USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 747 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 72 TYR OH : rot 180:sc= -0.561 USER MOD Set 1.2: A 88 HIS : no HD1:sc= -1 K(o=-1.6,f=1.7) USER MOD Set 2.1: A 29 MET CE :methyl -111:sc= -2.33! (180deg=-3.59) USER MOD Set 2.2: A 70 SER OG : rot 145:sc= 1 USER MOD Set 3.1: A 11 GLN : amide:sc= 0 X(o=-0.16,f=-0.42) USER MOD Set 3.2: A 12 HIS : no HD1:sc= -0.161 K(o=-0.16,f=-0.82) USER MOD Single : A 1 MET CE :methyl 146:sc= -3.96! (180deg=-8.18!) USER MOD Single : A 1 MET N :NH3+ 139:sc= -1.88 (180deg=-5.87!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.361 X(o=0.36,f=-0.08) USER MOD Single : A 8 CYS SG : rot -10:sc= -5.49! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 108:sc= -0.118 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -111:sc= -0.148 (180deg=-1.08) USER MOD Single : A 28 HIS : no HD1:sc= 0.875 K(o=0.88,f=-6.9!) USER MOD Single : A 31 SER OG : rot 82:sc= 0.847 USER MOD Single : A 36 THR OG1 : rot 106:sc= 1.34 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.12) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.443 K(o=0.44,f=-1.5) USER MOD Single : A 50 GLN : amide:sc= -3.54! K(o=-3.5!,f=-0.15) USER MOD Single : A 51 GLN : amide:sc= -0.329 K(o=-0.33,f=-1.4) USER MOD Single : A 55 MET CE :methyl 162:sc= -0.166 (180deg=-0.61) USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.115) USER MOD Single : A 59 MET CE :methyl -156:sc= -4.52! (180deg=-9.48!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= 1.23 (180deg=0.178) USER MOD Single : A 65 ASN : amide:sc= -0.178 K(o=-0.18,f=-0.82) USER MOD Single : A 67 SER OG : rot -120:sc= -2.33! USER MOD Single : A 68 TYR OH : rot 135:sc= -4.43! USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HE2:sc= 0.0641 K(o=0.064,f=-1.1) USER MOD Single : A 80 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N MET A 1 6.029 -6.997 -8.994 1.00 0.00 N ATOM 62 CA MET A 1 5.425 -6.543 -10.236 1.00 0.00 C ATOM 63 C MET A 1 6.479 -6.355 -11.311 1.00 0.00 C ATOM 64 O MET A 1 7.656 -6.643 -11.101 1.00 0.00 O ATOM 65 CB MET A 1 4.639 -5.236 -10.036 1.00 0.00 C ATOM 66 CG MET A 1 5.479 -3.960 -9.999 1.00 0.00 C ATOM 67 SD MET A 1 5.373 -3.090 -8.425 1.00 0.00 S ATOM 68 CE MET A 1 6.198 -4.251 -7.349 1.00 0.00 C ATOM 0 H1 MET A 1 5.586 -6.505 -8.192 1.00 0.00 H new ATOM 0 H2 MET A 1 5.886 -8.022 -8.893 1.00 0.00 H new ATOM 0 H3 MET A 1 7.048 -6.789 -9.007 1.00 0.00 H new ATOM 0 HA MET A 1 4.726 -7.315 -10.558 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.908 -5.146 -10.840 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.079 -5.309 -9.103 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.521 -4.212 -10.199 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.153 -3.294 -10.798 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.743 -3.708 -6.577 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.459 -4.902 -6.881 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.896 -4.853 -7.930 1.00 0.00 H new ATOM 78 N ASP A 2 6.044 -5.890 -12.463 1.00 0.00 N ATOM 79 CA ASP A 2 6.936 -5.677 -13.592 1.00 0.00 C ATOM 80 C ASP A 2 7.956 -4.589 -13.279 1.00 0.00 C ATOM 81 O ASP A 2 7.609 -3.541 -12.739 1.00 0.00 O ATOM 82 CB ASP A 2 6.149 -5.313 -14.856 1.00 0.00 C ATOM 83 CG ASP A 2 6.953 -5.540 -16.120 1.00 0.00 C ATOM 84 OD1 ASP A 2 8.042 -4.946 -16.262 1.00 0.00 O ATOM 85 OD2 ASP A 2 6.505 -6.332 -16.979 1.00 0.00 O ATOM 0 H ASP A 2 5.070 -5.649 -12.647 1.00 0.00 H new ATOM 0 HA ASP A 2 7.467 -6.611 -13.774 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.236 -5.908 -14.897 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.846 -4.267 -14.804 1.00 0.00 H new ATOM 90 N ALA A 3 9.208 -4.845 -13.617 1.00 0.00 N ATOM 91 CA ALA A 3 10.277 -3.893 -13.373 1.00 0.00 C ATOM 92 C ALA A 3 10.070 -2.625 -14.195 1.00 0.00 C ATOM 93 O ALA A 3 10.444 -1.536 -13.776 1.00 0.00 O ATOM 94 CB ALA A 3 11.615 -4.527 -13.698 1.00 0.00 C ATOM 0 H ALA A 3 9.510 -5.710 -14.064 1.00 0.00 H new ATOM 0 HA ALA A 3 10.265 -3.616 -12.319 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.413 -3.808 -13.513 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.764 -5.404 -13.069 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.631 -4.825 -14.746 1.00 0.00 H new ATOM 100 N LYS A 4 9.450 -2.769 -15.357 1.00 0.00 N ATOM 101 CA LYS A 4 9.177 -1.624 -16.217 1.00 0.00 C ATOM 102 C LYS A 4 8.123 -0.741 -15.572 1.00 0.00 C ATOM 103 O LYS A 4 8.191 0.486 -15.649 1.00 0.00 O ATOM 104 CB LYS A 4 8.695 -2.091 -17.591 1.00 0.00 C ATOM 105 CG LYS A 4 9.742 -2.864 -18.376 1.00 0.00 C ATOM 106 CD LYS A 4 10.611 -1.940 -19.218 1.00 0.00 C ATOM 107 CE LYS A 4 9.786 -1.237 -20.284 1.00 0.00 C ATOM 108 NZ LYS A 4 10.618 -0.399 -21.181 1.00 0.00 N ATOM 0 H LYS A 4 9.127 -3.663 -15.726 1.00 0.00 H new ATOM 0 HA LYS A 4 10.097 -1.054 -16.347 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.813 -2.719 -17.463 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.386 -1.222 -18.172 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.371 -3.427 -17.687 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.249 -3.590 -19.023 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.089 -1.200 -18.576 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.408 -2.515 -19.690 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.253 -1.981 -20.877 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.032 -0.613 -19.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.011 0.059 -21.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.107 0.329 -20.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.321 -0.997 -21.661 1.00 0.00 H new ATOM 122 N ALA A 5 7.166 -1.382 -14.917 1.00 0.00 N ATOM 123 CA ALA A 5 6.098 -0.685 -14.225 1.00 0.00 C ATOM 124 C ALA A 5 6.620 -0.109 -12.918 1.00 0.00 C ATOM 125 O ALA A 5 6.444 1.073 -12.630 1.00 0.00 O ATOM 126 CB ALA A 5 4.953 -1.649 -13.956 1.00 0.00 C ATOM 0 H ALA A 5 7.110 -2.398 -14.852 1.00 0.00 H new ATOM 0 HA ALA A 5 5.735 0.133 -14.847 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.151 -1.125 -13.436 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.578 -2.041 -14.901 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.309 -2.473 -13.337 1.00 0.00 H new ATOM 132 N ARG A 6 7.275 -0.951 -12.134 1.00 0.00 N ATOM 133 CA ARG A 6 7.827 -0.527 -10.853 1.00 0.00 C ATOM 134 C ARG A 6 8.820 0.633 -11.026 1.00 0.00 C ATOM 135 O ARG A 6 8.972 1.484 -10.144 1.00 0.00 O ATOM 136 CB ARG A 6 8.507 -1.715 -10.179 1.00 0.00 C ATOM 137 CG ARG A 6 9.021 -1.423 -8.777 1.00 0.00 C ATOM 138 CD ARG A 6 9.423 -2.708 -8.073 1.00 0.00 C ATOM 139 NE ARG A 6 10.499 -3.415 -8.769 1.00 0.00 N ATOM 140 CZ ARG A 6 11.787 -3.060 -8.740 1.00 0.00 C ATOM 141 NH1 ARG A 6 12.193 -2.034 -8.005 1.00 0.00 N ATOM 142 NH2 ARG A 6 12.672 -3.751 -9.441 1.00 0.00 N ATOM 0 H ARG A 6 7.438 -1.932 -12.361 1.00 0.00 H new ATOM 0 HA ARG A 6 7.012 -0.167 -10.225 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.801 -2.544 -10.130 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.341 -2.042 -10.799 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.876 -0.749 -8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.249 -0.913 -8.200 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.742 -2.477 -7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.555 -3.362 -7.994 1.00 0.00 H new ATOM 0 HE ARG A 6 10.248 -4.238 -9.316 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.519 -1.504 -7.452 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.179 -1.774 -7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.369 -4.549 -9.999 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.657 -3.485 -9.423 1.00 0.00 H new ATOM 156 N ASN A 7 9.483 0.664 -12.172 1.00 0.00 N ATOM 157 CA ASN A 7 10.447 1.707 -12.469 1.00 0.00 C ATOM 158 C ASN A 7 9.767 2.964 -12.950 1.00 0.00 C ATOM 159 O ASN A 7 9.993 3.999 -12.377 1.00 0.00 O ATOM 160 CB ASN A 7 11.471 1.246 -13.503 1.00 0.00 C ATOM 161 CG ASN A 7 12.726 0.664 -12.881 1.00 0.00 C ATOM 162 OD1 ASN A 7 13.408 1.321 -12.095 1.00 0.00 O ATOM 163 ND2 ASN A 7 13.035 -0.571 -13.232 1.00 0.00 N ATOM 0 H ASN A 7 9.368 -0.026 -12.914 1.00 0.00 H new ATOM 0 HA ASN A 7 10.970 1.927 -11.538 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.013 0.498 -14.150 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.745 2.090 -14.136 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.868 -1.017 -12.848 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.441 -1.079 -13.887 1.00 0.00 H new ATOM 170 N CYS A 8 8.925 2.890 -13.979 1.00 0.00 N ATOM 171 CA CYS A 8 8.229 4.090 -14.479 1.00 0.00 C ATOM 172 C CYS A 8 7.577 4.851 -13.334 1.00 0.00 C ATOM 173 O CYS A 8 7.380 6.066 -13.398 1.00 0.00 O ATOM 174 CB CYS A 8 7.177 3.706 -15.523 1.00 0.00 C ATOM 175 SG CYS A 8 5.893 2.579 -14.943 1.00 0.00 S ATOM 0 H CYS A 8 8.706 2.030 -14.481 1.00 0.00 H new ATOM 0 HA CYS A 8 8.968 4.738 -14.950 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.701 4.616 -15.887 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.683 3.248 -16.373 1.00 0.00 H new ATOM 0 HG CYS A 8 6.213 2.125 -13.768 1.00 0.00 H new ATOM 181 N LEU A 9 7.293 4.111 -12.281 1.00 0.00 N ATOM 182 CA LEU A 9 6.707 4.638 -11.074 1.00 0.00 C ATOM 183 C LEU A 9 7.728 5.448 -10.275 1.00 0.00 C ATOM 184 O LEU A 9 7.545 6.644 -10.059 1.00 0.00 O ATOM 185 CB LEU A 9 6.182 3.463 -10.242 1.00 0.00 C ATOM 186 CG LEU A 9 6.079 3.703 -8.744 1.00 0.00 C ATOM 187 CD1 LEU A 9 4.882 4.580 -8.428 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.997 2.380 -7.997 1.00 0.00 C ATOM 0 H LEU A 9 7.468 3.107 -12.244 1.00 0.00 H new ATOM 0 HA LEU A 9 5.889 5.312 -11.329 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.195 3.191 -10.615 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.833 2.605 -10.409 1.00 0.00 H new ATOM 0 HG LEU A 9 6.977 4.224 -8.413 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.823 4.742 -7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.990 5.540 -8.934 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.971 4.090 -8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.924 2.571 -6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.117 1.829 -8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.892 1.791 -8.200 1.00 0.00 H new ATOM 200 N LEU A 10 8.795 4.801 -9.818 1.00 0.00 N ATOM 201 CA LEU A 10 9.800 5.496 -9.009 1.00 0.00 C ATOM 202 C LEU A 10 10.846 6.258 -9.840 1.00 0.00 C ATOM 203 O LEU A 10 11.525 7.149 -9.335 1.00 0.00 O ATOM 204 CB LEU A 10 10.470 4.484 -8.088 1.00 0.00 C ATOM 205 CG LEU A 10 9.752 4.217 -6.772 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.329 2.990 -6.094 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.868 5.411 -5.851 1.00 0.00 C ATOM 0 H LEU A 10 8.988 3.814 -9.988 1.00 0.00 H new ATOM 0 HA LEU A 10 9.284 6.261 -8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.569 3.541 -8.625 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.479 4.833 -7.867 1.00 0.00 H new ATOM 0 HG LEU A 10 8.699 4.041 -6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.805 2.813 -5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.209 2.124 -6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.389 3.149 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.349 5.201 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.920 5.611 -5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.419 6.283 -6.327 1.00 0.00 H new ATOM 219 N GLN A 11 10.960 5.909 -11.106 1.00 0.00 N ATOM 220 CA GLN A 11 11.901 