USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 HIS : no HE2:sc= -1.93! C(o=-1.2!,f=-4.2!) USER MOD Set 1.2: A 94 SER OG : rot 180:sc= 0.695 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 0.693 K(o=1.9,f=-4.8!) USER MOD Set 2.2: A 119 THR OG1 : rot 88:sc= 1.23 USER MOD Set 3.1: A 64 MET CE :methyl 167:sc= -0.132 (180deg=-0.199) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.14 K(o=1,f=-0.39) USER MOD Set 4.1: A 57 TYR OH : rot 16:sc= 0.0715 USER MOD Set 4.2: A 61 SER OG : rot 17:sc= 0.484 USER MOD Set 4.3: A 65 GLN : amide:sc= 0.536 X(o=1.1,f=1.3) USER MOD Set 5.1: A 28 HIS : no HD1:sc= 1.1 K(o=2.5,f=-5.3!) USER MOD Set 5.2: A 40 SER OG : rot -125:sc= 1.36 USER MOD Set 6.1: A 22 TYR OH : rot -28:sc= 0.908 USER MOD Set 6.2: A 102 HIS :FLIP no HD1:sc= -0.195 F(o=0.85,f=1.6) USER MOD Set 6.3: A 105 SER OG : rot -166:sc= 0.85 USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= 1.2 (180deg=1.07) USER MOD Single : A 29 SER OG : rot 58:sc= 1.12 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 1.38 (180deg=1.37) USER MOD Single : A 47 TYR OH : rot 180:sc= 1.32 USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00425) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= 1.21 (180deg=0.61) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.201 USER MOD Single : A 71 CYS SG : rot 100:sc= -1.31 USER MOD Single : A 73 CYS SG : rot 158:sc= 2.07 USER MOD Single : A 80 SER OG : rot -100:sc= 0.259 USER MOD Single : A 91 TYR OH : rot 180:sc= 0.504 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 70:sc= -0.0513 USER MOD Single : A 101 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 106 THR OG1 : rot -73:sc= 0.98 USER MOD Single : A 108 LYS NZ :NH3+ -108:sc= 1.49 (180deg=-0.312) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N ASP A 5 7.866 10.729 4.846 1.00 0.00 N ATOM 57 CA ASP A 5 6.778 10.547 3.882 1.00 0.00 C ATOM 58 C ASP A 5 7.346 10.546 2.464 1.00 0.00 C ATOM 59 O ASP A 5 8.392 11.148 2.215 1.00 0.00 O ATOM 60 CB ASP A 5 5.751 11.679 4.040 1.00 0.00 C ATOM 61 CG ASP A 5 4.606 11.527 3.030 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.682 10.722 3.282 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.653 12.183 1.968 1.00 0.00 O ATOM 0 HA ASP A 5 6.284 9.594 4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.350 11.672 5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.241 12.642 3.897 1.00 0.00 H new ATOM 68 N LEU A 6 6.654 9.882 1.533 1.00 0.00 N ATOM 69 CA LEU A 6 7.048 9.736 0.133 1.00 0.00 C ATOM 70 C LEU A 6 7.293 11.074 -0.577 1.00 0.00 C ATOM 71 O LEU A 6 8.079 11.120 -1.528 1.00 0.00 O ATOM 72 CB LEU A 6 5.949 8.959 -0.619 1.00 0.00 C ATOM 73 CG LEU A 6 5.836 7.456 -0.290 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.599 6.869 -0.978 1.00 0.00 C ATOM 75 CD2 LEU A 6 7.076 6.668 -0.726 1.00 0.00 C ATOM 0 H LEU A 6 5.772 9.415 1.744 1.00 0.00 H new ATOM 0 HA LEU A 6 7.995 9.197 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.989 9.430 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.126 9.064 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 6 5.750 7.368 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.522 5.807 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.706 7.385 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.688 6.997 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.946 5.616 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.210 6.767 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.955 7.059 -0.213 1.00 0.00 H new ATOM 87 N ALA A 7 6.638 12.160 -0.149 1.00 0.00 N ATOM 88 CA ALA A 7 6.825 13.483 -0.724 1.00 0.00 C ATOM 89 C ALA A 7 8.181 14.101 -0.352 1.00 0.00 C ATOM 90 O ALA A 7 8.653 14.992 -1.059 1.00 0.00 O ATOM 91 CB ALA A 7 5.691 14.408 -0.268 1.00 0.00 C ATOM 0 H ALA A 7 5.960 12.137 0.612 1.00 0.00 H new ATOM 0 HA ALA A 7 6.808 13.371 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.833 15.399 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.735 14.002 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.697 14.482 0.819 1.00 0.00 H new ATOM 97 N LEU A 8 8.802 13.664 0.753 1.00 0.00 N ATOM 98 CA LEU A 8 10.074 14.220 1.224 1.00 0.00 C ATOM 99 C LEU A 8 11.252 13.687 0.404 1.00 0.00 C ATOM 100 O LEU A 8 12.325 14.292 0.404 1.00 0.00 O ATOM 101 CB LEU A 8 10.310 13.881 2.708 1.00 0.00 C ATOM 102 CG LEU A 8 9.209 14.336 3.685 1.00 0.00 C ATOM 103 CD1 LEU A 8 9.619 13.979 5.118 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.920 15.840 3.602 1.00 0.00 C ATOM 0 H LEU A 8 8.436 12.917 1.343 1.00 0.00 H new ATOM 0 HA LEU A 8 10.011 15.301 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.427 12.801 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.253 14.331 3.018 1.00 0.00 H new ATOM 0 HG LEU A 8 8.295 13.815 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.841 14.301 5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.754 12.901 5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.554 14.482 5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.136 16.100 4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.825 16.398 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.593 16.093 2.593 1.00 0.00 H new ATOM 116 N ILE A 9 11.072 12.546 -0.265 1.00 0.00 N ATOM 117 CA ILE A 9 12.109 11.878 -1.041 1.00 0.00 C ATOM 118 C ILE A 9 12.509 12.802 -2.211 1.00 0.00 C ATOM 119 O ILE A 9 11.606 13.334 -2.863 1.00 0.00 O ATOM 120 CB ILE A 9 11.569 10.513 -1.532 1.00 0.00 C ATOM 121 CG1 ILE A 9 11.206 9.622 -0.319 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.592 9.806 -2.440 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.590 8.274 -0.691 1.00 0.00 C ATOM 0 H ILE A 9 10.179 12.053 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 9 12.997 11.684 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 9 10.670 10.689 -2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 9 12.106 9.447 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.508 10.164 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.186 8.850 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.801 10.431 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.515 9.636 -1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.366 7.713 0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.670 8.437 -1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.294 7.709 -1.302 1.00 0.00 H new ATOM 135 N PRO A 10 13.814 12.997 -2.509 1.00 0.00 N ATOM 136 CA PRO A 10 14.267 13.670 -3.725 1.00 0.00 C ATOM 137 C PRO A 10 13.689 12.933 -4.940 1.00 0.00 C ATOM 138 O PRO A 10 14.094 11.808 -5.254 1.00 0.00 O ATOM 139 CB PRO A 10 15.802 13.679 -3.684 1.00 0.00 C ATOM 140 CG PRO A 10 16.129 13.437 -2.211 1.00 0.00 C ATOM 141 CD PRO A 10 14.957 12.597 -1.705 1.00 0.00 C ATOM 0 HA PRO A 10 13.922 14.701 -3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.224 12.901 -4.320 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.206 14.630 -4.032 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.077 12.911 -2.094 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.214 14.375 -1.662 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.161 11.532 -1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.774 12.778 -0.646 1.00 0.00 H new ATOM 149 N ASP A 11 12.705 13.551 -5.587 1.00 0.00 N ATOM 150 CA ASP A 11 11.879 12.912 -6.607 1.00 0.00 C ATOM 151 C ASP A 11 12.634 12.606 -7.903 1.00 0.00 C ATOM 152 O ASP A 11 12.396 11.585 -8.549 1.00 0.00 O ATOM 153 CB ASP A 11 10.677 13.816 -6.883 1.00 0.00 C ATOM 154 CG ASP A 11 9.566 13.033 -7.574 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.844 12.288 -6.874 1.00 0.00 O ATOM 156 OD2 ASP A 11 9.369 13.183 -8.795 1.00 0.00 O ATOM 0 H ASP A 11 12.455 14.525 -5.415 1.00 0.00 H new ATOM 0 HA ASP A 11 11.560 11.943 -6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.307 14.234 -5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.982 14.655 -7.509 1.00 0.00 H new ATOM 161 N VAL A 12 13.590 13.464 -8.256 1.00 0.00 N ATOM 162 CA VAL A 12 14.443 13.336 -9.427 1.00 0.00 C ATOM 163 C VAL A 12 15.821 13.831 -8.995 1.00 0.00 C ATOM 164 O VAL A 12 15.917 14.847 -8.300 1.00 0.00 O ATOM 165 CB VAL A 12 13.886 14.184 -10.598 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.781 14.111 -11.846 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.466 13.773 -11.016 1.00 0.00 C ATOM 0 H VAL A 12 13.796 14.300 -7.709 1.00 0.00 H new ATOM 0 HA VAL A 12 14.489 12.307 -9.783 1.00 0.00 H new ATOM 0 HB VAL A 12 13.866 15.203 -10.211 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.349 14.721 -12.639 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.776 14.483 -11.602 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.853 13.077 -12.182 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.132 14.404 -11.840 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.468 12.731 -11.335 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.789 13.893 -10.170 1.00 0.00 H new ATOM 177 N ASP A 13 16.880 13.137 -9.409 1.00 0.00 N ATOM 178 CA ASP A 13 18.249 13.617 -9.254 1.00 0.00 C ATOM 179 C ASP A 13 19.093 13.044 -10.389 1.00 0.00 C ATOM 180 O ASP A 13 19.419 11.856 -10.399 1.00 0.00 O ATOM 181 CB ASP A 13 18.832 13.272 -7.876 1.00 0.00 C ATOM 182 CG ASP A 13 20.284 13.758 -7.737 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.622 14.855 -8.235 1.00 0.00 O ATOM 184 OD2 ASP A 13 21.084 13.055 -7.082 1.00 0.00 O ATOM 0 H ASP A 13 16.811 12.225 -9.862 1.00 0.00 H new ATOM 0 HA ASP A 13 18.256 14.706 -9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 13 18.220 13.727 -7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.793 12.193 -7.724 1.00 0.00 H new ATOM 189 N ILE A 14 19.377 13.899 -11.371 1.00 0.00 N ATOM 190 CA ILE A 14 20.194 13.655 -12.556 1.00 0.00 C ATOM 191 C ILE A 14 20.948 14.963 -12.848 1.00 0.00 C ATOM 192 O ILE A 14 20.580 16.020 -12.324 1.00 0.00 O ATOM 193 CB ILE A 14 19.324 13.217 -13.767 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.282 14.287 -14.183 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.650 11.856 -13.510 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.540 13.955 -15.483 1.00 0.00 C ATOM 0 H ILE A 14 19.014 14.852 -11.356 1.00 0.00 H new ATOM 0 HA ILE A 14 20.893 12.837 -12.381 1.00 0.00 H new ATOM 0 HB ILE A 14 20.007 13.107 -14.609 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.554 14.404 -13.380 1.00 0.00 H new ATOM 0 HG13 ILE A 14 18.786 15.246 -14.298 1.00 0.00 H new ATOM 0 HG21 ILE A 14 18.049 11.578 -14.376 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.414 11.098 -13.341 1.00 0.00 H new ATOM 0 HG23 ILE A 14 18.009 11.928 -12.631 1.00 0.00 H new ATOM 0 HD11 ILE A 14 16.828 14.749 -15.709 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.257 13.868 -16.299 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.006 13.012 -15.367 1.00 0.00 H new ATOM 266 N PHE A 20 24.649 9.074 -20.068 1.00 0.00 N ATOM 267 CA PHE A 20 24.731 8.184 -18.907 1.00 0.00 C ATOM 268 C PHE A 20 23.451 7.349 -18.825 1.00 0.00 C ATOM 269 O PHE A 20 22.471 7.628 -19.519 1.00 0.00 O ATOM 270 CB PHE A 20 24.951 8.968 -17.599 1.00 0.00 C ATOM 271 CG PHE A 20 23.904 10.030 -17.307 1.00 0.00 C ATOM 272 CD1 PHE A 20 24.066 11.328 -17.817 1.00 0.00 C ATOM 273 CD2 PHE A 20 22.756 9.725 -16.551 1.00 0.00 C ATOM 274 CE1 PHE A 20 23.071 12.299 -17.618 1.00 0.00 C ATOM 275 CE2 PHE A 20 21.776 10.705 -16.321 1.00 0.00 C ATOM 276 CZ PHE A 20 21.926 11.991 -16.867 1.00 0.00 C ATOM 0 HA PHE A 20 25.592 7.528 -19.034 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.973 8.262 -16.769 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.930 9.445 -17.638 1.00 0.00 H new ATOM 0 HD1 PHE A 20 24.961 11.581 -18.366 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.628 8.732 -16.146 1.00 0.00 H new ATOM 0 HE1 PHE A 20 23.187 13.285 -18.044 1.00 0.00 H new ATOM 0 HE2 PHE A 20 20.907 10.470 -15.724 1.00 0.00 H new ATOM 0 HZ PHE A 20 21.163 12.739 -16.709 1.00 0.00 H new ATOM 286 N LYS A 21 23.447 6.315 -17.981 1.00 0.00 N ATOM 287 CA LYS A 21 22.305 5.413 -17.834 1.00 0.00 C ATOM 288 C LYS A 21 21.476 5.824 -16.625 1.00 0.00 C ATOM 289 O LYS A 21 21.994 6.434 -15.687 1.00 0.00 O ATOM 290 CB LYS A 21 22.789 3.964 -17.705 1.00 0.00 C ATOM 291 CG LYS A 21 23.463 3.460 -18.990 1.00 0.00 C ATOM 292 CD LYS A 21 24.034 2.055 -18.783 1.00 0.00 C ATOM 293 CE LYS A 21 24.820 1.604 -20.023 1.00 0.00 C ATOM 294 NZ LYS A 21 25.450 0.275 -19.830 1.00 0.00 N ATOM 0 H LYS A 21 24.237 6.080 -17.380 1.00 0.00 H new ATOM 0 HA LYS A 21 21.675 5.480 -18.721 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.492 3.890 -16.875 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.943 3.320 -17.464 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.740 3.448 -19.806 1.00 0.00 H new ATOM 0 HG3 LYS A 21 24.261 4.143 -19.281 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.686 2.046 -17.909 1.00 0.00 H new ATOM 0 HD3 LYS A 21 23.224 1.353 -18.584 1.00 0.00 H new ATOM 0 HE2 LYS A 21 24.151 1.566 -20.882 1.00 0.00 H new ATOM 0 HE3 LYS A 21 25.590 2.340 -20.