USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 850 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 29 TYR OH : rot 134:sc= -0.793! USER MOD Set 1.2: A 97 THR OG1 : rot 147:sc= 1.63 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -141:sc= 0.681 (180deg=-0.0528) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -6.37! C(o=-6.4!,f=-12!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 40 LYS NZ :NH3+ -157:sc= 0.342 (180deg=0.144) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -64:sc= 0.681 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -150:sc= -0.362 USER MOD Single : A 58 GLN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 1.03 (180deg=0.942) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -74:sc= 0.973 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0226 USER MOD Single : A 74 ASN : amide:sc= -0.0452 X(o=-0.045,f=-0.27) USER MOD Single : A 76 LYS NZ :NH3+ 160:sc= -0.244 (180deg=-0.778) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.698 K(o=-0.7,f=-2.5!) USER MOD Single : A 81 THR OG1 : rot 75:sc= 0.98 USER MOD Single : A 83 CYS SG : rot 74:sc= 0.00446 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.233 USER MOD Single : A 89 HIS : no HD1:sc= 0.791 K(o=0.79,f=-3.2!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 107 HIS : no HD1:sc= 0.431 K(o=0.43,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 5.695 8.259 -3.220 1.00 1.34 N ATOM 103 CA ARG A 9 6.738 8.818 -4.071 1.00 71.04 C ATOM 104 C ARG A 9 7.246 7.777 -5.064 1.00 24.32 C ATOM 105 O ARG A 9 6.914 6.596 -4.965 1.00 44.24 O ATOM 106 CB ARG A 9 7.899 9.334 -3.218 1.00 13.34 C ATOM 107 CG ARG A 9 7.459 10.207 -2.054 1.00 31.04 C ATOM 108 CD ARG A 9 8.141 11.566 -2.088 1.00 53.02 C ATOM 109 NE ARG A 9 8.007 12.276 -0.819 1.00 52.21 N ATOM 110 CZ ARG A 9 8.633 13.416 -0.545 1.00 31.10 C ATOM 111 NH1 ARG A 9 9.432 13.970 -1.447 1.00 52.15 N ATOM 112 NH2 ARG A 9 8.460 14.003 0.632 1.00 20.24 N ATOM 0 HA ARG A 9 6.309 9.649 -4.630 1.00 71.04 H new ATOM 0 HB2 ARG A 9 8.461 8.484 -2.831 1.00 13.34 H new ATOM 0 HB3 ARG A 9 8.579 9.904 -3.851 1.00 13.34 H new ATOM 0 HG2 ARG A 9 6.378 10.340 -2.086 1.00 31.04 H new ATOM 0 HG3 ARG A 9 7.690 9.706 -1.114 1.00 31.04 H new ATOM 0 HD2 ARG A 9 9.198 11.436 -2.321 1.00 53.02 H new ATOM 0 HD3 ARG A 9 7.710 12.168 -2.888 1.00 53.02 H new ATOM 0 HE ARG A 9 7.400 11.875 -0.104 1.00 52.21 H new ATOM 0 HH11 ARG A 9 9.567 13.521 -2.353 1.00 52.15 H new ATOM 0 HH12 ARG A 9 9.911 14.845 -1.235 1.00 52.15 H new ATOM 0 HH21 ARG A 9 7.846 13.579 1.328 1.00 20.24 H new ATOM 0 HH22 ARG A 9 8.941 14.878 0.841 1.00 20.24 H new ATOM 126 N GLY A 10 8.053 8.223 -6.022 1.00 52.43 N ATOM 127 CA GLY A 10 8.593 7.317 -7.019 1.00 45.13 C ATOM 128 C GLY A 10 9.569 6.321 -6.428 1.00 74.33 C ATOM 129 O GLY A 10 9.421 5.112 -6.609 1.00 42.01 O ATOM 0 H GLY A 10 8.342 9.196 -6.125 1.00 52.43 H new ATOM 0 HA2 GLY A 10 7.775 6.779 -7.498 1.00 45.13 H new ATOM 0 HA3 GLY A 10 9.093 7.894 -7.797 1.00 45.13 H new ATOM 133 N LYS A 11 10.574 6.827 -5.721 1.00 70.04 N ATOM 134 CA LYS A 11 11.581 5.973 -5.101 1.00 65.24 C ATOM 135 C LYS A 11 10.931 4.952 -4.173 1.00 35.53 C ATOM 136 O LYS A 11 11.206 3.754 -4.260 1.00 22.05 O ATOM 137 CB LYS A 11 12.587 6.821 -4.320 1.00 72.10 C ATOM 138 CG LYS A 11 13.968 6.859 -4.950 1.00 40.34 C ATOM 139 CD LYS A 11 14.118 8.043 -5.890 1.00 14.35 C ATOM 140 CE LYS A 11 13.672 7.693 -7.302 1.00 52.33 C ATOM 141 NZ LYS A 11 13.776 8.860 -8.222 1.00 62.22 N ATOM 0 H LYS A 11 10.713 7.825 -5.563 1.00 70.04 H new ATOM 0 HA LYS A 11 12.105 5.437 -5.892 1.00 65.24 H new ATOM 0 HB2 LYS A 11 12.206 7.839 -4.239 1.00 72.10 H new ATOM 0 HB3 LYS A 11 12.670 6.430 -3.306 1.00 72.10 H new ATOM 0 HG2 LYS A 11 14.725 6.916 -4.168 1.00 40.34 H new ATOM 0 HG3 LYS A 11 14.145 5.933 -5.498 1.00 40.34 H new ATOM 0 HD2 LYS A 11 13.529 8.881 -5.518 1.00 14.35 H new ATOM 0 HD3 LYS A 11 15.159 8.367 -5.906 1.00 14.35 H new ATOM 0 HE2 LYS A 11 14.283 6.874 -7.683 1.00 52.33 H new ATOM 0 HE3 LYS A 11 12.641 7.339 -7.280 1.00 52.33 H new ATOM 0 HZ1 LYS A 11 13.463 8.581 -9.174 1.00 62.22 H new ATOM 0 HZ2 LYS A 11 13.174 9.632 -7.872 1.00 62.22 H new ATOM 0 HZ3 LYS A 11 14.764 9.183 -8.263 1.00 62.22 H new ATOM 155 N LYS A 12 10.067 5.431 -3.285 1.00 63.33 N ATOM 156 CA LYS A 12 9.375 4.560 -2.342 1.00 52.01 C ATOM 157 C LYS A 12 8.480 3.567 -3.075 1.00 21.41 C ATOM 158 O LYS A 12 8.350 2.413 -2.665 1.00 15.43 O ATOM 159 CB LYS A 12 8.540 5.392 -1.365 1.00 74.10 C ATOM 160 CG LYS A 12 9.262 5.712 -0.067 1.00 20.34 C ATOM 161 CD LYS A 12 9.491 7.206 0.090 1.00 31.23 C ATOM 162 CE LYS A 12 9.410 7.632 1.548 1.00 35.44 C ATOM 163 NZ LYS A 12 10.681 7.361 2.276 1.00 31.22 N ATOM 0 H LYS A 12 9.829 6.419 -3.198 1.00 63.33 H new ATOM 0 HA LYS A 12 10.126 4.001 -1.783 1.00 52.01 H new ATOM 0 HB2 LYS A 12 8.251 6.325 -1.850 1.00 74.10 H new ATOM 0 HB3 LYS A 12 7.620 4.854 -1.136 1.00 74.10 H new ATOM 0 HG2 LYS A 12 8.678 5.342 0.776 1.00 20.34 H new ATOM 0 HG3 LYS A 12 10.220 5.192 -0.044 1.00 20.34 H new ATOM 0 HD2 LYS A 12 10.469 7.470 -0.313 1.00 31.23 H new ATOM 0 HD3 LYS A 12 8.748 7.752 -0.492 1.00 31.23 H new ATOM 0 HE2 LYS A 12 9.179 8.696 1.603 1.00 35.44 H new ATOM 0 HE3 LYS A 12 8.592 7.103 2.036 1.00 35.44 H new ATOM 0 HZ1 LYS A 12 10.586 7.665 3.266 1.00 31.22 H new ATOM 0 HZ2 LYS A 12 10.888 6.342 2.245 1.00 31.22 H new ATOM 0 HZ3 LYS A 12 11.458 7.886 1.826 1.00 31.22 H new ATOM 177 N ALA A 13 7.863 4.023 -4.161 1.00 75.33 N ATOM 178 CA ALA A 13 6.983 3.172 -4.953 1.00 52.35 C ATOM 179 C ALA A 13 7.706 1.913 -5.416 1.00 62.34 C ATOM 180 O ALA A 13 7.098 0.850 -5.549 1.00 33.11 O ATOM 181 CB ALA A 13 6.441 3.942 -6.148 1.00 13.21 C ATOM 0 H ALA A 13 7.956 4.976 -4.512 1.00 75.33 H new ATOM 0 HA ALA A 13 6.148 2.867 -4.322 1.00 52.35 H new ATOM 0 HB1 ALA A 13 5.785 3.295 -6.731 1.00 13.21 H new ATOM 0 HB2 ALA A 13 5.879 4.808 -5.798 1.00 13.21 H new ATOM 0 HB3 ALA A 13 7.270 4.276 -6.772 1.00 13.21 H new ATOM 187 N ASP A 14 9.006 2.038 -5.660 1.00 43.44 N ATOM 188 CA ASP A 14 9.813 0.908 -6.107 1.00 2.33 C ATOM 189 C ASP A 14 9.796 -0.214 -5.075 1.00 31.00 C ATOM 190 O ASP A 14 9.318 -1.314 -5.348 1.00 23.22 O ATOM 191 CB ASP A 14 11.251 1.355 -6.371 1.00 52.22 C ATOM 192 CG ASP A 14 12.097 0.253 -6.978 1.00 14.32 C ATOM 193 OD1 ASP A 14 11.626 -0.399 -7.934 1.00 2.43 O ATOM 194 OD2 ASP A 14 13.231 0.043 -6.498 1.00 24.03 O ATOM 0 H ASP A 14 9.524 2.911 -5.556 1.00 43.44 H new ATOM 0 HA ASP A 14 9.383 0.529 -7.034 1.00 2.33 H new ATOM 0 HB2 ASP A 14 11.244 2.215 -7.041 1.00 52.22 H new ATOM 0 HB3 ASP A 14 11.704 1.684 -5.436 1.00 52.22 H new ATOM 199 N GLU A 15 10.323 0.072 -3.888 1.00 52.14 N ATOM 200 CA GLU A 15 10.370 -0.915 -2.816 1.00 13.14 C ATOM 201 C GLU A 15 8.990 -1.521 -2.573 1.00 13.10 C ATOM 202 O GLU A 15 8.870 -2.681 -2.178 1.00 41.55 O ATOM 203 CB GLU A 15 10.893 -0.276 -1.528 1.00 74.44 C ATOM 204 CG GLU A 15 12.393 -0.431 -1.338 1.00 60.23 C ATOM 205 CD GLU A 15 13.194 0.462 -2.265 1.00 44.40 C ATOM 206 OE1 GLU A 15 13.072 0.299 -3.497 1.00 23.31 O ATOM 207 OE2 GLU A 15 13.942 1.324 -1.759 1.00 0.41 O ATOM 0 H GLU A 15 10.723 0.978 -3.645 1.00 52.14 H new ATOM 0 HA GLU A 15 11.049 -1.712 -3.120 1.00 13.14 H new ATOM 0 HB2 GLU A 15 10.643 0.785 -1.531 1.00 74.44 H new ATOM 0 HB3 GLU A 15 10.379 -0.722 -0.676 1.00 74.44 H new ATOM 0 HG2 GLU A 15 12.650 -0.199 -0.304 1.00 60.23 H new ATOM 0 HG3 GLU A 15 12.672 -1.471 -1.511 1.00 60.23 H new ATOM 214 N LEU A 16 7.953 -0.726 -2.810 1.00 24.43 N ATOM 215 CA LEU A 16 6.581 -1.183 -2.617 1.00 61.21 C ATOM 216 C LEU A 16 6.182 -2.183 -3.698 1.00 44.34 C ATOM 217 O LEU A 16 5.658 -3.256 -3.399 1.00 3.55 O ATOM 218 CB LEU A 16 5.620 0.008 -2.628 1.00 23.21 C ATOM 219 CG LEU A 16 4.144 -0.319 -2.397 1.00 15.41 C ATOM 220 CD1 LEU A 16 3.480 -0.740 -3.700 1.00 40.44 C ATOM 221 CD2 LEU A 16 3.997 -1.407 -1.345 1.00 42.50 C ATOM 0 H LEU A 16 8.035 0.237 -3.136 1.00 24.43 H new ATOM 0 HA LEU A 16 6.523 -1.681 -1.649 1.00 61.21 H new ATOM 0 HB2 LEU A 16 5.939 0.714 -1.862 1.00 23.21 H new ATOM 0 HB3 LEU A 16 5.713 0.516 -3.588 1.00 23.21 H new ATOM 0 HG LEU A 16 3.645 0.579 -2.033 1.00 15.41 H new ATOM 0 HD11 LEU A 16 2.430 -0.969 -3.516 1.00 40.44 H new ATOM 0 HD12 LEU A 16 3.553 0.071 -4.424 1.00 40.44 H new ATOM 0 HD13 LEU A 16 3.980 -1.624 -4.094 1.00 40.44 H new ATOM 0 HD21 LEU A 16 2.940 -1.627 -1.194 1.00 42.50 H new ATOM 0 HD22 LEU A 16 4.511 -2.308 -1.680 1.00 42.50 H new ATOM 0 HD23 LEU A 16 4.435 -1.067 -0.406 1.00 42.50 H new ATOM 233 N GLU A 17 6.435 -1.824 -4.952 1.00 12.52 N ATOM 234 CA GLU A 17 6.104 -2.691 -6.076 1.00 1.15 C ATOM 235 C GLU A 17 7.055 -3.882 -6.143 1.00 2.01 C ATOM 236 O GLU A 17 6.842 -4.817 -6.915 1.00 33.13 O ATOM 237 CB GLU A 17 6.158 -1.906 -7.389 1.00 70.44 C ATOM 238 CG GLU A 17 5.447 -2.596 -8.540 1.00 2.22 C ATOM 239 CD GLU A 17 5.809 -2.003 -9.888 1.00 12.12 C ATOM 240 OE1 GLU A 17 5.803 -0.760 -10.011 1.00 64.14 O ATOM 241 OE2 GLU A 17 6.098 -2.782 -10.821 1.00 52.53 O ATOM 0 H GLU A 17 6.868 -0.939 -5.215 1.00 12.52 H new ATOM 0 HA GLU A 17 5.091 -3.065 -5.927 1.00 1.15 H new ATOM 0 HB2 GLU A 17 5.712 -0.924 -7.234 1.00 70.44 H new ATOM 0 HB3 GLU A 17 7.200 -1.743 -7.662 1.00 70.44 H new ATOM 0 HG2 GLU A 17 5.699 -3.657 -8.534 1.00 2.22 H new ATOM 0 HG3 GLU A 17 4.369 -2.523 -8.393 1.00 2.22 H new ATOM 248 N ARG A 18 8.105 -3.840 -5.330 1.00 52.14 N ATOM 249 CA ARG A 18 9.090 -4.914 -5.297 1.00 22.30 C ATOM 250 C ARG A 18 8.651 -6.027 -4.350 1.00 11.11 C ATOM 251 O ARG A 18 8.847 -7.209 -4.633 1.00 43.10 O ATOM 252 CB ARG A 18 10.454 -4.372 -4.866 1.00 43.42 C ATOM 253 CG ARG A 18 11.361 -4.010 -6.030 1.00 15.30 C ATOM 254 CD ARG A 18 12.520 -3.134 -5.582 1.00 52.42 C ATOM 255 NE ARG A 18 13.572 -3.909 -4.929 1.00 3.42 N ATOM 256 CZ ARG A 18 14.379 -4.742 -5.575 1.00 