6.549 -12.023 1.00 0.00 C ATOM 221 C GLN A 11 11.480 7.985 -12.295 1.00 0.00 C ATOM 222 O GLN A 11 12.320 8.870 -12.450 1.00 0.00 O ATOM 223 CB GLN A 11 11.966 5.737 -13.318 1.00 0.00 C ATOM 224 CG GLN A 11 12.408 6.495 -14.555 1.00 0.00 C ATOM 225 CD GLN A 11 11.576 6.105 -15.761 1.00 0.00 C ATOM 226 OE1 GLN A 11 10.665 6.825 -16.160 1.00 0.00 O ATOM 227 NE2 GLN A 11 11.847 4.935 -16.316 1.00 0.00 N ATOM 0 H GLN A 11 10.403 5.171 -11.536 1.00 0.00 H new ATOM 0 HA GLN A 11 12.894 6.577 -11.573 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.648 4.900 -13.165 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.980 5.314 -13.508 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.319 7.567 -14.379 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.460 6.291 -14.754 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.612 4.365 -15.956 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.290 4.603 -17.104 1.00 0.00 H new ATOM 236 N HIS A 12 10.172 8.222 -12.308 1.00 0.00 N ATOM 237 CA HIS A 12 9.640 9.554 -12.512 1.00 0.00 C ATOM 238 C HIS A 12 9.606 10.292 -11.188 1.00 0.00 C ATOM 239 O HIS A 12 8.660 10.992 -10.869 1.00 0.00 O ATOM 240 CB HIS A 12 8.261 9.496 -13.165 1.00 0.00 C ATOM 241 CG HIS A 12 8.338 9.460 -14.667 1.00 0.00 C ATOM 242 ND1 HIS A 12 8.833 10.505 -15.413 1.00 0.00 N ATOM 243 CD2 HIS A 12 8.009 8.493 -15.556 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.805 10.190 -16.692 1.00 0.00 C ATOM 245 NE2 HIS A 12 8.314 8.972 -16.813 1.00 0.00 N ATOM 0 H HIS A 12 9.462 7.501 -12.178 1.00 0.00 H new ATOM 0 HA HIS A 12 10.290 10.102 -13.194 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.731 8.612 -12.810 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.678 10.363 -12.855 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.586 7.527 -15.324 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.130 10.823 -17.505 1.00 0.00 H new ATOM 0 HE2 HIS A 12 8.182 8.468 -17.690 1.00 0.00 H new ATOM 254 N ARG A 13 10.677 10.092 -10.439 1.00 0.00 N ATOM 255 CA ARG A 13 10.895 10.683 -9.121 1.00 0.00 C ATOM 256 C ARG A 13 10.562 12.175 -9.090 1.00 0.00 C ATOM 257 O ARG A 13 10.071 12.676 -8.084 1.00 0.00 O ATOM 258 CB ARG A 13 12.354 10.499 -8.720 1.00 0.00 C ATOM 259 CG ARG A 13 12.586 10.556 -7.222 1.00 0.00 C ATOM 260 CD ARG A 13 12.667 9.169 -6.623 1.00 0.00 C ATOM 261 NE ARG A 13 13.730 8.397 -7.259 1.00 0.00 N ATOM 262 CZ ARG A 13 14.078 7.163 -6.917 1.00 0.00 C ATOM 263 NH1 ARG A 13 13.506 6.552 -5.908 1.00 0.00 N ATOM 264 NH2 ARG A 13 15.022 6.539 -7.588 1.00 0.00 N ATOM 0 H ARG A 13 11.447 9.494 -10.738 1.00 0.00 H new ATOM 0 HA ARG A 13 10.229 10.175 -8.423 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.707 9.539 -9.097 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.954 11.271 -9.201 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.509 11.098 -7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.777 11.112 -6.748 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.853 9.240 -5.551 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.713 8.657 -6.748 1.00 0.00 H new ATOM 0 HE ARG A 13 14.243 8.838 -8.022 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.780 7.025 -5.370 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.787 5.603 -5.660 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.485 7.004 -8.369 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.291 5.590 -7.327 1.00 0.00 H new ATOM 278 N GLU A 14 10.834 12.870 -10.194 1.00 0.00 N ATOM 279 CA GLU A 14 10.559 14.299 -10.294 1.00 0.00 C ATOM 280 C GLU A 14 9.068 14.557 -10.072 1.00 0.00 C ATOM 281 O GLU A 14 8.666 15.638 -9.634 1.00 0.00 O ATOM 282 CB GLU A 14 10.977 14.842 -11.666 1.00 0.00 C ATOM 283 CG GLU A 14 12.362 14.413 -12.131 1.00 0.00 C ATOM 284 CD GLU A 14 12.322 13.168 -12.995 1.00 0.00 C ATOM 285 OE1 GLU A 14 11.948 12.093 -12.483 1.00 0.00 O ATOM 286 OE2 GLU A 14 12.625 13.272 -14.199 1.00 0.00 O ATOM 0 H GLU A 14 11.246 12.463 -11.033 1.00 0.00 H new ATOM 0 HA GLU A 14 11.138 14.814 -9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.245 14.519 -12.406 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.941 15.931 -11.636 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.822 15.227 -12.692 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.993 14.228 -11.262 1.00 0.00 H new ATOM 293 N ALA A 15 8.260 13.547 -10.359 1.00 0.00 N ATOM 294 CA ALA A 15 6.826 13.642 -10.173 1.00 0.00 C ATOM 295 C ALA A 15 6.388 12.733 -9.023 1.00 0.00 C ATOM 296 O ALA A 15 5.392 13.004 -8.354 1.00 0.00 O ATOM 297 CB ALA A 15 6.096 13.286 -11.458 1.00 0.00 C ATOM 0 H ALA A 15 8.579 12.649 -10.723 1.00 0.00 H new ATOM 0 HA ALA A 15 6.569 14.670 -9.918 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.020 13.363 -11.299 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.396 13.973 -12.249 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.348 12.266 -11.749 1.00 0.00 H new ATOM 303 N LEU A 16 7.163 11.664 -8.808 1.00 0.00 N ATOM 304 CA LEU A 16 6.915 10.682 -7.747 1.00 0.00 C ATOM 305 C LEU A 16 6.751 11.380 -6.399 1.00 0.00 C ATOM 306 O LEU A 16 5.637 11.681 -5.991 1.00 0.00 O ATOM 307 CB LEU A 16 8.078 9.670 -7.694 1.00 0.00 C ATOM 308 CG LEU A 16 7.782 8.324 -7.016 1.00 0.00 C ATOM 309 CD1 LEU A 16 7.766 8.451 -5.496 1.00 0.00 C ATOM 310 CD2 LEU A 16 6.464 7.766 -7.529 1.00 0.00 C ATOM 0 H LEU A 16 7.987 11.455 -9.371 1.00 0.00 H new ATOM 0 HA LEU A 16 5.990 10.148 -7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.407 9.473 -8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.914 10.138 -7.174 1.00 0.00 H new ATOM 0 HG LEU A 16 8.583 7.630 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.553 7.479 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.738 8.803 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.995 9.162 -5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.260 6.811 -7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.660 8.467 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.526 7.619 -8.607 1.00 0.00 H new ATOM 322 N GLU A 17 7.859 11.620 -5.716 1.00 0.00 N ATOM 323 CA GLU A 17 7.845 12.259 -4.397 1.00 0.00 C ATOM 324 C GLU A 17 7.262 13.682 -4.422 1.00 0.00 C ATOM 325 O GLU A 17 7.113 14.315 -3.376 1.00 0.00 O ATOM 326 CB GLU A 17 9.268 12.301 -3.827 1.00 0.00 C ATOM 327 CG GLU A 17 9.324 12.556 -2.328 1.00 0.00 C ATOM 328 CD GLU A 17 8.904 11.347 -1.515 1.00 0.00 C ATOM 329 OE1 GLU A 17 8.947 10.221 -2.051 1.00 0.00 O ATOM 330 OE2 GLU A 17 8.568 11.519 -0.326 1.00 0.00 O ATOM 0 H GLU A 17 8.792 11.381 -6.053 1.00 0.00 H new ATOM 0 HA GLU A 17 7.194 11.657 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.764 11.355 -4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.831 13.081 -4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.338 12.842 -2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.676 13.398 -2.082 1.00 0.00 H new ATOM 337 N LYS A 18 6.943 14.189 -5.602 1.00 0.00 N ATOM 338 CA LYS A 18 6.385 15.528 -5.728 1.00 0.00 C ATOM 339 C LYS A 18 4.871 15.511 -5.500 1.00 0.00 C ATOM 340 O LYS A 18 4.334 16.379 -4.806 1.00 0.00 O ATOM 341 CB LYS A 18 6.714 16.110 -7.116 1.00 0.00 C ATOM 342 CG LYS A 18 6.525 17.624 -7.236 1.00 0.00 C ATOM 343 CD LYS A 18 5.055 18.021 -7.367 1.00 0.00 C ATOM 344 CE LYS A 18 4.879 19.529 -7.408 1.00 0.00 C ATOM 345 NZ LYS A 18 3.444 19.921 -7.356 1.00 0.00 N ATOM 0 H LYS A 18 7.060 13.695 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 18 6.835 16.162 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.748 15.866 -7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.085 15.619 -7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.953 18.111 -6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.075 17.988 -8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.639 17.582 -8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.492 17.612 -6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.409 19.979 -6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.330 19.923 -8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.366 20.958 -7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.943 19.512 -8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.019 19.567 -6.475 1.00 0.00 H new ATOM 359 N ASP A 19 4.184 14.548 -6.103 1.00 0.00 N ATOM 360 CA ASP A 19 2.729 14.468 -5.982 1.00 0.00 C ATOM 361 C ASP A 19 2.277 13.218 -5.218 1.00 0.00 C ATOM 362 O ASP A 19 1.153 13.172 -4.717 1.00 0.00 O ATOM 363 CB ASP A 19 2.103 14.495 -7.381 1.00 0.00 C ATOM 364 CG ASP A 19 0.610 14.779 -7.367 1.00 0.00 C ATOM 365 OD1 ASP A 19 0.188 15.762 -6.713 1.00 0.00 O ATOM 366 OD2 ASP A 19 -0.145 14.055 -8.050 1.00 0.00 O ATOM 0 H ASP A 19 4.604 13.816 -6.676 1.00 0.00 H new ATOM 0 HA ASP A 19 2.391 15.329 -5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.604 15.254 -7.981 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.279 13.536 -7.869 1.00 0.00 H new ATOM 371 N ILE A 20 3.137 12.206 -5.134 1.00 0.00 N ATOM 372 CA ILE A 20 2.798 10.959 -4.436 1.00 0.00 C ATOM 373 C ILE A 20 2.458 11.213 -2.958 1.00 0.00 C ATOM 374 O ILE A 20 3.208 11.867 -2.224 1.00 0.00 O ATOM 375 CB ILE A 20 3.939 9.898 -4.583 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.359 8.474 -4.651 1.00 0.00 C ATOM 377 CG2 ILE A 20 4.958 10.000 -3.452 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.381 7.413 -5.037 1.00 0.00 C ATOM 0 H ILE A 20 4.073 12.220 -5.538 1.00 0.00 H new ATOM 0 HA ILE A 20 1.905 10.552 -4.910 1.00 0.00 H new ATOM 0 HB ILE A 20 4.457 10.111 -5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.932 8.219 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.542 8.458 -5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.733 9.246 -3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.411 10.992 -3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.459 9.835 -2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.899 6.436 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.790 7.643 -6.021 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.187 7.400 -4.303 1.00 0.00 H new ATOM 390 N LYS A 21 1.307 10.703 -2.542 1.00 0.00 N ATOM 391 CA LYS A 21 0.830 10.857 -1.176 1.00 0.00 C ATOM 392 C LYS A 21 -0.001 9.650 -0.777 1.00 0.00 C ATOM 393 O LYS A 21 -0.253 8.767 -1.598 1.00 0.00 O ATOM 394 CB LYS A 21 0.022 12.150 -1.025 1.00 0.00 C ATOM 395 CG LYS A 21 0.898 13.346 -0.691 1.00 0.00 C ATOM 396 CD LYS A 21 0.276 14.671 -1.118 1.00 0.00 C ATOM 397 CE LYS A 21 -0.546 15.301 -0.003 1.00 0.00 C ATOM 398 NZ LYS A 21 -0.766 16.756 -0.238 1.00 0.00 N ATOM 0 H LYS A 21 0.678 10.171 -3.143 1.00 0.00 H new ATOM 0 HA LYS A 21 1.691 10.922 -0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.519 12.347 -1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.724 12.019 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.083 13.366 0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.865 13.230 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.064 15.360 -1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.359 14.509 -1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.508 14.794 0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.037 15.159 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.330 17.152 0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.152 17.243 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.274 16.890 -1.136 1.00 0.00 H new ATOM 412 N THR A 22 -0.404 9.595 0.479 1.00 0.00 N ATOM 413 CA THR A 22 -1.184 8.469 0.969 1.00 0.00 C ATOM 414 C THR A 22 -2.648 8.866 1.245 1.00 