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 26.117 0.091 -20.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 25.961 0.261 -18.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 24.714 -0.460 -19.824 1.00 0.00 H new ATOM 308 N TYR A 22 20.193 5.472 -16.640 1.00 0.00 N ATOM 309 CA TYR A 22 19.241 5.848 -15.608 1.00 0.00 C ATOM 310 C TYR A 22 18.345 4.639 -15.290 1.00 0.00 C ATOM 311 O TYR A 22 18.359 3.632 -16.012 1.00 0.00 O ATOM 312 CB TYR A 22 18.478 7.121 -16.044 1.00 0.00 C ATOM 313 CG TYR A 22 17.034 6.877 -16.408 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.726 6.246 -17.624 1.00 0.00 C ATOM 315 CD2 TYR A 22 16.028 7.123 -15.457 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.420 5.796 -17.861 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.718 6.680 -15.691 1.00 0.00 C ATOM 318 CZ TYR A 22 14.420 5.996 -16.887 1.00 0.00 C ATOM 319 OH TYR A 22 13.165 5.525 -17.099 1.00 0.00 O ATOM 0 H TYR A 22 19.782 4.908 -17.384 1.00 0.00 H new ATOM 0 HA TYR A 22 19.741 6.111 -14.676 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.520 7.852 -15.236 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.988 7.563 -16.900 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.492 6.108 -18.373 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.264 7.653 -14.546 1.00 0.00 H new ATOM 0 HE1 TYR A 22 15.180 5.297 -18.788 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.944 6.862 -14.960 1.00 0.00 H new ATOM 0 HH TYR A 22 12.985 5.495 -18.062 1.00 0.00 H new ATOM 329 N VAL A 23 17.571 4.728 -14.209 1.00 0.00 N ATOM 330 CA VAL A 23 16.604 3.724 -13.797 1.00 0.00 C ATOM 331 C VAL A 23 15.376 4.445 -13.218 1.00 0.00 C ATOM 332 O VAL A 23 15.482 5.566 -12.699 1.00 0.00 O ATOM 333 CB VAL A 23 17.296 2.735 -12.827 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.576 3.343 -11.447 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.527 1.420 -12.657 1.00 0.00 C ATOM 0 H VAL A 23 17.605 5.529 -13.579 1.00 0.00 H new ATOM 0 HA VAL A 23 16.242 3.121 -14.630 1.00 0.00 H new ATOM 0 HB VAL A 23 18.250 2.514 -13.306 1.00 0.00 H new ATOM 0 HG11 VAL A 23 18.062 2.600 -10.814 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.229 4.209 -11.557 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.637 3.652 -10.988 1.00 0.00 H new ATOM 0 HG21 VAL A 23 17.064 0.771 -11.965 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.533 1.628 -12.261 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.436 0.924 -13.623 1.00 0.00 H new ATOM 345 N LEU A 24 14.216 3.786 -13.295 1.00 0.00 N ATOM 346 CA LEU A 24 12.938 4.274 -12.795 1.00 0.00 C ATOM 347 C LEU A 24 12.552 3.322 -11.676 1.00 0.00 C ATOM 348 O LEU A 24 12.400 2.125 -11.932 1.00 0.00 O ATOM 349 CB LEU A 24 11.893 4.240 -13.925 1.00 0.00 C ATOM 350 CG LEU A 24 10.505 4.800 -13.543 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.570 6.297 -13.228 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.527 4.572 -14.699 1.00 0.00 C ATOM 0 H LEU A 24 14.144 2.864 -13.724 1.00 0.00 H new ATOM 0 HA LEU A 24 12.996 5.303 -12.439 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.277 4.807 -14.773 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.774 3.209 -14.259 1.00 0.00 H new ATOM 0 HG LEU A 24 10.166 4.277 -12.649 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.576 6.657 -12.963 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.250 6.464 -12.393 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.930 6.838 -14.103 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.547 4.967 -14.430 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.892 5.082 -15.590 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.445 3.504 -14.901 1.00 0.00 H new ATOM 364 N ILE A 25 12.424 3.812 -10.444 1.00 0.00 N ATOM 365 CA ILE A 25 12.214 2.947 -9.287 1.00 0.00 C ATOM 366 C ILE A 25 11.031 3.459 -8.474 1.00 0.00 C ATOM 367 O ILE A 25 10.916 4.652 -8.199 1.00 0.00 O ATOM 368 CB ILE A 25 13.546 2.646 -8.536 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.400 2.187 -7.070 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.704 3.653 -8.667 1.00 0.00 C ATOM 371 CD1 ILE A 25 13.245 3.289 -6.018 1.00 0.00 C ATOM 0 H ILE A 25 12.462 4.807 -10.222 1.00 0.00 H new ATOM 0 HA ILE A 25 11.911 1.945 -9.591 1.00 0.00 H new ATOM 0 HB ILE A 25 13.854 1.788 -9.134 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.534 1.529 -7.004 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.274 1.590 -6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.558 3.302 -8.088 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.989 3.745 -9.715 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.385 4.625 -8.291 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.152 2.838 -5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.120 3.938 -6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.353 3.876 -6.235 1.00 0.00 H new ATOM 383 N ARG A 26 10.114 2.543 -8.162 1.00 0.00 N ATOM 384 CA ARG A 26 8.951 2.758 -7.318 1.00 0.00 C ATOM 385 C ARG A 26 9.390 2.681 -5.867 1.00 0.00 C ATOM 386 O ARG A 26 10.251 1.865 -5.533 1.00 0.00 O ATOM 387 CB ARG A 26 7.911 1.675 -7.649 1.00 0.00 C ATOM 388 CG ARG A 26 6.646 1.744 -6.774 1.00 0.00 C ATOM 389 CD ARG A 26 5.458 1.016 -7.418 1.00 0.00 C ATOM 390 NE ARG A 26 4.952 1.785 -8.565 1.00 0.00 N ATOM 391 CZ ARG A 26 4.079 1.400 -9.498 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.506 0.200 -9.441 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.792 2.235 -10.491 1.00 0.00 N ATOM 0 H ARG A 26 10.170 1.586 -8.511 1.00 0.00 H new ATOM 0 HA ARG A 26 8.503 3.737 -7.491 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.623 1.768 -8.696 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.371 0.694 -7.531 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.855 1.303 -5.799 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.381 2.787 -6.602 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.765 0.022 -7.744 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.664 0.880 -6.684 1.00 0.00 H new ATOM 0 HE ARG A 26 5.315 2.734 -8.659 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.733 -0.438 -8.678 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.840 -0.082 -10.161 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.237 3.152 -10.531 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.127 1.959 -11.214 1.00 0.00 H new ATOM 407 N VAL A 27 8.739 3.453 -5.007 1.00 0.00 N ATOM 408 CA VAL A 27 8.912 3.457 -3.567 1.00 0.00 C ATOM 409 C VAL A 27 7.505 3.322 -2.987 1.00 0.00 C ATOM 410 O VAL A 27 6.601 4.052 -3.402 1.00 0.00 O ATOM 411 CB VAL A 27 9.587 4.771 -3.116 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.005 4.656 -1.646 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.827 5.154 -3.941 1.00 0.00 C ATOM 0 H VAL A 27 8.039 4.128 -5.316 1.00 0.00 H new ATOM 0 HA VAL A 27 9.555 2.647 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 27 8.844 5.554 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.481 5.584 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.124 4.472 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.707 3.830 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.242 6.088 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.575 4.365 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.544 5.281 -4.986 1.00 0.00 H new ATOM 423 N HIS A 28 7.313 2.382 -2.062 1.00 0.00 N ATOM 424 CA HIS A 28 6.050 2.143 -1.369 1.00 0.00 C ATOM 425 C HIS A 28 6.040 2.921 -0.049 1.00 0.00 C ATOM 426 O HIS A 28 7.105 3.210 0.508 1.00 0.00 O ATOM 427 CB HIS A 28 5.910 0.637 -1.109 1.00 0.00 C ATOM 428 CG HIS A 28 5.999 -0.198 -2.365 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.140 -0.153 -3.441 1.00 0.00 N ATOM 430 CD2 HIS A 28 6.966 -1.120 -2.668 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.569 -1.036 -4.357 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.689 -1.651 -3.934 1.00 0.00 N ATOM 0 H HIS A 28 8.055 1.748 -1.766 1.00 0.00 H new ATOM 0 HA HIS A 28 5.211 2.482 -1.977 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.689 0.321 -0.415 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.954 0.447 -0.622 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.800 -1.391 -2.038 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.083 -1.226 -5.302 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.226 -2.359 -4.434 1.00 0.00 H new ATOM 440 N SER A 29 4.850 3.241 0.469 1.00 0.00 N ATOM 441 CA SER A 29 4.667 3.952 1.732 1.00 0.00 C ATOM 442 C SER A 29 5.132 3.107 2.928 1.00 0.00 C ATOM 443 O SER A 29 4.344 2.412 3.572 1.00 0.00 O ATOM 444 CB SER A 29 3.211 4.391 1.933 1.00 0.00 C ATOM 445 OG SER A 29 2.724 5.198 0.885 1.00 0.00 O ATOM 0 H SER A 29 3.970 3.007 0.010 1.00 0.00 H new ATOM 0 HA SER A 29 5.288 4.846 1.678 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.581 3.506 2.024 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.130 4.938 2.872 1.00 0.00 H new ATOM 0 HG SER A 29 2.801 4.714 0.036 1.00 0.00 H new ATOM 451 N ALA A 30 6.428 3.170 3.217 1.00 0.00 N ATOM 452 CA ALA A 30 7.056 2.649 4.416 1.00 0.00 C ATOM 453 C ALA A 30 8.185 3.553 4.983 1.00 0.00 C ATOM 454 O ALA A 30 8.900 3.051 5.851 1.00 0.00 O ATOM 455 CB ALA A 30 7.510 1.202 4.152 1.00 0.00 C ATOM 0 H ALA A 30 7.099 3.609 2.586 1.00 0.00 H new ATOM 0 HA ALA A 30 6.314 2.648 5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.984 0.800 5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.645 0.591 3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.223 1.189 3.327 1.00 0.00 H new ATOM 461 N PRO A 31 8.402 4.839 4.589 1.00 0.00 N ATOM 462 CA PRO A 31 9.340 5.698 5.316 1.00 0.00 C ATOM 463 C PRO A 31 9.132 5.638 6.840 1.00 0.00 C ATOM 464 O PRO A 31 7.999 5.663 7.331 1.00 0.00 O ATOM 465 CB PRO A 31 9.143 7.117 4.785 1.00 0.00 C ATOM 466 CG PRO A 31 8.555 6.939 3.397 1.00 0.00 C ATOM 467 CD PRO A 31 7.805 5.613 3.498 1.00 0.00 C ATOM 0 HA PRO A 31 10.361 5.355 5.151 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.473 7.689 5.427 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.088 7.659 4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.887 7.760 3.135 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.332 