 89 13.056 10.827 -19.944 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.044 9.229 -22.234 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.296 10.814 -22.185 1.00 0.00 H new ATOM 0 HG SER A 89 15.210 11.733 -21.949 1.00 0.00 H new ATOM 1081 N PHE A 90 11.347 8.984 -19.906 1.00 0.00 N ATOM 1082 CA PHE A 90 10.345 7.967 -19.573 1.00 0.00 C ATOM 1083 C PHE A 90 8.929 8.440 -19.867 1.00 0.00 C ATOM 1084 O PHE A 90 8.630 9.637 -19.863 1.00 0.00 O ATOM 1085 CB PHE A 90 10.464 7.590 -18.082 1.00 0.00 C ATOM 1086 CG PHE A 90 10.151 8.719 -17.110 1.00 0.00 C ATOM 1087 CD1 PHE A 90 11.156 9.634 -16.745 1.00 0.00 C ATOM 1088 CD2 PHE A 90 8.859 8.852 -16.561 1.00 0.00 C ATOM 1089 CE1 PHE A 90 10.880 10.666 -15.832 1.00 0.00 C ATOM 1090 CE2 PHE A 90 8.583 9.885 -15.645 1.00 0.00 C ATOM 1091 CZ PHE A 90 9.594 10.791 -15.279 1.00 0.00 C ATOM 0 H PHE A 90 10.968 9.931 -19.921 1.00 0.00 H new ATOM 0 HA PHE A 90 10.540 7.096 -20.199 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.791 6.757 -17.878 1.00 0.00 H new ATOM 0 HB3 PHE A 90 11.477 7.236 -17.891 1.00 0.00 H new ATOM 0 HD1 PHE A 90 12.145 9.543 -17.169 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.080 8.160 -16.844 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.657 11.364 -15.555 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.594 9.982 -15.223 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.383 11.582 -14.574 1.00 0.00 H new ATOM 1101 N SER A 91 8.047 7.466 -20.072 1.00 0.00 N ATOM 1102 CA SER A 91 6.618 7.715 -20.197 1.00 0.00 C ATOM 1103 C SER A 91 5.891 7.227 -18.950 1.00 0.00 C ATOM 1104 O SER A 91 6.133 6.131 -18.446 1.00 0.00 O ATOM 1105 CB SER A 91 6.128 7.026 -21.469 1.00 0.00 C ATOM 1106 OG SER A 91 6.474 7.805 -22.604 1.00 0.00 O ATOM 0 H SER A 91 8.305 6.483 -20.156 1.00 0.00 H new ATOM 0 HA SER A 91 6.410 8.782 -20.278 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.571 6.034 -21.549 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.047 6.890 -21.426 1.00 0.00 H new ATOM 0 HG SER A 91 6.159 7.357 -23.417 1.00 0.00 H new ATOM 1112 N VAL A 92 4.967 8.054 -18.463 1.00 0.00 N ATOM 1113 CA VAL A 92 4.319 7.874 -17.153 1.00 0.00 C ATOM 1114 C VAL A 92 3.209 6.811 -17.123 1.00 0.00 C ATOM 1115 O VAL A 92 2.819 6.340 -16.055 1.00 0.00 O ATOM 1116 CB VAL A 92 3.931 9.223 -16.500 1.00 0.00 C ATOM 1117 CG1 VAL A 92 4.261 9.135 -15.018 1.00 0.00 C ATOM 1118 CG2 VAL A 92 4.716 10.438 -17.020 1.00 0.00 C ATOM 0 H VAL A 92 4.640 8.878 -18.968 1.00 0.00 H new ATOM 0 HA VAL A 92 5.084 7.440 -16.509 1.00 0.00 H new ATOM 0 HB VAL A 92 2.876 9.373 -16.731 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.998 10.074 -14.530 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.695 8.320 -14.567 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.328 8.948 -14.893 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.377 11.337 -16.506 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.780 10.292 -16.832 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.549 10.548 -18.092 1.00 0.00 H new ATOM 1128 N LYS A 93 2.739 6.382 -18.304 1.00 0.00 N ATOM 1129 CA LYS A 93 1.764 5.287 -18.495 1.00 0.00 C ATOM 1130 C LYS A 93 2.339 3.870 -18.313 1.00 0.00 C ATOM 1131 O LYS A 93 1.593 2.891 -18.333 1.00 0.00 O ATOM 1132 CB LYS A 93 1.093 5.445 -19.872 1.00 0.00 C ATOM 1133 CG LYS A 93 2.049 5.220 -21.059 1.00 0.00 C ATOM 1134 CD LYS A 93 1.314 5.348 -22.400 1.00 0.00 C ATOM 1135 CE LYS A 93 2.284 5.070 -23.557 1.00 0.00 C ATOM 1136 NZ LYS A 93 1.597 5.132 -24.877 1.00 0.00 N ATOM 0 H LYS A 93 