0.00 C ATOM 415 O THR A 22 -3.425 9.018 0.305 1.00 0.00 O ATOM 416 CB THR A 22 -0.484 7.858 2.214 1.00 0.00 C ATOM 417 OG1 THR A 22 -1.308 6.867 2.838 1.00 0.00 O ATOM 418 CG2 THR A 22 -0.103 8.927 3.231 1.00 0.00 C ATOM 0 H THR A 22 -0.206 10.312 1.177 1.00 0.00 H new ATOM 0 HA THR A 22 -1.229 7.702 0.196 1.00 0.00 H new ATOM 0 HB THR A 22 0.431 7.383 1.858 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.938 5.977 2.663 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.384 8.458 4.086 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.580 9.640 2.770 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.000 9.448 3.565 1.00 0.00 H new ATOM 426 N SER A 23 -2.996 9.055 2.516 1.00 0.00 N ATOM 427 CA SER A 23 -4.341 9.455 2.944 1.00 0.00 C ATOM 428 C SER A 23 -5.487 8.770 2.169 1.00 0.00 C ATOM 429 O SER A 23 -5.773 7.588 2.374 1.00 0.00 O ATOM 430 CB SER A 23 -4.473 10.980 2.862 1.00 0.00 C ATOM 431 OG SER A 23 -3.508 11.621 3.683 1.00 0.00 O ATOM 0 H SER A 23 -2.344 8.934 3.291 1.00 0.00 H new ATOM 0 HA SER A 23 -4.448 9.116 3.974 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.349 11.304 1.829 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.475 11.279 3.172 1.00 0.00 H new ATOM 0 HG SER A 23 -3.612 12.593 3.612 1.00 0.00 H new ATOM 437 N TYR A 24 -6.143 9.539 1.301 1.00 0.00 N ATOM 438 CA TYR A 24 -7.279 9.077 0.499 1.00 0.00 C ATOM 439 C TYR A 24 -6.892 7.959 -0.460 1.00 0.00 C ATOM 440 O TYR A 24 -7.602 6.959 -0.581 1.00 0.00 O ATOM 441 CB TYR A 24 -7.832 10.254 -0.299 1.00 0.00 C ATOM 442 CG TYR A 24 -8.616 11.262 0.521 1.00 0.00 C ATOM 443 CD1 TYR A 24 -8.212 11.615 1.802 1.00 0.00 C ATOM 444 CD2 TYR A 24 -9.758 11.860 0.008 1.00 0.00 C ATOM 445 CE1 TYR A 24 -8.918 12.536 2.544 1.00 0.00 C ATOM 446 CE2 TYR A 24 -10.474 12.783 0.747 1.00 0.00 C ATOM 447 CZ TYR A 24 -10.049 13.116 2.016 1.00 0.00 C ATOM 448 OH TYR A 24 -10.749 14.032 2.762 1.00 0.00 O ATOM 0 H TYR A 24 -5.898 10.515 1.131 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.031 8.680 1.181 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -7.003 10.768 -0.785 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.476 9.869 -1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.328 11.159 2.224 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.093 11.600 -0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.585 12.802 3.536 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.361 13.240 0.333 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.521 14.350 2.249 1.00 0.00 H new ATOM 458 N ILE A 25 -5.776 8.141 -1.148 1.00 0.00 N ATOM 459 CA ILE A 25 -5.290 7.155 -2.110 1.00 0.00 C ATOM 460 C ILE A 25 -5.176 5.772 -1.474 1.00 0.00 C ATOM 461 O ILE A 25 -5.729 4.790 -1.971 1.00 0.00 O ATOM 462 CB ILE A 25 -3.921 7.577 -2.688 1.00 0.00 C ATOM 463 CG1 ILE A 25 -4.082 8.853 -3.514 1.00 0.00 C ATOM 464 CG2 ILE A 25 -3.311 6.466 -3.525 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.795 9.343 -4.130 1.00 0.00 C ATOM 0 H ILE A 25 -5.184 8.967 -1.060 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.017 7.106 -2.921 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.240 7.773 -1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.808 8.673 -4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.492 9.638 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.348 6.793 -3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.168 5.580 -2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.978 6.226 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.988 10.251 -4.701 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.072 9.556 -3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.394 8.576 -4.793 1.00 0.00 H new ATOM 477 N MET A 26 -4.476 5.712 -0.359 1.00 0.00 N ATOM 478 CA MET A 26 -4.291 4.473 0.369 1.00 0.00 C ATOM 479 C MET A 26 -5.576 4.054 1.066 1.00 0.00 C ATOM 480 O MET A 26 -5.728 2.897 1.442 1.00 0.00 O ATOM 481 CB MET A 26 -3.184 4.642 1.412 1.00 0.00 C ATOM 482 CG MET A 26 -2.875 3.367 2.180 1.00 0.00 C ATOM 483 SD MET A 26 -1.906 3.656 3.666 1.00 0.00 S ATOM 484 CE MET A 26 -3.085 4.552 4.674 1.00 0.00 C ATOM 0 H MET A 26 -4.020 6.519 0.067 1.00 0.00 H new ATOM 0 HA MET A 26 -4.011 3.699 -0.346 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.277 4.986 0.915 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.476 5.420 2.117 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.810 2.879 2.453 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.335 2.680 1.529 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.760 5.587 4.782 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.065 4.528 4.197 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.149 4.088 5.658 1.00 0.00 H new ATOM 494 N ASP A 27 -6.514 4.981 1.228 1.00 0.00 N ATOM 495 CA ASP A 27 -7.765 4.640 1.893 1.00 0.00 C ATOM 496 C ASP A 27 -8.568 3.732 0.994 1.00 0.00 C ATOM 497 O ASP A 27 -9.172 2.764 1.443 1.00 0.00 O ATOM 498 CB ASP A 27 -8.566 5.891 2.243 1.00 0.00 C ATOM 499 CG ASP A 27 -9.701 5.595 3.198 1.00 0.00 C ATOM 500 OD1 ASP A 27 -9.428 5.114 4.316 1.00 0.00 O ATOM 501 OD2 ASP A 27 -10.866 5.849 2.846 1.00 0.00 O ATOM 0 H ASP A 27 -6.436 5.949 0.917 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.540 4.126 2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.903 6.632 2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.967 6.331 1.330 1.00 0.00 H new ATOM 506 N HIS A 28 -8.530 4.038 -0.285 1.00 0.00 N ATOM 507 CA HIS A 28 -9.223 3.245 -1.281 1.00 0.00 C ATOM 508 C HIS A 28 -8.568 1.880 -1.419 1.00 0.00 C ATOM 509 O HIS A 28 -9.237 0.894 -1.687 1.00 0.00 O ATOM 510 CB HIS A 28 -9.229 3.968 -2.624 1.00 0.00 C ATOM 511 CG HIS A 28 -9.901 5.301 -2.559 1.00 0.00 C ATOM 512 ND1 HIS A 28 -11.194 5.465 -2.122 1.00 0.00 N ATOM 513 CD2 HIS A 28 -9.447 6.539 -2.852 1.00 0.00 C ATOM 514 CE1 HIS A 28 -11.507 6.744 -2.148 1.00 0.00 C ATOM 515 NE2 HIS A 28 -10.464 7.418 -2.588 1.00 0.00 N ATOM 0 H HIS A 28 -8.022 4.838 -0.663 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.254 3.105 -0.957 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.202 4.100 -2.966 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.734 3.347 -3.364 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.465 6.789 -3.225 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.457 7.168 -1.858 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.421 8.430 -2.712 1.00 0.00 H new ATOM 524 N MET A 29 -7.253 1.832 -1.224 1.00 0.00 N ATOM 525 CA MET A 29 -6.514 0.573 -1.326 1.00 0.00 C ATOM 526 C MET A 29 -6.874 -0.385 -0.191 1.00 0.00 C ATOM 527 O MET A 29 -6.997 -1.595 -0.399 1.00 0.00 O ATOM 528 CB MET A 29 -5.008 0.828 -1.321 1.00 0.00 C ATOM 529 CG MET A 29 -4.490 1.485 -2.584 1.00 0.00 C ATOM 530 SD MET A 29 -2.720 1.229 -2.801 1.00 0.00 S ATOM 531 CE MET A 29 -2.683 -0.525 -3.174 1.00 0.00 C ATOM 0 H MET A 29 -6.679 2.643 -0.996 1.00 0.00 H new ATOM 0 HA MET A 29 -6.798 0.109 -2.271 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.760 1.459 -0.467 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.490 -0.120 -1.178 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.023 1.084 -3.446 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.700 2.554 -2.549 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.223 -1.064 -2.346 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.700 -0.887 -3.322 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.103 -0.692 -4.082 1.00 0.00 H new ATOM 541 N ILE A 30 -7.040 0.154 1.008 1.00 0.00 N ATOM 542 CA ILE A 30 -7.381 -0.663 2.163 1.00 0.00 C ATOM 543 C ILE A 30 -8.868 -0.995 2.148 1.00 0.00 C ATOM 544 O ILE A 30 -9.266 -2.116 2.454 1.00 0.00 O ATOM 545 CB ILE A 30 -7.042 0.053 3.478 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.653 0.682 3.406 1.00 0.00 C ATOM 547 CG2 ILE A 30 -7.118 -0.912 4.649 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.257 1.418 4.662 1.00 0.00 C ATOM 0 H ILE A 30 -6.944 1.150 1.206 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.792 -1.578 2.103 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.776 0.845 3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.920 -0.099 3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.620 1.373 2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.874 -0.385 5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.126 -1.320 4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.408 -1.725 4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.259 1.838 4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.968 2.222 4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.257 0.726 5.504 1.00 0.00 H new ATOM 560 N SER A 31 -9.685 -0.012 1.769 1.00 0.00 N ATOM 561 CA SER A 31 -11.130 -0.205 1.690 1.00 0.00 C ATOM 562 C SER A 31 -11.463 -1.214 0.600 1.00 0.00 C ATOM 563 O SER A 31 -12.491 -1.888 0.653 1.00 0.00 O ATOM 564 CB SER A 31 -11.841 1.123 1.413 1.00 0.00 C ATOM 565 OG SER A 31 -11.656 2.040 2.479 1.00 0.00 O ATOM 0 H SER A 31 -9.370 0.924 1.513 1.00 0.00 H new ATOM 0 HA SER A 31 -11.479 -0.588 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.460 1.556 0.488 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.906 0.944 1.266 1.00 0.00 H new ATOM 0 HG SER A 31 -10.790 2.487 2.379 1.00 0.00 H new ATOM 571 N ASP A 32 -10.569 -1.326 -0.380 1.00 0.00 N ATOM 572 CA ASP A 32 -10.744 -2.271 -1.467 1.00 0.00 C ATOM 573 C ASP A 32 -10.281 -3.644 -1.015 1.00 0.00 C ATOM 574 O ASP A 32 -10.707 -4.664 -1.550 1.00 0.00 O ATOM 575 CB ASP A 32 -9.965 -1.837 -2.708 1.00 0.00 C ATOM 576 CG ASP A 32 -10.870 -1.405 -3.847 1.00 0.00 C ATOM 577 OD1 ASP A 32 -12.098 -1.608 -3.754 1.00 0.00 O ATOM 578 OD2 ASP A 32 -10.353 -0.875 -4.850 1.00 0.00 O ATOM 0 H ASP A 32 -9.716 -0.770 -0.439 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.801 -2.306 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.301 -1.014 -2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.335 -2.661 -3.043 1.00 0.00 H new ATOM 583 N GLY A 33 -9.417 -3.663 -0.001 1.00 0.00 N ATOM 584 CA GLY A 33 -8.941 -4.921 0.527 1.00 0.00 C ATOM 585 C GLY A 33 -7.606 -5.347 -0.036 1.00 0.00 C ATOM 586 O GLY A 33 -7.142 -6.452 0.243 1.00 0.00 O ATOM 0 H GLY A 33 -9.043 -2.832 0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.860 -4.843 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.678 -5.696 0.317 1.00 0.00 H new ATOM 590 N PHE A 34 -6.967 -4.487 -0.815 1.00 0.00 N ATOM 591 CA PHE A 34 -5.675 -4.830 -1.375 1.00 0.00 C ATOM 592 C PHE A 34 -4.600 -4.628 -0.323 1.00 0.00 C ATOM 593 O PHE A 34 -3.670 -5.421 -0.200 1.00 0.00 O ATOM 594 CB PHE A 34 -5.371 -4.005 -2.622 1.00 0.00 C ATOM 595 CG PHE A 34 -6.220 -4.360 -3.814 1.00 0.00 C ATOM 596 CD1 PHE A 34 -7.569 -4.057 -3.835 1.00 0.00 C ATOM 597 CD2 PHE A 34 -5.662 -4.984 -4.920 1.00 0.00 C ATOM 598 CE1 PHE A 34 -8.347 -4.362 -4.935 1.00 0.00 C ATOM 599 CE2 PHE A 34 -6.434 -5.290 -6.025 1.00 0.00 C ATOM 600 CZ PHE A 34 -7.781 -4.983 -6.031 1.00 0.00 C ATOM 0 H PHE A 34 -7.317 -3.563 -1.069 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.694 -5.877 -1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.512 -2.949 -2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.321 -4.136 -2.885 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.020 -3.576 -2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.611 -5.234 -4.918 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.398 -4.115 -4.938 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.985 -5.769 -6.883 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.389 -5.228 -6.889 1.00 0.00 H new ATOM 610 N LEU A 35 -4.767 -3.591 0.479 1.00 0.00 N ATOM 611 CA LEU A 35 -3.840 -3.331 1.562 1.00 0.00 C ATOM 612 C LEU A 35 -4.452 -3.838 2.856 1.00 0.00 C ATOM 613 O LEU A 35 -5.634 -3.609 3.121 1.00 0.00 O ATOM 614 CB LEU A 35 -3.492 -1.847 1.666 1.00 0.00 C ATOM 615 CG LEU A 35 -2.678 -1.295 0.493 1.00 0.00 C ATOM 616 CD1 LEU A 35 -2.262 0.140 0.758 1.00 0.00 C ATOM 617 CD2 LEU A 35 -1.453 -2.158 0.222 1.00 0.00 C ATOM 0 H LEU A 35 -5.531 -2.920 0.400 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.906 -3.856 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.417 -1.276 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.933 -1.683 2.587 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.313 -1.316 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.685 0.513 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.150 0.757 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.652 0.181 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.893 -1.743 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.818 -2.177 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.769 -3.173 -0.020 1.00 0.00 H new ATOM 629 N THR A 36 -3.669 -4.567 3.627 1.00 0.00 N ATOM 630 CA THR A 36 -4.153 -5.154 4.860 1.00 0.00 C ATOM 631 C THR A 36 -3.897 -4.255 6.063 1.00 0.00 C ATOM 632 O THR A 36 -3.341 -3.166 5.938 1.00 0.00 O ATOM 633 CB THR A 36 -3.503 -6.531 5.083 1.00 0.00 C ATOM 634 OG1 THR A 36 -2.739 -6.899 3.925 1.00 0.00 O ATOM 635 CG2 THR A 36 -4.570 -7.577 5.315 1.00 0.00 C ATOM 0 H THR A 36 -2.691 -4.767 3.420 1.00 0.00 H new ATOM 0 HA THR A 36 -5.232 -5.271 4.762 1.00 0.00 H new ATOM 0 HB THR A 36 -2.852 -6.473 5.955 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.783 -6.799 4.118 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.100 -8.548 5.472 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.155 -7.311 6.195 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.225 -7.627 4.445 1.00 0.00 H new ATOM 643 N ILE A 37 -4.312 -4.729 7.230 1.00 0.00 N ATOM 644 CA ILE A 37 -4.140 -3.994 8.473 1.00 0.00 C ATOM 645 C ILE A 37 -2.654 -3.743 8.733 1.00 0.00 C ATOM 646 O ILE A 37 -2.274 -2.671 9.189 1.00 0.00 O ATOM 647 CB ILE A 37 -4.757 -4.764 9.671 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.283 -4.863 9.545 1.00 0.00 C ATOM 649 CG2 ILE A 37 -4.394 -4.110 10.996 1.00 0.00 C ATOM 650 CD1 ILE A 37 -6.765 -5.925 8.580 1.00 0.00 C ATOM 0 H ILE A 37 -4.776 -5.631 7.340 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.659 -3.041 8.374 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.338 -5.770 9.651 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.704 -5.067 10.530 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.672 -3.896 9.226 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.842 -4.674 11.815 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.310 -4.100 11.112 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.770 -3.087 11.012 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.855 -5.925 8.554 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.378 -5.714 7.583 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.410 -6.902 8.907 1.00 0.00 H new ATOM 662 N SER A 38 -1.825 -4.731 8.413 1.00 0.00 N ATOM 663 CA SER A 38 -0.380 -4.610 8.591 1.00 0.00 C ATOM 664 C SER A 38 0.171 -3.545 7.650 1.00 0.00 C ATOM 665 O SER A 38 1.024 -2.736 8.028 1.00 0.00 O ATOM 666 CB SER A 38 0.300 -5.960 8.333 1.00 0.00 C ATOM 667 OG SER A 38 1.706 -5.880 8.521 1.00 0.00 O ATOM 0 H SER A 38 -2.128 -5.626 8.029 1.00 0.00 H new ATOM 0 HA SER A 38 -0.172 -4.311 9.618 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.115 -6.712 9.004 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.086 -6.288 7.316 1.00 0.00 H new ATOM 0 HG SER A 38 2.109 -6.757 8.350 1.00 0.00 H new ATOM 673 N GLU A 39 -0.349 -3.539 6.429 1.00 0.00 N ATOM 674 CA GLU A 39 0.046 -2.570 5.424 1.00 0.00 C ATOM 675 C GLU A 39 -0.350 -1.165 5.877 1.00 0.00 C ATOM 676 O GLU A 39 0.458 -0.234 5.835 1.00 0.00 O ATOM 677 CB GLU A 39 -0.613 -2.919 4.083 1.00 0.00 C ATOM 678 CG GLU A 39 0.227 -3.841 3.202 1.00 0.00 C ATOM 679 CD GLU A 39 0.247 -5.280 3.684 1.00 0.00 C ATOM 680 OE1 GLU A 39 -0.564 -5.632 4.564 1.00 0.00 O ATOM 681 OE2 GLU A 39 1.055 -6.077 3.159 1.00 0.00 O ATOM 0 H GLU A 39 -1.054 -4.205 6.112 1.00 0.00 H new ATOM 0 HA GLU A 39 1.128 -2.597 5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.575 -3.394 4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.815 -1.997 3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.161 -3.812 2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.249 -3.464 3.164 1.00 0.00 H new ATOM 688 N GLU A 40 -1.591 -1.040 6.340 1.00 0.00 N ATOM 689 CA GLU A 40 -2.120 0.229 6.841 1.00 0.00 C ATOM 690 C GLU A 40 -1.311 0.710 8.050 1.00 0.00 C ATOM 691 O GLU A 40 -0.952 1.883 8.147 1.00 0.00 O ATOM 692 CB GLU A 40 -3.593 0.060 7.249 1.00 0.00 C ATOM 693 CG GLU A 40 -4.181 1.266 7.975 1.00 0.00 C ATOM 694 CD GLU A 40 -5.627 1.060 8.397 1.00 0.00 C ATOM 695 OE1 GLU A 40 -5.907 0.047 9.066 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.479 1.920 8.084 1.00 0.00 O ATOM 0 H GLU A 40 -2.257 -1.811 6.379 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.044 0.970 6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.186 -0.137 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.683 -0.816 7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.578 1.481 8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.119 2.139 7.326 1.00 0.00 H new ATOM 703 N GLU A 41 -1.062 -0.216 8.970 1.00 0.00 N ATOM 704 CA GLU A 41 -0.335 0.057 10.206 1.00 0.00 C ATOM 705 C GLU A 41 0.964 0.831 9.993 1.00 0.00 C ATOM 706 O GLU A 41 1.121 1.925 10.514 1.00 0.00 O ATOM 707 CB GLU A 41 -0.039 -1.262 10.924 1.00 0.00 C ATOM 708 CG GLU A 41 0.799 -1.107 12.184 1.00 0.00 C ATOM 709 CD GLU A 41 1.016 -2.420 12.903 1.00 0.00 C ATOM 710 OE1 GLU A 41 0.026 -3.008 13.379 1.00 0.00 O ATOM 711 OE2 GLU A 41 2.178 -2.872 12.995 1.00 0.00 O ATOM 0 H GLU A 41 -1.362 -1.187 8.878 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.977 0.694 10.814 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.983 -1.742 11.184 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.479 -1.930 10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.765 -0.676 11.922 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.309 -0.405 12.858 1.00 0.00 H new ATOM 718 N LYS A 42 1.905 0.249 9.264 1.00 0.00 N ATOM 719 CA LYS A 42 3.205 0.893 9.048 1.00 0.00 C ATOM 720 C LYS A 42 3.094 2.282 8.412 1.00 0.00 C ATOM 721 O LYS A 42 3.710 3.233 8.899 1.00 0.00 O ATOM 722 CB LYS A 42 4.123 -0.009 8.217 1.00 0.00 C ATOM 723 CG LYS A 42 4.383 -1.364 8.860 1.00 0.00 C ATOM 724 CD LYS A 42 5.539 -2.104 8.198 1.00 0.00 C ATOM 725 CE LYS A 42 6.871 -1.429 8.487 1.00 0.00 C ATOM 726 NZ LYS A 42 8.021 -2.212 7.965 1.00 0.00 N ATOM 0 H LYS A 42 1.801 -0.660 8.813 1.00 0.00 H new ATOM 0 HA LYS A 42 3.643 1.040 10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.677 -0.161 7.234 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.075 0.499 8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.601 -1.226 9.919 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.481 -1.973 8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.566 -3.133 8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.377 -2.145 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.877 -0.435 8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.983 -1.295 9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.908 -1.715 8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.032 -3.152 8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.930 -2.318 6.934 1.00 0.00 H new ATOM 740 N VAL A 43 2.317 2.411 7.340 1.00 0.00 N ATOM 741 CA VAL A 43 2.158 3.707 6.678 1.00 0.00 C ATOM 742 C VAL A 43 1.571 4.728 7.653 1.00 0.00 C ATOM 743 O VAL A 43 2.043 5.858 7.747 1.00 0.00 O ATOM 744 CB VAL A 43 1.237 3.605 5.447 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.115 4.951 4.748 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.745 2.551 4.484 1.00 0.00 C ATOM 0 H VAL A 43 1.793 1.647 6.914 1.00 0.00 H new ATOM 0 HA VAL A 43 3.146 4.028 6.349 1.00 0.00 H new ATOM 0 HB VAL A 43 0.246 3.308 5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.460 4.853 3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.697 5.683 5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.101 5.282 4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.080 2.495 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.749 2.815 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.772 1.583 4.985 1.00 0.00 H new ATOM 756 N ARG A 44 0.535 4.312 8.379 1.00 0.00 N ATOM 757 CA ARG A 44 -0.131 5.184 9.349 1.00 0.00 C ATOM 758 C ARG A 44 0.751 5.475 10.569 1.00 0.00 C ATOM 759 O ARG A 44 0.638 6.542 11.170 1.00 0.00 O ATOM 760 CB ARG A 44 -1.445 4.560 9.819 1.00 0.00 C ATOM 761 CG ARG A 44 -2.562 4.620 8.790 1.00 0.00 C ATOM 762 CD ARG A 44 -3.246 5.989 8.761 1.00 0.00 C ATOM 763 NE ARG A 44 -4.375 6.028 7.827 1.00 0.00 N ATOM 764 CZ ARG A 44 -5.472 5.277 7.943 1.00 0.00 C ATOM 765 NH1 ARG A 44 -5.664 4.526 9.011 1.00 0.00 N ATOM 766 NH2 ARG A 44 -6.406 5.332 7.014 1.00 0.00 N ATOM 0 H ARG A 44 0.137 3.375 8.315 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.328 6.127 8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.266 3.518 10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.773 5.069 10.726 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.157 4.397 7.803 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.301 3.851 9.013 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.597 6.238 9.762 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.518 6.750 8.480 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.318 6.671 7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.970 4.516 9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.506 3.956 9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.289 5.947 6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.245 4.759 7.100 1.00 0.00 H new ATOM 780 N ASN A 45 1.611 4.520 10.939 1.00 0.00 N ATOM 781 CA ASN A 45 2.493 4.676 12.094 1.00 0.00 C ATOM 782 C ASN A 45 3.450 5.843 11.915 1.00 0.00 C ATOM 783 O ASN A 45 3.701 6.599 12.854 1.00 0.00 O ATOM 784 CB ASN A 45 3.304 3.403 12.333 1.00 0.00 C ATOM 785 CG ASN A 45 2.592 2.386 13.208 1.00 0.00 C ATOM 786 OD1 ASN A 45 3.174 1.369 13.581 1.00 0.00 O ATOM 787 ND2 ASN A 45 1.328 2.628 13.523 1.00 0.00 N ATOM 0 H ASN A 45 1.713 3.630 10.452 1.00 0.00 H new ATOM 0 HA ASN A 45 1.855 4.873 12.955 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.537 2.944 11.372 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.254 3.669 12.798 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.807 1.960 14.092 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.876 3.482 13.197 1.00 0.00 H new ATOM 794 N GLU A 46 3.994 5.980 10.714 1.00 0.00 N ATOM 795 CA GLU A 46 4.933 7.054 10.432 1.00 0.00 C ATOM 796 C GLU A 46 4.239 8.425 10.448 1.00 0.00 C ATOM 797 O GLU A 46 3.024 8.522 10.286 1.00 0.00 O ATOM 798 CB GLU A 46 5.657 6.771 9.121 1.00 0.00 C ATOM 799 CG GLU A 46 6.480 5.486 9.175 1.00 0.00 C ATOM 800 CD GLU A 46 7.573 5.518 10.236 1.00 0.00 C ATOM 801 OE1 GLU A 46 7.757 6.567 10.893 1.00 0.00 O ATOM 802 OE2 GLU A 46 8.264 4.495 10.416 1.00 0.00 O ATOM 0 H GLU A 46 3.802 5.364 9.924 1.00 0.00 H new ATOM 0 HA GLU A 46 5.683 7.093 11.222 