6.904 2.633 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.746 5.787 3.689 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.873 5.064 2.559 1.00 0.00 H new ATOM 475 N ARG A 32 10.242 5.549 7.578 1.00 0.00 N ATOM 476 CA ARG A 32 10.347 5.340 9.028 1.00 0.00 C ATOM 477 C ARG A 32 9.351 4.307 9.581 1.00 0.00 C ATOM 478 O ARG A 32 8.937 4.407 10.737 1.00 0.00 O ATOM 479 CB ARG A 32 10.367 6.697 9.764 1.00 0.00 C ATOM 480 CG ARG A 32 11.624 7.508 9.395 1.00 0.00 C ATOM 481 CD ARG A 32 11.720 8.834 10.159 1.00 0.00 C ATOM 482 NE ARG A 32 12.915 9.592 9.740 1.00 0.00 N ATOM 483 CZ ARG A 32 13.040 10.926 9.690 1.00 0.00 C ATOM 484 NH1 ARG A 32 12.058 11.726 10.097 1.00 0.00 N ATOM 485 NH2 ARG A 32 14.163 11.460 9.217 1.00 0.00 N ATOM 0 H ARG A 32 11.162 5.627 7.145 1.00 0.00 H new ATOM 0 HA ARG A 32 11.306 4.865 9.233 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.474 7.267 9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.340 6.531 10.841 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.511 6.909 9.602 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.619 7.710 8.324 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.824 9.429 9.979 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.764 8.640 11.231 1.00 0.00 H new ATOM 0 HE ARG A 32 13.729 9.045 9.460 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.190 11.327 10.455 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.173 12.738 10.051 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.920 10.856 8.896 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.267 12.474 9.175 1.00 0.00 H new ATOM 499 N SER A 33 9.004 3.297 8.775 1.00 0.00 N ATOM 500 CA SER A 33 8.246 2.113 9.165 1.00 0.00 C ATOM 501 C SER A 33 6.914 2.432 9.872 1.00 0.00 C ATOM 502 O SER A 33 6.479 1.670 10.740 1.00 0.00 O ATOM 503 CB SER A 33 9.163 1.177 9.975 1.00 0.00 C ATOM 504 OG SER A 33 10.417 0.994 9.325 1.00 0.00 O ATOM 0 H SER A 33 9.258 3.287 7.787 1.00 0.00 H new ATOM 0 HA SER A 33 7.930 1.594 8.260 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.323 1.593 10.970 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.675 0.211 10.108 1.00 0.00 H new ATOM 0 HG SER A 33 10.980 0.397 9.862 1.00 0.00 H new ATOM 510 N GLY A 34 6.261 3.547 9.520 1.00 0.00 N ATOM 511 CA GLY A 34 5.039 3.991 10.192 1.00 0.00 C ATOM 512 C GLY A 34 4.151 4.878 9.322 1.00 0.00 C ATOM 513 O GLY A 34 3.360 5.654 9.861 1.00 0.00 O ATOM 0 H GLY A 34 6.565 4.162 8.765 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.469 3.117 10.506 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.309 4.537 11.096 1.00 0.00 H new ATOM 551 N ALA A 38 -0.544 2.826 2.061 1.00 0.00 N ATOM 552 CA ALA A 38 0.254 1.954 1.197 1.00 0.00 C ATOM 553 C ALA A 38 0.223 2.469 -0.244 1.00 0.00 C ATOM 554 O ALA A 38 0.138 1.692 -1.199 1.00 0.00 O ATOM 555 CB ALA A 38 -0.196 0.495 1.335 1.00 0.00 C ATOM 0 HA ALA A 38 1.297 1.978 1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.410 -0.136 0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.074 0.173 2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.244 0.409 1.050 1.00 0.00 H new ATOM 561 N GLU A 39 0.249 3.795 -0.397 1.00 0.00 N ATOM 562 CA GLU A 39 0.444 4.425 -1.695 1.00 0.00 C ATOM 563 C GLU A 39 1.885 4.180 -2.162 1.00 0.00 C ATOM 564 O GLU A 39 2.740 3.773 -1.367 1.00 0.00 O ATOM 565 CB GLU A 39 0.133 5.932 -1.610 1.00 0.00 C ATOM 566 CG GLU A 39 -1.319 6.248 -1.213 1.00 0.00 C ATOM 567 CD GLU A 39 -2.347 5.683 -2.210 1.00 0.00 C ATOM 568 OE1 GLU A 39 -2.447 6.197 -3.347 1.00 0.00 O ATOM 569 OE2 GLU A 39 -3.086 4.736 -1.861 1.00 0.00 O ATOM 0 H GLU A 39 0.136 4.454 0.373 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.240 3.988 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.805 6.391 -0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.343 6.391 -2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.517 5.838 -0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.444 7.328 -1.142 1.00 0.00 H new ATOM 576 N SER A 40 2.173 4.468 -3.432 1.00 0.00 N ATOM 577 CA SER A 40 3.513 4.373 -4.000 1.00 0.00 C ATOM 578 C SER A 40 3.733 5.516 -4.994 1.00 0.00 C ATOM 579 O SER A 40 2.767 6.089 -5.508 1.00 0.00 O ATOM 580 CB SER A 40 3.708 3.024 -4.705 1.00 0.00 C ATOM 581 OG SER A 40 3.257 1.927 -3.926 1.00 0.00 O ATOM 0 H SER A 40 1.470 4.778 -4.102 1.00 0.00 H new ATOM 0 HA SER A 40 4.241 4.448 -3.192 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.172 3.034 -5.654 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.765 2.889 -4.937 1.00 0.00 H new ATOM 0 HG SER A 40 3.983 1.277 -3.825 1.00 0.00 H new ATOM 587 N LYS A 41 4.996 5.836 -5.280 1.00 0.00 N ATOM 588 CA LYS A 41 5.399 6.814 -6.294 1.00 0.00 C ATOM 589 C LYS A 41 6.743 6.405 -6.877 1.00 0.00 C ATOM 590 O LYS A 41 7.456 5.607 -6.267 1.00 0.00 O ATOM 591 CB LYS A 41 5.406 8.253 -5.726 1.00 0.00 C ATOM 592 CG LYS A 41 6.108 8.481 -4.371 1.00 0.00 C ATOM 593 CD LYS A 41 7.646 8.507 -4.335 1.00 0.00 C ATOM 594 CE LYS A 41 8.285 9.656 -5.125 1.00 0.00 C ATOM 595 NZ LYS A 41 7.925 11.004 -4.616 1.00 0.00 N ATOM 0 H LYS A 41 5.789 5.411 -4.800 1.00 0.00 H new ATOM 0 HA LYS A 41 4.667 6.821 -7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.878 8.903 -6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.371 8.581 -5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.751 9.429 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.774 7.699 -3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.971 8.573 -3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.021 7.562 -4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.369 9.545 -5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.983 9.579 -6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.350 11.731 -5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.891 11.111 -4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.282 11.115 -3.646 1.00 0.00 H new ATOM 609 N GLU A 42 7.113 6.984 -8.017 1.00 0.00 N ATOM 610 CA GLU A 42 8.331 6.633 -8.733 1.00 0.00 C ATOM 611 C GLU A 42 9.325 7.777 -8.591 1.00 0.00 C ATOM 612 O GLU A 42 8.918 8.942 -8.522 1.00 0.00 O ATOM 613 CB GLU A 42 8.032 6.398 -10.225 1.00 0.00 C ATOM 614 CG GLU A 42 7.563 4.981 -10.575 1.00 0.00 C ATOM 615 CD GLU A 42 6.147 4.650 -10.080 1.00 0.00 C ATOM 616 OE1 GLU A 42 5.987 4.303 -8.893 1.00 0.00 O ATOM 617 OE2 GLU A 42 5.192 4.631 -10.888 1.00 0.00 O ATOM 0 H GLU A 42 6.568 7.717 -8.472 1.00 0.00 H new ATOM 0 HA GLU A 42 8.744 5.715 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.267 7.107 -10.543 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.931 6.620 -10.800 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.597 4.855 -11.657 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.263 4.262 -10.149 1.00 0.00 H new ATOM 624 N ILE A 43 10.616 7.449 -8.617 1.00 0.00 N ATOM 625 CA ILE A 43 11.710 8.409 -8.640 1.00 0.00 C ATOM 626 C ILE A 43 12.640 8.070 -9.802 1.00 0.00 C ATOM 627 O ILE A 43 12.693 6.922 -10.259 1.00 0.00 O ATOM 628 CB ILE A 43 12.440 8.482 -7.278 1.00 0.00 C ATOM 629 CG1 ILE A 43 13.077 7.138 -6.862 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.468 8.995 -6.206 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.866 7.214 -5.548 1.00 0.00 C ATOM 0 H ILE A 43 10.935 6.480 -8.623 1.00 0.00 H new ATOM 0 HA ILE A 43 11.314 9.411 -8.802 1.00 0.00 H new ATOM 0 HB ILE A 43 13.270 9.181 -7.382 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.292 6.389 -6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.742 6.799 -7.656 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.980 9.047 -5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.113 9.988 -6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.620 8.315 -6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.285 6.234 -5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.673 7.939 -5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.201 7.522 -4.741 1.00 0.00 H new ATOM 643 N VAL A 44 13.364 9.082 -10.271 1.00 0.00 N ATOM 644 CA VAL A 44 14.145 9.037 -11.500 1.00 0.00 C ATOM 645 C VAL A 44 15.585 9.357 -11.114 1.00 0.00 C ATOM 646 O VAL A 44 15.856 10.457 -10.625 1.00 0.00 O ATOM 647 CB VAL A 44 13.565 10.067 -12.497 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.240 9.988 -13.871 1.00 0.00 C ATOM 649 CG2 VAL A 44 12.048 9.924 -12.703 1.00 0.00 C ATOM 0 H VAL A 44 13.424 9.981 -9.792 1.00 0.00 H new ATOM 0 HA VAL A 44 14.109 8.062 -11.986 1.00 0.00 H new ATOM 0 HB VAL A 44 13.769 11.034 -12.037 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.799 10.730 -14.536 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.307 10.185 -13.764 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.095 8.993 -14.291 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.705 10.676 -13.414 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.826 8.930 -13.091 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.537 10.065 -11.751 1.00 0.00 H new ATOM 659 N ARG A 45 16.505 8.407 -11.304 1.00 0.00 N ATOM 660 CA ARG A 45 17.910 8.575 -10.924 1.00 0.00 C ATOM 661 C ARG A 45 18.774 8.038 -12.053 1.00 0.00 C ATOM 662 O ARG A 45 18.389 7.073 -12.715 1.00 0.00 O ATOM 663 CB ARG A 45 18.214 7.824 -9.610 1.00 0.00 C ATOM 664 CG ARG A 45 17.403 8.296 -8.389 1.00 0.00 C ATOM 665 CD ARG A 45 17.665 9.749 -7.987 1.00 0.00 C ATOM 666 NE ARG A 45 16.855 10.130 -6.813 1.00 0.00 N ATOM 667 CZ ARG A 45 17.198 9.945 -5.531 1.00 0.00 C ATOM 668 NH1 ARG A 45 18.410 9.495 -5.209 1.00 0.00 N ATOM 669 NH2 ARG A 45 16.315 10.208 -4.574 1.00 0.00 N ATOM 0 H ARG A 45 16.297 7.501 -11.725 1.00 0.00 H new ATOM 0 HA ARG A 45 18.124 9.631 -10.757 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.025 6.762 -9.764 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.275 7.930 -9.386 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.341 8.176 -8.603 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.632 7.649 -7.542 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.723 9.882 -7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.432 10.409 -8.823 1.00 0.00 H new ATOM 0 HE ARG A 45 15.954 10.573 -6.994 1.00 0.00 H new ATOM 0 HH11 ARG A 45 19.088 9.287 -5.942 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.660 9.358 -4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.385 10.548 -4.818 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.567 10.070 -3.595 1.00 0.00 H new ATOM 683 N GLY A 46 19.940 8.637 -12.261 1.00 0.00 N ATOM 684 CA GLY A 46 20.888 8.221 -13.277 1.00 0.00 C ATOM 685 C GLY A 46 22.120 9.097 -13.192 1.00 0.00 C ATOM 686 O GLY A 46 21.998 10.308 -12.989 1.00 0.00 O ATOM 0 H GLY A 46 20.255 9.440 -11.716 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.159 7.175 -13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.438 8.300 -14.267 1.00 0.00 H new ATOM 690 N TYR A 47 23.296 8.482 -13.323 1.00 0.00 N ATOM 691 CA TYR A 47 24.578 9.155 -13.140 1.00 0.00 C ATOM 692 C TYR A 47 25.632 8.413 -13.952 1.00 0.00 C ATOM 693 O TYR A 47 25.497 7.209 -14.186 1.00 0.00 O ATOM 694 CB TYR A 47 25.003 9.132 -11.660 1.00 0.00 C ATOM 695 CG TYR A 47 23.950 9.542 -10.646 1.00 0.00 C ATOM 696 CD1 TYR A 47 23.061 8.571 -10.152 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.881 10.864 -10.163 1.00 0.00 C ATOM 698 CE1 TYR A 47 22.125 8.897 -9.157 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.939 11.203 -9.173 1.00 0.00 C ATOM 700 CZ TYR A 47 22.066 10.217 -8.656 1.00 0.00 C ATOM 701 OH TYR A 47 21.189 10.506 -7.657 1.00 0.00 O ATOM 0 H TYR A 47 23.384 7.494 -13.561 1.00 0.00 H new ATOM 0 HA TYR A 47 24.482 10.191 -13.465 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.336 8.123 -11.417 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.864 9.790 -11.542 1.00 0.00 H new ATOM 0 HD1 TYR A 47 23.098 7.564 -10.542 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.550 11.617 -10.552 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.453 8.142 -8.776 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.883 12.218 -8.808 1.00 0.00 H new ATOM 0 HH TYR A 47 21.266 11.453 -7.418 1.00 0.00 H new ATOM 711 N LYS A 48 26.716 9.099 -14.325 1.00 0.00 N ATOM 712 CA LYS A 48 27.801 8.495 -15.098 1.00 0.00 C ATOM 713 C LYS A 48 28.452 7.327 -14.348 1.00 0.00 C ATOM 714 O LYS A 48 28.874 6.368 -14.990 1.00 0.00 O ATOM 715 CB LYS A 48 28.825 9.585 -15.475 1.00 0.00 C ATOM 716 CG LYS A 48 29.935 9.138 -16.442 1.00 0.00 C ATOM 717 CD LYS A 48 29.402 8.697 -17.816 1.00 0.00 C ATOM 718 CE LYS A 48 30.526 8.297 -18.786 1.00 0.00 C ATOM 719 NZ LYS A 48 31.373 9.442 -19.207 1.00 0.00 N ATOM 0 H LYS A 48 26.864 10.083 -14.101 1.00 0.00 H new ATOM 0 HA LYS A 48 27.390 8.071 -16.014 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.291 10.423 -15.923 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.289 9.956 -14.561 1.00 0.00 H new ATOM 0 HG2 LYS A 48 30.640 9.958 -16.579 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.489 8.314 -15.993 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.723 7.854 -17.685 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.821 9.509 -18.254 1.00 0.00 H new ATOM 0 HE2 LYS A 48 31.155 7.544 -18.312 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.086 7.835 -19.