12.03 C ATOM 257 NH1 ARG A 18 14.256 -4.908 -6.885 1.00 13.21 N ATOM 258 NH2 ARG A 18 15.312 -5.412 -4.911 1.00 35.41 N ATOM 0 H ARG A 18 8.296 -3.073 -4.685 1.00 52.14 H new ATOM 0 HA ARG A 18 9.172 -5.327 -6.302 1.00 22.30 H new ATOM 0 HB2 ARG A 18 10.305 -3.489 -4.245 1.00 43.42 H new ATOM 0 HB3 ARG A 18 10.952 -5.117 -4.246 1.00 43.42 H new ATOM 0 HG2 ARG A 18 11.748 -4.920 -6.488 1.00 15.30 H new ATOM 0 HG3 ARG A 18 10.784 -3.489 -6.794 1.00 15.30 H new ATOM 0 HD2 ARG A 18 12.936 -2.614 -6.445 1.00 52.42 H new ATOM 0 HD3 ARG A 18 12.153 -2.371 -4.896 1.00 52.42 H new ATOM 0 HE ARG A 18 13.693 -3.804 -3.922 1.00 3.42 H new ATOM 0 HH11 ARG A 18 13.540 -4.395 -7.399 1.00 13.21 H new ATOM 0 HH12 ARG A 18 14.878 -5.549 -7.378 1.00 13.21 H new ATOM 0 HH21 ARG A 18 15.410 -5.287 -3.903 1.00 35.41 H new ATOM 0 HH22 ARG A 18 15.932 -6.052 -5.408 1.00 35.41 H new ATOM 272 N ILE A 19 8.057 -5.640 -3.226 1.00 54.34 N ATOM 273 CA ILE A 19 7.590 -6.604 -2.237 1.00 31.33 C ATOM 274 C ILE A 19 6.716 -7.673 -2.883 1.00 2.44 C ATOM 275 O ILE A 19 5.729 -7.362 -3.551 1.00 12.30 O ATOM 276 CB ILE A 19 6.795 -5.917 -1.112 1.00 3.21 C ATOM 277 CG1 ILE A 19 7.675 -4.898 -0.385 1.00 65.43 C ATOM 278 CG2 ILE A 19 6.255 -6.952 -0.137 1.00 51.34 C ATOM 279 CD1 ILE A 19 6.943 -3.630 -0.005 1.00 71.04 C ATOM 0 H ILE A 19 7.888 -4.665 -2.977 1.00 54.34 H new ATOM 0 HA ILE A 19 8.477 -7.072 -1.809 1.00 31.33 H new ATOM 0 HB ILE A 19 5.950 -5.389 -1.554 1.00 3.21 H new ATOM 0 HG12 ILE A 19 8.081 -5.358 0.516 1.00 65.43 H new ATOM 0 HG13 ILE A 19 8.522 -4.642 -1.021 1.00 65.43 H new ATOM 0 HG21 ILE A 19 5.695 -6.451 0.653 1.00 51.34 H new ATOM 0 HG22 ILE A 19 5.598 -7.642 -0.666 1.00 51.34 H new ATOM 0 HG23 ILE A 19 7.085 -7.506 0.302 1.00 51.34 H new ATOM 0 HD11 ILE A 19 7.628 -2.954 0.506 1.00 71.04 H new ATOM 0 HD12 ILE A 19 6.561 -3.147 -0.904 1.00 71.04 H new ATOM 0 HD13 ILE A 19 6.112 -3.874 0.657 1.00 71.04 H new ATOM 291 N ARG A 20 7.084 -8.934 -2.679 1.00 4.12 N ATOM 292 CA ARG A 20 6.332 -10.049 -3.242 1.00 62.00 C ATOM 293 C ARG A 20 5.139 -10.401 -2.357 1.00 2.25 C ATOM 294 O ARG A 20 5.261 -10.486 -1.135 1.00 0.01 O ATOM 295 CB ARG A 20 7.237 -11.271 -3.404 1.00 21.20 C ATOM 296 CG ARG A 20 8.292 -11.108 -4.486 1.00 52.20 C ATOM 297 CD ARG A 20 9.647 -11.621 -4.025 1.00 54.15 C ATOM 298 NE ARG A 20 10.563 -11.830 -5.142 1.00 34.21 N ATOM 299 CZ ARG A 20 11.831 -12.196 -4.994 1.00 34.43 C ATOM 300 NH1 ARG A 20 12.332 -12.393 -3.783 1.00 43.10 N ATOM 301 NH2 ARG A 20 12.602 -12.366 -6.061 1.00 75.42 N ATOM 0 H ARG A 20 7.898 -9.209 -2.129 1.00 4.12 H new ATOM 0 HA ARG A 20 5.961 -9.747 -4.221 1.00 62.00 H new ATOM 0 HB2 ARG A 20 7.731 -11.475 -2.454 1.00 21.20 H new ATOM 0 HB3 ARG A 20 6.622 -12.140 -3.636 1.00 21.20 H new ATOM 0 HG2 ARG A 20 7.983 -11.648 -5.381 1.00 52.20 H new ATOM 0 HG3 ARG A 20 8.374 -10.056 -4.760 1.00 52.20 H new ATOM 0 HD2 ARG A 20 10.085 -10.909 -3.326 1.00 54.15 H new ATOM 0 HD3 ARG A 20 9.515 -12.558 -3.485 1.00 54.15 H new ATOM 0 HE ARG A 20 10.210 -11.687 -6.088 1.00 34.21 H new ATOM 0 HH11 ARG A 20 11.743 -12.264 -2.960 1.00 43.10 H new ATOM 0 HH12 ARG A 20 13.306 -12.674 -3.674 1.00 43.10 H new ATOM 0 HH21 ARG A 20 12.221 -12.216 -6.995 1.00 75.42 H new ATOM 0 HH22 ARG A 20 13.576 -12.647 -5.947 1.00 75.42 H new ATOM 315 N LEU A 21 3.985 -10.604 -2.985 1.00 62.35 N ATOM 316 CA LEU A 21 2.768 -10.947 -2.255 1.00 75.33 C ATOM 317 C LEU A 21 2.969 -12.209 -1.423 1.00 52.21 C ATOM 318 O LEU A 21 2.408 -12.344 -0.336 1.00 42.42 O ATOM 319 CB LEU A 21 1.605 -11.144 -3.229 1.00 33.30 C ATOM 320 CG LEU A 21 0.962 -9.867 -3.773 1.00 32.41 C ATOM 321 CD1 LEU A 21 0.144 -10.172 -5.018 1.00 11.52 C ATOM 322 CD2 LEU A 21 0.093 -9.213 -2.709 1.00 34.34 C ATOM 0 H LEU A 21 3.866 -10.537 -3.996 1.00 62.35 H new ATOM 0 HA LEU A 21 2.534 -10.124 -1.580 1.00 75.33 H new ATOM 0 HB2 LEU A 21 1.960 -11.736 -4.073 1.00 33.30 H new ATOM 0 HB3 LEU A 21 0.834 -11.731 -2.729 1.00 33.30 H new ATOM 0 HG LEU A 21 1.755 -9.170 -4.045 1.00 32.41 H new ATOM 0 HD11 LEU A 21 -0.306 -9.252 -5.392 1.00 11.52 H new ATOM 0 HD12 LEU A 21 0.793 -10.596 -5.785 1.00 11.52 H new ATOM 0 HD13 LEU A 21 -0.641 -10.886 -4.771 1.00 11.52 H new ATOM 0 HD21 LEU A 21 -0.356 -8.306 -3.113 1.00 34.34 H new ATOM 0 HD22 LEU A 21 -0.694 -9.904 -2.406 1.00 34.34 H new ATOM 0 HD23 LEU A 21 0.706 -8.960 -1.844 1.00 34.34 H new ATOM 334 N ARG A 22 3.775 -13.131 -1.940 1.00 1.44 N ATOM 335 CA ARG A 22 4.050 -14.382 -1.244 1.00 34.42 C ATOM 336 C ARG A 22 5.547 -14.680 -1.233 1.00 13.44 C ATOM 337 O ARG A 22 6.317 -14.147 -2.033 1.00 30.34 O ATOM 338 CB ARG A 22 3.296 -15.536 -1.907 1.00 62.22 C ATOM 339 CG ARG A 22 1.903 -15.757 -1.340 1.00 62.23 C ATOM 340 CD ARG A 22 1.142 -16.813 -2.127 1.00 14.20 C ATOM 341 NE ARG A 22 -0.004 -16.248 -2.834 1.00 4.32 N ATOM 342 CZ ARG A 22 -0.686 -16.901 -3.770 1.00 53.34 C ATOM 343 NH1 ARG A 22 -0.337 -18.134 -4.108 1.00 3.23 N ATOM 344 NH2 ARG A 22 -1.717 -16.319 -4.368 1.00 23.10 N ATOM 0 H ARG A 22 4.249 -13.035 -2.838 1.00 1.44 H new ATOM 0 HA ARG A 22 3.709 -14.278 -0.214 1.00 34.42 H new ATOM 0 HB2 ARG A 22 3.217 -15.341 -2.977 1.00 62.22 H new ATOM 0 HB3 ARG A 22 3.876 -16.452 -1.792 1.00 62.22 H new ATOM 0 HG2 ARG A 22 1.978 -16.063 -0.297 1.00 62.23 H new ATOM 0 HG3 ARG A 22 1.349 -14.819 -1.358 1.00 62.23 H new ATOM 0 HD2 ARG A 22 1.814 -17.285 -2.844 1.00 14.20 H new ATOM 0 HD3 ARG A 22 0.800 -17.595 -1.448 1.00 14.20 H new ATOM 0 HE ARG A 22 -0.297 -15.300 -2.597 1.00 4.32 H new ATOM 0 HH11 ARG A 22 0.456 -18.583 -3.650 1.00 3.23 H new ATOM 0 HH12 ARG A 22 -0.861 -18.634 -4.826 1.00 3.23 H new ATOM 0 HH21 ARG A 22 -1.987 -15.370 -4.110 1.00 23.10 H new ATOM 0 HH22 ARG A 22 -2.240 -16.821 -5.086 1.00 23.10 H new ATOM 358 N PRO A 23 5.971 -15.550 -0.305 1.00 14.33 N ATOM 359 CA PRO A 23 7.378 -15.938 -0.168 1.00 55.33 C ATOM 360 C PRO A 23 7.860 -16.795 -1.332 1.00 1.11 C ATOM 361 O PRO A 23 9.024 -16.729 -1.725 1.00 72.03 O ATOM 362 CB PRO A 23 7.398 -16.743 1.134 1.00 41.31 C ATOM 363 CG PRO A 23 6.011 -17.268 1.276 1.00 31.32 C ATOM 364 CD PRO A 23 5.110 -16.222 0.681 1.00 61.43 C ATOM 0 HA PRO A 23 8.040 -15.072 -0.161 1.00 55.33 H new ATOM 0 HB2 PRO A 23 8.125 -17.554 1.087 1.00 41.31 H new ATOM 0 HB3 PRO A 23 7.673 -16.117 1.983 1.00 41.31 H new ATOM 0 HG2 PRO A 23 5.899 -18.220 0.758 1.00 31.32 H new ATOM 0 HG3 PRO A 23 5.766 -17.445 2.323 1.00 31.32 H new ATOM 0 HD2 PRO A 23 4.233 -16.667 0.211 1.00 61.43 H new ATOM 0 HD3 PRO A 23 4.747 -15.526 1.438 1.00 61.43 H new ATOM 372 N GLY A 24 6.956 -17.601 -1.882 1.00 43.44 N ATOM 373 CA GLY A 24 7.308 -18.460 -2.997 1.00 24.43 C ATOM 374 C GLY A 24 6.794 -17.931 -4.321 1.00 14.24 C ATOM 375 O GLY A 24 7.458 -18.060 -5.349 1.00 21.14 O ATOM 0 H GLY A 24 5.986 -17.674 -1.575 1.00 43.44 H new ATOM 0 HA2 GLY A 24 8.392 -18.561 -3.046 1.00 24.43 H new ATOM 0 HA3 GLY A 24 6.903 -19.457 -2.826 1.00 24.43 H new ATOM 379 N GLY A 25 5.606 -17.336 -4.299 1.00 40.24 N ATOM 380 CA GLY A 25 5.022 -16.796 -5.512 1.00 32.12 C ATOM 381 C GLY A 25 5.932 -15.797 -6.198 1.00 2.44 C ATOM 382 O GLY A 25 7.038 -15.527 -5.729 1.00 73.13 O ATOM 0 H GLY A 25 5.037 -17.218 -3.461 1.00 40.24 H new ATOM 0 HA2 GLY A 25 4.800 -17.612 -6.199 1.00 32.12 H new ATOM 0 HA3 GLY A 25 4.074 -16.314 -5.272 1.00 32.12 H new ATOM 386 N LYS A 26 5.467 -15.244 -7.314 1.00 34.42 N ATOM 387 CA LYS A 26 6.246 -14.268 -8.067 1.00 34.42 C ATOM 388 C LYS A 26 5.451 -12.984 -8.279 1.00 11.03 C ATOM 389 O LYS A 26 5.822 -12.139 -9.094 1.00 60.21 O ATOM 390 CB LYS A 26 6.662 -14.851 -9.420 1.00 74.54 C ATOM 391 CG LYS A 26 7.868 -15.773 -9.339 1.00 13.22 C ATOM 392 CD LYS A 26 8.040 -16.580 -10.615 1.00 24.23 C ATOM 393 CE LYS A 26 9.467 -17.081 -10.770 1.00 71.54 C ATOM 394 NZ LYS A 26 9.529 -18.339 -11.565 1.00 12.13 N ATOM 0 H LYS A 26 4.554 -15.456 -7.717 1.00 34.42 H new ATOM 0 HA LYS A 26 7.140 -14.031 -7.490 1.00 34.42 H new ATOM 0 HB2 LYS A 26 5.822 -15.402 -9.843 1.00 74.54 H new ATOM 0 HB3 LYS A 26 6.885 -14.034 -10.106 1.00 74.54 H new ATOM 0 HG2 LYS A 26 8.766 -15.183 -9.157 1.00 13.22 H new ATOM 0 HG3 LYS A 26 7.754 -16.450 -8.492 1.00 13.22 H new ATOM 0 HD2 LYS A 26 7.355 -17.428 -10.606 1.00 24.23 H new ATOM 0 HD3 LYS A 26 7.774 -15.965 -11.474 1.00 24.23 H new ATOM 0 HE2 LYS A 26 10.071 -16.314 -11.256 1.00 71.54 H new ATOM 0 HE3 LYS A 26 9.901 -17.252 -9.785 1.00 71.54 H new ATOM 0 HZ1 LYS A 26 10.518 -18.649 -11.648 1.00 12.13 H new ATOM 0 HZ2 LYS A 26 8.974 -19.078 -11.089 1.00 12.13 H new ATOM 0 HZ3 LYS A 26 9.138 -18.170 -12.514 1.00 12.13 H new ATOM 408 N LYS A 27 4.356 -12.843 -7.540 1.00 62.43 N ATOM 409 CA LYS A 27 3.509 -11.661 -7.644 1.00 71.12 C ATOM 410 C LYS A 27 3.986 -10.564 -6.697 1.00 30.50 C ATOM 411 O LYS A 27 4.596 -10.844 -5.665 1.00 54.41 O ATOM 412 CB LYS A 27 2.055 -12.021 -7.333 1.00 3.03 C ATOM 413 CG LYS A 27 1.495 -13.117 -8.224 1.00 35.40 C ATOM 414 CD LYS A 27 0.915 -14.259 -7.406 1.00 35.11 C ATOM 415 CE LYS A 27 -0.345 -14.820 -8.048 1.00 61.12 C ATOM 416 NZ LYS A 27 -0.036 -15.642 -9.250 1.00 10.11 N ATOM 0 H LYS A 27 4.034 -13.534 -6.862 1.00 62.43 H new ATOM 0 HA LYS A 27 3.574 -11.288 -8.666 1.00 71.12 H new ATOM 0 HB2 LYS A 27 1.983 -12.338 -6.293 1.00 3.03 H new ATOM 0 HB3 LYS A 27 1.438 -11.128 -7.438 1.00 3.03 H new ATOM 0 HG2 LYS A 27 0.722 -12.702 -8.870 1.00 35.40 H new ATOM 0 HG3 LYS A 27 2.283 -13.497 -8.874 1.00 35.40 H new ATOM 0 HD2 LYS A 27 1.658 -15.051 -7.307 1.00 35.11 H new ATOM 0 HD3 LYS A 27 0.687 -13.908 -6.400 1.00 35.11 H new ATOM 0 HE2 LYS A 27 -0.883 -15.428 -7.321 1.00 61.12 H new ATOM 0 HE3 LYS A 27 -1.006 -14.000 -8.329 1.00 61.12 H new ATOM 0 HZ1 LYS A 27 -0.920 -16.006 -9.658 1.00 10.11 H new ATOM 0 HZ2 LYS A 27 0.455 -15.056 -9.955 1.00 10.11 H new ATOM 0 HZ3 LYS A 27 0.574 -16.440 -8.978 1.00 10.11 H