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.927 6.698 8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.312 7.609 8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.816 4.645 9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.934 5.312 8.200 1.00 0.00 H new ATOM 809 N PRO A 47 5.001 9.496 10.737 1.00 0.00 N ATOM 810 CA PRO A 47 4.458 10.858 10.881 1.00 0.00 C ATOM 811 C PRO A 47 4.075 11.592 9.591 1.00 0.00 C ATOM 812 O PRO A 47 2.908 11.936 9.401 1.00 0.00 O ATOM 813 CB PRO A 47 5.587 11.627 11.590 1.00 0.00 C ATOM 814 CG PRO A 47 6.586 10.600 12.007 1.00 0.00 C ATOM 815 CD PRO A 47 6.438 9.465 11.041 1.00 0.00 C ATOM 0 HA PRO A 47 3.509 10.798 11.414 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.038 12.361 10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.205 12.173 12.453 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.597 11.006 11.980 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.402 10.269 13.029 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.046 9.610 10.148 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.740 8.515 11.481 1.00 0.00 H new ATOM 823 N THR A 48 5.049 11.913 8.745 1.00 0.00 N ATOM 824 CA THR A 48 4.764 12.694 7.542 1.00 0.00 C ATOM 825 C THR A 48 5.220 12.013 6.260 1.00 0.00 C ATOM 826 O THR A 48 5.654 10.864 6.283 1.00 0.00 O ATOM 827 CB THR A 48 5.473 14.056 7.641 1.00 0.00 C ATOM 828 OG1 THR A 48 6.869 13.847 7.908 1.00 0.00 O ATOM 829 CG2 THR A 48 4.863 14.908 8.746 1.00 0.00 C ATOM 0 H THR A 48 6.027 11.651 8.865 1.00 0.00 H new ATOM 0 HA THR A 48 3.681 12.803 7.492 1.00 0.00 H new ATOM 0 HB THR A 48 5.350 14.582 6.695 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.323 14.713 7.970 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.382 15.865 8.796 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.807 15.078 8.534 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.963 14.392 9.701 1.00 0.00 H new ATOM 837 N GLN A 49 5.143 12.770 5.152 1.00 0.00 N ATOM 838 CA GLN A 49 5.557 12.331 3.806 1.00 0.00 C ATOM 839 C GLN A 49 6.848 11.508 3.842 1.00 0.00 C ATOM 840 O GLN A 49 7.037 10.593 3.045 1.00 0.00 O ATOM 841 CB GLN A 49 5.777 13.576 2.932 1.00 0.00 C ATOM 842 CG GLN A 49 6.321 13.293 1.537 1.00 0.00 C ATOM 843 CD GLN A 49 5.244 12.935 0.536 1.00 0.00 C ATOM 844 OE1 GLN A 49 4.149 13.502 0.549 1.00 0.00 O ATOM 845 NE2 GLN A 49 5.561 12.026 -0.368 1.00 0.00 N ATOM 0 H GLN A 49 4.784 13.725 5.166 1.00 0.00 H new ATOM 0 HA GLN A 49 4.771 11.696 3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.830 14.106 2.836 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.467 14.246 3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.862 14.170 1.181 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.041 12.476 1.594 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.478 11.580 -0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.889 11.769 -1.091 1.00 0.00 H new ATOM 854 N GLN A 50 7.703 11.858 4.792 1.00 0.00 N ATOM 855 CA GLN A 50 8.986 11.214 5.021 1.00 0.00 C ATOM 856 C GLN A 50 8.865 9.693 5.052 1.00 0.00 C ATOM 857 O GLN A 50 8.936 9.036 4.015 1.00 0.00 O ATOM 858 CB GLN A 50 9.557 11.739 6.339 1.00 0.00 C ATOM 859 CG GLN A 50 10.917 11.181 6.710 1.00 0.00 C ATOM 860 CD GLN A 50 11.279 11.517 8.140 1.00 0.00 C ATOM 861 OE1 GLN A 50 11.440 12.683 8.495 1.00 0.00 O ATOM 862 NE2 GLN A 50 11.386 10.501 8.981 1.00 0.00 N ATOM 0 H GLN A 50 7.517 12.621 5.443 1.00 0.00 H new ATOM 0 HA GLN A 50 9.656 11.454 4.196 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.629 12.825 6.280 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.855 11.509 7.140 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.917 10.099 6.578 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.674 11.584 6.037 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.245 9.547 8.649 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.609 10.672 9.962 1.00 0.00 H new ATOM 871 N GLN A 51 8.687 9.134 6.230 1.00 0.00 N ATOM 872 CA GLN A 51 8.573 7.695 6.362 1.00 0.00 C ATOM 873 C GLN A 51 7.140 7.219 6.140 1.00 0.00 C ATOM 874 O GLN A 51 6.901 6.022 6.065 1.00 0.00 O ATOM 875 CB GLN A 51 9.050 7.263 7.742 1.00 0.00 C ATOM 876 CG GLN A 51 10.538 7.450 7.975 1.00 0.00 C ATOM 877 CD GLN A 51 11.389 6.498 7.156 1.00 0.00 C ATOM 878 OE1 GLN A 51 11.475 6.610 5.934 1.00 0.00 O ATOM 879 NE2 GLN A 51 11.996 5.530 7.821 1.00 0.00 N ATOM 0 H GLN A 51 8.618 9.650 7.107 1.00 0.00 H new ATOM 0 HA GLN A 51 9.200 7.240 5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.502 7.828 8.496 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.801 6.212 7.887 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.813 8.476 7.731 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.756 7.305 9.033 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.901 5.470 8.835 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.560 4.843 7.320 1.00 0.00 H new ATOM 888 N ARG A 52 6.185 8.141 6.026 1.00 0.00 N ATOM 889 CA ARG A 52 4.794 7.725 5.814 1.00 0.00 C ATOM 890 C ARG A 52 4.528 7.482 4.339 1.00 0.00 C ATOM 891 O ARG A 52 4.073 6.405 3.949 1.00 0.00 O ATOM 892 CB ARG A 52 3.790 8.735 6.374 1.00 0.00 C ATOM 893 CG ARG A 52 2.346 8.312 6.168 1.00 0.00 C ATOM 894 CD ARG A 52 1.400 8.999 7.137 1.00 0.00 C ATOM 895 NE ARG A 52 1.039 10.348 6.710 1.00 0.00 N ATOM 896 CZ ARG A 52 0.118 11.091 7.312 1.00 0.00 C ATOM 897 NH1 ARG A 52 -0.507 10.639 8.386 1.00 0.00 N ATOM 898 NH2 ARG A 52 -0.172 12.285 6.833 1.00 0.00 N ATOM 0 H ARG A 52 6.337 9.148 6.074 1.00 0.00 H new ATOM 0 HA ARG A 52 4.655 6.793 6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.975 8.870 7.440 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.951 9.702 5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.045 8.541 5.146 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.265 7.232 6.289 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.495 8.401 7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.866 9.046 8.121 1.00 0.00 H new ATOM 0 HE ARG A 52 1.522 10.742 5.903 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.282 9.715 8.756 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.214 11.214 8.845 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.310 12.633 6.004 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.879 12.860 7.291 1.00 0.00 H new ATOM 912 N ALA A 53 4.830 8.462 3.503 1.00 0.00 N ATOM 913 CA ALA A 53 4.625 8.293 2.082 1.00 0.00 C ATOM 914 C ALA A 53 5.642 7.320 1.528 1.00 0.00 C ATOM 915 O ALA A 53 5.291 6.457 0.728 1.00 0.00 O ATOM 916 CB ALA A 53 4.683 9.611 1.355 1.00 0.00 C ATOM 0 H ALA A 53 5.211 9.366 3.781 1.00 0.00 H new ATOM 0 HA ALA A 53 3.627 7.885 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.525 9.446 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.907 10.273 1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.660 10.069 1.510 1.00 0.00 H new ATOM 922 N ALA A 54 6.894 7.427 1.975 1.00 0.00 N ATOM 923 CA ALA A 54 7.917 6.504 1.517 1.00 0.00 C ATOM 924 C ALA A 54 7.532 5.077 1.886 1.00 0.00 C ATOM 925 O ALA A 54 7.890 4.148 1.181 1.00 0.00 O ATOM 926 CB ALA A 54 9.279 6.847 2.103 1.00 0.00 C ATOM 0 H ALA A 54 7.214 8.131 2.640 1.00 0.00 H new ATOM 0 HA ALA A 54 7.989 6.591 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.021 6.136 1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.562 7.855 1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.230 6.796 3.191 1.00 0.00 H new ATOM 932 N MET A 55 6.776 4.902 2.978 1.00 0.00 N ATOM 933 CA MET A 55 6.346 3.575 3.386 1.00 0.00 C ATOM 934 C MET A 55 5.334 3.043 2.387 1.00 0.00 C ATOM 935 O MET A 55 5.361 1.871 2.021 1.00 0.00 O ATOM 936 CB MET A 55 5.755 3.634 4.791 1.00 0.00 C ATOM 937 CG MET A 55 5.268 2.292 5.306 1.00 0.00 C ATOM 938 SD MET A 55 6.584 1.064 5.407 1.00 0.00 S ATOM 939 CE MET A 55 7.675 1.830 6.610 1.00 0.00 C ATOM 0 H MET A 55 6.457 5.659 3.583 1.00 0.00 H new ATOM 0 HA MET A 55 7.200 2.898 3.406 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.508 4.024 5.476 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.923 4.339 4.796 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.825 2.426 6.293 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.480 1.921 4.651 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.352 1.079 7.017 1.00 0.00 H new ATOM 0 HE2 MET A 55 8.254 2.617 6.127 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.082 2.260 7.417 1.00 0.00 H new ATOM 949 N LEU A 56 4.468 3.936 1.920 1.00 0.00 N ATOM 950 CA LEU A 56 3.459 3.594 0.929 1.00 0.00 C ATOM 951 C LEU A 56 4.143 3.165 -0.373 1.00 0.00 C ATOM 952 O LEU A 56 3.912 2.067 -0.883 1.00 0.00 O ATOM 953 CB LEU A 56 2.553 4.803 0.668 1.00 0.00 C ATOM 954 CG LEU A 56 1.268 4.505 -0.097 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.307 3.746 0.788 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.632 5.792 -0.595 1.00 0.00 C ATOM 0 H LEU A 56 4.447 4.912 2.217 1.00 0.00 H new ATOM 0 HA LEU A 56 2.851 2.771 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.290 5.252 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.122 5.549 0.112 1.00 0.00 H new ATOM 0 HG LEU A 56 1.510 3.889 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.609 3.537 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.765 2.808 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.071 4.346 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.284 5.559 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.397 6.434 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.326 6.308 -1.258 1.00 0.00 H new ATOM 968 N ILE A 57 5.008 4.046 -0.883 1.00 0.00 N ATOM 969 CA ILE A 57 5.770 3.790 -2.119 1.00 0.00 C ATOM 970 C ILE A 57 6.669 2.554 -1.934 1.00 0.00 C ATOM 971 O ILE A 57 6.989 1.849 -2.894 1.00 0.00 O ATOM 972 CB ILE A 57 6.645 5.030 -2.491 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.948 6.318 -2.063 1.00 0.00 C ATOM 974 CG2 ILE A 57 6.926 5.106 -3.995 1.00 0.00 C ATOM 975 CD1 ILE A 57 6.855 7.530 -2.050 1.00 0.00 C ATOM 0 H ILE A 57 5.203 4.952 -0.458 1.00 0.00 H new ATOM 0 HA ILE A 57 5.065 3.605 -2.929 1.00 0.00 H new ATOM 0 HB ILE A 57 7.593 4.916 -1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.112 6.509 -2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.529 6.179 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.537 5.983 -4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.457 4.208 -4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.984 5.180 -4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.287 8.406 -1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.677 7.362 -1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.254 7.696 -3.050 1.00 0.00 H new ATOM 987 N LYS A 58 7.050 2.298 -0.682 1.00 0.00 N ATOM 988 CA LYS A 58 7.893 1.159 -0.333 1.00 0.00 C ATOM 989 C LYS A 58 7.088 -0.144 -0.335 1.00 0.00 C ATOM 990 O LYS A 58 7.605 -1.189 -0.731 1.00 0.00 O ATOM 991 CB LYS A 58 8.554 1.385 1.034 1.00 0.00 C ATOM 992 CG LYS A 58 9.457 0.254 1.480 1.00 0.00 C ATOM 993 CD LYS A 58 10.070 0.537 2.848 1.00 0.00 C ATOM 994 CE LYS A 58 11.052 1.704 2.800 1.00 0.00 C ATOM 995 NZ LYS A 58 12.266 1.377 2.017 1.00 0.00 N ATOM 0 H LYS A 58 6.782 2.874 0.116 1.00 0.00 H new ATOM 0 HA LYS A 58 8.674 1.070 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.135 2.306 0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.775 1.530 1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.887 -0.674 1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.251 0.109 0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.277 