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 32.089 9.113 -19.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 30.778 10.167 -19.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 31.846 9.849 -18.375 1.00 0.00 H new ATOM 733 N TRP A 49 28.523 7.379 -13.010 1.00 0.00 N ATOM 734 CA TRP A 49 29.117 6.296 -12.231 1.00 0.00 C ATOM 735 C TRP A 49 28.309 4.996 -12.323 1.00 0.00 C ATOM 736 O TRP A 49 28.901 3.920 -12.202 1.00 0.00 O ATOM 737 CB TRP A 49 29.389 6.724 -10.777 1.00 0.00 C ATOM 738 CG TRP A 49 28.319 7.450 -10.008 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.368 8.757 -9.665 1.00 0.00 C ATOM 740 CD2 TRP A 49 27.083 6.941 -9.405 1.00 0.00 C ATOM 741 NE1 TRP A 49 27.272 9.089 -8.895 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.443 8.006 -8.700 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.434 5.690 -9.374 1.00 0.00 C ATOM 744 CZ2 TRP A 49 25.222 7.839 -8.027 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.181 5.525 -8.754 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.561 6.602 -8.098 1.00 0.00 C ATOM 0 H TRP A 49 28.176 8.159 -12.451 1.00 0.00 H new ATOM 0 HA TRP A 49 30.086 6.076 -12.680 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.644 5.826 -10.214 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.275 7.359 -10.783 1.00 0.00 H new ATOM 0 HD1 TRP A 49 29.152 9.442 -9.952 1.00 0.00 H new ATOM 0 HE1 TRP A 49 27.097 10.020 -8.517 1.00 0.00 H new ATOM 0 HE3 TRP A 49 26.909 4.838 -9.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.796 8.654 -7.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.692 4.562 -8.783 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.585 6.480 -7.652 1.00 0.00 H new ATOM 757 N ALA A 50 26.992 5.051 -12.566 1.00 0.00 N ATOM 758 CA ALA A 50 26.189 3.859 -12.779 1.00 0.00 C ATOM 759 C ALA A 50 26.308 3.430 -14.241 1.00 0.00 C ATOM 760 O ALA A 50 25.420 3.672 -15.058 1.00 0.00 O ATOM 761 CB ALA A 50 24.740 4.073 -12.349 1.00 0.00 C ATOM 0 H ALA A 50 26.464 5.922 -12.618 1.00 0.00 H new ATOM 0 HA ALA A 50 26.567 3.052 -12.152 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.170 3.160 -12.523 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.708 4.324 -11.289 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.305 4.888 -12.928 1.00 0.00 H new ATOM 767 N GLU A 51 27.419 2.772 -14.567 1.00 0.00 N ATOM 768 CA GLU A 51 27.650 2.170 -15.880 1.00 0.00 C ATOM 769 C GLU A 51 26.666 1.020 -16.172 1.00 0.00 C ATOM 770 O GLU A 51 26.645 0.501 -17.289 1.00 0.00 O ATOM 771 CB GLU A 51 29.102 1.668 -15.960 1.00 0.00 C ATOM 772 CG GLU A 51 30.147 2.793 -16.014 1.00 0.00 C ATOM 773 CD GLU A 51 30.293 3.404 -17.423 1.00 0.00 C ATOM 774 OE1 GLU A 51 29.351 4.057 -17.924 1.00 0.00 O ATOM 775 OE2 GLU A 51 31.368 3.237 -18.043 1.00 0.00 O ATOM 0 H GLU A 51 28.195 2.640 -13.918 1.00 0.00 H new ATOM 0 HA GLU A 51 27.479 2.934 -16.639 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.306 1.037 -15.095 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.211 1.041 -16.845 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.868 3.577 -15.310 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.112 2.403 -15.690 1.00 0.00 H new ATOM 782 N TYR A 52 25.846 0.614 -15.197 1.00 0.00 N ATOM 783 CA TYR A 52 24.780 -0.366 -15.330 1.00 0.00 C ATOM 784 C TYR A 52 23.639 0.064 -14.408 1.00 0.00 C ATOM 785 O TYR A 52 23.878 0.547 -13.300 1.00 0.00 O ATOM 786 CB TYR A 52 25.263 -1.794 -15.014 1.00 0.00 C ATOM 787 CG TYR A 52 26.384 -1.919 -13.998 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.708 -1.679 -14.406 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.115 -2.280 -12.667 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.768 -1.787 -13.487 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.168 -2.399 -11.741 1.00 0.00 C ATOM 792 CZ TYR A 52 28.500 -2.150 -12.147 1.00 0.00 C ATOM 793 OH TYR A 52 29.511 -2.266 -11.239 1.00 0.00 O ATOM 0 H TYR A 52 25.917 0.983 -14.249 1.00 0.00 H new ATOM 0 HA TYR A 52 24.435 -0.398 -16.363 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.411 -2.371 -14.655 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.592 -2.257 -15.944 1.00 0.00 H new ATOM 0 HD1 TYR A 52 27.913 -1.410 -15.432 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.098 -2.466 -12.354 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.782 -1.593 -13.804 1.00 0.00 H new ATOM 0 HE2 TYR A 52 26.959 -2.681 -10.720 1.00 0.00 H new ATOM 0 HH TYR A 52 29.141 -2.522 -10.368 1.00 0.00 H new ATOM 803 N HIS A 53 22.397 -0.131 -14.855 1.00 0.00 N ATOM 804 CA HIS A 53 21.182 0.318 -14.165 1.00 0.00 C ATOM 805 C HIS A 53 21.034 -0.345 -12.790 1.00 0.00 C ATOM 806 O HIS A 53 20.475 0.246 -11.866 1.00 0.00 O ATOM 807 CB HIS A 53 19.940 0.024 -15.025 1.00 0.00 C ATOM 808 CG HIS A 53 20.140 0.275 -16.500 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.889 1.436 -17.197 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.688 -0.614 -17.382 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.312 1.249 -18.462 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.820 0.013 -18.623 1.00 0.00 N ATOM 0 H HIS A 53 22.201 -0.618 -15.730 1.00 0.00 H new ATOM 0 HA HIS A 53 21.270 1.394 -14.012 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.649 -1.016 -14.880 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.112 0.639 -14.671 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.461 2.283 -16.823 1.00 0.00 H new ATOM 0 HD2 HIS A 53 20.972 -1.631 -17.157 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.252 1.992 -19.243 1.00 0.00 H new ATOM 820 N ALA A 54 21.552 -1.569 -12.636 1.00 0.00 N ATOM 821 CA ALA A 54 21.554 -2.256 -11.355 1.00 0.00 C ATOM 822 C ALA A 54 22.331 -1.474 -10.293 1.00 0.00 C ATOM 823 O ALA A 54 21.989 -1.565 -9.116 1.00 0.00 O ATOM 824 CB ALA A 54 22.112 -3.674 -11.519 1.00 0.00 C ATOM 0 H ALA A 54 21.977 -2.102 -13.395 1.00 0.00 H new ATOM 0 HA ALA A 54 20.524 -2.325 -11.006 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.109 -4.180 -10.554 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.492 -4.230 -12.222 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.133 -3.622 -11.898 1.00 0.00 H new ATOM 830 N ASP A 55 23.344 -0.689 -10.682 1.00 0.00 N ATOM 831 CA ASP A 55 24.145 0.066 -9.722 1.00 0.00 C ATOM 832 C ASP A 55 23.308 1.159 -9.061 1.00 0.00 C ATOM 833 O ASP A 55 23.335 1.308 -7.841 1.00 0.00 O ATOM 834 CB ASP A 55 25.362 0.715 -10.392 1.00 0.00 C ATOM 835 CG ASP A 55 26.387 1.130 -9.326 1.00 0.00 C ATOM 836 OD1 ASP A 55 27.017 0.240 -8.710 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.585 2.344 -9.119 1.00 0.00 O ATOM 0 H ASP A 55 23.625 -0.563 -11.655 1.00 0.00 H new ATOM 0 HA ASP A 55 24.490 -0.642 -8.969 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.817 0.016 -11.094 1.00 0.00 H new ATOM 0 HB3 ASP A 55 25.050 1.587 -10.967 1.00 0.00 H new ATOM 842 N ILE A 56 22.521 1.893 -9.859 1.00 0.00 N ATOM 843 CA ILE A 56 21.639 2.938 -9.349 1.00 0.00 C ATOM 844 C ILE A 56 20.482 2.327 -8.580 1.00 0.00 C ATOM 845 O ILE A 56 20.147 2.862 -7.527 1.00 0.00 O ATOM 846 CB ILE A 56 21.100 3.919 -10.424 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.109 3.381 -11.875 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.780 5.277 -10.225 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.963 4.440 -12.962 1.00 0.00 C ATOM 0 H ILE A 56 22.482 1.776 -10.871 1.00 0.00 H new ATOM 0 HA ILE A 56 22.263 3.539 -8.688 1.00 0.00 H new ATOM 0 HB ILE A 56 20.028 4.044 -10.269 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.042 2.841 -12.039 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.299 2.659 -11.983 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.413 5.981 -10.972 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.553 5.655 -9.228 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.859 5.163 -10.332 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.981 3.961 -13.941 1.00 0.00 H new ATOM 0 HD12 ILE A 56 20.017 4.966 -12.833 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.786 5.151 -12.890 1.00 0.00 H new ATOM 861 N TYR A 57 19.880 1.231 -9.055 1.00 0.00 N ATOM 862 CA TYR A 57 18.805 0.616 -8.292 1.00 0.00 C ATOM 863 C TYR A 57 19.345 0.189 -6.921 1.00 0.00 C ATOM 864 O TYR A 57 18.715 0.490 -5.915 1.00 0.00 O ATOM 865 CB TYR A 57 18.189 -0.577 -9.029 1.00 0.00 C ATOM 866 CG TYR A 57 17.148 -1.278 -8.174 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.019 -0.565 -7.720 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.358 -2.600 -7.740 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.109 -1.157 -6.827 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.446 -3.207 -6.860 1.00 0.00 C ATOM 871 CZ TYR A 57 15.321 -2.489 -6.393 1.00 0.00 C ATOM 872 OH TYR A 57 14.474 -3.096 -5.516 1.00 0.00 O ATOM 0 H TYR A 57 20.113 0.769 -9.934 1.00 0.00 H new ATOM 0 HA TYR A 57 18.009 1.349 -8.163 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.730 -0.236 -9.957 1.00 0.00 H new ATOM 0 HB3 TYR A 57 18.974 -1.283 -9.302 1.00 0.00 H new ATOM 0 HD1 TYR A 57 15.852 0.446 -8.062 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.222 -3.149 -8.084 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.254 -0.600 -6.474 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.605 -4.226 -6.539 1.00 0.00 H new ATOM 0 HH TYR A 57 13.636 -2.591 -5.468 1.00 0.00 H new ATOM 882 N ASP A 58 20.522 -0.443 -6.852 1.00 0.00 N ATOM 883 CA ASP A 58 21.109 -0.869 -5.583 1.00 0.00 C ATOM 884 C ASP A 58 21.422 0.322 -4.675 1.00 0.00 C ATOM 885 O ASP A 58 21.023 0.321 -3.508 1.00 0.00 O ATOM 886 CB ASP A 58 22.378 -1.693 -5.818 1.00 0.00 C ATOM 887 CG ASP A 58 23.017 -2.090 -4.477 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.502 -3.014 -3.809 1.00 0.00 O ATOM 889 OD2 ASP A 58 24.049 -1.496 -4.092 1.00 0.00 O ATOM 0 H ASP A 58 21.088 -0.671 -7.669 1.00 0.00 H new ATOM 0 HA ASP A 58 20.369 -1.492 -5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.137 -2.588 -6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.089 -1.117 -6.410 1.00 