new ATOM 430 N LYS A 28 3.702 -9.316 -7.053 1.00 62.51 N ATOM 431 CA LYS A 28 4.099 -8.177 -6.233 1.00 4.14 C ATOM 432 C LYS A 28 2.883 -7.357 -5.817 1.00 62.44 C ATOM 433 O LYS A 28 1.795 -7.516 -6.371 1.00 3.41 O ATOM 434 CB LYS A 28 5.087 -7.293 -6.998 1.00 5.53 C ATOM 435 CG LYS A 28 6.457 -7.922 -7.175 1.00 14.13 C ATOM 436 CD LYS A 28 6.930 -7.833 -8.616 1.00 12.15 C ATOM 437 CE LYS A 28 6.873 -9.188 -9.306 1.00 43.41 C ATOM 438 NZ LYS A 28 5.552 -9.425 -9.953 1.00 75.22 N ATOM 0 H LYS A 28 3.198 -9.067 -7.904 1.00 62.51 H new ATOM 0 HA LYS A 28 4.583 -8.558 -5.334 1.00 4.14 H new ATOM 0 HB2 LYS A 28 4.672 -7.065 -7.980 1.00 5.53 H new ATOM 0 HB3 LYS A 28 5.197 -6.346 -6.470 1.00 5.53 H new ATOM 0 HG2 LYS A 28 7.175 -7.422 -6.524 1.00 14.13 H new ATOM 0 HG3 LYS A 28 6.421 -8.967 -6.867 1.00 14.13 H new ATOM 0 HD2 LYS A 28 6.310 -7.120 -9.160 1.00 12.15 H new ATOM 0 HD3 LYS A 28 7.951 -7.453 -8.642 1.00 12.15 H new ATOM 0 HE2 LYS A 28 7.661 -9.247 -10.057 1.00 43.41 H new ATOM 0 HE3 LYS A 28 7.067 -9.975 -8.578 1.00 43.41 H new ATOM 0 HZ1 LYS A 28 5.275 -10.419 -9.823 1.00 75.22 H new ATOM 0 HZ2 LYS A 28 4.837 -8.806 -9.519 1.00 75.22 H new ATOM 0 HZ3 LYS A 28 5.621 -9.215 -10.969 1.00 75.22 H new ATOM 452 N TYR A 29 3.074 -6.480 -4.837 1.00 2.22 N ATOM 453 CA TYR A 29 1.992 -5.636 -4.345 1.00 0.24 C ATOM 454 C TYR A 29 1.583 -4.607 -5.395 1.00 53.34 C ATOM 455 O TYR A 29 2.415 -4.123 -6.163 1.00 60.32 O ATOM 456 CB TYR A 29 2.415 -4.927 -3.057 1.00 14.03 C ATOM 457 CG TYR A 29 2.064 -5.691 -1.801 1.00 21.33 C ATOM 458 CD1 TYR A 29 0.747 -5.788 -1.369 1.00 62.54 C ATOM 459 CD2 TYR A 29 3.049 -6.317 -1.046 1.00 5.40 C ATOM 460 CE1 TYR A 29 0.422 -6.485 -0.221 1.00 23.32 C ATOM 461 CE2 TYR A 29 2.732 -7.016 0.102 1.00 32.32 C ATOM 462 CZ TYR A 29 1.417 -7.098 0.510 1.00 13.03 C ATOM 463 OH TYR A 29 1.098 -7.794 1.653 1.00 44.44 O ATOM 0 H TYR A 29 3.968 -6.335 -4.368 1.00 2.22 H new ATOM 0 HA TYR A 29 1.134 -6.275 -4.135 1.00 0.24 H new ATOM 0 HB2 TYR A 29 3.492 -4.760 -3.081 1.00 14.03 H new ATOM 0 HB3 TYR A 29 1.941 -3.946 -3.020 1.00 14.03 H new ATOM 0 HD1 TYR A 29 -0.036 -5.311 -1.940 1.00 62.54 H new ATOM 0 HD2 TYR A 29 4.080 -6.256 -1.363 1.00 5.40 H new ATOM 0 HE1 TYR A 29 -0.607 -6.549 0.102 1.00 23.32 H new ATOM 0 HE2 TYR A 29 3.510 -7.496 0.677 1.00 32.32 H new ATOM 0 HH TYR A 29 1.562 -8.657 1.651 1.00 44.44 H new ATOM 473 N ARG A 30 0.297 -4.276 -5.421 1.00 63.32 N ATOM 474 CA ARG A 30 -0.224 -3.306 -6.376 1.00 41.13 C ATOM 475 C ARG A 30 -1.411 -2.547 -5.787 1.00 53.20 C ATOM 476 O ARG A 30 -1.948 -2.925 -4.745 1.00 33.12 O ATOM 477 CB ARG A 30 -0.644 -4.006 -7.669 1.00 11.22 C ATOM 478 CG ARG A 30 -0.024 -3.399 -8.918 1.00 44.12 C ATOM 479 CD ARG A 30 -0.919 -3.592 -10.133 1.00 33.21 C ATOM 480 NE ARG A 30 -0.496 -4.727 -10.949 1.00 11.11 N ATOM 481 CZ ARG A 30 0.516 -4.678 -11.808 1.00 21.30 C ATOM 482 NH1 ARG A 30 1.205 -3.556 -11.961 1.00 75.20 N ATOM 483 NH2 ARG A 30 0.840 -5.753 -12.515 1.00 50.12 N ATOM 0 H ARG A 30 -0.404 -4.666 -4.791 1.00 63.32 H new ATOM 0 HA ARG A 30 0.568 -2.591 -6.599 1.00 41.13 H new ATOM 0 HB2 ARG A 30 -0.366 -5.058 -7.610 1.00 11.22 H new ATOM 0 HB3 ARG A 30 -1.730 -3.968 -7.757 1.00 11.22 H new ATOM 0 HG2 ARG A 30 0.151 -2.335 -8.759 1.00 44.12 H new ATOM 0 HG3 ARG A 30 0.947 -3.858 -9.103 1.00 44.12 H new ATOM 0 HD2 ARG A 30 -1.947 -3.744 -9.805 1.00 33.21 H new ATOM 0 HD3 ARG A 30 -0.908 -2.686 -10.739 1.00 33.21 H new ATOM 0 HE ARG A 30 -1.006 -5.605 -10.854 1.00 11.11 H new ATOM 0 HH11 ARG A 30 0.958 -2.728 -11.419 1.00 75.20 H new ATOM 0 HH12 ARG A 30 1.982 -3.521 -12.621 1.00 75.20 H new ATOM 0 HH21 ARG A 30 0.312 -6.618 -12.399 1.00 50.12 H new ATOM 0 HH22 ARG A 30 1.617 -5.715 -13.174 1.00 50.12 H new ATOM 497 N LEU A 31 -1.814 -1.475 -6.462 1.00 71.51 N ATOM 498 CA LEU A 31 -2.937 -0.663 -6.006 1.00 33.35 C ATOM 499 C LEU A 31 -4.153 -1.534 -5.708 1.00 2.32 C ATOM 500 O LEU A 31 -4.944 -1.229 -4.815 1.00 21.22 O ATOM 501 CB LEU A 31 -3.292 0.387 -7.060 1.00 51.32 C ATOM 502 CG LEU A 31 -2.142 1.277 -7.536 1.00 60.44 C ATOM 503 CD1 LEU A 31 -2.329 1.654 -8.997 1.00 2.31 C ATOM 504 CD2 LEU A 31 -2.038 2.523 -6.669 1.00 3.21 C ATOM 0 H LEU A 31 -1.380 -1.149 -7.326 1.00 71.51 H new ATOM 0 HA LEU A 31 -2.641 -0.159 -5.086 1.00 33.35 H new ATOM 0 HB2 LEU A 31 -3.712 -0.124 -7.926 1.00 51.32 H new ATOM 0 HB3 LEU A 31 -4.077 1.027 -6.657 1.00 51.32 H new ATOM 0 HG LEU A 31 -1.211 0.717 -7.444 1.00 60.44 H new ATOM 0 HD11 LEU A 31 -1.502 2.287 -9.318 1.00 2.31 H new ATOM 0 HD12 LEU A 31 -2.352 0.750 -9.606 1.00 2.31 H new ATOM 0 HD13 LEU A 31 -3.268 2.195 -9.116 1.00 2.31 H new ATOM 0 HD21 LEU A 31 -1.215 3.144 -7.022 1.00 3.21 H new ATOM 0 HD22 LEU A 31 -2.969 3.086 -6.728 1.00 3.21 H new ATOM 0 HD23 LEU A 31 -1.855 2.232 -5.635 1.00 3.21 H new ATOM 516 N LYS A 32 -4.296 -2.619 -6.462 1.00 60.23 N ATOM 517 CA LYS A 32 -5.415 -3.536 -6.278 1.00 74.14 C ATOM 518 C LYS A 32 -5.548 -3.945 -4.814 1.00 51.23 C ATOM 519 O LYS A 32 -6.636 -3.889 -4.240 1.00 41.41 O ATOM 520 CB LYS A 32 -5.230 -4.780 -7.150 1.00 12.02 C ATOM 521 CG LYS A 32 -6.326 -4.966 -8.185 1.00 40.02 C ATOM 522 CD LYS A 32 -7.348 -5.996 -7.735 1.00 41.14 C ATOM 523 CE LYS A 32 -6.806 -7.412 -7.859 1.00 53.45 C ATOM 524 NZ LYS A 32 -7.140 -8.020 -9.176 1.00 41.25 N ATOM 0 H LYS A 32 -3.651 -2.885 -7.206 1.00 60.23 H new ATOM 0 HA LYS A 32 -6.328 -3.021 -6.578 1.00 74.14 H new ATOM 0 HB2 LYS A 32 -4.268 -4.717 -7.659 1.00 12.02 H new ATOM 0 HB3 LYS A 32 -5.194 -5.661 -6.509 1.00 12.02 H new ATOM 0 HG2 LYS A 32 -6.823 -4.013 -8.365 1.00 40.02 H new ATOM 0 HG3 LYS A 32 -5.885 -5.279 -9.131 1.00 40.02 H new ATOM 0 HD2 LYS A 32 -7.629 -5.803 -6.700 1.00 41.14 H new ATOM 0 HD3 LYS A 32 -8.253 -5.898 -8.335 1.00 41.14 H new ATOM 0 HE2 LYS A 32 -5.724 -7.399 -7.729 1.00 53.45 H new ATOM 0 HE3 LYS A 32 -7.216 -8.029 -7.060 1.00 53.45 H new ATOM 0 HZ1 LYS A 32 -6.753 -8.984 -9.221 1.00 41.25 H new ATOM 0 HZ2 LYS A 32 -8.173 -8.056 -9.290 1.00 41.25 H new ATOM 0 HZ3 LYS A 32 -6.727 -7.445 -9.938 1.00 41.25 H new ATOM 538 N HIS A 33 -4.435 -4.353 -4.214 1.00 71.21 N ATOM 539 CA HIS A 33 -4.426 -4.770 -2.816 1.00 1.20 C ATOM 540 C HIS A 33 -4.741 -3.591 -1.898 1.00 31.32 C ATOM 541 O HIS A 33 -5.257 -3.845 -0.809 1.00 55.14 O ATOM 542 CB HIS A 33 -3.069 -5.370 -2.447 1.00 53.42 C ATOM 543 CG HIS A 33 -2.594 -6.413 -3.412 1.00 52.53 C ATOM 544 ND1 HIS A 33 -1.477 -6.251 -4.204 1.00 73.11 N ATOM 545 CD2 HIS A 33 -3.090 -7.635 -3.709 1.00 64.51 C ATOM 546 CE1 HIS A 33 -1.308 -7.331 -4.947 1.00 53.42 C ATOM 547 NE2 HIS A 33 -2.274 -8.187 -4.665 1.00 54.14 N ATOM 0 H HIS A 33 -3.526 -4.404 -4.674 1.00 71.21 H new ATOM 0 HA HIS A 33 -5.197 -5.530 -2.684 1.00 1.20 H new ATOM 0 HB2 HIS A 33 -2.329 -4.571 -2.395 1.00 53.42 H new ATOM 0 HB3 HIS A 33 -3.134 -5.810 -1.452 1.00 53.42 H new ATOM 0 HD2 HIS A 33 -3.966 -8.093 -3.274 1.00 64.51 H new ATOM 0 HE1 HIS A 33 -0.515 -7.487 -5.663 1.00 53.42 H new ATOM 0 HE2 HIS A 33 -2.394 -9.107 -5.088 1.00 54.14 H new ATOM 555 N ILE A 34 -4.455 -2.355 -2.294 1.00 70.02 N ATOM 556 CA ILE A 34 -4.738 -1.200 -1.452 1.00 43.04 C ATOM 557 C ILE A 34 -6.236 -0.919 -1.388 1.00 33.44 C ATOM 558 O ILE A 34 -6.769 -0.568 -0.335 1.00 14.44 O ATOM 559 CB ILE A 34 -4.012 0.060 -1.961 1.00 70.24 C ATOM 560 CG1 ILE A 34 -2.552 -0.263 -2.286 1.00 22.21 C ATOM 561 CG2 ILE A 34 -4.098 1.174 -0.928 1.00 34.15 C ATOM 562 CD1 ILE A 34 -1.773 0.923 -2.809 1.00 32.03 C ATOM 0 H ILE A 34 -4.028 -2.128 -3.192 1.00 70.02 H new ATOM 0 HA ILE A 34 -4.373 -1.441 -0.454 1.00 43.04 H new ATOM 0 HB ILE A 34 -4.501 0.400 -2.874 1.00 70.24 H new ATOM 0 HG12 ILE A 34 -2.063 -0.641 -1.388 1.00 22.21 H new ATOM 0 HG13 ILE A 34 -2.521 -1.063 -3.026 1.00 22.21 H new ATOM 0 HG21 ILE A 34 -3.581 2.058 -1.302 1.00 34.15 H new ATOM 0 HG22 ILE A 34 -5.144 1.418 -0.742 1.00 34.15 H new ATOM 0 HG23 ILE A 34 -3.631 0.846 0.001 1.00 34.15 H new ATOM 0 HD11 ILE A 34 -0.747 0.621 -3.018 1.00 32.03 H new ATOM 0 HD12 ILE A 34 -2.237 1.288 -3.725 1.00 32.03 H new ATOM 0 HD13 ILE A 34 -1.772 1.716 -2.061 1.00 32.03 H new ATOM 574 N VAL A 35 -6.910 -1.079 -2.522 1.00 53.21 N ATOM 575 CA VAL A 35 -8.348 -0.845 -2.596 1.00 74.33 C ATOM 576 C VAL A 35 -9.112 -1.853 -1.745 1.00 41.00 C ATOM 577 O VAL A 35 -9.926 -1.477 -0.901 1.00 42.41 O ATOM 578 CB VAL A 35 -8.856 -0.926 -4.047 1.00 0.03 C ATOM 579 CG1 VAL A 35 -10.369 -0.781 -4.092 1.00 1.14 C ATOM 580 CG2 VAL A 35 -8.184 0.134 -4.907 1.00 40.33 C ATOM 0 H VAL A 35 -6.484 -1.370 -3.402 1.00 53.21 H new ATOM 0 HA VAL A 35 -8.526 0.160 -2.213 1.00 74.33 H new ATOM 0 HB VAL A 35 -8.597 -1.905 -4.450 1.00 0.03 H new ATOM 0 HG11 VAL A 35 -10.710 -0.841 -5.126 1.00 1.14 H new ATOM 0 HG12 VAL A 35 -10.829 -1.581 -3.512 1.00 1.14 H new ATOM 0 HG13 VAL A 35 -10.655 0.183 -3.671 1.00 1.14 H new ATOM 0 HG21 VAL A 35 -8.555 0.062 -5.929 1.00 40.33 H new ATOM 0 HG22 VAL A 35 -8.409 1.123 -4.508 1.00 40.33 H new ATOM 0 HG23 VAL A 35 -7.105 -0.022 -4.901 1.00 40.33 H new ATOM 590 N TRP A 36 -8.845 -3.134 -1.972 1.00 74.15 N ATOM 591 CA TRP A 36 -9.507 -4.197 -1.224 1.00 51.41 C ATOM 592 C TRP A 36 -9.213 -4.079 0.267 1.00 73.51 C ATOM 593 O TRP A 36 -10.017 -4.491 1.102 1.00 73.04 O ATOM 594 CB TRP A 36 -9.059 -5.565 -1.738 1.00 21.32 C ATOM 595 CG TRP A 36 -9.718 -6.711 -1.031 1.00 54.31 C ATOM 596 CD1 TRP A 36 -10.861 -7.357 -1.405 1.00 61.15 C ATOM 597 CD2 TRP A 36 -9.273 -7.343 0.174 1.00 22.31 C ATOM 598 NE1 TRP A 36 -11.155 -8.353 -0.504 1.00 35.33 N ATOM 599 CE2 TRP A 36 -10.195 -8.366 0.472 1.00 53.03 C ATOM 600 CE3 TRP A 36 -8.185 -7.147 1.029 1.00 1.04 C ATOM 601 CZ2 TRP A 36 -10.060 -9.186 1.589 1.00 60.11 C ATOM 602 CZ3 TRP A 36 -8.053 -7.961 2.137 1.00 33.42 C ATOM 603 CH2 TRP A 36 -8.985 -8.971 2.409 1.00 30.30 C ATOM 0 H TRP A 36 -8.175 -3.462 -2.668 1.00 74.15 H