0.759 3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.583 -0.355 3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.561 2.573 2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.339 1.978 3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.982 2.117 2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.646 0.461 2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.024 1.323 1.007 1.00 0.00 H new ATOM 1009 N MET A 59 5.825 -0.088 0.090 1.00 0.00 N ATOM 1010 CA MET A 59 4.984 -1.288 0.096 1.00 0.00 C ATOM 1011 C MET A 59 4.865 -1.823 -1.312 1.00 0.00 C ATOM 1012 O MET A 59 5.032 -3.015 -1.564 1.00 0.00 O ATOM 1013 CB MET A 59 3.562 -1.005 0.569 1.00 0.00 C ATOM 1014 CG MET A 59 3.427 -0.401 1.945 1.00 0.00 C ATOM 1015 SD MET A 59 1.695 -0.145 2.369 1.00 0.00 S ATOM 1016 CE MET A 59 1.049 0.433 0.792 1.00 0.00 C ATOM 0 H MET A 59 5.367 0.758 0.429 1.00 0.00 H new ATOM 0 HA MET A 59 5.459 -1.995 0.776 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.089 -0.334 -0.148 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.001 -1.940 0.548 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.893 -1.056 2.681 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.959 0.550 1.983 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.149 1.023 0.962 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.799 1.049 0.296 1.00 0.00 H new ATOM 0 HE3 MET A 59 0.808 -0.423 0.162 1.00 0.00 H new ATOM 1026 N ILE A 60 4.547 -0.919 -2.225 1.00 0.00 N ATOM 1027 CA ILE A 60 4.368 -1.275 -3.622 1.00 0.00 C ATOM 1028 C ILE A 60 5.633 -1.870 -4.223 1.00 0.00 C ATOM 1029 O ILE A 60 5.561 -2.910 -4.870 1.00 0.00 O ATOM 1030 CB ILE A 60 3.884 -0.061 -4.466 1.00 0.00 C ATOM 1031 CG1 ILE A 60 2.381 0.173 -4.272 1.00 0.00 C ATOM 1032 CG2 ILE A 60 4.188 -0.259 -5.949 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.000 0.743 -2.923 1.00 0.00 C ATOM 0 H ILE A 60 4.407 0.071 -2.021 1.00 0.00 H new ATOM 0 HA ILE A 60 3.592 -2.040 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 60 4.428 0.816 -4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.029 0.850 -5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.858 -0.773 -4.412 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.837 0.607 -6.511 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.263 -0.371 -6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.681 -1.154 -6.308 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.919 0.875 -2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.317 0.058 -2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.490 1.707 -2.784 1.00 0.00 H new ATOM 1045 N LEU A 61 6.788 -1.236 -4.017 1.00 0.00 N ATOM 1046 CA LEU A 61 8.031 -1.763 -4.581 1.00 0.00 C ATOM 1047 C LEU A 61 8.375 -3.147 -4.016 1.00 0.00 C ATOM 1048 O LEU A 61 9.218 -3.855 -4.568 1.00 0.00 O ATOM 1049 CB LEU A 61 9.195 -0.771 -4.398 1.00 0.00 C ATOM 1050 CG LEU A 61 9.535 -0.359 -2.960 1.00 0.00 C ATOM 1051 CD1 LEU A 61 10.401 -1.408 -2.271 1.00 0.00 C ATOM 1052 CD2 LEU A 61 10.237 0.992 -2.956 1.00 0.00 C ATOM 0 H LEU A 61 6.889 -0.377 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 61 7.871 -1.888 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.087 -1.208 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.964 0.131 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 61 8.602 -0.279 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.624 -1.085 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.867 -2.358 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.332 -1.532 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.474 1.276 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.157 0.926 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.583 1.743 -3.398 1.00 0.00 H new ATOM 1064 N LYS A 62 7.700 -3.545 -2.936 1.00 0.00 N ATOM 1065 CA LYS A 62 7.933 -4.854 -2.345 1.00 0.00 C ATOM 1066 C LYS A 62 6.634 -5.669 -2.308 1.00 0.00 C ATOM 1067 O LYS A 62 6.395 -6.446 -1.382 1.00 0.00 O ATOM 1068 CB LYS A 62 8.518 -4.704 -0.932 1.00 0.00 C ATOM 1069 CG LYS A 62 9.689 -5.645 -0.623 1.00 0.00 C ATOM 1070 CD LYS A 62 9.225 -7.044 -0.215 1.00 0.00 C ATOM 1071 CE LYS A 62 9.044 -7.962 -1.416 1.00 0.00 C ATOM 1072 NZ LYS A 62 8.498 -9.288 -1.022 1.00 0.00 N ATOM 0 H LYS A 62 6.995 -2.982 -2.460 1.00 0.00 H new ATOM 0 HA LYS A 62 8.653 -5.390 -2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.851 -3.675 -0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.726 -4.880 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.331 -5.720 -1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.292 -5.218 0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.953 -7.482 0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.283 -6.969 0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.373 -7.492 -2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.002 -8.098 -1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.389 -9.884 -1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.151 -9.748 -0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.572 -9.161 -0.567 1.00 0.00 H new ATOM 1086 N LYS A 63 5.805 -5.520 -3.334 1.00 0.00 N ATOM 1087 CA LYS A 63 4.570 -6.276 -3.403 1.00 0.00 C ATOM 1088 C LYS A 63 4.457 -6.938 -4.779 1.00 0.00 C ATOM 1089 O LYS A 63 5.306 -7.745 -5.151 1.00 0.00 O ATOM 1090 CB LYS A 63 3.370 -5.378 -3.127 1.00 0.00 C ATOM 1091 CG LYS A 63 2.276 -6.067 -2.324 1.00 0.00 C ATOM 1092 CD LYS A 63 2.706 -6.320 -0.888 1.00 0.00 C ATOM 1093 CE LYS A 63 1.705 -7.195 -0.143 1.00 0.00 C ATOM 1094 NZ LYS A 63 2.155 -7.512 1.240 1.00 0.00 N ATOM 0 H LYS A 63 5.966 -4.889 -4.119 1.00 0.00 H new ATOM 0 HA LYS A 63 4.581 -7.051 -2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.704 -4.492 -2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.955 -5.036 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.377 -5.451 -2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.018 -7.014 -2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.684 -6.800 -0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.814 -5.368 -0.368 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.741 -6.687 -0.102 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.554 -8.122 -0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.739 -8.416 1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.192 -7.585 1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.849 -6.757 1.886 1.00 0.00 H new ATOM 1108 N ASP A 64 3.427 -6.586 -5.536 1.00 0.00 N ATOM 1109 CA ASP A 64 3.218 -7.143 -6.868 1.00 0.00 C ATOM 1110 C ASP A 64 2.337 -6.205 -7.667 1.00 0.00 C ATOM 1111 O ASP A 64 1.890 -5.179 -7.149 1.00 0.00 O ATOM 1112 CB ASP A 64 2.570 -8.531 -6.765 1.00 0.00 C ATOM 1113 CG ASP A 64 2.942 -9.461 -7.906 1.00 0.00 C ATOM 1114 OD1 ASP A 64 2.766 -9.075 -9.080 1.00 0.00 O ATOM 1115 OD2 ASP A 64 3.382 -10.595 -7.632 1.00 0.00 O ATOM 0 H ASP A 64 2.717 -5.912 -5.249 1.00 0.00 H new ATOM 0 HA ASP A 64 4.178 -7.251 -7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.864 -8.991 -5.822 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.486 -8.416 -6.739 1.00 0.00 H new ATOM 1120 N ASN A 65 2.076 -6.550 -8.921 1.00 0.00 N ATOM 1121 CA ASN A 65 1.235 -5.720 -9.766 1.00 0.00 C ATOM 1122 C ASN A 65 -0.187 -5.714 -9.240 1.00 0.00 C ATOM 1123 O ASN A 65 -0.969 -4.849 -9.583 1.00 0.00 O ATOM 1124 CB ASN A 65 1.272 -6.156 -11.237 1.00 0.00 C ATOM 1125 CG ASN A 65 1.142 -7.653 -11.437 1.00 0.00 C ATOM 1126 OD1 ASN A 65 0.161 -8.270 -11.028 1.00 0.00 O ATOM 1127 ND2 ASN A 65 2.129 -8.232 -12.090 1.00 0.00 N ATOM 0 H ASN A 65 2.433 -7.393 -9.371 1.00 0.00 H new ATOM 0 HA ASN A 65 1.634 -4.706 -9.730 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.466 -5.656 -11.774 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.208 -5.820 -11.682 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.099 -9.235 -12.275 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.923 -7.678 -12.410 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.504 -6.657 -8.373 1.00 0.00 N ATOM 1135 CA ASP A 66 -1.825 -6.712 -7.784 1.00 0.00 C ATOM 1136 C ASP A 66 -2.063 -5.447 -6.961 1.00 0.00 C ATOM 1137 O ASP A 66 -3.047 -4.731 -7.168 1.00 0.00 O ATOM 1138 CB ASP A 66 -1.958 -7.971 -6.916 1.00 0.00 C ATOM 1139 CG ASP A 66 -3.324 -8.124 -6.275 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -3.657 -7.346 -5.360 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -4.066 -9.042 -6.678 1.00 0.00 O ATOM 0 H ASP A 66 0.133 -7.391 -8.063 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.580 -6.764 -8.569 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.753 -8.848 -7.529 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.199 -7.945 -6.134 1.00 0.00 H new ATOM 1146 N SER A 67 -1.136 -5.146 -6.052 1.00 0.00 N ATOM 1147 CA SER A 67 -1.270 -3.941 -5.237 1.00 0.00 C ATOM 1148 C SER A 67 -0.864 -2.725 -6.033 1.00 0.00 C ATOM 1149 O SER A 67 -1.336 -1.630 -5.782 1.00 0.00 O ATOM 1150 CB SER A 67 -0.404 -3.984 -3.995 1.00 0.00 C ATOM 1151 OG SER A 67 -0.291 -5.295 -3.495 1.00 0.00 O ATOM 0 H SER A 67 -0.304 -5.705 -5.864 1.00 0.00 H new ATOM 0 HA SER A 67 -2.317 -3.888 -4.939 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.587 -3.594 -4.227 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.830 -3.336 -3.229 1.00 0.00 H new ATOM 0 HG SER A 67 -0.641 -5.328 -2.580 1.00 0.00 H new ATOM 1157 N TYR A 68 0.040 -2.920 -6.976 1.00 0.00 N ATOM 1158 CA TYR A 68 0.522 -1.820 -7.784 1.00 0.00 C ATOM 1159 C TYR A 68 -0.578 -1.306 -8.701 1.00 0.00 C ATOM 1160 O TYR A 68 -0.786 -0.101 -8.796 1.00 0.00 O ATOM 1161 CB TYR A 68 1.764 -2.238 -8.581 1.00 0.00 C ATOM 1162 CG TYR A 68 2.350 -1.136 -9.431 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.360 0.184 -8.996 1.00 0.00 C ATOM 1164 CD2 TYR A 68 2.894 -1.421 -10.670 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.902 1.184 -9.773 1.00 0.00 C ATOM 1166 CE2 TYR A 68 3.435 -0.426 -11.450 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.435 0.869 -11.002 1.00 0.00 C ATOM 1168 OH TYR A 68 3.974 1.854 -11.787 1.00 0.00 O ATOM 0 H TYR A 68 0.452 -3.826 -7.199 1.00 0.00 H new ATOM 0 HA TYR A 68 0.811 -1.004 -7.121 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.526 -2.591 -7.887 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.504 -3.079 -9.224 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.936 0.430 -8.034 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.894 -2.439 -11.030 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.909 2.205 -9.421 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.859 -0.665 -12.414 1.00 0.00 H new ATOM 0 HH TYR A 68 4.828 1.547 -12.157 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.311 -2.211 -9.345 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.407 -1.798 -10.207 1.00 0.00 C ATOM 1180 C VAL A 69 -3.515 -1.215 -9.325 1.00 0.00 C ATOM 1181 O VAL A 69 -4.249 -0.317 -9.737 1.00 0.00 O ATOM 1182 CB VAL A 69 -2.932 -2.946 -11.111 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.054 -2.447 -12.005 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -1.809 -3.495 -11.980 1.00 0.00 C ATOM 0 H VAL A 69 -1.167 -3.219 -9.286 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.043 -1.039 -10.900 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.310 -3.738 -10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.410 -3.264 -12.632 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.874 -2.078 -11.388 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.684 -1.640 -12.637 