0.00 H new ATOM 894 N LYS A 59 22.079 1.361 -5.210 1.00 0.00 N ATOM 895 CA LYS A 59 22.405 2.587 -4.479 1.00 0.00 C ATOM 896 C LYS A 59 21.136 3.192 -3.885 1.00 0.00 C ATOM 897 O LYS A 59 21.050 3.423 -2.677 1.00 0.00 O ATOM 898 CB LYS A 59 23.084 3.582 -5.447 1.00 0.00 C ATOM 899 CG LYS A 59 23.431 4.945 -4.820 1.00 0.00 C ATOM 900 CD LYS A 59 24.830 4.967 -4.193 1.00 0.00 C ATOM 901 CE LYS A 59 25.086 6.324 -3.523 1.00 0.00 C ATOM 902 NZ LYS A 59 26.432 6.400 -2.903 1.00 0.00 N ATOM 0 H LYS A 59 22.402 1.370 -6.177 1.00 0.00 H new ATOM 0 HA LYS A 59 23.088 2.361 -3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 59 23.998 3.129 -5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.426 3.746 -6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 59 23.367 5.719 -5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 59 22.691 5.189 -4.057 1.00 0.00 H new ATOM 0 HD2 LYS A 59 24.920 4.167 -3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.583 4.783 -4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.984 7.117 -4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 59 24.327 6.500 -2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.559 7.334 -2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 26.522 5.660 -2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 27.159 6.259 -3.633 1.00 0.00 H new ATOM 916 N VAL A 60 20.161 3.469 -4.744 1.00 0.00 N ATOM 917 CA VAL A 60 18.993 4.241 -4.381 1.00 0.00 C ATOM 918 C VAL A 60 18.074 3.397 -3.507 1.00 0.00 C ATOM 919 O VAL A 60 17.618 3.908 -2.491 1.00 0.00 O ATOM 920 CB VAL A 60 18.320 4.780 -5.655 1.00 0.00 C ATOM 921 CG1 VAL A 60 17.036 5.546 -5.304 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.271 5.718 -6.424 1.00 0.00 C ATOM 0 H VAL A 60 20.165 3.159 -5.716 1.00 0.00 H new ATOM 0 HA VAL A 60 19.268 5.111 -3.785 1.00 0.00 H new ATOM 0 HB VAL A 60 18.073 3.925 -6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.574 5.920 -6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.342 4.878 -4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.279 6.384 -4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 60 18.772 6.086 -7.321 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.544 6.561 -5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.171 5.172 -6.707 1.00 0.00 H new ATOM 932 N SER A 61 17.831 2.124 -3.826 1.00 0.00 N ATOM 933 CA SER A 61 17.020 1.255 -2.983 1.00 0.00 C ATOM 934 C SER A 61 17.665 1.127 -1.600 1.00 0.00 C ATOM 935 O SER A 61 16.942 1.121 -0.608 1.00 0.00 O ATOM 936 CB SER A 61 16.813 -0.103 -3.666 1.00 0.00 C ATOM 937 OG SER A 61 15.811 -0.863 -3.014 1.00 0.00 O ATOM 0 H SER A 61 18.189 1.674 -4.668 1.00 0.00 H new ATOM 0 HA SER A 61 16.031 1.692 -2.842 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.534 0.051 -4.708 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.751 -0.659 -3.666 1.00 0.00 H new ATOM 0 HG SER A 61 15.276 -0.275 -2.441 1.00 0.00 H new ATOM 943 N GLY A 62 19.001 1.107 -1.502 1.00 0.00 N ATOM 944 CA GLY A 62 19.700 1.153 -0.227 1.00 0.00 C ATOM 945 C GLY A 62 19.343 2.417 0.558 1.00 0.00 C ATOM 946 O GLY A 62 18.982 2.324 1.732 1.00 0.00 O ATOM 0 H GLY A 62 19.621 1.058 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.444 0.272 0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.776 1.121 -0.398 1.00 0.00 H new ATOM 950 N ASP A 63 19.386 3.590 -0.082 1.00 0.00 N ATOM 951 CA ASP A 63 19.029 4.849 0.569 1.00 0.00 C ATOM 952 C ASP A 63 17.555 4.861 0.975 1.00 0.00 C ATOM 953 O ASP A 63 17.246 5.167 2.124 1.00 0.00 O ATOM 954 CB ASP A 63 19.344 6.064 -0.310 1.00 0.00 C ATOM 955 CG ASP A 63 19.142 7.362 0.490 1.00 0.00 C ATOM 956 OD1 ASP A 63 18.013 7.897 0.521 1.00 0.00 O ATOM 957 OD2 ASP A 63 20.131 7.845 1.089 1.00 0.00 O ATOM 0 H ASP A 63 19.667 3.691 -1.057 1.00 0.00 H new ATOM 0 HA ASP A 63 19.642 4.921 1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.371 6.006 -0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.698 6.065 -1.188 1.00 0.00 H new ATOM 962 N MET A 64 16.642 4.459 0.087 1.00 0.00 N ATOM 963 CA MET A 64 15.221 4.380 0.414 1.00 0.00 C ATOM 964 C MET A 64 14.985 3.429 1.592 1.00 0.00 C ATOM 965 O MET A 64 14.235 3.756 2.508 1.00 0.00 O ATOM 966 CB MET A 64 14.417 3.898 -0.801 1.00 0.00 C ATOM 967 CG MET A 64 14.451 4.779 -2.056 1.00 0.00 C ATOM 968 SD MET A 64 13.877 6.481 -1.837 1.00 0.00 S ATOM 969 CE MET A 64 15.465 7.302 -1.562 1.00 0.00 C ATOM 0 H MET A 64 16.866 4.182 -0.869 1.00 0.00 H new ATOM 0 HA MET A 64 14.886 5.379 0.694 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.778 2.907 -1.074 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.377 3.785 -0.495 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.474 4.806 -2.431 1.00 0.00 H new ATOM 0 HG3 MET A 64 13.842 4.306 -2.826 1.00 0.00 H new ATOM 0 HE1 MET A 64 15.334 8.382 -1.637 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.838 7.050 -0.569 1.00 0.00 H new ATOM 0 HE3 MET A 64 16.181 6.970 -2.314 1.00 0.00 H new ATOM 979 N GLN A 65 15.629 2.262 1.619 1.00 0.00 N ATOM 980 CA GLN A 65 15.484 1.303 2.700 1.00 0.00 C ATOM 981 C GLN A 65 16.061 1.851 4.011 1.00 0.00 C ATOM 982 O GLN A 65 15.495 1.584 5.069 1.00 0.00 O ATOM 983 CB GLN A 65 16.162 -0.015 2.304 1.00 0.00 C ATOM 984 CG GLN A 65 15.329 -0.839 1.311 1.00 0.00 C ATOM 985 CD GLN A 65 16.109 -2.059 0.816 1.00 0.00 C ATOM 986 OE1 GLN A 65 16.465 -2.945 1.591 1.00 0.00 O ATOM 987 NE2 GLN A 65 16.397 -2.152 -0.473 1.00 0.00 N ATOM 0 H GLN A 65 16.268 1.959 0.884 1.00 0.00 H new ATOM 0 HA GLN A 65 14.423 1.120 2.871 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.135 0.201 1.863 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.342 -0.609 3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.405 -1.164 1.789 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.047 -0.215 0.463 1.00 0.00 H new ATOM 0 HE21 GLN A 65 16.102 -1.417 -1.116 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.914 -2.958 -0.823 1.00 0.00 H new ATOM 996 N LYS A 66 17.127 2.660 3.971 1.00 0.00 N ATOM 997 CA LYS A 66 17.617 3.398 5.134 1.00 0.00 C ATOM 998 C LYS A 66 16.568 4.414 5.603 1.00 0.00 C ATOM 999 O LYS A 66 16.357 4.535 6.811 1.00 0.00 O ATOM 1000 CB LYS A 66 18.961 4.042 4.755 1.00 0.00 C ATOM 1001 CG LYS A 66 19.554 5.009 5.792 1.00 0.00 C ATOM 1002 CD LYS A 66 20.770 5.746 5.206 1.00 0.00 C ATOM 1003 CE LYS A 66 20.341 6.751 4.123 1.00 0.00 C ATOM 1004 NZ LYS A 66 21.486 7.421 3.465 1.00 0.00 N ATOM 0 H LYS A 66 17.674 2.819 3.125 1.00 0.00 H new ATOM 0 HA LYS A 66 17.784 2.734 5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.684 3.248 4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.833 4.580 3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.797 5.731 6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.850 4.458 6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.300 6.269 6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.466 5.023 4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.749 6.232 3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.695 7.506 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.215 7.706 2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.757 8.263 4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.292 6.765 3.418 1.00 0.00 H new ATOM 1018 N GLN A 67 15.874 5.104 4.686 1.00 0.00 N ATOM 1019 CA GLN A 67 14.713 5.933 5.033 1.00 0.00 C ATOM 1020 C GLN A 67 13.556 5.081 5.581 1.00 0.00 C ATOM 1021 O GLN A 67 12.697 5.622 6.271 1.00 0.00 O ATOM 1022 CB GLN A 67 14.255 6.803 3.845 1.00 0.00 C ATOM 1023 CG GLN A 67 15.349 7.771 3.360 1.00 0.00 C ATOM 1024 CD GLN A 67 14.840 8.812 2.359 1.00 0.00 C ATOM 1025 OE1 GLN A 67 13.792 9.425 2.544 1.00 0.00 O ATOM 1026 NE2 GLN A 67 15.575 9.066 1.288 1.00 0.00 N ATOM 0 H GLN A 67 16.100 5.103 3.691 1.00 0.00 H new ATOM 0 HA GLN A 67 15.029 6.610 5.827 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.957 6.156 3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.374 7.374 4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.777 8.285 4.221 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.153 7.197 2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.445 8.557 1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.271 9.771 0.616 1.00 0.00 H new ATOM 1035 N GLY A 68 13.527 3.771 5.315 1.00 0.00 N ATOM 1036 CA GLY A 68 12.610 2.784 5.889 1.00 0.00 C ATOM 1037 C GLY A 68 11.766 2.070 4.825 1.00 0.00 C ATOM 1038 O GLY A 68 11.057 1.112 5.138 1.00 0.00 O ATOM 0 H GLY A 68 14.181 3.348 4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.183 2.045 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.948 3.279 6.600 1.00 0.00 H new ATOM 1042 N CYS A 69 11.836 2.539 3.579 1.00 0.00 N ATOM 1043 CA CYS A 69 10.968 2.159 2.477 1.00 0.00 C ATOM 1044 C CYS A 69 11.191 0.727 1.970 1.00 0.00 C ATOM 1045 O CYS A 69 12.106 0.021 2.395 1.00 0.00 O ATOM 1046 CB CYS A 69 11.227 3.136 1.326 1.00 0.00 C ATOM 1047 SG CYS A 69 11.119 4.864 1.874 1.00 0.00 S ATOM 0 H CYS A 69 12.536 3.228 3.303 1.00 0.00 H new ATOM 0 HA CYS A 69 9.941 2.197 2.841 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.215 2.949 0.905 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.503 2.961 0.530 1.00 0.00 H new ATOM 0 HG CYS A 69 11.348 5.654 0.867 1.00 0.00 H new ATOM 1053 N ASP A 70 10.383 0.350 0.979 1.00 0.00 N ATOM 1054 CA ASP A 70 10.512 -0.853 0.160 1.00 0.00 C ATOM 1055 C ASP A 70 10.348 -0.368 -1.281 1.00 0.00 C ATOM 1056 O ASP A 70 9.601 0.595 -1.511 1.00 0.00 O ATOM 1057 CB ASP A 70 9.458 -1.897 0.542 1.00 0.00 C ATOM 1058 CG ASP A 70 9.567 -3.153 -0.340 1.00 0.00 C ATOM 1059 OD1 ASP A 70 10.695 -3.641 -0.572 1.00 0.00 O ATOM 1060 OD2 ASP A 70 8.518 -3.675 -0.775 1.00 0.00 O ATOM 0 H ASP A 70 9.574 0.910 0.712 1.00 0.00 H new ATOM 0 HA ASP A 70 11.471 -1.351 0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.581 -2.174 1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.462 -1.465 0.441 1.00 0.00 H new ATOM 1065 N CYS A 71 11.057 -0.966 -2.244 1.00 0.00 N ATOM 1066 CA CYS A 71 11.163 -0.425 -3.597 1.00 0.00 C ATOM 1067 C CYS A 71 11.290 -1.493 -4.683 1.00 0.00 C ATOM 1068 O CYS A 71 11.652 -2.633 -4.392 1.00 0.00 O ATOM 1069 CB CYS A 71 12.430 0.439 -3.671 1.00 0.00 C ATOM 1070 SG CYS A 71 12.430 1.749 -2.417 1.00 0.00 S ATOM 0 H CYS A 71 11.571 -1.836 -2.105 1.00 0.00 H new ATOM 0 HA CYS A 71 10.244 0.132 -3.781 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.308 -0.192 -3.536 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.507 0.885 -4.662 1.00 0.00 H new ATOM 0 HG CYS A 71 13.169 1.387 -1.411 1.00 0.00 H new ATOM 1076 N GLU A 72 11.093 -1.097 -5.947 1.00 0.00 N ATOM 1077 CA GLU A 72 11.258 -1.954 -7.124 1.00 0.00 C ATOM 1078 C GLU A 72 11.675 -1.097 -8.322 1.00 0.00 C ATOM 1079 O GLU A 72 11.042 -0.072 -8.581 1.00 0.00 O ATOM 1080 CB GLU A 72 9.921 -2.632 -7.488 1.00 0.00 C ATOM 1081 CG GLU A 72 9.421 -3.716 -6.519 1.00 0.00 C ATOM 1082 CD GLU A 72 10.356 -4.937 -6.375 1.00 0.00 C ATOM 1083 OE1 GLU A 72 11.204 -5.197 -7.260 1.00 0.00 O ATOM 1084 OE2 GLU A 72 10.199 -5.702 -5.395 1.00 0.00 O ATOM 0 H GLU A 72 10.807 -0.147 -6.183 1.00 0.00 H new ATOM 0 HA GLU A 72 12.012 -2.707 -6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.155 -1.860 -7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.022 -3.078 -8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.279 -3.267 -5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.444 -4.062 -6.856 1.00 0.00 H new ATOM 1091 N CYS A 73 12.719 -1.483 -9.062 1.00 0.00 N ATOM 1092 CA CYS A 73 13.032 -0.865 -10.347 1.00 0.00 C ATOM 1093 C CYS A 73 11.956 -1.345 -11.328 1.00 0.00 C ATOM 1094 O CYS A 73 11.830 -2.545 -11.590 1.00 0.00 O ATOM 1095 CB CYS A 73 14.458 -1.208 -10.831 1.00 0.00 C ATOM 1096 SG CYS A 73 14.882 -2.937 -10.451 1.00 0.00 S ATOM 0 H CYS A 73 13.363 -2.225 -8.788 1.00 0.00 H new ATOM 0 HA CYS A 73 13.024 0.222 -10.264 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.531 -1.040 -11.906 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.177 -0.541 -10.355 1.00 0.00 H new ATOM 0 HG CYS A 73 15.832 -3.335 -11.244 1.00 0.00 H new ATOM 1102 N LEU A 74 11.147 -0.420 -11.847 1.00 0.00 N ATOM 1103 CA LEU A 74 10.112 -0.740 -12.825 1.00 0.00 C ATOM 1104 C LEU A 74 10.738 -1.009 -14.197 1.00 0.00 C ATOM 1105 O LEU A 74 10.157 -1.724 -15.013 1.00 0.00 O ATOM 1106 CB LEU A 74 9.091 0.405 -12.916 1.00 0.00 C ATOM 1107 CG LEU A 74 8.349 0.731 -11.602 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.229 1.730 -11.903 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.750 -0.501 -10.909 1.00 0.00 C ATOM 0 H LEU A 74 11.192 0.569 -11.601 1.00 0.00 H new ATOM 0 HA LEU A 74 9.594 -1.642 -12.499 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.606 1.303 -13.256 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.353 0.153 -13.678 1.00 0.00 H new ATOM 0 HG LEU A 74 9.087 1.146 -10.916 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.697 1.968 -10.982 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.657 2.641 -12.321 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.535 1.293 -12.620 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.245 -0.194 -9.993 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.033 -0.981 -11.575 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.546 -1.205 -10.666 1.00 0.00 H new ATOM 1121 N GLY A 75 11.923 -0.449 -14.447 1.00 0.00 N ATOM 1122 CA GLY A 75 12.707 -0.616 -15.657 1.00 0.00 C ATOM 1123 C GLY A 75 13.813 0.428 -15.648 1.00 0.00 C ATOM 1124 O GLY A 75 14.017 1.121 -14.644 1.00 0.00 O ATOM 0 H GLY A 75 12.379 0.164 -13.771 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.130 -1.619 -15.701 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.077 -0.497 -16.539 1.00 0.00 H new ATOM 1128 N GLY A 76 14.495 0.601 -16.774 1.00 0.00 N ATOM 1129 CA GLY A 76 15.424 1.703 -16.962 1.00 0.00 C ATOM 1130 C GLY A 76 15.703 1.915 -18.441 1.00 0.00 C ATOM 1131 O GLY A 76 15.014 1.352 -19.299 1.00 0.00 O ATOM 0 H GLY A 76 14.418 -0.019 -17.580 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.010 2.614 -16.529 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.356 1.495 -16.436 1.00 0.00 H new ATOM 1135 N GLY A 77 16.719 2.720 -18.726 1.00 0.00 N ATOM 1136 CA GLY A 77 17.096 3.122 -20.068 1.00 0.00 C ATOM 1137 C GLY A 77 18.328 4.009 -19.989 1.00 0.00 C ATOM 1138 O GLY A 77 19.012 4.054 -18.958 1.00 0.00 O ATOM 0 H GLY A 77 17.319 3.121 -18.005 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.302 2.244 -20.680 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.276 3.658 -20.545 1.00 0.00 H new ATOM 1142 N ARG A 78 18.616 4.740 -21.060 1.00 0.00 N ATOM 1143 CA ARG A 78 19.757 5.640 -21.140 1.00 0.00 C ATOM 1144 C ARG A 78 19.242 7.051 -21.380 1.00 0.00 C ATOM 1145 O ARG A 78 18.153 7.239 -21.931 1.00 0.00 O ATOM 1146 CB ARG A 78 20.718 5.136 -22.231 1.00 0.00 C ATOM 1147 CG ARG A 78 22.089 5.836 -22.203 1.00 0.00 C ATOM 1148 CD ARG A 78 23.058 5.285 -23.253 1.00 0.00 C ATOM 1149 NE ARG A 78 22.564 5.505 -24.626 1.00 0.00 N ATOM 1150 CZ ARG A 78 22.295 4.547 -25.524 1.00 0.00 C ATOM 1151 NH1 ARG A 78 22.513 3.265 -25.248 1.00 0.00 N ATOM 1152 NH2 ARG A 78 21.799 4.860 -26.710 1.00 0.00 N ATOM 0 H ARG A 78 18.053 4.722 -21.910 1.00 0.00 H new ATOM 0 HA ARG A 78 20.327 5.661 -20.211 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.863 4.062 -22.110 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.260 5.288 -23.208 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.950 6.904 -22.369 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.530 5.722 -21.213 1.00 0.00 H new ATOM 0 HD2 ARG A 78 24.031 5.763 -23.136 1.00 0.00 H new ATOM 0 HD3 ARG A 78 23.205 4.218 -23.087 1.00 0.00 H new ATOM 0 HE ARG A 78 22.414 6.471 -24.917 1.00 0.00 H new ATOM 0 HH11 ARG A 78 22.891 2.996 -24.340 1.00 0.00 H new ATOM 0 HH12 ARG A 78 22.302 2.550 -25.944 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.619 5.836 -26.946 1.00 0.00 H new ATOM 0 HH22 ARG A 78 21.597 4.125 -27.388 1.00 0.00 H new ATOM 1166 N ILE A 79 20.035 8.032 -20.967 1.00 0.00 N ATOM 1167 CA ILE A 79 19.807 9.442 -21.196 1.00 0.00 C ATOM 1168 C ILE A 79 20.935 9.864 -22.131 1.00 0.00 C ATOM 1169 O ILE A 79 22.110 9.569 -21.885 1.00 0.00 O ATOM 1170 CB ILE A 79 19.749 10.190 -19.843 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.445 9.772 -19.118 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.792 11.718 -20.048 1.00 0.00 C ATOM 1173 CD1 ILE A 79 18.201 10.422 -17.751 1.00 0.00 C ATOM 0 H ILE A 79 20.890 7.852 -20.441 1.00 0.00 H new ATOM 0 HA ILE A 79 18.851 9.680 -21.662 1.00 0.00 H new ATOM 0 HB ILE A 79 20.617 9.924 -19.240 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.601 10.007 -19.766 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.456 8.690 -18.987 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.750 12.216 -19.080 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.717 11.991 -20.557 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.940 12.028 -20.653 1.00 0.00 H new ATOM 0 HD11 ILE A 79 17.261 10.057 -17.337 1.00 0.00 H new ATOM 0 HD12 ILE A 79 19.018 10.168 -17.076 1.00 0.00 H new ATOM 0 HD13 ILE A 79 18.150 11.505 -17.867 1.00 0.00 H new ATOM 1185 N SER A 80 20.586 10.489 -23.253 1.00 0.00 N ATOM 1186 CA SER A 80 21.531 10.883 -24.290 1.00 0.00 C ATOM 1187 C SER A 80 21.004 12.135 -24.990 1.00 0.00 C ATOM 1188 O SER A 80 19.794 12.363 -25.021 1.00 0.00 O ATOM 1189 CB SER A 80 21.706 9.726 -25.290 1.00 0.00 C ATOM 1190 OG SER A 80 22.059 8.518 -24.628 1.00 0.00 O ATOM 0 H SER A 80 19.621 10.739 -23.469 1.00 0.00 H new ATOM 0 HA SER A 80 22.504 11.107 -23.852 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.780 9.581 -25.847 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.477 9.984 -26.016 1.00 0.00 H new ATOM 0 HG SER A 80 23.025 8.372 -24.706 1.00 0.00 H new ATOM 1333 N HIS A 89 17.289 13.170 -24.014 1.00 0.00 N ATOM 1334 CA HIS A 89 16.230 12.271 -24.433 1.00 0.00 C ATOM 1335 C HIS A 89 16.377 11.000 -23.598 1.00 0.00 C ATOM 1336 O HIS A 89 17.506 10.598 -23.307 1.00 0.00 O ATOM 1337 CB HIS A 89 16.450 11.991 -25.927 1.00 0.00 C ATOM 1338 CG HIS A 89 15.352 11.217 -26.605 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.167 11.727 -27.081 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.407 9.904 -26.981 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.519 10.739 -27.722 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.234 9.601 -27.680 1.00 0.00 N ATOM 0 HA HIS A 89 15.229 12.678 -24.291 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.574 12.943 -26.444 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.384 11.442 -26.043 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.216 9.219 -26.774 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.558 10.845 -28.204 1.00 0.00 H new ATOM 0 HE2 HIS A 89 13.973 8.699 -28.078 1.00 0.00 H new ATOM 1350 N VAL A 90 15.265 10.372 -23.212 1.00 0.00 N ATOM 1351 CA VAL A 90 15.230 9.233 -22.298 1.00 0.00 C ATOM 1352 C VAL A 90 14.663 8.065 -23.109 1.00 0.00 C ATOM 1353 O VAL A 90 13.519 8.125 -23.558 1.00 0.00 O ATOM 1354 CB VAL A 90 14.366 9.571 -21.058 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.643 8.561 -19.938 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.593 10.988 -20.497 1.00 0.00 C ATOM 0 H VAL A 90 14.339 10.651 -23.537 1.00 0.00 H new ATOM 0 HA VAL A 90 16.216 8.977 -21.911 1.00 0.00 H new ATOM 0 HB VAL A 90 13.332 9.521 -21.401 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.032 8.805 -19.069 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.397 7.557 -20.284 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.697 8.602 -19.663 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.950 11.144 -19.631 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.636 11.099 -20.200 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.354 11.725 -21.263 1.00 0.00 H new ATOM 1366 N TYR A 91 15.459 7.027 -23.361 1.00 0.00 N ATOM 1367 CA TYR A 91 15.092 5.978 -24.314 1.00 0.00 C ATOM 1368 C TYR A 91 15.882 4.691 -24.079 1.00 0.00 C ATOM 1369 O TYR A 91 16.643 4.591 -23.113 1.00 0.00 O ATOM 1370 CB TYR A 91 15.286 6.510 -25.749 1.00 0.00 C ATOM 1371 CG TYR A 91 16.703 6.619 -26.310 1.00 0.00 C ATOM 1372 CD1 TYR A 91 17.817 6.920 -25.496 1.00 0.00 C ATOM 1373 CD2 TYR A 91 16.893 6.470 -27.698 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.094 7.067 -26.057 1.00 0.00 C ATOM 1375 CE2 TYR A 91 18.168 6.633 -28.272 1.00 0.00 C ATOM 1376 CZ TYR A 91 19.276 6.942 -27.451 1.00 0.00 C ATOM 1377 OH TYR A 91 20.519 7.121 -27.983 1.00 0.00 O ATOM 0 H TYR A 91 16.367 6.889 -22.917 1.00 0.00 H new ATOM 0 HA TYR A 91 14.043 5.721 -24.167 1.00 0.00 H new ATOM 0 HB2 TYR A 91 14.715 5.867 -26.419 1.00 0.00 H new ATOM 0 HB3 TYR A 91 14.835 7.501 -25.797 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.684 7.038 -24.431 1.00 0.00 H new ATOM 0 HD2 TYR A 91 16.051 6.228 -28.329 1.00 0.00 H new ATOM 0 HE1 TYR A 91 19.941 7.277 -25.420 1.00 0.00 H new ATOM 0 HE2 TYR A 91 18.299 6.522 -29.338 1.00 0.00 H new ATOM 0 HH TYR A 91 20.479 7.000 -28.955 1.00 0.00 H new ATOM 1387 N GLY A 92 15.730 3.713 -24.976 1.00 0.00 N ATOM 1388 CA GLY A 92 16.392 2.425 -24.861 1.00 0.00 C ATOM 1389 C GLY A 92 15.692 1.560 -23.818 1.00 0.00 C ATOM 1390 O GLY A 92 14.503 1.740 -23.540 1.00 0.00 O ATOM 0 H GLY A 92 15.140 3.800 -25.804 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.387 1.918 -25.826 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.436 2.569 -24.582 1.00 0.00 H new ATOM 1394 N TYR A 93 16.426 0.597 -23.264 1.00 0.00 N ATOM 1395 CA TYR A 93 15.935 -0.315 -22.240 1.00 0.00 C ATOM 1396 C TYR A 93 17.073 -0.648 -21.282 1.00 0.00 C ATOM 1397 O TYR A 93 18.243 -0.612 -21.675 1.00 0.00 O ATOM 1398 CB TYR A 93 15.371 -1.587 -22.897 1.00 0.00 C ATOM 1399 CG TYR A 93 16.335 -2.371 -23.773 1.00 0.00 C ATOM 1400 CD1 TYR A 93 16.496 -2.031 -25.132 1.00 0.00 C ATOM 1401 CD2 TYR A 93 17.055 -3.457 -23.238 1.00 0.00 C ATOM 1402 CE1 TYR A 93 17.374 -2.765 -25.950 1.00 0.00 C ATOM 1403 CE2 TYR A 93 17.937 -4.194 -24.048 1.00 0.00 C ATOM 1404 CZ TYR A 93 18.099 -3.853 -25.411 1.00 0.00 C ATOM 1405 OH TYR A 93 18.943 -4.588 -26.190 1.00 0.00 O ATOM 0 H TYR A 93 17.398 0.428 -23.522 1.00 0.00 H new ATOM 0 HA TYR A 93 15.129 0.156 -21.677 1.00 0.00 H new ATOM 0 HB2 TYR A 93 15.008 -2.248 -22.110 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.508 -1.307 -23.501 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.942 -1.202 -25.547 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.929 -3.725 -22.199 1.00 0.00 H new ATOM 0 HE1 TYR A 93 17.494 -2.498 -26.989 1.00 0.00 H new ATOM 0 HE2 TYR A 93 18.491 -5.021 -23.629 1.00 0.00 H new ATOM 0 HH TYR A 93 19.356 -5.294 -25.650 1.00 0.00 H new ATOM 1415 N SER A 94 16.744 -0.977 -20.030 1.00 0.00 N ATOM 1416 CA SER A 94 17.737 -1.443 -19.083 1.00 0.00 C ATOM 1417 C SER A 94 18.210 -2.825 -19.513 1.00 0.00 C ATOM 1418 O SER A 94 17.391 -3.726 -19.712 1.00 0.00 O ATOM 1419 CB SER A 94 17.182 -1.440 -17.657 1.00 0.00 C ATOM 1420 OG SER A 94 18.028 -2.166 -16.780 1.00 0.00 O ATOM 0 H SER A 94 15.796 -0.926 -19.657 1.00 0.00 H new ATOM 0 HA SER A 94 18.591 -0.766 -19.078 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.082 -0.414 -17.304 