new ATOM 0 HA TRP A 36 -10.582 -4.095 -1.372 1.00 51.41 H new ATOM 0 HB2 TRP A 36 -9.275 -5.633 -2.804 1.00 21.32 H new ATOM 0 HB3 TRP A 36 -7.978 -5.651 -1.625 1.00 21.32 H new ATOM 0 HD1 TRP A 36 -11.448 -7.120 -2.280 1.00 61.15 H new ATOM 0 HE1 TRP A 36 -11.958 -8.980 -0.554 1.00 35.33 H new ATOM 0 HE3 TRP A 36 -7.460 -6.372 0.827 1.00 1.04 H new ATOM 0 HZ2 TRP A 36 -10.778 -9.964 1.801 1.00 60.11 H new ATOM 0 HZ3 TRP A 36 -7.217 -7.816 2.805 1.00 33.42 H new ATOM 0 HH2 TRP A 36 -8.853 -9.592 3.283 1.00 30.30 H new ATOM 614 N ALA A 37 -8.054 -3.515 0.595 1.00 43.21 N ATOM 615 CA ALA A 37 -7.656 -3.341 1.986 1.00 0.45 C ATOM 616 C ALA A 37 -8.488 -2.259 2.664 1.00 42.43 C ATOM 617 O ALA A 37 -9.102 -2.495 3.705 1.00 3.13 O ATOM 618 CB ALA A 37 -6.175 -3.003 2.072 1.00 12.42 C ATOM 0 H ALA A 37 -7.375 -3.171 -0.084 1.00 43.21 H new ATOM 0 HA ALA A 37 -7.834 -4.280 2.510 1.00 0.45 H new ATOM 0 HB1 ALA A 37 -5.891 -2.876 3.117 1.00 12.42 H new ATOM 0 HB2 ALA A 37 -5.591 -3.812 1.633 1.00 12.42 H new ATOM 0 HB3 ALA A 37 -5.981 -2.079 1.528 1.00 12.42 H new ATOM 624 N ALA A 38 -8.502 -1.070 2.071 1.00 0.42 N ATOM 625 CA ALA A 38 -9.260 0.049 2.618 1.00 31.42 C ATOM 626 C ALA A 38 -10.749 -0.274 2.678 1.00 55.32 C ATOM 627 O ALA A 38 -11.421 0.033 3.661 1.00 40.44 O ATOM 628 CB ALA A 38 -9.023 1.302 1.789 1.00 0.15 C ATOM 0 H ALA A 38 -7.997 -0.856 1.211 1.00 0.42 H new ATOM 0 HA ALA A 38 -8.913 0.229 3.635 1.00 31.42 H new ATOM 0 HB1 ALA A 38 -9.595 2.130 2.209 1.00 0.15 H new ATOM 0 HB2 ALA A 38 -7.962 1.551 1.801 1.00 0.15 H new ATOM 0 HB3 ALA A 38 -9.342 1.124 0.762 1.00 0.15 H new ATOM 634 N ASN A 39 -11.259 -0.895 1.619 1.00 52.13 N ATOM 635 CA ASN A 39 -12.670 -1.258 1.552 1.00 75.50 C ATOM 636 C ASN A 39 -13.091 -2.037 2.795 1.00 54.22 C ATOM 637 O ASN A 39 -14.168 -1.811 3.346 1.00 51.14 O ATOM 638 CB ASN A 39 -12.944 -2.092 0.298 1.00 55.10 C ATOM 639 CG ASN A 39 -14.067 -1.517 -0.543 1.00 11.02 C ATOM 640 OD1 ASN A 39 -14.046 -0.342 -0.908 1.00 33.15 O ATOM 641 ND2 ASN A 39 -15.057 -2.347 -0.854 1.00 14.11 N ATOM 0 H ASN A 39 -10.716 -1.157 0.796 1.00 52.13 H new ATOM 0 HA ASN A 39 -13.254 -0.339 1.505 1.00 75.50 H new ATOM 0 HB2 ASN A 39 -12.036 -2.149 -0.303 1.00 55.10 H new ATOM 0 HB3 ASN A 39 -13.198 -3.111 0.591 1.00 55.10 H new ATOM 0 HD21 ASN A 39 -15.841 -2.017 -1.417 1.00 14.11 H new ATOM 0 HD22 ASN A 39 -15.033 -3.314 -0.530 1.00 14.11 H new ATOM 648 N LYS A 40 -12.233 -2.953 3.231 1.00 1.30 N ATOM 649 CA LYS A 40 -12.514 -3.764 4.410 1.00 31.34 C ATOM 650 C LYS A 40 -12.536 -2.903 5.669 1.00 62.52 C ATOM 651 O LYS A 40 -13.395 -3.076 6.535 1.00 75.45 O ATOM 652 CB LYS A 40 -11.466 -4.870 4.554 1.00 41.13 C ATOM 653 CG LYS A 40 -11.691 -6.047 3.619 1.00 41.05 C ATOM 654 CD LYS A 40 -12.510 -7.139 4.287 1.00 21.55 C ATOM 655 CE LYS A 40 -13.667 -7.585 3.405 1.00 70.12 C ATOM 656 NZ LYS A 40 -13.347 -8.834 2.660 1.00 5.21 N ATOM 0 H LYS A 40 -11.337 -3.152 2.786 1.00 1.30 H new ATOM 0 HA LYS A 40 -13.497 -4.217 4.284 1.00 31.34 H new ATOM 0 HB2 LYS A 40 -10.478 -4.450 4.365 1.00 41.13 H new ATOM 0 HB3 LYS A 40 -11.468 -5.229 5.583 1.00 41.13 H new ATOM 0 HG2 LYS A 40 -12.203 -5.706 2.719 1.00 41.05 H new ATOM 0 HG3 LYS A 40 -10.729 -6.453 3.305 1.00 41.05 H new ATOM 0 HD2 LYS A 40 -11.869 -7.993 4.508 1.00 21.55 H new ATOM 0 HD3 LYS A 40 -12.896 -6.775 5.239 1.00 21.55 H new ATOM 0 HE2 LYS A 40 -14.552 -7.746 4.021 1.00 70.12 H new ATOM 0 HE3 LYS A 40 -13.911 -6.792 2.698 1.00 70.12 H new ATOM 0 HZ1 LYS A 40 -13.949 -8.898 1.815 1.00 5.21 H new ATOM 0 HZ2 LYS A 40 -12.348 -8.821 2.373 1.00 5.21 H new ATOM 0 HZ3 LYS A 40 -13.520 -9.657 3.272 1.00 5.21 H new ATOM 670 N LEU A 41 -11.590 -1.977 5.764 1.00 12.32 N ATOM 671 CA LEU A 41 -11.502 -1.087 6.918 1.00 23.14 C ATOM 672 C LEU A 41 -12.762 -0.238 7.047 1.00 43.40 C ATOM 673 O LEU A 41 -13.327 -0.107 8.133 1.00 14.05 O ATOM 674 CB LEU A 41 -10.274 -0.185 6.798 1.00 11.52 C ATOM 675 CG LEU A 41 -8.925 -0.896 6.693 1.00 1.35 C ATOM 676 CD1 LEU A 41 -7.843 0.075 6.247 1.00 73.43 C ATOM 677 CD2 LEU A 41 -8.555 -1.537 8.023 1.00 11.35 C ATOM 0 H LEU A 41 -10.872 -1.822 5.056 1.00 12.32 H new ATOM 0 HA LEU A 41 -11.407 -1.701 7.814 1.00 23.14 H new ATOM 0 HB2 LEU A 41 -10.398 0.448 5.919 1.00 11.52 H new ATOM 0 HB3 LEU A 41 -10.247 0.475 7.665 1.00 11.52 H new ATOM 0 HG LEU A 41 -9.008 -1.683 5.944 1.00 1.35 H new ATOM 0 HD11 LEU A 41 -6.890 -0.449 6.178 1.00 73.43 H new ATOM 0 HD12 LEU A 41 -8.103 0.486 5.271 1.00 73.43 H new ATOM 0 HD13 LEU A 41 -7.760 0.885 6.972 1.00 73.43 H new ATOM 0 HD21 LEU A 41 -7.592 -2.039 7.930 1.00 11.35 H new ATOM 0 HD22 LEU A 41 -8.490 -0.767 8.792 1.00 11.35 H new ATOM 0 HD23 LEU A 41 -9.318 -2.265 8.301 1.00 11.35 H new ATOM 689 N ASP A 42 -13.199 0.337 5.931 1.00 3.40 N ATOM 690 CA ASP A 42 -14.395 1.172 5.918 1.00 14.10 C ATOM 691 C ASP A 42 -15.587 0.423 6.507 1.00 53.11 C ATOM 692 O ASP A 42 -16.263 0.923 7.407 1.00 1.15 O ATOM 693 CB ASP A 42 -14.713 1.622 4.492 1.00 44.00 C ATOM 694 CG ASP A 42 -15.765 2.712 4.449 1.00 44.45 C ATOM 695 OD1 ASP A 42 -15.404 3.894 4.628 1.00 53.35 O ATOM 696 OD2 ASP A 42 -16.951 2.383 4.238 1.00 2.12 O ATOM 0 H ASP A 42 -12.743 0.240 5.024 1.00 3.40 H new ATOM 0 HA ASP A 42 -14.202 2.051 6.533 1.00 14.10 H new ATOM 0 HB2 ASP A 42 -13.801 1.983 4.016 1.00 44.00 H new ATOM 0 HB3 ASP A 42 -15.058 0.766 3.912 1.00 44.00 H new ATOM 701 N ARG A 43 -15.838 -0.776 5.993 1.00 64.11 N ATOM 702 CA ARG A 43 -16.949 -1.592 6.467 1.00 1.25 C ATOM 703 C ARG A 43 -16.722 -2.037 7.908 1.00 44.40 C ATOM 704 O ARG A 43 -17.600 -1.890 8.760 1.00 33.44 O ATOM 705 CB ARG A 43 -17.131 -2.815 5.566 1.00 32.31 C ATOM 706 CG ARG A 43 -18.579 -3.088 5.193 1.00 12.24 C ATOM 707 CD ARG A 43 -18.976 -2.348 3.925 1.00 13.12 C ATOM 708 NE ARG A 43 -20.237 -2.841 3.376 1.00 53.42 N ATOM 709 CZ ARG A 43 -20.776 -2.384 2.251 1.00 43.12 C ATOM 710 NH1 ARG A 43 -20.167 -1.431 1.559 1.00 22.21 N ATOM 711 NH2 ARG A 43 -21.926 -2.883 1.815 1.00 44.52 N ATOM 0 H ARG A 43 -15.287 -1.204 5.249 1.00 64.11 H new ATOM 0 HA ARG A 43 -17.854 -0.985 6.432 1.00 1.25 H new ATOM 0 HB2 ARG A 43 -16.551 -2.673 4.654 1.00 32.31 H new ATOM 0 HB3 ARG A 43 -16.723 -3.691 6.071 1.00 32.31 H new ATOM 0 HG2 ARG A 43 -18.724 -4.159 5.051 1.00 12.24 H new ATOM 0 HG3 ARG A 43 -19.231 -2.784 6.012 1.00 12.24 H new ATOM 0 HD2 ARG A 43 -19.066 -1.283 4.140 1.00 13.12 H new ATOM 0 HD3 ARG A 43 -18.188 -2.458 3.179 1.00 13.12 H new ATOM 0 HE ARG A 43 -20.730 -3.576 3.884 1.00 53.42 H new ATOM 0 HH11 ARG A 43 -19.282 -1.047 1.890 1.00 22.21 H new ATOM 0 HH12 ARG A 43 -20.583 -1.082 0.696 1.00 22.21 H new ATOM 0 HH21 ARG A 43 -22.396 -3.618 2.344 1.00 44.52 H new ATOM 0 HH22 ARG A 43 -22.339 -2.532 0.951 1.00 44.52 H new ATOM 725 N PHE A 44 -15.540 -2.582 8.174 1.00 74.13 N ATOM 726 CA PHE A 44 -15.197 -3.049 9.513 1.00 24.24 C ATOM 727 C PHE A 44 -15.498 -1.978 10.557 1.00 1.03 C ATOM 728 O PHE A 44 -16.108 -2.256 11.588 1.00 71.24 O ATOM 729 CB PHE A 44 -13.720 -3.440 9.576 1.00 52.44 C ATOM 730 CG PHE A 44 -13.477 -4.906 9.365 1.00 62.44 C ATOM 731 CD1 PHE A 44 -14.086 -5.848 10.180 1.00 3.11 C ATOM 732 CD2 PHE A 44 -12.641 -5.345 8.351 1.00 73.34 C ATOM 733 CE1 PHE A 44 -13.863 -7.198 9.989 1.00 25.43 C ATOM 734 CE2 PHE A 44 -12.415 -6.695 8.154 1.00 44.22 C ATOM 735 CZ PHE A 44 -13.028 -7.622 8.974 1.00 1.11 C ATOM 0 H PHE A 44 -14.803 -2.711 7.481 1.00 74.13 H new ATOM 0 HA PHE A 44 -15.807 -3.925 9.733 1.00 24.24 H new ATOM 0 HB2 PHE A 44 -13.171 -2.877 8.821 1.00 52.44 H new ATOM 0 HB3 PHE A 44 -13.317 -3.149 10.546 1.00 52.44 H new ATOM 0 HD1 PHE A 44 -14.742 -5.523 10.973 1.00 3.11 H new ATOM 0 HD2 PHE A 44 -12.160 -4.624 7.707 1.00 73.34 H new ATOM 0 HE1 PHE A 44 -14.341 -7.921 10.633 1.00 25.43 H new ATOM 0 HE2 PHE A 44 -11.760 -7.024 7.360 1.00 44.22 H new ATOM 0 HZ PHE A 44 -12.855 -8.677 8.822 1.00 1.11 H new ATOM 745 N GLY A 45 -15.066 -0.752 10.279 1.00 62.15 N ATOM 746 CA GLY A 45 -15.297 0.343 11.203 1.00 50.15 C ATOM 747 C GLY A 45 -14.119 1.293 11.283 1.00 32.21 C ATOM 748 O GLY A 45 -14.206 2.351 11.908 1.00 62.12 O ATOM 0 H GLY A 45 -14.560 -0.497 9.431 1.00 62.15 H new ATOM 0 HA2 GLY A 45 -16.184 0.895 10.893 1.00 50.15 H new ATOM 0 HA3 GLY A 45 -15.503 -0.060 12.195 1.00 50.15 H new ATOM 752 N LEU A 46 -13.013 0.916 10.651 1.00 3.11 N ATOM 753 CA LEU A 46 -11.810 1.742 10.653 1.00 44.33 C ATOM 754 C LEU A 46 -11.804 2.698 9.465 1.00 4.44 C ATOM 755 O LEU A 46 -12.581 2.539 8.523 1.00 71.04 O ATOM 756 CB LEU A 46 -10.562 0.860 10.620 1.00 21.33 C ATOM 757 CG LEU A 46 -10.312 0.003 11.861 1.00 72.44 C ATOM 758 CD1 LEU A 46 -10.251 -1.471 11.489 1.00 54.21 C ATOM 759 CD2 LEU A 46 -9.029 0.433 12.557 1.00 42.42 C ATOM 0 H LEU A 46 -12.924 0.043 10.130 1.00 3.11 H new ATOM 0 HA LEU A 46 -11.805 2.332 11.570 1.00 44.33 H new ATOM 0 HB2 LEU A 46 -10.631 0.200 9.755 1.00 21.33 H new ATOM 0 HB3 LEU A 46 -9.693 1.500 10.464 1.00 21.33 H new ATOM 0 HG LEU A 46 -11.142 0.148 12.552 1.00 72.44 H new ATOM 0 HD11 LEU A 46 -10.072 -2.065 12.385 1.00 54.21 H new ATOM 0 HD12 LEU A 46 -11.196 -1.772 11.037 1.00 54.21 H new ATOM 0 HD13 LEU A 46 -9.441 -1.634 10.778 1.00 54.21 H new ATOM 0 HD21 LEU A 46 -8.867 -0.188 13.438 1.00 42.42 H new ATOM 0 HD22 LEU A 46 -8.188 0.318 11.873 1.00 42.42 H new ATOM 0 HD23 LEU A 46 -9.111 1.477 12.859 1.00 42.42 H new ATOM 771 N ALA A 47 -10.920 3.689 9.514 1.00 44.43 N ATOM 772 CA ALA A 47 -10.809 4.668 8.440 1.00 30.10 C ATOM 773 C ALA A 47 -9.722 4.272 7.446 1.00 71.31 C ATOM 774 O ALA A 47 -8.897 3.403 7.730 1.00 3.44 O ATOM 775 CB ALA A 47 -10.526 6.049 9.011 1.00 43.33 C ATOM 0 H ALA A 47 -10.270 3.835 10.286 1.00 44.43 H new ATOM 0 HA ALA A 47 -11.760 4.695 7.908 1.00 30.10 H new ATOM 0 HB1 ALA A 47 -10.446 6.770 8.197 1.00 43.33 H new ATOM 0 HB2 ALA A 47 -11.339 6.341 9.676 1.00 