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.194 -4.299 -12.607 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.415 -2.699 -12.612 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.012 -3.881 -11.344 1.00 0.00 H new ATOM 1194 N SER A 70 -3.571 -1.683 -8.074 1.00 0.00 N ATOM 1195 CA SER A 70 -4.525 -1.152 -7.107 1.00 0.00 C ATOM 1196 C SER A 70 -4.104 0.265 -6.735 1.00 0.00 C ATOM 1197 O SER A 70 -4.904 1.194 -6.810 1.00 0.00 O ATOM 1198 CB SER A 70 -4.602 -2.024 -5.857 1.00 0.00 C ATOM 1199 OG SER A 70 -5.540 -1.494 -4.940 1.00 0.00 O ATOM 0 H SER A 70 -2.970 -2.423 -7.713 1.00 0.00 H new ATOM 0 HA SER A 70 -5.517 -1.145 -7.558 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.887 -3.039 -6.132 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.620 -2.085 -5.388 1.00 0.00 H new ATOM 0 HG SER A 70 -5.997 -2.228 -4.478 1.00 0.00 H new ATOM 1205 N PHE A 71 -2.826 0.428 -6.372 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.285 1.746 -6.043 1.00 0.00 C ATOM 1207 C PHE A 71 -2.498 2.673 -7.246 1.00 0.00 C ATOM 1208 O PHE A 71 -2.847 3.842 -7.100 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.800 1.622 -5.664 1.00 0.00 C ATOM 1210 CG PHE A 71 -0.046 2.928 -5.612 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.497 3.986 -4.834 1.00 0.00 C ATOM 1212 CD2 PHE A 71 1.121 3.091 -6.343 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.202 5.179 -4.794 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.821 4.280 -6.305 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.363 5.325 -5.531 1.00 0.00 C ATOM 0 H PHE A 71 -2.152 -0.335 -6.300 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.800 2.172 -5.182 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.728 1.139 -4.690 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.310 0.965 -6.383 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.402 3.876 -4.255 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.487 2.277 -6.950 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.159 5.996 -4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.727 4.392 -6.882 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.910 6.256 -5.500 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.345 2.102 -8.441 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.577 2.818 -9.694 1.00 0.00 C ATOM 1227 C TYR A 72 -4.020 3.329 -9.737 1.00 0.00 C ATOM 1228 O TYR A 72 -4.280 4.508 -9.982 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.324 1.850 -10.854 1.00 0.00 C ATOM 1230 CG TYR A 72 -2.950 2.249 -12.174 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.446 3.302 -12.920 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -4.052 1.564 -12.670 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -3.032 3.670 -14.119 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.639 1.921 -13.868 1.00 0.00 C ATOM 1235 CZ TYR A 72 -4.125 2.973 -14.590 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.711 3.341 -15.780 1.00 0.00 O ATOM 0 H TYR A 72 -2.057 1.132 -8.567 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.906 3.673 -9.772 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.248 1.751 -10.996 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.701 0.866 -10.574 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.583 3.844 -12.561 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.458 0.736 -12.108 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.635 4.500 -14.684 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.497 1.377 -14.236 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.468 2.748 -15.969 1.00 0.00 H new ATOM 1246 N ASN A 73 -4.944 2.410 -9.477 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.380 2.699 -9.454 1.00 0.00 C ATOM 1248 C ASN A 73 -6.715 3.777 -8.417 1.00 0.00 C ATOM 1249 O ASN A 73 -7.579 4.625 -8.644 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.158 1.412 -9.151 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.598 1.664 -8.741 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.377 2.268 -9.476 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -8.958 1.198 -7.556 1.00 0.00 N ATOM 0 H ASN A 73 -4.720 1.436 -9.274 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.670 3.079 -10.433 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.145 0.772 -10.033 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.651 0.868 -8.355 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.912 1.335 -7.223 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.281 0.702 -6.976 1.00 0.00 H new ATOM 1260 N ALA A 74 -6.023 3.739 -7.281 1.00 0.00 N ATOM 1261 CA ALA A 74 -6.238 4.706 -6.208 1.00 0.00 C ATOM 1262 C ALA A 74 -5.846 6.108 -6.650 1.00 0.00 C ATOM 1263 O ALA A 74 -6.480 7.093 -6.269 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.454 4.298 -4.974 1.00 0.00 C ATOM 0 H ALA A 74 -5.304 3.044 -7.079 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.300 4.717 -5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.621 5.026 -4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.786 3.315 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.391 4.260 -5.214 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.821 6.187 -7.482 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.363 7.454 -8.013 1.00 0.00 C ATOM 1272 C LEU A 75 -5.460 8.046 -8.889 1.00 0.00 C ATOM 1273 O LEU A 75 -5.688 9.252 -8.895 1.00 0.00 O ATOM 1274 CB LEU A 75 -3.076 7.254 -8.827 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.865 6.757 -8.034 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.735 6.366 -8.967 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.391 7.813 -7.063 1.00 0.00 C ATOM 0 H LEU A 75 -4.288 5.379 -7.805 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.143 8.138 -7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.280 6.543 -9.628 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.815 8.201 -9.300 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.173 5.876 -7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.115 6.016 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.071 5.570 -9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.436 7.231 -9.559 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.530 7.438 -6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.107 8.711 -7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.194 8.053 -6.366 1.00 0.00 H new ATOM 1289 N LEU A 76 -6.163 7.176 -9.605 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.259 7.610 -10.465 1.00 0.00 C ATOM 1291 C LEU A 76 -8.456 8.073 -9.646 1.00 0.00 C ATOM 1292 O LEU A 76 -9.367 8.708 -10.178 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.695 6.497 -11.422 1.00 0.00 C ATOM 1294 CG LEU A 76 -6.947 6.431 -12.755 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.524 5.930 -12.563 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.699 5.546 -13.731 1.00 0.00 C ATOM 0 H LEU A 76 -5.995 6.170 -9.608 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.886 8.450 -11.051 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.577 5.540 -10.913 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.758 6.619 -11.630 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.890 7.439 -13.166 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.018 5.894 -13.528 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.987 6.605 -11.897 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.546 4.931 -12.127 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.158 5.506 -14.677 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.785 4.541 -13.319 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.695 5.955 -13.900 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.463 7.764 -8.352 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.568 8.178 -7.503 1.00 0.00 C ATOM 1310 C HIS A 77 -9.365 9.601 -7.025 1.00 0.00 C ATOM 1311 O HIS A 77 -10.310 10.382 -6.989 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.758 7.272 -6.272 1.00 0.00 C ATOM 1313 CG HIS A 77 -11.170 7.288 -5.766 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -11.827 8.445 -5.385 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -12.061 6.281 -5.595 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -13.053 8.144 -5.002 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -13.218 6.842 -5.121 1.00 0.00 N ATOM 0 H HIS A 77 -7.729 7.238 -7.878 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.463 8.101 -8.120 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.478 6.250 -6.529 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.086 7.597 -5.478 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -11.426 9.383 -5.398 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -11.891 5.233 -5.795 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.795 8.845 -4.651 1.00 0.00 H new ATOM 1326 N GLU A 78 -8.145 9.933 -6.625 1.00 0.00 N ATOM 1327 CA GLU A 78 -7.886 11.271 -6.103 1.00 0.00 C ATOM 1328 C GLU A 78 -7.187 12.201 -7.103 1.00 0.00 C ATOM 1329 O GLU A 78 -6.357 13.026 -6.726 1.00 0.00 O ATOM 1330 CB GLU A 78 -7.114 11.172 -4.785 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.804 10.281 -3.762 1.00 0.00 C ATOM 1332 CD GLU A 78 -9.238 10.702 -3.475 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -9.606 11.846 -3.799 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -9.999 9.891 -2.916 1.00 0.00 O ATOM 0 H GLU A 78 -7.336 9.313 -6.650 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.855 11.736 -5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.115 10.784 -4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.991 12.171 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.799 9.252 -4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.234 10.296 -2.833 1.00 0.00 H new ATOM 1341 N GLY A 79 -7.590 12.100 -8.365 1.00 0.00 N ATOM 1342 CA GLY A 79 -7.073 12.972 -9.419 1.00 0.00 C ATOM 1343 C GLY A 79 -5.572 12.902 -9.673 1.00 0.00 C ATOM 1344 O GLY A 79 -4.966 13.904 -10.057 1.00 0.00 O ATOM 0 H GLY A 79 -8.278 11.419 -8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.589 12.730 -10.348 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.331 14.001 -9.170 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.964 11.741 -9.500 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.531 11.592 -9.761 1.00 0.00 C ATOM 1350 C TYR A 80 -3.342 10.636 -10.928 1.00 0.00 C ATOM 1351 O TYR A 80 -2.473 9.759 -10.904 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.761 11.061 -8.538 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.660 12.015 -7.361 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -3.417 13.172 -7.300 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -1.801 11.744 -6.304 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -3.327 14.033 -6.222 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -1.704 12.601 -5.220 1.00 0.00 C ATOM 1358 CZ TYR A 80 -2.469 13.746 -5.186 1.00 0.00 C ATOM 1359 OH TYR A 80 -2.381 14.603 -4.109 1.00 0.00 O ATOM 0 H TYR A 80 -5.430 10.891 -9.183 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.130 12.579 -9.993 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.242 10.144 -8.199 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.752 10.794 -8.854 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.091 13.407 -8.110 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -1.198 10.849 -6.328 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.929 14.929 -6.193 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.032 12.373 -4.406 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.151 14.094 -3.304 1.00 0.00 H new ATOM 1369 N LYS A 81 -4.187 10.797 -11.941 1.00 0.00 N ATOM 1370 CA LYS A 81 -4.151 9.942 -13.120 1.00 0.00 C ATOM 1371 C LYS A 81 -2.937 10.228 -13.996 1.00 0.00 C ATOM 1372 O LYS A 81 -2.614 9.437 -14.872 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.447 10.064 -13.933 1.00 0.00 C ATOM 1374 CG LYS A 81 -5.788 11.474 -14.404 1.00 0.00 C ATOM 1375 CD LYS A 81 -7.074 11.477 -15.219 1.00 0.00 C ATOM 1376 CE LYS A 81 -7.441 12.874 -15.704 1.00 0.00 C ATOM 1377 NZ LYS A 81 -8.667 12.864 -16.544 1.00 0.00 N ATOM 0 H LYS A 81 -4.909 11.517 -11.968 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.064 8.915 -12.765 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.372 9.415 -14.805 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.273 9.691 -13.328 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.897 12.133 -13.543 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.970 11.869 -15.006 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.961 10.814 -16.077 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.888 11.078 -14.613 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.594 13.528 -14.845 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.612 13.289 -16.