3.035 6.800 -19.186 1.00 0.00 H new ATOM 0 HA LYS A 93 1.027 5.382 -17.697 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.265 4.740 -19.945 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.667 6.446 -19.945 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.861 5.945 -21.017 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.500 4.231 -20.982 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.481 4.646 -22.436 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.893 6.348 -22.500 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.096 5.797 -23.534 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.734 4.086 -23.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.283 4.939 -25.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.839 4.421 -24.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.189 6.079 -25.012 1.00 0.00 H new ATOM 1150 N ASP A 94 3.659 3.760 -18.168 1.00 0.00 N ATOM 1151 CA ASP A 94 4.434 2.521 -18.131 1.00 0.00 C ATOM 1152 C ASP A 94 5.121 2.357 -16.753 1.00 0.00 C ATOM 1153 O ASP A 94 6.183 2.938 -16.522 1.00 0.00 O ATOM 1154 CB ASP A 94 5.412 2.513 -19.318 1.00 0.00 C ATOM 1155 CG ASP A 94 6.049 1.131 -19.571 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.699 0.142 -18.882 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.886 1.026 -20.499 1.00 0.00 O ATOM 0 H ASP A 94 4.252 4.584 -18.067 1.00 0.00 H new ATOM 0 HA ASP A 94 3.786 1.652 -18.241 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.885 2.833 -20.217 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.202 3.242 -19.135 1.00 0.00 H new ATOM 1162 N PRO A 95 4.525 1.619 -15.796 1.00 0.00 N ATOM 1163 CA PRO A 95 5.069 1.434 -14.445 1.00 0.00 C ATOM 1164 C PRO A 95 6.434 0.724 -14.378 1.00 0.00 C ATOM 1165 O PRO A 95 7.203 0.998 -13.457 1.00 0.00 O ATOM 1166 CB PRO A 95 3.992 0.658 -13.672 1.00 0.00 C ATOM 1167 CG PRO A 95 3.137 0.011 -14.762 1.00 0.00 C ATOM 1168 CD PRO A 95 3.186 1.064 -15.863 1.00 0.00 C ATOM 0 HA PRO A 95 5.284 2.410 -14.011 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.435 -0.092 -13.017 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.399 1.321 -13.042 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.548 -0.944 -15.091 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.119 -0.180 -14.424 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.991 0.622 -16.840 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.431 1.835 -15.705 1.00 0.00 H new ATOM 1176 N SER A 96 6.783 -0.151 -15.328 1.00 0.00 N ATOM 1177 CA SER A 96 8.063 -0.887 -15.305 1.00 0.00 C ATOM 1178 C SER A 96 9.306 0.025 -15.299 1.00 0.00 C ATOM 1179 O SER A 96 10.119 -0.103 -14.377 1.00 0.00 O ATOM 1180 CB SER A 96 8.153 -1.901 -16.451 1.00 0.00 C ATOM 1181 OG SER A 96 7.151 -2.900 -16.304 1.00 0.00 O ATOM 0 H SER A 96 6.194 -0.372 -16.131 1.00 0.00 H new ATOM 0 HA SER A 96 8.065 -1.423 -14.356 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.031 -1.392 -17.407 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.140 -2.364 -16.460 1.00 0.00 H new ATOM 0 HG SER A 96 7.217 -3.541 -17.042 1.00 0.00 H new ATOM 1187 N PRO A 97 9.476 0.979 -16.243 1.00 0.00 N ATOM 1188 CA PRO A 97 10.588 1.927 -16.198 1.00 0.00 C ATOM 1189 C PRO A 97 10.521 2.882 -14.995 1.00 0.00 C ATOM 1190 O PRO A 97 11.571 3.292 -14.502 1.00 0.00 O ATOM 1191 CB PRO A 97 10.556 2.683 -17.534 1.00 0.00 C ATOM 1192 CG PRO A 97 9.103 2.562 -17.984 1.00 0.00 C ATOM 1193 CD PRO A 97 8.728 1.172 -17.477 1.00 0.00 C ATOM 0 HA PRO A 97 11.530 1.396 -16.063 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.852 