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.184 -1.878 -17.651 1.00 0.00 H new ATOM 0 HG SER A 94 17.653 -2.148 -15.875 1.00 0.00 H new ATOM 1426 N MET A 95 19.530 -3.016 -19.575 1.00 0.00 N ATOM 1427 CA MET A 95 20.134 -4.330 -19.778 1.00 0.00 C ATOM 1428 C MET A 95 19.866 -5.301 -18.611 1.00 0.00 C ATOM 1429 O MET A 95 20.160 -6.490 -18.748 1.00 0.00 O ATOM 1430 CB MET A 95 21.633 -4.204 -20.118 1.00 0.00 C ATOM 1431 CG MET A 95 22.496 -3.354 -19.170 1.00 0.00 C ATOM 1432 SD MET A 95 22.594 -3.847 -17.422 1.00 0.00 S ATOM 1433 CE MET A 95 23.477 -5.425 -17.562 1.00 0.00 C ATOM 0 H MET A 95 20.209 -2.261 -19.485 1.00 0.00 H new ATOM 0 HA MET A 95 19.643 -4.779 -20.641 1.00 0.00 H new ATOM 0 HB2 MET A 95 22.057 -5.207 -20.154 1.00 0.00 H new ATOM 0 HB3 MET A 95 21.719 -3.785 -21.121 1.00 0.00 H new ATOM 0 HG2 MET A 95 23.510 -3.337 -19.568 1.00 0.00 H new ATOM 0 HG3 MET A 95 22.122 -2.331 -19.207 1.00 0.00 H new ATOM 0 HE1 MET A 95 23.615 -5.854 -16.570 1.00 0.00 H new ATOM 0 HE2 MET A 95 22.897 -6.113 -18.177 1.00 0.00 H new ATOM 0 HE3 MET A 95 24.450 -5.258 -18.023 1.00 0.00 H new ATOM 1443 N ALA A 96 19.288 -4.836 -17.492 1.00 0.00 N ATOM 1444 CA ALA A 96 18.996 -5.655 -16.319 1.00 0.00 C ATOM 1445 C ALA A 96 17.493 -5.740 -16.019 1.00 0.00 C ATOM 1446 O ALA A 96 17.056 -6.755 -15.474 1.00 0.00 O ATOM 1447 CB ALA A 96 19.739 -5.078 -15.108 1.00 0.00 C ATOM 0 H ALA A 96 19.008 -3.861 -17.382 1.00 0.00 H new ATOM 0 HA ALA A 96 19.335 -6.670 -16.528 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.526 -5.684 -14.228 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.812 -5.085 -15.302 1.00 0.00 H new ATOM 0 HB3 ALA A 96 19.408 -4.054 -14.932 1.00 0.00 H new ATOM 1453 N TYR A 97 16.703 -4.726 -16.395 1.00 0.00 N ATOM 1454 CA TYR A 97 15.306 -4.583 -15.969 1.00 0.00 C ATOM 1455 C TYR A 97 14.335 -4.259 -17.115 1.00 0.00 C ATOM 1456 O TYR A 97 13.140 -4.094 -16.861 1.00 0.00 O ATOM 1457 CB TYR A 97 15.222 -3.513 -14.860 1.00 0.00 C ATOM 1458 CG TYR A 97 16.193 -3.677 -13.698 1.00 0.00 C ATOM 1459 CD1 TYR A 97 16.291 -4.911 -13.025 1.00 0.00 C ATOM 1460 CD2 TYR A 97 16.990 -2.593 -13.278 1.00 0.00 C ATOM 1461 CE1 TYR A 97 17.203 -5.080 -11.970 1.00 0.00 C ATOM 1462 CE2 TYR A 97 17.897 -2.748 -12.214 1.00 0.00 C ATOM 1463 CZ TYR A 97 18.015 -3.998 -11.559 1.00 0.00 C ATOM 1464 OH TYR A 97 18.883 -4.146 -10.520 1.00 0.00 O ATOM 0 H TYR A 97 17.019 -3.975 -17.009 1.00 0.00 H new ATOM 0 HA TYR A 97 14.987 -5.553 -15.587 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.390 -2.536 -15.312 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.207 -3.510 -14.462 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.659 -5.735 -13.323 1.00 0.00 H new ATOM 0 HD2 TYR A 97 16.904 -1.638 -13.776 1.00 0.00 H new ATOM 0 HE1 TYR A 97 17.284 -6.036 -11.473 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.504 -1.913 -11.896 1.00 0.00 H new ATOM 0 HH TYR A 97 19.617 -4.737 -10.789 1.00 0.00 H new ATOM 1474 N GLY A 98 14.802 -4.184 -18.365 1.00 0.00 N ATOM 1475 CA GLY A 98 13.949 -3.890 -19.514 1.00 0.00 C ATOM 1476 C GLY A 98 13.548 -2.411 -19.586 1.00 0.00 C ATOM 1477 O GLY A 98 14.039 -1.592 -18.799 1.00 0.00 O ATOM 0 H GLY A 98 15.783 -4.326 -18.606 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.471 -4.166 -20.430 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.050 -4.504 -19.462 1.00 0.00 H new ATOM 1481 N PRO A 99 12.717 -2.026 -20.569 1.00 0.00 N ATOM 1482 CA PRO A 99 12.351 -0.635 -20.793 1.00 0.00 C ATOM 1483 C PRO A 99 11.436 -0.126 -19.680 1.00 0.00 C ATOM 1484 O PRO A 99 10.414 -0.742 -19.359 1.00 0.00 O ATOM 1485 CB PRO A 99 11.662 -0.599 -22.161 1.00 0.00 C ATOM 1486 CG PRO A 99 11.101 -2.013 -22.325 1.00 0.00 C ATOM 1487 CD PRO A 99 12.099 -2.889 -21.567 1.00 0.00 C ATOM 0 HA PRO A 99 13.222 0.020 -20.781 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.871 0.151 -22.191 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.365 -0.353 -22.957 1.00 0.00 H new ATOM 0 HG2 PRO A 99 10.097 -2.096 -21.908 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.035 -2.298 -23.375 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.597 -3.733 -21.095 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.848 -3.301 -22.243 1.00 0.00 H new ATOM 1495 N ALA A 100 11.803 1.014 -19.097 1.00 0.00 N ATOM 1496 CA ALA A 100 10.943 1.753 -18.185 1.00 0.00 C ATOM 1497 C ALA A 100 9.842 2.477 -18.966 1.00 0.00 C ATOM 1498 O ALA A 100 9.916 2.636 -20.188 1.00 0.00 O ATOM 1499 CB ALA A 100 11.788 2.806 -17.472 1.00 0.00 C ATOM 0 H ALA A 100 12.712 1.451 -19.248 1.00 0.00 H new ATOM 0 HA ALA A 100 10.492 1.059 -17.475 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.160 3.371 -16.783 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.587 2.316 -16.916 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.221 3.484 -18.207 1.00 0.00 H new ATOM 1505 N GLN A 101 8.837 2.971 -18.238 1.00 0.00 N ATOM 1506 CA GLN A 101 7.846 3.883 -18.784 1.00 0.00 C ATOM 1507 C GLN A 101 8.507 5.262 -18.789 1.00 0.00 C ATOM 1508 O GLN A 101 8.325 6.042 -17.854 1.00 0.00 O ATOM 1509 CB GLN A 101 6.558 3.890 -17.942 1.00 0.00 C ATOM 1510 CG GLN A 101 5.760 2.584 -17.969 1.00 0.00 C ATOM 1511 CD GLN A 101 5.335 2.171 -19.381 1.00 0.00 C ATOM 1512 OE1 GLN A 101 5.914 1.273 -19.986 1.00 0.00 O ATOM 1513 NE2 GLN A 101 4.329 2.822 -19.945 1.00 0.00 N ATOM 0 H GLN A 101 8.693 2.746 -17.254 1.00 0.00 H new ATOM 0 HA GLN A 101 7.544 3.579 -19.786 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.819 4.117 -16.908 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.916 4.698 -18.294 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.361 1.788 -17.529 1.00 0.00 H new ATOM 0 HG3 GLN A 101 4.872 2.694 -17.346 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.854 3.567 -19.435 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.030 2.579 -20.889 1.00 0.00 H new ATOM 1522 N HIS A 102 9.298 5.571 -19.817 1.00 0.00 N ATOM 1523 CA HIS A 102 9.996 6.855 -19.928 1.00 0.00 C ATOM 1524 C HIS A 102 9.034 8.057 -19.935 1.00 0.00 C ATOM 1525 O HIS A 102 9.467 9.189 -19.713 1.00 0.00 O ATOM 1526 CB HIS A 102 10.916 6.840 -21.153 1.00 0.00 C ATOM 1527 CG HIS A 102 11.877 5.678 -21.155 1.00 0.00 C ATOM 1528 ND1 HIS A 102 12.870 5.479 -20.242 1.00 0.00 N flip ATOM 1529 CD2 HIS A 102 11.839 4.556 -21.955 1.00 0.00 C flip ATOM 1530 CE1 HIS A 102 13.452 4.232 -20.477 1.00 0.00 C flip ATOM 1531 NE2 HIS A 102 12.776 3.702 -21.505 1.00 0.00 N flip ATOM 0 H HIS A 102 9.474 4.938 -20.598 1.00 0.00 H new ATOM 0 HA HIS A 102 10.609 6.984 -19.036 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.308 6.803 -22.057 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.481 7.771 -21.187 1.00 0.00 H new ATOM 0 HD2 HIS A 102 11.176 4.392 -22.792 1.00 0.00 H new ATOM 0 HE1 HIS A 102 14.277 3.787 -19.941 1.00 0.00 H new ATOM 0 HE2 HIS A 102 12.949 2.775 -21.894 1.00 0.00 H new ATOM 1539 N ALA A 103 7.732 7.828 -20.147 1.00 0.00 N ATOM 1540 CA ALA A 103 6.685 8.823 -19.957 1.00 0.00 C ATOM 1541 C ALA A 103 6.683 9.347 -18.511 1.00 0.00 C ATOM 1542 O ALA A 103 6.545 10.549 -18.291 1.00 0.00 O ATOM 1543 CB ALA A 103 5.331 8.183 -20.283 1.00 0.00 C ATOM 0 H ALA A 103 7.376 6.925 -20.462 1.00 0.00 H new ATOM 0 HA ALA A 103 6.870 9.668 -20.621 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.538 8.918 -20.145 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.331 7.839 -21.317 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.160 7.336 -19.619 1.00 0.00 H new ATOM 1549 N ILE A 104 6.865 8.458 -17.523 1.00 0.00 N ATOM 1550 CA ILE A 104 6.961 8.827 -16.112 1.00 0.00 C ATOM 1551 C ILE A 104 8.188 9.725 -15.958 1.00 0.00 C ATOM 1552 O ILE A 104 8.082 10.824 -15.414 1.00 0.00 O ATOM 1553 CB ILE A 104 7.087 7.574 -15.205 1.00 0.00 C ATOM 1554 CG1 ILE A 104 6.003 6.498 -15.441 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.125 7.976 -13.718 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.603 6.834 -14.930 1.00 0.00 C ATOM 0 H ILE A 104 6.950 7.455 -17.688 1.00 0.00 H new ATOM 0 HA ILE A 104 6.056 9.349 -15.802 1.00 0.00 H new ATOM 0 HB ILE A 104 8.032 7.110 -15.489 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.940 6.303 -16.512 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.329 5.572 -14.967 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.214 7.082 -13.101 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.981 8.627 -13.539 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.207 8.505 -13.460 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.927 6.008 -15.151 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.638 6.996 -13.853 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.243 7.738 -15.422 1.00 0.00 H new ATOM 1568 N SER A 105 9.337 9.272 -16.466 1.00 0.00 N ATOM 1569 CA SER A 105 10.605 9.961 -16.332 1.00 0.00 C ATOM 1570 C SER A 105 10.515 11.379 -16.878 1.00 0.00 C ATOM 1571 O SER A 105 10.860 12.330 -16.182 1.00 0.00 O ATOM 1572 CB SER A 105 11.676 9.165 -17.075 1.00 0.00 C ATOM 1573 OG SER A 105 11.581 7.802 -16.707 1.00 0.00 O ATOM 0 H SER A 105 9.404 8.399 -16.990 1.00 0.00 H new ATOM 0 HA SER A 105 10.867 10.034 -15.277 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.545 9.273 -18.152 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.666 9.551 -16.834 1.00 0.00 H new ATOM 0 HG SER A 105 12.391 7.329 -16.992 1.00 0.00 H new ATOM 1579 N THR A 106 10.020 11.521 -18.104 1.00 0.00 N ATOM 1580 CA THR A 106 9.907 12.813 -18.758 1.00 0.00 C ATOM 1581 C THR A 106 8.951 13.737 -18.003 1.00 0.00 C ATOM 1582 O THR A 106 9.304 14.896 -17.795 1.00 0.00 O ATOM 1583 CB THR A 106 9.539 12.650 -20.243 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.531 11.686 -20.462 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.764 12.231 -21.055 1.00 0.00 C ATOM 0 H THR A 106 9.687 10.740 -18.669 1.00 0.00 H new ATOM 0 HA THR A 106 10.883 13.298 -18.732 1.00 0.00 H new ATOM 0 HB THR A 106 9.165 13.623 -20.562 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.904 10.788 -20.337 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.485 12.120 -22.103 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.539 12.992 -20.964 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.143 11.281 -20.678 1.00 0.00 H new ATOM 1593 N GLU A 107 7.797 13.259 -17.529 1.00 0.00 N ATOM 1594 CA GLU A 107 6.880 14.090 -16.756 1.00 0.00 C ATOM 1595 C GLU A 107 7.538 14.557 -15.453 1.00 0.00 C ATOM 1596 O GLU A 107 7.508 15.752 -15.146 1.00 0.00 O ATOM 1597 CB GLU A 107 5.563 13.346 -16.478 1.00 0.00 C ATOM 1598 CG GLU A 107 4.644 13.339 -17.708 1.00 0.00 C ATOM 1599 CD GLU A 107 3.291 12.667 -17.408 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.428 13.295 -16.752 1.00 0.00 O ATOM 1601 OE2 GLU A 107 3.053 11.520 -17.850 1.00 0.00 O ATOM 0 H GLU A 107 7.479 12.300 -17.669 1.00 0.00 H new ATOM 0 HA GLU A 107 6.642 14.974 -17.348 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.780 12.320 -16.180 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.048 13.818 -15.642 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.475 14.363 -18.041 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.137 12.814 -18.527 1.00 0.00 H new ATOM 1608 N LYS A 108 8.170 13.647 -14.700 1.00 0.00 N ATOM 1609 CA LYS A 108 8.821 14.004 -13.440 1.00 0.00 C ATOM 1610 C LYS A 108 9.969 14.980 -13.680 1.00 0.00 C ATOM 1611 O LYS A 108 10.077 15.971 -12.960 1.00 0.00 O ATOM 1612 CB LYS A 108 9.330 12.751 -12.706 1.00 0.00 C ATOM 1613 CG LYS A 108 8.256 11.806 -12.136 1.00 0.00 C ATOM 1614 CD LYS A 108 7.208 12.535 -11.281 1.00 0.00 C ATOM 1615 CE LYS A 108 6.514 11.622 -10.260 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.417 11.229 -9.152 1.00 0.00 N ATOM 0 H LYS A 108 8.242 12.659 -14.944 1.00 0.00 H new ATOM 0 HA LYS A 108 8.078 14.492 -12.809 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.955 12.182 -13.395 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.972 13.073 -11.886 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.755 11.296 -12.959 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.739 11.038 -11.532 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.689 13.359 -10.753 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.455 12.973 -11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.643 12.134 -9.852 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.150 10.727 -10.