43.33 H new ATOM 0 HB3 ALA A 47 -9.590 6.027 9.570 1.00 43.33 H new ATOM 781 N GLU A 48 -9.728 4.914 6.283 1.00 14.21 N ATOM 782 CA GLU A 48 -8.742 4.627 5.248 1.00 21.54 C ATOM 783 C GLU A 48 -7.585 5.620 5.306 1.00 11.34 C ATOM 784 O GLU A 48 -6.503 5.362 4.778 1.00 4.12 O ATOM 785 CB GLU A 48 -9.395 4.669 3.864 1.00 72.31 C ATOM 786 CG GLU A 48 -10.053 6.000 3.541 1.00 61.33 C ATOM 787 CD GLU A 48 -9.306 6.775 2.474 1.00 11.10 C ATOM 788 OE1 GLU A 48 -9.359 6.366 1.296 1.00 74.21 O ATOM 789 OE2 GLU A 48 -8.670 7.793 2.817 1.00 51.41 O ATOM 0 H GLU A 48 -10.404 5.636 6.034 1.00 14.21 H new ATOM 0 HA GLU A 48 -8.348 3.626 5.427 1.00 21.54 H new ATOM 0 HB2 GLU A 48 -8.639 4.454 3.108 1.00 72.31 H new ATOM 0 HB3 GLU A 48 -10.143 3.879 3.800 1.00 72.31 H new ATOM 0 HG2 GLU A 48 -11.076 5.824 3.208 1.00 61.33 H new ATOM 0 HG3 GLU A 48 -10.112 6.602 4.448 1.00 61.33 H new ATOM 796 N SER A 49 -7.823 6.758 5.951 1.00 51.23 N ATOM 797 CA SER A 49 -6.804 7.793 6.075 1.00 53.25 C ATOM 798 C SER A 49 -5.660 7.325 6.970 1.00 13.12 C ATOM 799 O SER A 49 -4.603 7.954 7.028 1.00 52.31 O ATOM 800 CB SER A 49 -7.415 9.076 6.641 1.00 71.01 C ATOM 801 OG SER A 49 -8.596 9.430 5.940 1.00 73.14 O ATOM 0 H SER A 49 -8.712 6.986 6.395 1.00 51.23 H new ATOM 0 HA SER A 49 -6.406 7.996 5.081 1.00 53.25 H new ATOM 0 HB2 SER A 49 -7.643 8.939 7.698 1.00 71.01 H new ATOM 0 HB3 SER A 49 -6.691 9.888 6.574 1.00 71.01 H new ATOM 0 HG SER A 49 -8.969 10.252 6.321 1.00 73.14 H new ATOM 807 N LEU A 50 -5.878 6.215 7.667 1.00 1.11 N ATOM 808 CA LEU A 50 -4.867 5.660 8.560 1.00 41.43 C ATOM 809 C LEU A 50 -3.904 4.757 7.797 1.00 33.21 C ATOM 810 O LEU A 50 -3.026 4.126 8.389 1.00 0.51 O ATOM 811 CB LEU A 50 -5.533 4.875 9.692 1.00 14.41 C ATOM 812 CG LEU A 50 -6.516 5.657 10.563 1.00 1.42 C ATOM 813 CD1 LEU A 50 -7.248 4.722 11.513 1.00 71.22 C ATOM 814 CD2 LEU A 50 -5.792 6.748 11.337 1.00 53.14 C ATOM 0 H LEU A 50 -6.747 5.681 7.631 1.00 1.11 H new ATOM 0 HA LEU A 50 -4.300 6.488 8.986 1.00 41.43 H new ATOM 0 HB2 LEU A 50 -6.060 4.026 9.257 1.00 14.41 H new ATOM 0 HB3 LEU A 50 -4.752 4.470 10.335 1.00 14.41 H new ATOM 0 HG LEU A 50 -7.252 6.129 9.912 1.00 1.42 H new ATOM 0 HD11 LEU A 50 -7.943 5.296 12.125 1.00 71.22 H new ATOM 0 HD12 LEU A 50 -7.800 3.978 10.938 1.00 71.22 H new ATOM 0 HD13 LEU A 50 -6.526 4.220 12.158 1.00 71.22 H new ATOM 0 HD21 LEU A 50 -6.508 7.294 11.951 1.00 53.14 H new ATOM 0 HD22 LEU A 50 -5.033 6.298 11.977 1.00 53.14 H new ATOM 0 HD23 LEU A 50 -5.315 7.435 10.638 1.00 53.14 H new ATOM 826 N LEU A 51 -4.071 4.700 6.480 1.00 62.54 N ATOM 827 CA LEU A 51 -3.216 3.875 5.635 1.00 35.22 C ATOM 828 C LEU A 51 -2.080 4.701 5.040 1.00 72.51 C ATOM 829 O LEU A 51 -1.191 4.165 4.378 1.00 2.31 O ATOM 830 CB LEU A 51 -4.036 3.234 4.514 1.00 43.23 C ATOM 831 CG LEU A 51 -4.714 1.906 4.853 1.00 74.32 C ATOM 832 CD1 LEU A 51 -5.980 1.727 4.031 1.00 61.32 C ATOM 833 CD2 LEU A 51 -3.756 0.746 4.622 1.00 41.10 C ATOM 0 H LEU A 51 -4.791 5.216 5.975 1.00 62.54 H new ATOM 0 HA LEU A 51 -2.785 3.089 6.255 1.00 35.22 H new ATOM 0 HB2 LEU A 51 -4.804 3.942 4.203 1.00 43.23 H new ATOM 0 HB3 LEU A 51 -3.381 3.076 3.657 1.00 43.23 H new ATOM 0 HG LEU A 51 -4.991 1.919 5.907 1.00 74.32 H new ATOM 0 HD11 LEU A 51 -6.448 0.776 4.286 1.00 61.32 H new ATOM 0 HD12 LEU A 51 -6.672 2.542 4.246 1.00 61.32 H new ATOM 0 HD13 LEU A 51 -5.729 1.735 2.970 1.00 61.32 H new ATOM 0 HD21 LEU A 51 -4.254 -0.192 4.868 1.00 41.10 H new ATOM 0 HD22 LEU A 51 -3.449 0.730 3.576 1.00 41.10 H new ATOM 0 HD23 LEU A 51 -2.878 0.868 5.256 1.00 41.10 H new ATOM 845 N GLU A 52 -2.115 6.008 5.283 1.00 75.33 N ATOM 846 CA GLU A 52 -1.086 6.907 4.773 1.00 21.54 C ATOM 847 C GLU A 52 -0.250 7.481 5.913 1.00 22.22 C ATOM 848 O GLU A 52 0.219 8.617 5.842 1.00 21.42 O ATOM 849 CB GLU A 52 -1.723 8.043 3.971 1.00 4.11 C ATOM 850 CG GLU A 52 -2.904 8.695 4.671 1.00 61.30 C ATOM 851 CD GLU A 52 -2.996 10.183 4.397 1.00 53.50 C ATOM 852 OE1 GLU A 52 -3.540 10.559 3.337 1.00 22.30 O ATOM 853 OE2 GLU A 52 -2.523 10.973 5.241 1.00 64.34 O ATOM 0 H GLU A 52 -2.844 6.467 5.829 1.00 75.33 H new ATOM 0 HA GLU A 52 -0.430 6.333 4.119 1.00 21.54 H new ATOM 0 HB2 GLU A 52 -0.967 8.802 3.769 1.00 4.11 H new ATOM 0 HB3 GLU A 52 -2.052 7.656 3.007 1.00 4.11 H new ATOM 0 HG2 GLU A 52 -3.826 8.212 4.346 1.00 61.30 H new ATOM 0 HG3 GLU A 52 -2.820 8.532 5.745 1.00 61.30 H new ATOM 860 N SER A 53 -0.069 6.688 6.963 1.00 75.52 N ATOM 861 CA SER A 53 0.707 7.117 8.121 1.00 14.14 C ATOM 862 C SER A 53 0.967 5.948 9.066 1.00 23.52 C ATOM 863 O SER A 53 0.061 5.174 9.378 1.00 30.51 O ATOM 864 CB SER A 53 -0.024 8.236 8.864 1.00 64.54 C ATOM 865 OG SER A 53 -0.714 7.731 9.996 1.00 31.51 O ATOM 0 H SER A 53 -0.449 5.744 7.036 1.00 75.52 H new ATOM 0 HA SER A 53 1.666 7.493 7.765 1.00 14.14 H new ATOM 0 HB2 SER A 53 0.692 8.995 9.179 1.00 64.54 H new ATOM 0 HB3 SER A 53 -0.730 8.723 8.191 1.00 64.54 H new ATOM 0 HG SER A 53 -1.416 7.113 9.703 1.00 31.51 H new ATOM 871 N LYS A 54 2.210 5.825 9.519 1.00 43.41 N ATOM 872 CA LYS A 54 2.591 4.752 10.429 1.00 43.51 C ATOM 873 C LYS A 54 1.734 4.780 11.691 1.00 72.44 C ATOM 874 O LYS A 54 1.247 3.744 12.144 1.00 71.12 O ATOM 875 CB LYS A 54 4.070 4.874 10.802 1.00 34.12 C ATOM 876 CG LYS A 54 4.451 6.240 11.344 1.00 42.23 C ATOM 877 CD LYS A 54 5.953 6.364 11.538 1.00 63.03 C ATOM 878 CE LYS A 54 6.587 7.212 10.446 1.00 53.11 C ATOM 879 NZ LYS A 54 6.708 8.640 10.852 1.00 40.02 N ATOM 0 H LYS A 54 2.972 6.456 9.270 1.00 43.41 H new ATOM 0 HA LYS A 54 2.428 3.802 9.920 1.00 43.51 H new ATOM 0 HB2 LYS A 54 4.311 4.117 11.548 1.00 34.12 H new ATOM 0 HB3 LYS A 54 4.677 4.660 9.922 1.00 34.12 H new ATOM 0 HG2 LYS A 54 4.107 7.014 10.658 1.00 42.23 H new ATOM 0 HG3 LYS A 54 3.945 6.409 12.295 1.00 42.23 H new ATOM 0 HD2 LYS A 54 6.160 6.808 12.512 1.00 63.03 H new ATOM 0 HD3 LYS A 54 6.404 5.372 11.538 1.00 63.03 H new ATOM 0 HE2 LYS A 54 7.575 6.817 10.207 1.00 53.11 H new ATOM 0 HE3 LYS A 54 5.988 7.142 9.538 1.00 53.11 H new ATOM 0 HZ1 LYS A 54 7.145 9.184 10.081 1.00 40.02 H new ATOM 0 HZ2 LYS A 54 5.763 9.024 11.055 1.00 40.02 H new ATOM 0 HZ3 LYS A 54 7.301 8.710 11.704 1.00 40.02 H new ATOM 893 N GLU A 55 1.553 5.971 12.254 1.00 34.14 N ATOM 894 CA GLU A 55 0.755 6.131 13.463 1.00 4.34 C ATOM 895 C GLU A 55 -0.667 5.617 13.248 1.00 14.31 C ATOM 896 O GLU A 55 -1.272 5.039 14.148 1.00 71.25 O ATOM 897 CB GLU A 55 0.719 7.601 13.885 1.00 43.32 C ATOM 898 CG GLU A 55 0.657 7.800 15.390 1.00 71.34 C ATOM 899 CD GLU A 55 0.538 9.260 15.782 1.00 42.13 C ATOM 900 OE1 GLU A 55 -0.029 10.041 14.991 1.00 3.04 O ATOM 901 OE2 GLU A 55 1.013 9.621 16.879 1.00 2.43 O ATOM 0 H GLU A 55 1.948 6.839 11.892 1.00 34.14 H new ATOM 0 HA GLU A 55 1.219 5.544 14.255 1.00 4.34 H new ATOM 0 HB2 GLU A 55 1.605 8.104 13.497 1.00 43.32 H new ATOM 0 HB3 GLU A 55 -0.146 8.081 13.427 1.00 43.32 H new ATOM 0 HG2 GLU A 55 -0.194 7.250 15.790 1.00 71.34 H new ATOM 0 HG3 GLU A 55 1.552 7.377 15.846 1.00 71.34 H new ATOM 908 N GLY A 56 -1.193 5.835 12.046 1.00 63.03 N ATOM 909 CA GLY A 56 -2.538 5.389 11.734 1.00 3.52 C ATOM 910 C GLY A 56 -2.613 3.894 11.498 1.00 43.04 C ATOM 911 O GLY A 56 -3.477 3.213 12.055 1.00 12.54 O ATOM 0 H GLY A 56 -0.712 6.312 11.284 1.00 63.03 H new ATOM 0 HA2 GLY A 56 -3.206 5.658 12.552 1.00 3.52 H new ATOM 0 HA3 GLY A 56 -2.894 5.912 10.847 1.00 3.52 H new ATOM 915 N CYS A 57 -1.709 3.381 10.672 1.00 23.44 N ATOM 916 CA CYS A 57 -1.679 1.955 10.360 1.00 55.44 C ATOM 917 C CYS A 57 -1.483 1.128 11.627 1.00 15.24 C ATOM 918 O CYS A 57 -1.959 -0.004 11.719 1.00 54.30 O ATOM 919 CB CYS A 57 -0.560 1.654 9.362 1.00 41.12 C ATOM 920 SG CYS A 57 -1.144 1.285 7.691 1.00 2.32 S ATOM 0 H CYS A 57 -0.987 3.930 10.206 1.00 23.44 H new ATOM 0 HA CYS A 57 -2.636 1.684 9.914 1.00 55.44 H new ATOM 0 HB2 CYS A 57 0.115 2.509 9.319 1.00 41.12 H new ATOM 0 HB3 CYS A 57 0.021 0.808 9.728 1.00 41.12 H new ATOM 0 HG CYS A 57 -0.313 0.471 7.111 1.00 2.32 H new ATOM 926 N GLN A 58 -0.777 1.699 12.598 1.00 5.20 N ATOM 927 CA GLN A 58 -0.518 1.012 13.857 1.00 54.11 C ATOM 928 C GLN A 58 -1.806 0.821 14.650 1.00 51.04 C ATOM 929 O GLN A 58 -1.977 -0.179 15.347 1.00 41.03 O ATOM 930 CB GLN A 58 0.497 1.797 14.691 1.00 21.12 C ATOM 931 CG GLN A 58 1.063 1.009 15.861 1.00 11.55 C ATOM 932 CD GLN A 58 2.399 1.549 16.336 1.00 64.33 C ATOM 933 OE1 GLN A 58 3.352 0.794 16.530 1.00 45.21 O ATOM 934 NE2 GLN A 58 2.473 2.861 16.525 1.00 73.21 N ATOM 0 H GLN A 58 -0.375 2.634 12.537 1.00 5.20 H new ATOM 0 HA GLN A 58 -0.107 0.029 13.627 1.00 54.11 H new ATOM 0 HB2 GLN A 58 1.317 2.114 14.046 1.00 21.12 H new ATOM 0 HB3 GLN A 58 0.021 2.702 15.069 1.00 21.12 H new ATOM 0 HG2 GLN A 58 0.352 1.031 16.687 1.00 11.55 H new ATOM 0 HG3 GLN A 58 1.180 -0.035 15.569 1.00 11.55 H new ATOM 0 HE21 GLN A 58 1.657 3.448 16.351 1.00 73.21 H new ATOM 0 HE22 GLN A 58 3.346 3.282 16.844 1.00 73.21 H new ATOM 943 N LYS A 59 -2.711 1.789 14.540 1.00 73.41 N ATOM 944 CA LYS A 59 -3.986 1.728 15.246 1.00 33.41 C ATOM 945 C LYS A 59 -4.889 0.655 14.646 1.00 45.14 C ATOM 946 O LYS A 59 -5.809 0.166 15.303 1.00 52.20 O ATOM 947 CB LYS A 59 -4.686 3.088 15.195 1.00 10.04 C ATOM 948 CG LYS A 59 -4.916 3.706 16.562 1.00 71.21 C ATOM 949 CD LYS A 59 -3.751 4.589 16.978 1.00 4.33 C ATOM 950 CE LYS A 59 -3.945 6.023 16.510 1.00 10.02 C ATOM 951 NZ LYS A 59 -2.680 6.611 15.988 1.00 3.22 N ATOM 0 H LYS A 59 -2.585 2.625 13.969 1.00 73.41 H new ATOM 0 HA LYS A 59 -3.786 1.469 16.286 1.00 33.41 H new ATOM 0 HB2 LYS A 59 -4.089 3.772 14.592 1.00 10.04 H new ATOM 0 HB3 LYS A 59 -5.646 2.974 14.691 1.00 10.04 H new ATOM 0 HG2 LYS A 59 -5.833 4.295 16.546 1.00 71.21 H new ATOM 0 HG3 LYS A 59 -5.057 2.917 17.300 1.00 71.21 H new ATOM 0 HD2 LYS A 59 -3.648 4.570 18.063 1.00 4.33 H new ATOM 0 HD3 LYS A 59 -2.825 4.191 16.563 