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.883 13.833 -16.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.512 12.260 -17.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.464 12.492 -15.990 1.00 0.00 H new ATOM 1391 N ASP A 82 -2.254 11.343 -13.747 1.00 0.00 N ATOM 1392 CA ASP A 82 -1.059 11.694 -14.516 1.00 0.00 C ATOM 1393 C ASP A 82 0.091 10.782 -14.108 1.00 0.00 C ATOM 1394 O ASP A 82 0.723 10.151 -14.953 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.674 13.167 -14.298 1.00 0.00 C ATOM 1396 CG ASP A 82 0.433 13.641 -15.229 1.00 0.00 C ATOM 1397 OD1 ASP A 82 0.806 12.898 -16.162 1.00 0.00 O ATOM 1398 OD2 ASP A 82 0.931 14.771 -15.034 1.00 0.00 O ATOM 0 H ASP A 82 -2.504 12.017 -13.023 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.273 11.559 -15.576 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.555 13.792 -14.444 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.354 13.303 -13.265 1.00 0.00 H new ATOM 1403 N LEU A 83 0.333 10.686 -12.801 1.00 0.00 N ATOM 1404 CA LEU A 83 1.385 9.816 -12.283 1.00 0.00 C ATOM 1405 C LEU A 83 1.064 8.381 -12.676 1.00 0.00 C ATOM 1406 O LEU A 83 1.909 7.658 -13.188 1.00 0.00 O ATOM 1407 CB LEU A 83 1.473 9.938 -10.752 1.00 0.00 C ATOM 1408 CG LEU A 83 2.870 9.834 -10.119 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.577 8.541 -10.487 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.717 11.026 -10.509 1.00 0.00 C ATOM 0 H LEU A 83 -0.183 11.198 -12.085 1.00 0.00 H new ATOM 0 HA LEU A 83 2.347 10.110 -12.703 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.042 10.897 -10.464 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.845 9.162 -10.314 1.00 0.00 H new ATOM 0 HG LEU A 83 2.732 9.829 -9.038 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.559 8.516 -10.015 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.987 7.692 -10.141 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.693 8.485 -11.569 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.703 10.937 -10.053 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.821 11.059 -11.594 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.238 11.942 -10.162 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.181 7.998 -12.444 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.653 6.659 -12.774 1.00 0.00 C ATOM 1424 C ALA A 84 -0.537 6.374 -14.268 1.00 0.00 C ATOM 1425 O ALA A 84 -0.223 5.252 -14.661 1.00 0.00 O ATOM 1426 CB ALA A 84 -2.087 6.494 -12.311 1.00 0.00 C ATOM 0 H ALA A 84 -0.890 8.600 -12.025 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.021 5.938 -12.256 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.437 5.492 -12.559 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.140 6.640 -11.232 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.717 7.232 -12.808 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.765 7.387 -15.100 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.653 7.222 -16.548 1.00 0.00 C ATOM 1434 C ALA A 85 0.790 6.933 -16.908 1.00 0.00 C ATOM 1435 O ALA A 85 1.072 6.116 -17.781 1.00 0.00 O ATOM 1436 CB ALA A 85 -1.157 8.452 -17.290 1.00 0.00 C ATOM 0 H ALA A 85 -1.027 8.326 -14.800 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.279 6.383 -16.853 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.059 8.295 -18.364 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.205 8.622 -17.042 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.569 9.321 -16.996 1.00 0.00 H new ATOM 1442 N LEU A 86 1.705 7.577 -16.186 1.00 0.00 N ATOM 1443 CA LEU A 86 3.132 7.358 -16.386 1.00 0.00 C ATOM 1444 C LEU A 86 3.489 5.909 -16.062 1.00 0.00 C ATOM 1445 O LEU A 86 4.510 5.388 -16.510 1.00 0.00 O ATOM 1446 CB LEU A 86 3.939 8.270 -15.465 1.00 0.00 C ATOM 1447 CG LEU A 86 3.950 9.746 -15.839 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.511 10.582 -14.700 1.00 0.00 C ATOM 1449 CD2 LEU A 86 4.774 9.953 -17.090 1.00 0.00 C ATOM 0 H LEU A 86 1.481 8.255 -15.457 1.00 0.00 H new ATOM 0 HA LEU A 86 3.369 7.578 -17.427 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.545 8.174 -14.453 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.968 7.913 -15.442 1.00 0.00 H new ATOM 0 HG LEU A 86 2.925 10.065 -16.028 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.511 11.634 -14.986 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.894 10.448 -13.812 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.531 10.265 -14.484 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.778 11.011 -17.352 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.796 9.620 -16.912 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.343 9.378 -17.909 1.00 0.00 H new ATOM 1461 N LEU A 87 2.644 5.286 -15.246 1.00 0.00 N ATOM 1462 CA LEU A 87 2.860 3.915 -14.802 1.00 0.00 C ATOM 1463 C LEU A 87 2.070 2.917 -15.633 1.00 0.00 C ATOM 1464 O LEU A 87 2.349 1.720 -15.595 1.00 0.00 O ATOM 1465 CB LEU A 87 2.448 3.776 -13.348 1.00 0.00 C ATOM 1466 CG LEU A 87 2.771 4.971 -12.453 1.00 0.00 C ATOM 1467 CD1 LEU A 87 2.527 4.623 -10.999 1.00 0.00 C ATOM 1468 CD2 LEU A 87 4.207 5.420 -12.660 1.00 0.00 C ATOM 0 H LEU A 87 1.796 5.715 -14.876 1.00 0.00 H new ATOM 0 HA LEU A 87 3.921 3.697 -14.923 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.374 3.596 -13.309 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.935 2.893 -12.934 1.00 0.00 H new ATOM 0 HG LEU A 87 2.112 5.795 -12.726 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.762 5.485 -10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.481 4.349 -10.861 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.162 3.784 -10.714 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.418 6.272 -12.014 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.883 4.601 -12.414 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.351 5.709 -13.701 1.00 0.00 H new ATOM 1480 N HIS A 88 1.072 3.402 -16.377 1.00 0.00 N ATOM 1481 CA HIS A 88 0.240 2.530 -17.211 1.00 0.00 C ATOM 1482 C HIS A 88 1.091 1.859 -18.269 1.00 0.00 C ATOM 1483 O HIS A 88 0.716 0.834 -18.840 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.896 3.321 -17.855 1.00 0.00 C ATOM 1485 CG HIS A 88 -1.971 2.451 -18.429 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -1.964 1.997 -19.729 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -3.073 1.920 -17.850 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -3.020 1.226 -19.927 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.706 1.166 -18.802 1.00 0.00 N ATOM 0 H HIS A 88 0.821 4.390 -16.419 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.203 1.761 -16.578 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.335 3.986 -17.111 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.488 3.952 -18.645 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.393 2.064 -16.829 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.277 0.730 -20.852 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.570 0.642 -18.663 1.00 0.00 H new ATOM 1498 N ASP A 89 2.256 2.434 -18.485 1.00 0.00 N ATOM 1499 CA ASP A 89 3.221 1.897 -19.438 1.00 0.00 C ATOM 1500 C ASP A 89 3.687 0.525 -18.972 1.00 0.00 C ATOM 1501 O ASP A 89 4.047 -0.339 -19.776 1.00 0.00 O ATOM 1502 CB ASP A 89 4.432 2.824 -19.583 1.00 0.00 C ATOM 1503 CG ASP A 89 4.129 4.093 -20.350 1.00 0.00 C ATOM 1504 OD1 ASP A 89 2.979 4.272 -20.797 1.00 0.00 O ATOM 1505 OD2 ASP A 89 5.046 4.922 -20.519 1.00 0.00 O ATOM 0 H ASP A 89 2.565 3.282 -18.011 1.00 0.00 H new ATOM 0 HA ASP A 89 2.732 1.816 -20.409 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.800 3.087 -18.591 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.234 2.286 -20.088 1.00 0.00 H new ATOM 1510 N GLY A 90 3.673 0.334 -17.659 1.00 0.00 N ATOM 1511 CA GLY A 90 4.086 -0.925 -17.083 1.00 0.00 C ATOM 1512 C GLY A 90 2.910 -1.785 -16.657 1.00 0.00 C ATOM 1513 O GLY A 90 3.053 -2.995 -16.487 1.00 0.00 O ATOM 0 H GLY A 90 3.380 1.037 -16.980 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.688 -1.472 -17.808 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.723 -0.734 -16.220 1.00 0.00 H new ATOM 1517 N ILE A 91 1.748 -1.162 -16.472 1.00 0.00 N ATOM 1518 CA ILE A 91 0.552 -1.880 -16.053 1.00 0.00 C ATOM 1519 C ILE A 91 0.018 -2.741 -17.197 1.00 0.00 C ATOM 1520 O ILE A 91 -0.321 -2.228 -18.264 1.00 0.00 O ATOM 1521 CB ILE A 91 -0.546 -0.904 -15.573 1.00 0.00 C ATOM 1522 CG1 ILE A 91 -0.015 -0.016 -14.437 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -1.788 -1.662 -15.120 1.00 0.00 C ATOM 1524 CD1 ILE A 91 0.590 -0.787 -13.280 1.00 0.00 C ATOM 0 H ILE A 91 1.612 -0.160 -16.607 1.00 0.00 H new ATOM 0 HA ILE A 91 0.827 -2.525 -15.218 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.825 -0.267 -16.412 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.737 0.661 -14.841 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.831 0.601 -14.061 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.546 -0.953 -14.787 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.180 -2.248 -15.951 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.528 -2.328 -14.297 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.941 -0.088 -12.521 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.164 -1.445 -12.847 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.429 -1.384 -13.639 1.00 0.00 H new ATOM 1536 N PRO A 92 -0.050 -4.071 -16.986 1.00 0.00 N ATOM 1537 CA PRO A 92 -0.524 -5.027 -17.998 1.00 0.00 C ATOM 1538 C PRO A 92 -2.035 -4.961 -18.220 1.00 0.00 C ATOM 1539 O PRO A 92 -2.561 -5.589 -19.142 1.00 0.00 O ATOM 1540 CB PRO A 92 -0.136 -6.397 -17.421 1.00 0.00 C ATOM 1541 CG PRO A 92 0.752 -6.113 -16.259 1.00 0.00 C ATOM 1542 CD PRO A 92 0.355 -4.760 -15.756 1.00 0.00 C ATOM 0 HA PRO A 92 -0.085 -4.816 -18.973 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.020 -6.955 -17.110 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.378 -7.004 -18.167 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.632 -6.868 -15.483 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.800 -6.126 -16.557 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.461 -4.818 -15.036 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.182 -4.252 -15.260 1.00 0.00 H new