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.675 10.227 -9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.277 11.813 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.933 11.372 -8.243 1.00 0.00 H new ATOM 1630 N ILE A 109 10.808 14.738 -14.690 1.00 0.00 N ATOM 1631 CA ILE A 109 11.913 15.625 -15.031 1.00 0.00 C ATOM 1632 C ILE A 109 11.347 16.996 -15.400 1.00 0.00 C ATOM 1633 O ILE A 109 11.789 17.987 -14.828 1.00 0.00 O ATOM 1634 CB ILE A 109 12.791 14.998 -16.142 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.634 13.831 -15.574 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.743 16.034 -16.768 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.222 12.921 -16.663 1.00 0.00 C ATOM 0 H ILE A 109 10.737 13.919 -15.293 1.00 0.00 H new ATOM 0 HA ILE A 109 12.575 15.762 -14.176 1.00 0.00 H new ATOM 0 HB ILE A 109 12.114 14.630 -16.913 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.447 14.238 -14.972 1.00 0.00 H new ATOM 0 HG13 ILE A 109 13.012 13.233 -14.907 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.342 15.556 -17.543 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.161 16.844 -17.207 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.401 16.436 -15.997 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.801 12.124 -16.197 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.413 12.486 -17.250 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.870 13.506 -17.316 1.00 0.00 H new ATOM 1649 N LYS A 110 10.366 17.093 -16.305 1.00 0.00 N ATOM 1650 CA LYS A 110 9.845 18.395 -16.726 1.00 0.00 C ATOM 1651 C LYS A 110 9.263 19.162 -15.532 1.00 0.00 C ATOM 1652 O LYS A 110 9.437 20.378 -15.462 1.00 0.00 O ATOM 1653 CB LYS A 110 8.807 18.241 -17.850 1.00 0.00 C ATOM 1654 CG LYS A 110 9.457 17.848 -19.185 1.00 0.00 C ATOM 1655 CD LYS A 110 8.395 17.542 -20.249 1.00 0.00 C ATOM 1656 CE LYS A 110 9.083 17.235 -21.585 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.125 16.923 -22.674 1.00 0.00 N ATOM 0 H LYS A 110 9.922 16.293 -16.755 1.00 0.00 H new ATOM 0 HA LYS A 110 10.676 18.977 -17.124 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.076 17.484 -17.567 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.265 19.178 -17.973 1.00 0.00 H new ATOM 0 HG2 LYS A 110 10.100 18.657 -19.531 1.00 0.00 H new ATOM 0 HG3 LYS A 110 10.093 16.975 -19.040 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.787 16.693 -19.937 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.722 18.392 -20.361 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.692 18.090 -21.878 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.761 16.392 -21.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.648 16.725 -23.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.560 16.090 -22.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.494 17.736 -22.824 1.00 0.00 H new ATOM 1671 N ALA A 111 8.621 18.470 -14.582 1.00 0.00 N ATOM 1672 CA ALA A 111 8.110 19.088 -13.365 1.00 0.00 C ATOM 1673 C ALA A 111 9.249 19.610 -12.476 1.00 0.00 C ATOM 1674 O ALA A 111 9.198 20.757 -12.029 1.00 0.00 O ATOM 1675 CB ALA A 111 7.236 18.086 -12.599 1.00 0.00 C ATOM 0 H ALA A 111 8.444 17.467 -14.641 1.00 0.00 H new ATOM 0 HA ALA A 111 7.501 19.947 -13.648 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.857 18.554 -11.690 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.399 17.780 -13.226 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.831 17.211 -12.336 1.00 0.00 H new ATOM 1681 N LYS A 112 10.273 18.789 -12.204 1.00 0.00 N ATOM 1682 CA LYS A 112 11.385 19.158 -11.316 1.00 0.00 C ATOM 1683 C LYS A 112 12.367 20.138 -11.969 1.00 0.00 C ATOM 1684 O LYS A 112 13.105 20.816 -11.256 1.00 0.00 O ATOM 1685 CB LYS A 112 12.101 17.899 -10.800 1.00 0.00 C ATOM 1686 CG LYS A 112 11.243 17.089 -9.809 1.00 0.00 C ATOM 1687 CD LYS A 112 10.831 17.809 -8.512 1.00 0.00 C ATOM 1688 CE LYS A 112 12.036 18.340 -7.720 1.00 0.00 C ATOM 1689 NZ LYS A 112 11.630 19.006 -6.455 1.00 0.00 N ATOM 0 H LYS A 112 10.354 17.850 -12.594 1.00 0.00 H new ATOM 0 HA LYS A 112 10.956 19.686 -10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.367 17.265 -11.646 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.033 18.190 -10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.337 16.768 -10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.793 16.187 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.168 18.639 -8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.263 17.122 -7.885 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.711 17.515 -7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.591 19.046 -8.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.476 19.348 -5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.007 19.810 -6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.123 18.327 -5.852 1.00 0.00 H new ATOM 1703 N TYR A 113 12.361 20.232 -13.299 1.00 0.00 N ATOM 1704 CA TYR A 113 13.183 21.123 -14.111 1.00 0.00 C ATOM 1705 C TYR A 113 14.699 21.029 -13.797 1.00 0.00 C ATOM 1706 O TYR A 113 15.340 22.063 -13.590 1.00 0.00 O ATOM 1707 CB TYR A 113 12.581 22.543 -14.034 1.00 0.00 C ATOM 1708 CG TYR A 113 12.744 23.390 -15.283 1.00 0.00 C ATOM 1709 CD1 TYR A 113 11.783 23.295 -16.310 1.00 0.00 C ATOM 1710 CD2 TYR A 113 13.808 24.305 -15.403 1.00 0.00 C ATOM 1711 CE1 TYR A 113 11.874 24.119 -17.445 1.00 0.00 C ATOM 1712 CE2 TYR A 113 13.911 25.126 -16.541 1.00 0.00 C ATOM 1713 CZ TYR A 113 12.938 25.042 -17.565 1.00 0.00 C ATOM 1714 OH TYR A 113 13.039 25.850 -18.658 1.00 0.00 O ATOM 0 H TYR A 113 11.745 19.653 -13.870 1.00 0.00 H new ATOM 0 HA TYR A 113 13.152 20.803 -15.153 1.00 0.00 H new ATOM 0 HB2 TYR A 113 11.518 22.456 -13.811 1.00 0.00 H new ATOM 0 HB3 TYR A 113 13.040 23.069 -13.197 1.00 0.00 H new ATOM 0 HD1 TYR A 113 10.973 22.586 -16.224 1.00 0.00 H new ATOM 0 HD2 TYR A 113 14.547 24.377 -14.619 1.00 0.00 H new ATOM 0 HE1 TYR A 113 11.131 24.047 -18.226 1.00 0.00 H new ATOM 0 HE2 TYR A 113 14.733 25.821 -16.633 1.00 0.00 H new ATOM 0 HH TYR A 113 13.831 26.421 -18.571 1.00 0.00 H new ATOM 1771 N GLU A 117 14.169 20.881 -20.841 1.00 0.00 N ATOM 1772 CA GLU A 117 13.172 19.976 -21.402 1.00 0.00 C ATOM 1773 C GLU A 117 13.824 18.598 -21.600 1.00 0.00 C ATOM 1774 O GLU A 117 15.051 18.473 -21.567 1.00 0.00 O ATOM 1775 CB GLU A 117 12.640 20.553 -22.735 1.00 0.00 C ATOM 1776 CG GLU A 117 11.302 19.941 -23.179 1.00 0.00 C ATOM 1777 CD GLU A 117 10.776 20.593 -24.467 1.00 0.00 C ATOM 1778 OE1 GLU A 117 10.045 21.608 -24.391 1.00 0.00 O ATOM 1779 OE2 GLU A 117 11.077 20.076 -25.568 1.00 0.00 O ATOM 0 HA GLU A 117 12.322 19.868 -20.728 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.521 21.632 -22.633 1.00 0.00 H new ATOM 0 HB3 GLU A 117 13.383 20.387 -23.515 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.427 18.870 -23.339 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.566 20.061 -22.384 1.00 0.00 H new ATOM 1786 N VAL A 118 13.002 17.576 -21.840 1.00 0.00 N ATOM 1787 CA VAL A 118 13.380 16.214 -22.198 1.00 0.00 C ATOM 1788 C VAL A 118 12.328 15.675 -23.170 1.00 0.00 C ATOM 1789 O VAL A 118 11.245 16.248 -23.309 1.00 0.00 O ATOM 1790 CB VAL A 118 13.479 15.299 -20.955 1.00 0.00 C ATOM 1791 CG1 VAL A 118 14.862 15.342 -20.310 1.00 0.00 C ATOM 1792 CG2 VAL A 118 12.391 15.565 -19.904 1.00 0.00 C ATOM 0 H VAL A 118 11.990 17.688 -21.785 1.00 0.00 H new ATOM 0 HA VAL A 118 14.367 16.225 -22.661 1.00 0.00 H new ATOM 0 HB VAL A 118 13.310 14.293 -21.339 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.879 14.683 -19.442 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.610 15.012 -21.031 1.00 0.00 H new ATOM 0 HG13 VAL A 118 15.085 16.362 -19.996 1.00 0.00 H new ATOM 0 HG21 VAL A 118 12.525 14.886 -19.062 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.466 16.595 -19.555 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.409 15.403 -20.348 1.00 0.00 H new ATOM 1802 N THR A 119 12.624 14.547 -23.804 1.00 0.00 N ATOM 1803 CA THR A 119 11.730 13.810 -24.691 1.00 0.00 C ATOM 1804 C THR A 119 11.982 12.316 -24.444 1.00 0.00 C ATOM 1805 O THR A 119 12.945 11.966 -23.752 1.00 0.00 O ATOM 1806 CB THR A 119 11.998 14.230 -26.153 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.386 14.440 -26.369 1.00 0.00 O ATOM 1808 CG2 THR A 119 11.274 15.520 -26.539 1.00 0.00 C ATOM 0 H THR A 119 13.536 14.100 -23.710 1.00 0.00 H new ATOM 0 HA THR A 119 10.680 14.027 -24.495 1.00 0.00 H new ATOM 0 HB THR A 119 11.623 13.412 -26.769 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.809 13.593 -26.623 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.499 15.767 -27.577 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.199 15.382 -26.423 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.607 16.332 -25.893 1.00 0.00 H new ATOM 1816 N TRP A 120 11.149 11.426 -24.988 1.00 0.00 N ATOM 1817 CA TRP A 120 11.366 9.988 -24.876 1.00 0.00 C ATOM 1818 C TRP A 120 10.981 9.273 -26.158 1.00 0.00 C ATOM 1819 O TRP A 120 10.339 9.852 -27.041 1.00 0.00 O ATOM 1820 CB TRP A 120 10.588 9.374 -23.699 1.00 0.00 C ATOM 1821 CG TRP A 120 9.091 9.297 -23.813 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.252 10.352 -23.844 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.228 8.116 -23.896 1.00 0.00 C ATOM 1824 NE1 TRP A 120 6.943 9.920 -23.879 1.00 0.00 N ATOM 1825 CE2 TRP A 120 6.866 8.547 -23.918 1.00 0.00 C ATOM 1826 CE3 TRP A 120 8.448 6.722 -23.956 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 5.790 7.650 -23.971 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 7.374 5.811 -23.965 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.046 6.271 -23.977 1.00 0.00 C ATOM 0 H TRP A 120 10.313 11.682 -25.513 1.00 0.00 H new ATOM 0 HA TRP A 120 12.432 9.852 -24.692 1.00 0.00 H new ATOM 0 HB2 TRP A 120 10.964 8.364 -23.539 1.00 0.00 H new ATOM 0 HB3 TRP A 120 10.827 9.948 -22.804 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.561 11.387 -23.842 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.133 10.541 -23.876 1.00 0.00 H new ATOM 0 HE3 TRP A 120 9.460 6.347 -23.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 4.775 8.017 -24.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 7.573 4.749 -23.963 1.00 0.00 H new ATOM 0 HH2 TRP A 120 5.227 5.567 -23.991 1.00 0.00 H new ATOM 1840 N ALA A 121 11.344 7.995 -26.219 1.00 0.00 N ATOM 1841 CA ALA A 121 10.907 7.062 -27.232 1.00 0.00 C ATOM 1842 C ALA A 121 10.826 5.683 -26.578 1.00 0.00 C ATOM 1843 O ALA A 121 11.630 5.355 -25.702 1.00 0.00 O ATOM 1844 CB ALA A 121 11.881 7.063 -28.417 1.00 0.00 C ATOM 0 H ALA A 121 11.973 7.574 -25.536 1.00 0.00 H new ATOM 0 HA ALA A 121 9.931 7.344 -27.626 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.537 6.355 -29.171 1.00 0.00 H new ATOM 0 HB2 ALA A 121 11.925 8.062 -28.851 1.00 0.00 H new ATOM 0 HB3 ALA A 121 12.874 6.773 -28.072 1.00 0.00 H new