3.725 -17.412 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.238 2.241 -18.260 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.475 3.339 -17.548 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.003 2.642 -19.066 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.655 1.098 -17.298 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.982 0.407 -18.211 1.00 0.00 H new ATOM 1201 N LEU A 98 9.327 3.202 -14.467 1.00 0.00 N ATOM 1202 CA LEU A 98 9.189 3.999 -13.248 1.00 0.00 C ATOM 1203 C LEU A 98 9.808 3.280 -12.045 1.00 0.00 C ATOM 1204 O LEU A 98 10.664 3.854 -11.372 1.00 0.00 O ATOM 1205 CB LEU A 98 7.710 4.345 -12.996 1.00 0.00 C ATOM 1206 CG LEU A 98 7.067 5.323 -13.996 1.00 0.00 C ATOM 1207 CD1 LEU A 98 5.644 5.652 -13.549 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.876 6.609 -14.113 1.00 0.00 C ATOM 0 H LEU A 98 8.438 2.914 -14.875 1.00 0.00 H new ATOM 0 HA LEU A 98 9.735 4.932 -13.385 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.135 3.419 -13.002 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.622 4.769 -11.996 1.00 0.00 H new ATOM 0 HG LEU A 98 7.048 4.843 -14.975 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.191 6.344 -14.258 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.054 4.736 -13.509 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.670 6.111 -12.560 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.395 7.278 -14.827 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.929 7.095 -13.139 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.883 6.375 -14.457 1.00 0.00 H new ATOM 1220 N TYR A 99 9.452 2.012 -11.815 1.00 0.00 N ATOM 1221 CA TYR A 99 10.066 1.202 -10.764 1.00 0.00 C ATOM 1222 C TYR A 99 11.579 1.035 -10.971 1.00 0.00 C ATOM 1223 O TYR A 99 12.327 1.155 -10.004 1.00 0.00 O ATOM 1224 CB TYR A 99 9.368 -0.164 -10.678 1.00 0.00 C ATOM 1225 CG TYR A 99 8.000 -0.144 -10.014 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.870 0.295 -8.680 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.862 -0.598 -10.712 1.00 0.00 C ATOM 1228 CE1 TYR A 99 6.607 0.305 -8.056 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.598 -0.593 -10.091 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.466 -0.136 -8.760 1.00 0.00 C ATOM 1231 OH TYR A 99 4.249 -0.126 -8.147 1.00 0.00 O ATOM 0 H TYR A 99 8.734 1.523 -12.350 1.00 0.00 H new ATOM 0 HA TYR A 99 9.935 1.728 -9.818 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.261 -0.565 -11.686 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.012 -0.851 -10.129 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.742 0.625 -8.135 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.960 -0.951 -11.728 1.00 0.00 H new ATOM 0 HE1 TYR A 99 6.512 0.651 -7.037 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.729 -0.938 -10.632 1.00 0.00 H new ATOM 0 HH TYR A 99 3.567 -0.459 -8.768 1.00 0.00 H new ATOM 1241 N ASP A 100 12.050 0.823 -12.205 1.00 0.00 N ATOM 1242 CA ASP A 100 13.482 0.669 -12.503 1.00 0.00 C ATOM 1243 C ASP A 100 14.305 1.918 -12.142 1.00 0.00 C ATOM 1244 O ASP A 100 15.304 1.821 -11.427 1.00 0.00 O ATOM 1245 CB ASP A 100 13.666 0.330 -13.986 1.00 0.00 C ATOM 1246 CG ASP A 100 15.120 -0.074 -14.276 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.487 -1.248 -14.034 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.918 0.779 -14.730 1.00 0.00 O ATOM 0 H ASP A 100 11.450 0.753 -13.027 1.00 0.00 H new ATOM 0 HA ASP A 100 13.855 -0.145 -11.882 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.995 -0.483 -14.264 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.394 1.191 -14.597 1.00 0.00 H new ATOM 1253 N MET A 101 13.857 3.098 -12.584 1.00 0.00 N ATOM 1254 CA MET A 101 14.479 4.386 -12.242 1.00 0.00 C ATOM 1255 C MET A 101 14.462 4.655 -10.734 1.00 0.00 C ATOM 1256 O MET A 101 15.487 5.014 -10.154 1.00 0.00 O ATOM 1257 CB MET A 101 13.707 5.532 -12.895 1.00 0.00 C ATOM 1258 CG MET A 101 13.892 5.697 -14.403 1.00 0.00 C ATOM 1259 SD MET A 101 13.135 7.223 -15.037 1.00 0.00 S ATOM 1260 CE MET A 101 11.531 7.200 -14.173 1.00 0.00 C ATOM 0 H MET A 101 13.045 3.189 -13.195 1.00 0.00 H new ATOM 0 HA MET A 101 15.508 4.332 -12.598 1.00 0.00 H new ATOM 0 HB2 MET A 101 12.645 5.388 -12.694 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.000 6.463 -12.410 1.00 0.00 H new ATOM 0 HG2 MET A 101 14.957 5.700 -14.637 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.456 4.839 -14.915 1.00 0.00 H new ATOM 0 HE1 MET A 101 10.889 7.983 -14.576 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.054 6.230 -14.316 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.689 7.373 -13.108 1.00 0.00 H new ATOM 1270 N LEU A 102 13.300 4.501 -10.093 1.00 0.00 N ATOM 1271 CA LEU A 102 13.130 4.798 -8.673 1.00 0.00 C ATOM 1272 C LEU A 102 13.945 3.847 -7.791 1.00 0.00 C ATOM 1273 O LEU A 102 14.663 4.326 -6.921 1.00 0.00 O ATOM 1274 CB LEU A 102 11.637 4.850 -8.293 1.00 0.00 C ATOM 1275 CG LEU A 102 10.987 6.244 -8.449 1.00 0.00 C ATOM 1276 CD1 LEU A 102 11.064 6.861 -9.848 1.00 0.00 C ATOM 1277 CD2 LEU A 102 9.518 6.144 -8.045 1.00 0.00 C ATOM 0 H LEU A 102 12.451 4.166 -10.548 1.00 0.00 H new ATOM 0 HA LEU A 102 13.533 5.793 -8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.092 4.137 -8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.526 4.524 -7.259 1.00 0.00 H new ATOM 0 HG LEU A 102 11.564 6.907 -7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.578 7.837 -9.843 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.108 6.978 -10.137 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.561 6.209 -10.562 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.045 7.120 -8.150 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.012 5.425 -8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.447 5.816 -7.008 1.00 0.00 H new ATOM 1289 N ARG A 103 13.982 2.539 -8.078 1.00 0.00 N ATOM 1290 CA ARG A 103 14.871 1.577 -7.383 1.00 0.00 C ATOM 1291 C ARG A 103 16.363 1.938 -7.466 1.00 0.00 C ATOM 1292 O ARG A 103 17.146 1.495 -6.625 1.00 0.00 O ATOM 1293 CB ARG A 103 14.622 0.161 -7.932 1.00 0.00 C ATOM 1294 CG ARG A 103 13.335 -0.430 -7.339 1.00 0.00 C ATOM 1295 CD ARG A 103 12.828 -1.634 -8.134 1.00 0.00 C ATOM 1296 NE ARG A 103 11.663 -2.222 -7.449 1.00 0.00 N ATOM 1297 CZ ARG A 103 10.818 -3.129 -7.898 1.00 0.00 C ATOM 1298 NH1 ARG A 103 10.904 -3.638 -9.093 1.00 0.00 N ATOM 1299 NH2 ARG A 103 9.879 -3.572 -7.118 1.00 0.00 N ATOM 0 H ARG A 103 13.399 2.110 -8.797 1.00 0.00 H new ATOM 0 HA ARG A 103 14.619 1.621 -6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.546 0.195 -9.019 1.00 0.00 H new ATOM 0 HB3 ARG A 103 15.468 -0.482 -7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.518 -0.730 -6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.562 0.338 -7.316 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.553 -1.327 -9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.619 -2.378 -8.232 1.00 0.00 H new ATOM 0 HE ARG A 103 11.487 -1.883 -6.503 1.00 0.00 H new ATOM 0 HH11 ARG A 103 11.647 -3.337 -9.723 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.228 -4.338 -9.399 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.799 -3.218 -6.165 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.222 -4.274 -7.459 1.00 0.00 H new ATOM 1313 N LYS A 104 16.743 2.770 -8.444 1.00 0.00 N ATOM 1314 CA LYS A 104 18.096 3.321 -8.628 1.00 0.00 C ATOM 1315 C LYS A 104 18.300 4.725 -8.023 1.00 0.00 C ATOM 1316 O LYS A 104 19.457 5.125 -7.885 1.00 0.00 O ATOM 1317 CB LYS A 104 18.451 3.269 -10.126 1.00 0.00 C ATOM 1318 CG LYS A 104 18.600 1.822 -10.626 1.00 0.00 C ATOM 1319 CD LYS A 104 18.672 1.754 -12.157 1.00 0.00 C ATOM 1320 CE LYS A 104 18.734 0.282 -12.582 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.561 0.122 -14.050 1.00 0.00 N ATOM 0 H LYS A 104 16.091 3.092 -9.159 1.00 0.00 H new ATOM 0 HA LYS A 104 18.787 2.697 -8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.676 3.775 -10.701 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.381 3.811 -10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.501 1.381 -10.200 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.757 1.227 -10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.801 2.238 -12.598 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.551 2.289 -12.518 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.691 -0.143 -12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.958 -0.279 -12.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 18.592 -0.888 -14.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.644 0.520 -14.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.326 0.622 -14.546 1.00 0.00 H new ATOM 1335 N ASN A 105 17.246 5.470 -7.638 1.00 0.00 N ATOM 1336 CA ASN A 105 17.382 6.841 -7.090 1.00 0.00 C ATOM 1337 C ASN A 105 16.738 7.089 -5.703 1.00 0.00 C ATOM 1338 O ASN A 105 17.082 8.054 -5.021 1.00 0.00 O ATOM 1339 CB ASN A 105 16.937 7.841 -8.181 1.00 0.00 C ATOM 1340 CG ASN A 105 15.452 8.153 -8.300 1.00 0.00 C ATOM 1341 OD1 ASN A 105 14.595 7.625 -7.619 1.00 0.00 O ATOM 1342 ND2 ASN A 105 15.104 9.077 -9.168 1.00 0.00 N ATOM 0 H ASN A 105 16.281 5.145 -7.696 1.00 0.00 H new ATOM 0 HA ASN A 105 18.434 6.996 -6.852 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.463 8.780 -8.008 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.276 7.458 -9.144 1.00 0.00 H new ATOM 0 HD21 ASN A 105 14.124 9.343 -9.264 1.00 0.00 H new ATOM 0 HD22 ASN A 105 15.814 9.528 -9.745 1.00 0.00 H new ATOM 1349 N LEU A 106 15.850 6.208 -5.253 1.00 0.00 N ATOM 1350 CA LEU A 106 15.181 6.208 -3.954 1.00 0.00 C ATOM 1351 C LEU A 106 15.533 4.908 -3.214 1.00 0.00 C ATOM 1352 O LEU A 106 15.514 3.827 -3.804 1.00 0.00 O ATOM 1353 CB LEU A 106 13.663 6.353 -4.200 1.00 0.00 C ATOM 1354 CG LEU A 106 12.764 6.262 -2.952 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.992 7.420 -1.979 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.297 6.295 -3.373 1.00 0.00 C ATOM 0 H LEU A 106 15.557 5.418 -5.827 1.00 0.00 H new ATOM 0 HA LEU A 106 15.508 7.038 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.484 7.313 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.354 5.580 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 106 13.019 5.328 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.333 7.307 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.030 7.416 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.776 8.364 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.663 6.230 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.091 7.226 -3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.088 5.452 -4.031 1.00 0.00 H new