1.00 4.33 H new ATOM 0 HE2 LYS A 59 -4.707 6.051 15.731 1.00 10.02 H new ATOM 0 HE3 LYS A 59 -4.313 6.629 17.338 1.00 10.02 H new ATOM 0 HZ1 LYS A 59 -2.874 7.550 15.586 1.00 3.22 H new ATOM 0 HZ2 LYS A 59 -1.993 6.701 16.764 1.00 3.22 H new ATOM 0 HZ3 LYS A 59 -2.289 5.992 15.249 1.00 3.22 H new ATOM 965 N ILE A 60 -4.621 0.294 13.396 1.00 0.15 N ATOM 966 CA ILE A 60 -5.409 -0.722 12.709 1.00 61.03 C ATOM 967 C ILE A 60 -4.908 -2.123 13.041 1.00 61.12 C ATOM 968 O ILE A 60 -5.699 -3.035 13.289 1.00 12.22 O ATOM 969 CB ILE A 60 -5.375 -0.524 11.182 1.00 60.44 C ATOM 970 CG1 ILE A 60 -5.730 0.920 10.824 1.00 72.23 C ATOM 971 CG2 ILE A 60 -6.328 -1.495 10.501 1.00 20.11 C ATOM 972 CD1 ILE A 60 -5.672 1.207 9.341 1.00 24.14 C ATOM 0 H ILE A 60 -3.864 0.690 12.838 1.00 0.15 H new ATOM 0 HA ILE A 60 -6.436 -0.614 13.058 1.00 61.03 H new ATOM 0 HB ILE A 60 -4.365 -0.727 10.827 1.00 60.44 H new ATOM 0 HG12 ILE A 60 -6.733 1.140 11.189 1.00 72.23 H new ATOM 0 HG13 ILE A 60 -5.047 1.593 11.343 1.00 72.23 H new ATOM 0 HG21 ILE A 60 -6.293 -1.343 9.422 1.00 20.11 H new ATOM 0 HG22 ILE A 60 -6.032 -2.518 10.733 1.00 20.11 H new ATOM 0 HG23 ILE A 60 -7.343 -1.321 10.859 1.00 20.11 H new ATOM 0 HD11 ILE A 60 -5.935 2.249 9.162 1.00 24.14 H new ATOM 0 HD12 ILE A 60 -4.663 1.019 8.973 1.00 24.14 H new ATOM 0 HD13 ILE A 60 -6.375 0.560 8.817 1.00 24.14 H new ATOM 984 N LEU A 61 -3.590 -2.288 13.046 1.00 12.11 N ATOM 985 CA LEU A 61 -2.981 -3.579 13.349 1.00 62.30 C ATOM 986 C LEU A 61 -3.380 -4.055 14.743 1.00 31.34 C ATOM 987 O LEU A 61 -3.503 -5.255 14.989 1.00 64.44 O ATOM 988 CB LEU A 61 -1.458 -3.483 13.247 1.00 61.53 C ATOM 989 CG LEU A 61 -0.880 -3.465 11.832 1.00 12.12 C ATOM 990 CD1 LEU A 61 0.615 -3.189 11.869 1.00 13.11 C ATOM 991 CD2 LEU A 61 -1.163 -4.781 11.123 1.00 24.22 C ATOM 0 H LEU A 61 -2.922 -1.544 12.844 1.00 12.11 H new ATOM 0 HA LEU A 61 -3.343 -4.304 12.620 1.00 62.30 H new ATOM 0 HB2 LEU A 61 -1.136 -2.577 13.761 1.00 61.53 H new ATOM 0 HB3 LEU A 61 -1.024 -4.326 13.784 1.00 61.53 H new ATOM 0 HG LEU A 61 -1.363 -2.663 11.274 1.00 12.12 H new ATOM 0 HD11 LEU A 61 1.009 -3.180 10.853 1.00 13.11 H new ATOM 0 HD12 LEU A 61 0.795 -2.221 12.336 1.00 13.11 H new ATOM 0 HD13 LEU A 61 1.115 -3.968 12.445 1.00 13.11 H new ATOM 0 HD21 LEU A 61 -0.744 -4.750 10.117 1.00 24.22 H new ATOM 0 HD22 LEU A 61 -0.708 -5.600 11.680 1.00 24.22 H new ATOM 0 HD23 LEU A 61 -2.240 -4.938 11.063 1.00 24.22 H new ATOM 1003 N THR A 62 -3.583 -3.106 15.651 1.00 45.21 N ATOM 1004 CA THR A 62 -3.969 -3.427 17.019 1.00 23.13 C ATOM 1005 C THR A 62 -5.376 -4.012 17.070 1.00 35.32 C ATOM 1006 O THR A 62 -5.699 -4.803 17.957 1.00 14.11 O ATOM 1007 CB THR A 62 -3.909 -2.184 17.926 1.00 64.00 C ATOM 1008 OG1 THR A 62 -3.631 -2.575 19.275 1.00 1.31 O ATOM 1009 CG2 THR A 62 -5.221 -1.415 17.876 1.00 50.13 C ATOM 0 H THR A 62 -3.486 -2.108 15.463 1.00 45.21 H new ATOM 0 HA THR A 62 -3.257 -4.168 17.383 1.00 23.13 H new ATOM 0 HB THR A 62 -3.111 -1.535 17.565 1.00 64.00 H new ATOM 0 HG1 THR A 62 -3.593 -1.779 19.845 1.00 1.31 H new ATOM 0 HG21 THR A 62 -5.155 -0.541 18.524 1.00 50.13 H new ATOM 0 HG22 THR A 62 -5.416 -1.094 16.853 1.00 50.13 H new ATOM 0 HG23 THR A 62 -6.033 -2.058 18.215 1.00 50.13 H new ATOM 1017 N VAL A 63 -6.210 -3.621 16.112 1.00 13.22 N ATOM 1018 CA VAL A 63 -7.582 -4.109 16.047 1.00 63.04 C ATOM 1019 C VAL A 63 -7.676 -5.376 15.205 1.00 30.02 C ATOM 1020 O VAL A 63 -8.429 -6.295 15.528 1.00 65.01 O ATOM 1021 CB VAL A 63 -8.529 -3.045 15.460 1.00 41.15 C ATOM 1022 CG1 VAL A 63 -9.949 -3.584 15.372 1.00 53.32 C ATOM 1023 CG2 VAL A 63 -8.483 -1.774 16.295 1.00 3.05 C ATOM 0 H VAL A 63 -5.959 -2.967 15.370 1.00 13.22 H new ATOM 0 HA VAL A 63 -7.887 -4.332 17.069 1.00 63.04 H new ATOM 0 HB VAL A 63 -8.195 -2.803 14.451 1.00 41.15 H new ATOM 0 HG11 VAL A 63 -10.604 -2.819 14.955 1.00 53.32 H new ATOM 0 HG12 VAL A 63 -9.965 -4.464 14.729 1.00 53.32 H new ATOM 0 HG13 VAL A 63 -10.297 -3.856 16.368 1.00 53.32 H new ATOM 0 HG21 VAL A 63 -9.158 -1.033 15.867 1.00 3.05 H new ATOM 0 HG22 VAL A 63 -8.791 -1.998 17.316 1.00 3.05 H new ATOM 0 HG23 VAL A 63 -7.467 -1.379 16.301 1.00 3.05 H new ATOM 1033 N LEU A 64 -6.904 -5.420 14.125 1.00 2.03 N ATOM 1034 CA LEU A 64 -6.898 -6.576 13.234 1.00 44.25 C ATOM 1035 C LEU A 64 -6.106 -7.728 13.843 1.00 31.21 C ATOM 1036 O LEU A 64 -6.319 -8.891 13.501 1.00 3.45 O ATOM 1037 CB LEU A 64 -6.307 -6.196 11.876 1.00 50.20 C ATOM 1038 CG LEU A 64 -7.128 -5.217 11.036 1.00 5.50 C ATOM 1039 CD1 LEU A 64 -6.477 -5.001 9.679 1.00 50.31 C ATOM 1040 CD2 LEU A 64 -8.555 -5.723 10.871 1.00 14.42 C ATOM 0 H LEU A 64 -6.274 -4.669 13.845 1.00 2.03 H new ATOM 0 HA LEU A 64 -7.929 -6.902 13.095 1.00 44.25 H new ATOM 0 HB2 LEU A 64 -5.320 -5.764 12.040 1.00 50.20 H new ATOM 0 HB3 LEU A 64 -6.163 -7.108 11.297 1.00 50.20 H new ATOM 0 HG LEU A 64 -7.160 -4.260 11.556 1.00 5.50 H new ATOM 0 HD11 LEU A 64 -7.076 -4.301 9.096 1.00 50.31 H new ATOM 0 HD12 LEU A 64 -5.475 -4.594 9.817 1.00 50.31 H new ATOM 0 HD13 LEU A 64 -6.413 -5.952 9.151 1.00 50.31 H new ATOM 0 HD21 LEU A 64 -9.125 -5.014 10.271 1.00 14.42 H new ATOM 0 HD22 LEU A 64 -8.542 -6.692 10.373 1.00 14.42 H new ATOM 0 HD23 LEU A 64 -9.020 -5.825 11.851 1.00 14.42 H new ATOM 1052 N ASP A 65 -5.191 -7.397 14.748 1.00 50.24 N ATOM 1053 CA ASP A 65 -4.368 -8.404 15.408 1.00 13.02 C ATOM 1054 C ASP A 65 -5.238 -9.467 16.071 1.00 72.00 C ATOM 1055 O ASP A 65 -5.161 -10.654 15.753 1.00 34.15 O ATOM 1056 CB ASP A 65 -3.459 -7.749 16.449 1.00 14.55 C ATOM 1057 CG ASP A 65 -3.201 -8.648 17.641 1.00 21.44 C ATOM 1058 OD1 ASP A 65 -2.816 -9.817 17.430 1.00 20.13 O ATOM 1059 OD2 ASP A 65 -3.383 -8.184 18.786 1.00 3.44 O ATOM 0 H ASP A 65 -5.001 -6.439 15.041 1.00 50.24 H new ATOM 0 HA ASP A 65 -3.750 -8.886 14.650 1.00 13.02 H new ATOM 0 HB2 ASP A 65 -2.509 -7.487 15.983 1.00 14.55 H new ATOM 0 HB3 ASP A 65 -3.914 -6.819 16.791 1.00 14.55 H new ATOM 1064 N PRO A 66 -6.085 -9.034 17.017 1.00 34.05 N ATOM 1065 CA PRO A 66 -6.985 -9.933 17.745 1.00 1.02 C ATOM 1066 C PRO A 66 -8.099 -10.480 16.859 1.00 61.02 C ATOM 1067 O PRO A 66 -8.848 -11.367 17.267 1.00 22.24 O ATOM 1068 CB PRO A 66 -7.565 -9.040 18.844 1.00 10.31 C ATOM 1069 CG PRO A 66 -7.468 -7.657 18.299 1.00 1.23 C ATOM 1070 CD PRO A 66 -6.229 -7.633 17.446 1.00 42.14 C ATOM 0 HA PRO A 66 -6.465 -10.813 18.123 1.00 1.02 H new ATOM 0 HB2 PRO A 66 -8.598 -9.306 19.066 1.00 10.31 H new ATOM 0 HB3 PRO A 66 -7.003 -9.140 19.773 1.00 10.31 H new ATOM 0 HG2 PRO A 66 -8.351 -7.406 17.711 1.00 1.23 H new ATOM 0 HG3 PRO A 66 -7.402 -6.924 19.103 1.00 1.23 H new ATOM 0 HD2 PRO A 66 -6.340 -6.961 16.595 1.00 42.14 H new ATOM 0 HD3 PRO A 66 -5.360 -7.293 18.009 1.00 42.14 H new ATOM 1078 N MET A 67 -8.201 -9.947 15.647 1.00 14.31 N ATOM 1079 CA MET A 67 -9.223 -10.384 14.703 1.00 22.35 C ATOM 1080 C MET A 67 -8.858 -11.733 14.093 1.00 33.41 C ATOM 1081 O MET A 67 -9.713 -12.432 13.549 1.00 21.25 O ATOM 1082 CB MET A 67 -9.405 -9.343 13.597 1.00 34.42 C ATOM 1083 CG MET A 67 -10.842 -8.876 13.433 1.00 21.13 C ATOM 1084 SD MET A 67 -11.393 -7.833 14.796 1.00 2.22 S ATOM 1085 CE MET A 67 -13.135 -7.666 14.412 1.00 52.32 C ATOM 0 H MET A 67 -7.588 -9.211 15.295 1.00 14.31 H new ATOM 0 HA MET A 67 -10.161 -10.493 15.247 1.00 22.35 H new ATOM 0 HB2 MET A 67 -8.774 -8.481 13.813 1.00 34.42 H new ATOM 0 HB3 MET A 67 -9.058 -9.763 12.653 1.00 34.42 H new ATOM 0 HG2 MET A 67 -10.936 -8.324 12.498 1.00 21.13 H new ATOM 0 HG3 MET A 67 -11.496 -9.745 13.358 1.00 21.13 H new ATOM 0 HE1 MET A 67 -13.616 -7.045 15.168 1.00 52.32 H new ATOM 0 HE2 MET A 67 -13.249 -7.200 13.433 1.00 52.32 H new ATOM 0 HE3 MET A 67 -13.601 -8.651 14.401 1.00 52.32 H new ATOM 1095 N VAL A 68 -7.582 -12.095 14.186 1.00 14.40 N ATOM 1096 CA VAL A 68 -7.103 -13.361 13.643 1.00 65.05 C ATOM 1097 C VAL A 68 -7.772 -14.542 14.337 1.00 24.45 C ATOM 1098 O VAL A 68 -8.439 -15.365 13.708 1.00 72.45 O ATOM 1099 CB VAL A 68 -5.576 -13.492 13.789 1.00 62.41 C ATOM 1100 CG1 VAL A 68 -5.173 -14.956 13.884 1.00 55.15 C ATOM 1101 CG2 VAL A 68 -4.870 -12.810 12.627 1.00 21.42 C ATOM 0 H VAL A 68 -6.861 -11.529 14.633 1.00 14.40 H new ATOM 0 HA VAL A 68 -7.361 -13.370 12.584 1.00 65.05 H new ATOM 0 HB VAL A 68 -5.272 -12.996 14.711 1.00 62.41 H new ATOM 0 HG11 VAL A 68 -4.090 -15.029 13.987 1.00 55.15 H new ATOM 0 HG12 VAL A 68 -5.651 -15.409 14.752 1.00 55.15 H new ATOM 0 HG13 VAL A 68 -5.488 -15.479 12.981 1.00 55.15 H new ATOM 0 HG21 VAL A 68 -3.791 -12.912 12.746 1.00 21.42 H new ATOM 0 HG22 VAL A 68 -5.177 -13.276 11.691 1.00 21.42 H new ATOM 0 HG23 VAL A 68 -5.135 -11.753 12.610 1.00 21.42 H new ATOM 1111 N PRO A 69 -7.592 -14.631 15.663 1.00 23.01 N ATOM 1112 CA PRO A 69 -8.172 -15.709 16.470 1.00 53.33 C ATOM 1113 C PRO A 69 -9.688 -15.596 16.584 1.00 61.34 C ATOM 1114 O PRO A 69 -10.342 -16.453 17.180 1.00 44.11 O ATOM 1115 CB PRO A 69 -7.516 -15.517 17.840 1.00 2.12 C ATOM 1116 CG PRO A 69 -7.153 -14.073 17.888 1.00 3.23 C ATOM 1117 CD PRO A 69 -6.810 -13.686 16.476 1.00 53.31 C ATOM 0 HA PRO A 69 -7.993 -16.690 16.030 1.00 53.33 H new ATOM 0 HB2 PRO A 69 -8.200 -15.780 18.647 1.00 2.12 H new ATOM 0 HB3 PRO A 69 -6.636 -16.150 17.949 1.00 2.12 H new ATOM 0 HG2 PRO A 69 -7.982 -13.475 18.266 1.00 3.23 H new ATOM 0 HG3 PRO A 69 -6.308 -13.905 18.555 1.00 3.23 H new ATOM 0 HD2 PRO A 69 -7.084 -12.652 16.265 1.00 53.31 H new ATOM 0 HD3 PRO A 69 -5.741 -13.778 16.283 1.00 53.31 H new ATOM 1125 N THR A 70 -10.243 -14.533 16.010 1.00 21.02 N ATOM 1126 CA THR A 70 -11.682 -14.308 16.048 1.00 5.12 C ATOM 1127 C THR A 70 -12.185 -13.739 14.727 1.00 25.23 C ATOM 1128 O THR A 70 -12.882 -12.726 14.701 1.00 1.42 O ATOM 1129 CB THR A 70 -12.072 -13.347 17.188 1.00 73.44 C ATOM 1130 OG1 THR A 70 -11.521 -12.048 16.943 1.00 0.04 O ATOM 1131 CG2 THR A 70 -11.574 -13.869 18.528 1.00 43.11 C ATOM 0 H THR A 70 -9.717 -13.814 15.513 1.00 21.02 H new ATOM 0 HA THR A 70 -12.148 -15.278 16.224 1.00 5.12 H new ATOM 0 HB THR A 70 -13.159 -13.280 17.222 1.00 73.44 H new ATOM 0 HG1 THR A 70 -10.556 -12.064 17.115 1.00 0.04 H new ATOM 0 HG21 THR A 70 -11.861 -13.175 19.318 1.00 43.11 H new ATOM 0 HG22 THR A 70 -12.016 -14.846 18.725 1.00 43.11 H new ATOM 0 HG23 THR A 70 -10.488 -13.961 18.502 1.00 43.11 H new ATOM 1139 N GLY A 71 -11.829 -14.400 13.629 1.00 75.04 N ATOM 1140 CA GLY A 71 -12.253 -13.946 12.318 1.00 43.54 C ATOM 1141 C GLY A 71 -12.312 -15.071 11.304 1.00 45.35 C ATOM 1142 O GLY A 71 -12.275 -16.246 11.669 1.00 13.35 O ATOM 0 H GLY A 71 -11.254 -15.242 13.625 1.00 75.04 H new ATOM 0 HA2 GLY A 71 -13.236 -13.482 12.398 1.00 43.54 H new ATOM 0 HA3 GLY A 71 -11.566 -13.178 11.964 1.00 43.54 H new ATOM 1146 N SER A 72 -12.405 -14.711 10.028 1.00 64.34 N ATOM 1147 CA SER A 72 -12.475 -15.701 8.958 1.00 44.24 C ATOM 1148 C SER A 72 -11.140 -15.806 8.229 1.00 12.43 C ATOM 1149 O SER A 72 -10.134 -15.250 8.670 1.00 1.25 O ATOM 1150 CB SER A 72 -13.583 -15.336 7.969 1.00 14.43 C ATOM 1151 OG SER A 72 -13.104 -14.448 6.972 1.00 63.10 O ATOM 0 H SER A 72 -12.434 -13.742 9.709 1.00 64.34 H new ATOM 0 HA SER A 72 -12.702 -16.669 9.405 1.00 44.24 H new ATOM 0 HB2 SER A 72 -13.969 -16.241 7.500 1.00 14.43 H new ATOM 0 HB3 SER A 72 -14.414 -14.875 8.503 1.00 14.43 H new ATOM 0 HG SER A 72 -13.830 -14.231 6.351 1.00 63.10 H new ATOM 1157 N GLU A 73 -11.139 -16.524 7.111 1.00 34.43 N ATOM 1158 CA GLU A 73 -9.927 -16.704 6.319 1.00 63.21 C ATOM 1159 C GLU A 73 -9.597 -15.438 5.536 1.00 12.35 C ATOM 1160 O GLU A 73 -8.456 -14.975 5.535 1.00 42.43 O ATOM 1161 CB GLU A 73 -10.088 -17.884 5.359 1.00 11.43 C ATOM 1162 CG GLU A 73 -10.409 -19.196 6.056 1.00 14.23 C ATOM 1163 CD GLU A 73 -10.598 -20.343 5.081 1.00 1.33 C ATOM 1164 OE1 GLU A 73 -9.583 -20.927 4.647 1.00 1.43 O ATOM 1165 OE2 GLU A 73 -11.762 -20.656 4.754 1.00 1.14 O ATOM 0 H GLU A 73 -11.963 -16.991 6.733 1.00 34.43 H new ATOM 0 HA GLU A 73 -9.104 -16.912 7.003 1.00 63.21 H new ATOM 0 HB2 GLU A 73 -10.882 -17.657 4.647 1.00 11.43 H new ATOM 0 HB3 GLU A 73 -9.169 -18.003 4.785 1.00 11.43 H new ATOM 0 HG2 GLU A 73 -9.604 -19.442 6.749 1.00 14.23 H new ATOM 0 HG3 GLU A 73 -11.315 -19.076 6.650 1.00 14.23 H new ATOM 1172 N ASN A 74 -10.603 -14.882 4.868 1.00 12.04 N ATOM 1173 CA ASN A 74 -10.419 -13.670 4.079 1.00 24.02 C ATOM 1174 C ASN A 74 -9.816 -12.554 4.926 1.00 61.23 C ATOM 1175 O ASN A 74 -9.149 -11.658 4.409 1.00 52.10 O ATOM 1176 CB ASN A 74 -11.756 -13.212 3.490 1.00 42.14 C ATOM 1177 CG ASN A 74 -11.879 -13.537 2.014 1.00 44.31 C ATOM 1178 OD1 ASN A 74 -10.953 -13.306 1.237 1.00 64.14 O ATOM 1179 ND2 ASN A 74 -13.029 -14.074 1.620 1.00 73.05 N ATOM 0 H ASN A 74 -11.554 -15.252 4.858 1.00 12.04 H new ATOM 0 HA ASN A 74 -9.729 -13.898 3.266 1.00 24.02 H new ATOM 0 HB2 ASN A 74 -12.572 -13.689 4.033 1.00 42.14 H new ATOM 0 HB3 ASN A 74 -11.864 -12.137 3.633 1.00 42.14 H new ATOM 0 HD21 ASN A 74 -13.171 -14.312 0.638 1.00 73.05 H new ATOM 0 HD22 ASN A 74 -13.770 -14.248 2.299 1.00 73.05 H new ATOM 1186 N LEU A 75 -10.055 -12.616 6.232 1.00 32.21 N ATOM 1187 CA LEU A 75 -9.534 -11.612 7.153 1.00 5.54 C ATOM 1188 C LEU A 75 -8.021 -11.736 7.295 1.00 13.24 C ATOM 1189 O LEU A 75 -7.305 -10.734 7.329 1.00 4.42 O ATOM 1190 CB LEU A 75 -10.200 -11.754 8.523 1.00 73.33 C ATOM 1191 CG LEU A 75 -9.577 -10.942 9.659 1.00 45.01 C ATOM 1192 CD1 LEU A 75 -10.600 -9.988 10.255 1.00 61.34 C ATOM 1193 CD2 LEU A 75 -9.018 -11.866 10.731 1.00 73.41 C ATOM 0 H LEU A 75 -10.606 -13.351 6.676 1.00 32.21 H new ATOM 0 HA LEU A 75 -9.762 -10.627 6.745 1.00 5.54 H new ATOM 0 HB2 LEU A 75 -11.247 -11.465 8.428 1.00 73.33 H new ATOM 0 HB3 LEU A 75 -10.185 -12.807 8.805 1.00 73.33 H new ATOM 0 HG LEU A 75 -8.755 -10.353 9.251 1.00 45.01 H new ATOM 0 HD11 LEU A 75 -10.139 -9.418 11.062 1.00 61.34 H new ATOM 0 HD12 LEU A 75 -10.952 -9.304 9.483 1.00 61.34 H new ATOM 0 HD13 LEU A 75 -11.443 -10.557 10.648 1.00 61.34 H new ATOM 0 HD21 LEU A 75 -8.579 -11.271 11.531 1.00 73.41 H new ATOM 0 HD22 LEU A 75 -9.821 -12.482 11.136 1.00 73.41 H new ATOM 0 HD23 LEU A 75 -8.253 -12.508 10.295 1.00 73.41 H new ATOM 1205 N LYS A 76 -7.537 -12.971 7.375 1.00 5.22 N ATOM 1206 CA LYS A 76 -6.109 -13.227 7.509 1.00 13.31 C ATOM 1207 C LYS A 76 -5.319 -12.480 6.439 1.00 23.23 C ATOM 1208 O LYS A 76 -4.168 -12.101 6.654 1.00 41.04 O ATOM 1209 CB LYS A 76 -5.827 -14.728 7.411 1.00 65.24 C ATOM 1210 CG LYS A 76 -5.570 -15.387 8.755 1.00 72.43 C ATOM 1211 CD LYS A 76 -6.088 -16.815 8.784 1.00 61.35 C ATOM 1212 CE LYS A 76 -6.862 -17.101 10.062 1.00 53.45 C ATOM 1213 NZ LYS A 76 -5.956 -17.285 11.230 1.00 53.12 N ATOM 0 H LYS A 76 -8.115 -13.811 7.349 1.00 5.22 H new ATOM 0 HA LYS A 76 -5.792 -12.867 8.488 1.00 13.31 H new ATOM 0 HB2 LYS A 76 -6.674 -15.218 6.932 1.00 65.24 H new ATOM 0 HB3 LYS A 76 -4.962 -14.885 6.767 1.00 65.24 H new ATOM 0 HG2 LYS A 76 -4.500 -15.383 8.965 1.00 72.43 H new ATOM 0 HG3 LYS A 76 -6.052 -14.808 9.543 1.00 72.43 H new ATOM 0 HD2 LYS A 76 -6.732 -16.987 7.921 1.00 61.35 H new ATOM 0 HD3 LYS A 76 -5.251 -17.509 8.701 1.00 61.35 H new ATOM 0 HE2 LYS A 76 -7.550 -16.279 10.262 1.00 53.45 H new ATOM 0 HE3 LYS A 76 -7.467 -17.997 9.927 1.00 53.45 H new ATOM 0 HZ1 LYS A 76 -6.491 -17.140 12.110 1.00 53.12 H new ATOM 0 HZ2 LYS A 76 -5.565 -18.248 11.217 1.00 53.12 H new ATOM 0 HZ3 LYS A 76 -5.179 -16.595 11.179 1.00 53.12 H new ATOM 1227 N SER A 77 -5.946 -12.272 5.285 1.00 50.43 N ATOM 1228 CA SER A 77 -5.300 -11.572 4.180 1.00 71.31 C ATOM 1229 C SER A 77 -5.210 -10.075 4.463 1.00 70.30 C ATOM 1230 O SER A 77 -4.194 -9.438 4.181 1.00 72.32 O ATOM 1231 CB SER A 77 -6.069 -11.811 2.879 1.00 12.51 C ATOM 1232 OG SER A 77 -5.451 -12.819 2.099 1.00 72.05 O ATOM 0 H SER A 77 -6.900 -12.578 5.091 1.00 50.43 H new ATOM 0 HA SER A 77 -4.289 -11.965 4.074 1.00 71.31 H new ATOM 0 HB2 SER A 77 -7.095 -12.101 3.107 1.00 12.51 H new ATOM 0 HB3 SER A 77 -6.120 -10.884 2.307 1.00 12.51 H new ATOM 0 HG SER A 77 -5.963 -12.954 1.274 1.00 72.05 H new ATOM 1238 N LEU A 78 -6.279 -9.521 5.024 1.00 2.44 N ATOM 1239 CA LEU A 78 -6.322 -8.098 5.346 1.00 3.33 C ATOM 1240 C LEU A 78 -5.273 -7.746 6.396 1.00 24.01 C ATOM 1241 O LEU A 78 -4.505 -6.799 6.227 1.00 71.14 O ATOM 1242 CB LEU A 78 -7.714 -7.712 5.848 1.00 40.44 C ATOM 1243 CG LEU A 78 -7.845 -6.313 6.453 1.00 70.11 C ATOM 1244 CD1 LEU A 78 -7.525 -5.250 5.414 1.00 14.32 C ATOM 1245 CD2 LEU A 78 -9.242 -6.105 7.019 1.00 33.31 C ATOM 0 H LEU A 78 -7.127 -10.034 5.265 1.00 2.44 H new ATOM 0 HA LEU A 78 -6.102 -7.537 4.438 1.00 3.33 H new ATOM 0 HB2 LEU A 78 -8.414 -7.793 5.016 1.00 40.44 H new ATOM 0 HB3 LEU A 78 -8.023 -8.441 6.597 1.00 40.44 H new ATOM 0 HG LEU A 78 -7.127 -6.222 7.268 1.00 70.11 H new ATOM 0 HD11 LEU A 78 -7.623 -4.261 5.863 1.00 14.32 H new ATOM 0 HD12 LEU A 78 -6.504 -5.386 5.057 1.00 14.32 H new ATOM 0 HD13 LEU A 78 -8.217 -5.339 4.577 1.00 14.32 H new ATOM 0 HD21 LEU A 78 -9.317 -5.105 7.445 1.00 33.31 H new ATOM 0 HD22 LEU A 78 -9.978 -6.216 6.222 1.00 33.31 H new ATOM 0 HD23 LEU A 78 -9.434 -6.845 7.796 1.00 33.31 H new ATOM 1257 N PHE A 79 -5.247 -8.516 7.479 1.00 5.51 N ATOM 1258 CA PHE A 79 -4.292 -8.285 8.557 1.00 60.01 C ATOM 1259 C PHE A 79 -2.863 -8.275 8.023 1.00 74.32 C ATOM 1260 O PHE A 79 -2.057 -7.421 8.392 1.00 41.24 O ATOM 1261 CB PHE A 79 -4.438 -9.362 9.634 1.00 45.54 C ATOM 1262 CG PHE A 79 -3.505 -9.177 10.797 1.00 51.01 C ATOM 1263 CD1 PHE A 79 -3.230 -7.910 11.288 1.00 23.10 C ATOM 1264 CD2 PHE A 79 -2.901 -10.269 11.398 1.00 64.44 C ATOM 1265 CE1 PHE A 79 -2.372 -7.737 12.357 1.00 73.14 C ATOM 1266 CE2 PHE A 79 -2.043 -10.102 12.468 1.00 53.31 C ATOM 1267 CZ PHE A 79 -1.776 -8.835 12.947 1.00 44.45 C ATOM 0 H PHE A 79 -5.875 -9.304 7.633 1.00 5.51 H new ATOM 0 HA PHE A 79 -4.505 -7.310 8.996 1.00 60.01 H new ATOM 0 HB2 PHE A 79 -5.465 -9.363 9.999 1.00 45.54 H new ATOM 0 HB3 PHE A 79 -4.258 -10.339 9.186 1.00 45.54 H new ATOM 0 HD1 PHE A 79 -3.692 -7.048 10.829 1.00 23.10 H new ATOM 0 HD2 PHE A 79 -3.103 -11.263 11.026 1.00 64.44 H new ATOM 0 HE1 PHE A 79 -2.167 -6.745 12.731 1.00 73.14 H new ATOM 0 HE2 PHE A 79 -1.581 -10.962 12.930 1.00 53.31 H new ATOM 0 HZ PHE A 79 -1.103 -8.702 13.781 1.00 44.45 H new ATOM 1277 N ASN A 80 -2.555 -9.232 7.154 1.00 41.12 N ATOM 1278 CA ASN A 80 -1.223 -9.335 6.570 1.00 13.45 C ATOM 1279 C ASN A 80 -0.889 -8.090 5.754 1.00 0.54 C ATOM 1280 O ASN A 80 0.184 -7.503 5.904 1.00 33.33 O ATOM 1281 CB ASN A 80 -1.124 -10.579 5.685 1.00 63.44 C ATOM 1282 CG ASN A 80 -0.330 -11.693 6.341 1.00 25.44 C ATOM 1283 OD1 ASN A 80 0.705 -11.450 6.960 1.00 73.24 O ATOM 1284 ND2 ASN A 80 -0.815 -12.922 6.205 1.00 71.05 N ATOM 0 H ASN A 80 -3.210 -9.947 6.839 1.00 41.12 H new ATOM 0 HA ASN A 80 -0.503 -9.419 7.384 1.00 13.45 H new ATOM 0 HB2 ASN A 80 -2.127 -10.938 5.454 1.00 63.44 H new ATOM 0 HB3 ASN A 80 -0.656 -10.312 4.738 1.00 63.44 H new ATOM 0 HD21 ASN A 80 -0.325 -13.713 6.623 1.00 71.05 H new ATOM 0 HD22 ASN A 80 -1.677 -13.075 5.682 1.00 71.05 H new ATOM 1291 N THR A 81 -1.816 -7.690 4.889 1.00 1.41 N ATOM 1292 CA THR A 81 -1.621 -6.515 4.049 1.00 13.44 C ATOM 1293 C THR A 81 -1.326 -5.279 4.890 1.00 53.54 C ATOM 1294 O THR A 81 -0.522 -4.430 4.504 1.00 63.14 O ATOM 1295 CB THR A 81 -2.857 -6.242 3.170 1.00 51.15 C ATOM 1296 OG1 THR A 81 -3.234 -7.432 2.471 1.00 24.25 O ATOM 1297 CG2 THR A 81 -2.575 -5.129 2.171 1.00 43.41 C ATOM 0 H THR A 81 -2.709 -8.163 4.752 1.00 1.41 H new ATOM 0 HA THR A 81 -0.766 -6.725 3.406 1.00 13.44 H new ATOM 0 HB THR A 81 -3.675 -5.928 3.819 1.00 51.15 H new ATOM 0 HG1 THR A 81 -3.676 -8.049 3.091 1.00 24.25 H new ATOM 0 HG21 THR A 81 -3.462 -4.954 1.562 1.00 43.41 H new ATOM 0 HG22 THR A 81 -2.317 -4.216 2.707 1.00 43.41 H new ATOM 0 HG23 THR A 81 -1.744 -5.419 1.528 1.00 43.41 H new ATOM 1305 N VAL A 82 -1.981 -5.184 6.043 1.00 51.22 N ATOM 1306 CA VAL A 82 -1.787 -4.051 6.941 1.00 24.41 C ATOM 1307 C VAL A 82 -0.367 -4.026 7.496 1.00 63.51 C ATOM 1308 O VAL A 82 0.200 -2.959 7.728 1.00 71.10 O ATOM 1309 CB VAL A 82 -2.785 -4.089 8.115 1.00 22.44 C ATOM 1310 CG1 VAL A 82 -2.607 -2.870 9.006 1.00 1.23 C ATOM 1311 CG2 VAL A 82 -4.212 -4.178 7.597 1.00 2.23 C ATOM 0 H VAL A 82 -2.650 -5.877 6.377 1.00 51.22 H new ATOM 0 HA VAL A 82 -1.960 -3.149 6.355 1.00 24.41 H new ATOM 0 HB VAL A 82 -2.584 -4.978 8.713 1.00 22.44 H new ATOM 0 HG11 VAL A 82 -3.320 -2.914 9.829 1.00 1.23 H new ATOM 0 HG12 VAL A 82 -1.593 -2.856 9.405 1.00 1.23 H new ATOM 0 HG13 VAL A 82 -2.781 -1.965 8.424 1.00 1.23 H new ATOM 0 HG21 VAL A 82 -4.904 -4.204 8.439 1.00 2.23 H new ATOM 0 HG22 VAL A 82 -4.429 -3.309 6.976 1.00 2.23 H new ATOM 0 HG23 VAL A 82 -4.328 -5.085 7.004 1.00 2.23 H new ATOM 1321 N CYS A 83 0.200 -5.209 7.706 1.00 22.14 N ATOM 1322 CA CYS A 83 1.555 -5.323 8.234 1.00 32.30 C ATOM 1323 C CYS A 83 2.571 -4.745 7.254 1.00 53.35 C ATOM 1324 O CYS A 83 3.663 -4.334 7.647 1.00 63.20 O ATOM 1325 CB CYS A 83 1.888 -6.787 8.528 1.00 61.12 C ATOM 1326 SG CYS A 83 1.100 -7.438 10.020 1.00 1.33 S ATOM 0 H CYS A 83 -0.257 -6.102 7.519 1.00 22.14 H new ATOM 0 HA CYS A 83 1.607 -4.752 9.161 1.00 32.30 H new ATOM 0 HB2 CYS A 83 1.586 -7.395 7.676 1.00 61.12 H new ATOM 0 HB3 CYS A 83 2.969 -6.890 8.626 1.00 61.12 H new ATOM 0 HG CYS A 83 -0.167 -7.623 9.796 1.00 1.33 H new ATOM 1332 N VAL A 84 2.205 -4.718 5.978 1.00 33.25 N ATOM 1333 CA VAL A 84 3.085 -4.191 4.941 1.00 64.12 C ATOM 1334 C VAL A 84 2.982 -2.672 4.853 1.00 22.22 C ATOM 1335 O VAL A 84 3.963 -1.961 5.065 1.00 52.45 O ATOM 1336 CB VAL A 84 2.755 -4.798 3.564 1.00 15.24 C ATOM 1337 CG1 VAL A 84 3.654 -4.203 2.490 1.00 22.10 C ATOM 1338 CG2 VAL A 84 2.890 -6.312 3.603 1.00 65.22 C ATOM 0 H VAL A 84 1.305 -5.055 5.636 1.00 33.25 H new ATOM 0 HA VAL A 84 4.102 -4.468 5.218 1.00 64.12 H new ATOM 0 HB VAL A 84 1.722 -4.554 3.317 1.00 15.24 H new ATOM 0 HG11 VAL A 84 3.407 -4.643 1.524 1.00 22.10 H new ATOM 0 HG12 VAL A 84 3.504 -3.124 2.446 1.00 22.10 H new ATOM 0 HG13 VAL A 84 4.696 -4.415 2.729 1.00 22.10 H new ATOM 0 HG21 VAL A 84 2.653 -6.724 2.622 1.00 65.22 H new ATOM 0 HG22 VAL A 84 3.912 -6.579 3.872 1.00 65.22 H new ATOM 0 HG23 VAL A 84 2.202 -6.720 4.343 1.00 65.22 H new ATOM 1348 N ILE A 85 1.787 -2.183 4.539 1.00 41.00 N ATOM 1349 CA ILE A 85 1.555 -0.749 4.424 1.00 71.10 C ATOM 1350 C ILE A 85 2.230 0.009 5.562 1.00 45.24 C ATOM 1351 O ILE A 85 2.765 1.101 5.363 1.00 61.14 O ATOM 1352 CB ILE A 85 0.050 -0.420 4.425 1.00 11.15 C ATOM 1353 CG1 ILE A 85 -0.642 -1.099 3.241 1.00 45.21 C ATOM 1354 CG2 ILE A 85 -0.162 1.086 4.376 1.00 44.02 C ATOM 1355 CD1 ILE A 85 -0.372 -0.424 1.914 1.00 61.55 C ATOM 0 H ILE A 85 0.965 -2.759 4.360 1.00 41.00 H new ATOM 0 HA ILE A 85 1.987 -0.434 3.474 1.00 71.10 H new ATOM 0 HB ILE A 85 -0.390 -0.800 5.347 1.00 11.15 H new ATOM 0 HG12 ILE A 85 -0.313 -2.137 3.185 1.00 45.21 H new ATOM 0 HG13 ILE A 85 -1.717 -1.114 3.419 1.00 45.21 H new ATOM 0 HG21 ILE A 85 -1.230 1.303 4.377 1.00 44.02 H new ATOM 0 HG22 ILE A 85 0.303 1.547 5.247 1.00 44.02 H new ATOM 0 HG23 ILE A 85 0.289 1.488 3.469 1.00 44.02 H new ATOM 0 HD11 ILE A 85 -0.894 -0.959 1.121 1.00 61.55 H new ATOM 0 HD12 ILE A 85 -0.726 0.606 1.951 1.00 61.55 H new ATOM 0 HD13 ILE A 85 0.699 -0.432 1.713 1.00 61.55 H new ATOM 1367 N TRP A 86 2.202 -0.576 6.754 1.00 30.23 N ATOM 1368 CA TRP A 86 2.814 0.044 7.924 1.00 45.21 C ATOM 1369 C TRP A 86 4.324 0.162 7.752 1.00 45.30 C ATOM 1370 O TRP A 86 4.897 1.235 7.944 1.00 35.41 O ATOM 1371 CB TRP A 86 2.492 -0.766 9.182 1.00 33.21 C ATOM 1372 CG TRP A 86 3.038 -0.155 10.437 1.00 43.35 C ATOM 1373 CD1 TRP A 86 2.381 0.683 11.293 1.00 13.03 C ATOM 1374 CD2 TRP A 86 4.352 -0.333 10.977 1.00 22.42 C ATOM 1375 NE1 TRP A 86 3.208 1.037 12.331 1.00 55.05 N ATOM 1376 CE2 TRP A 86 4.423 0.426 12.161 1.00 2.12 C ATOM 1377 CE3 TRP A 86 5.474 -1.062 10.576 1.00 75.10 C ATOM 1378 CZ2 TRP A 86 5.573 0.476 12.944 1.00 44.43 C ATOM 1379 CZ3 TRP A 86 6.615 -1.010 11.354 1.00 71.44 C ATOM 1380 CH2 TRP A 86 6.656 -0.246 12.529 1.00 35.42 C ATOM 0 H TRP A 86 1.762 -1.478 6.936 1.00 30.23 H new ATOM 0 HA TRP A 86 2.401 1.047 8.030 1.00 45.21 H new ATOM 0 HB2 TRP A 86 1.410 -0.865 9.275 1.00 33.21 H new ATOM 0 HB3 TRP A 86 2.896 -1.772 9.071 1.00 33.21 H new ATOM 0 HD1 TRP A 86 1.361 1.018 11.171 1.00 13.03 H new ATOM 0 HE1 TRP A 86 2.958 1.655 13.103 1.00 55.05 H new ATOM 0 HE3 TRP A 86 5.450 -1.656 9.674 1.00 75.10 H new ATOM 0 HZ2 TRP A 86 5.608 1.065 13.848 1.00 44.43 H new ATOM 0 HZ3 TRP A 86 7.490 -1.567 11.052 1.00 71.44 H new ATOM 0 HH2 TRP A 86 7.561 -0.228 13.117 1.00 35.42 H new ATOM 1391 N CYS A 87 4.961 -0.945 7.389 1.00 42.03 N ATOM 1392 CA CYS A 87 6.406 -0.966 7.192 1.00 1.45 C ATOM 1393 C CYS A 87 6.846 0.176 6.280 1.00 54.11 C ATOM 1394 O CYS A 87 7.782 0.911 6.598 1.00 3.25 O ATOM 1395 CB CYS A 87 6.842 -2.305 6.597 1.00 11.21 C ATOM 1396 SG CYS A 87 7.108 -3.606 7.824 1.00 61.13 S ATOM 0 H CYS A 87 4.500 -1.840 7.225 1.00 42.03 H new ATOM 0 HA CYS A 87 6.882 -0.837 8.164 1.00 1.45 H new ATOM 0 HB2 CYS A 87 6.085 -2.639 5.887 1.00 11.21 H new ATOM 0 HB3 CYS A 87 7.764 -2.157 6.034 1.00 11.21 H new ATOM 0 HG CYS A 87 7.472 -4.700 7.224 1.00 61.13 H new ATOM 1402 N ILE A 88 6.167 0.316 5.146 1.00 52.15 N ATOM 1403 CA ILE A 88 6.488 1.367 4.189 1.00 4.31 C ATOM 1404 C ILE A 88 6.611 2.722 4.880 1.00 34.32 C ATOM 1405 O ILE A 88 7.424 3.559 4.488 1.00 43.23 O ATOM 1406 CB ILE A 88 5.423 1.465 3.081 1.00 25.43 C ATOM 1407 CG1 ILE A 88 5.317 0.137 2.328 1.00 12.23 C ATOM 1408 CG2 ILE A 88 5.756 2.599 2.123 1.00 34.43 C ATOM 1409 CD1 ILE A 88 4.038 -0.006 1.532 1.00 54.24 C ATOM 0 H ILE A 88 5.391 -0.285 4.868 1.00 52.15 H new ATOM 0 HA ILE A 88 7.445 1.102 3.740 1.00 4.31 H new ATOM 0 HB ILE A 88 4.459 1.678 3.542 1.00 25.43 H new ATOM 0 HG12 ILE A 88 6.168 0.042 1.653 1.00 12.23 H new ATOM 0 HG13 ILE A 88 5.384 -0.683 3.043 1.00 12.23 H new ATOM 0 HG21 ILE A 88 4.994 2.655 1.346 1.00 34.43 H new ATOM 0 HG22 ILE A 88 5.786 3.541 2.671 1.00 34.43 H new ATOM 0 HG23 ILE A 88 6.728 2.415 1.665 1.00 34.43 H new ATOM 0 HD11 ILE A 88 4.031 -0.971 1.025 1.00 54.24 H new ATOM 0 HD12 ILE A 88 3.182 0.057 2.204 1.00 54.24 H new ATOM 0 HD13 ILE A 88 3.978 0.793 0.793 1.00 54.24 H new ATOM 1421 N HIS A 89 5.799 2.929 5.912 1.00 54.33 N ATOM 1422 CA HIS A 89 5.819 4.181 6.661 1.00 41.41 C ATOM 1423 C HIS A 89 6.938 4.176 7.699 1.00 70.20 C ATOM 1424 O HIS A 89 7.499 5.246 7.931 1.00 31.23 O ATOM 1425 CB HIS A 89 4.472 4.409 7.349 1.00 41.30 C ATOM 1426 CG HIS A 89 3.338 4.616 6.392 1.00 33.24 C ATOM 1427 ND1 HIS A 89 3.311 5.637 5.466 1.00 3.31 N ATOM 1428 CD2 HIS A 89 2.189 3.923 6.219 1.00 1.04 C ATOM 1429 CE1 HIS A 89 2.193 5.565 4.767 1.00 12.25 C ATOM 1430 NE2 HIS A 89 1.495 4.532 5.203 1.00 3.10 N ATOM 0 H HIS A 89 5.120 2.247 6.249 1.00 54.33 H new ATOM 0 HA HIS A 89 6.003 4.993 5.958 1.00 41.41 H new ATOM 0 HB2 HIS A 89 4.248 3.552 7.985 1.00 41.30 H new ATOM 0 HB3 HIS A 89 4.549 5.279 8.002 1.00 41.30 H new ATOM 0 HD2 HIS A 89 1.876 3.053 6.776 1.00 1.04 H new ATOM 0 HE1 HIS A 89 1.899 6.237 3.974 1.00 12.25 H new ATOM 0 HE2 HIS A 89 0.588 4.235 4.843 1.00 3.10 H new ATOM 1438 N ALA A 90 7.265 3.040 8.307 1.00 31.44 N ATOM 1439 CA ALA A 90 8.329 2.985 9.303 1.00 4.21 C ATOM 1440 C ALA A 90 9.691 2.803 8.642 1.00 2.34 C ATOM 1441 O ALA A 90 10.690 2.562 9.318 1.00 11.22 O ATOM 1442 CB ALA A 90 8.065 1.862 10.294 1.00 73.41 C ATOM 0 H ALA A 90 6.809 2.146 8.127 1.00 31.44 H new ATOM 0 HA ALA A 90 8.340 3.933 9.840 1.00 4.21 H new ATOM 0 HB1 ALA A 90 8.867 1.832 11.032 1.00 73.41 H new ATOM 0 HB2 ALA A 90 7.114 2.037 10.798 1.00 73.41 H new ATOM 0 HB3 ALA A 90 8.024 0.911 9.764 1.00 73.41 H new ATOM 1448 N GLU A 91 9.722 2.920 7.318 1.00 23.33 N ATOM 1449 CA GLU A 91 10.962 2.765 6.568 1.00 3.34 C ATOM 1450 C GLU A 91 11.445 1.319 6.606 1.00 20.31 C ATOM 1451 O GLU A 91 12.561 1.016 6.186 1.00 14.24 O ATOM 1452 CB GLU A 91 12.042 3.692 7.130 1.00 30.03 C ATOM 1453 CG GLU A 91 12.771 4.494 6.064 1.00 63.42 C ATOM 1454 CD GLU A 91 14.060 5.108 6.576 1.00 70.43 C ATOM 1455 OE1 GLU A 91 15.031 4.353 6.794 1.00 3.03 O ATOM 1456 OE2 GLU A 91 14.097 6.343 6.759 1.00 34.51 O ATOM 0 H GLU A 91 8.903 3.121 6.744 1.00 23.33 H new ATOM 0 HA GLU A 91 10.766 3.035 5.530 1.00 3.34 H new ATOM 0 HB2 GLU A 91 11.584 4.380 7.841 1.00 30.03 H new ATOM 0 HB3 GLU A 91 12.767 3.097 7.684 1.00 30.03 H new ATOM 0 HG2 GLU A 91 12.993 3.846 5.216 1.00 63.42 H new ATOM 0 HG3 GLU A 91 12.116 5.285 5.698 1.00 63.42 H new ATOM 1463 N GLU A 92 10.596 0.430 7.114 1.00 52.43 N ATOM 1464 CA GLU A 92 10.938 -0.983 7.209 1.00 61.42 C ATOM 1465 C GLU A 92 10.991 -1.625 5.825 1.00 44.34 C ATOM 1466 O GLU A 92 9.987 -1.680 5.116 1.00 11.34 O ATOM 1467 CB GLU A 92 9.922 -1.719 8.086 1.00 5.13 C ATOM 1468 CG GLU A 92 10.132 -1.501 9.575 1.00 74.31 C ATOM 1469 CD GLU A 92 11.288 -2.314 10.126 1.00 13.44 C ATOM 1470 OE1 GLU A 92 12.169 -2.708 9.332 1.00 4.43 O ATOM 1471 OE2 GLU A 92 11.314 -2.554 11.351 1.00 22.13 O ATOM 0 H GLU A 92 9.668 0.664 7.465 1.00 52.43 H new ATOM 0 HA GLU A 92 11.925 -1.061 7.665 1.00 61.42 H new ATOM 0 HB2 GLU A 92 8.918 -1.391 7.817 1.00 5.13 H new ATOM 0 HB3 GLU A 92 9.976 -2.787 7.872 1.00 5.13 H new ATOM 0 HG2 GLU A 92 10.315 -0.443 9.761 1.00 74.31 H new ATOM 0 HG3 GLU A 92 9.219 -1.765 10.109 1.00 74.31 H new ATOM 1478 N LYS A 93 12.170 -2.108 5.448 1.00 62.54 N ATOM 1479 CA LYS A 93 12.356 -2.747 4.151 1.00 11.32 C ATOM 1480 C LYS A 93 12.198 -4.260 4.262 1.00 1.42 C ATOM 1481 O LYS A 93 12.839 -4.902 5.094 1.00 44.24 O ATOM 1482 CB LYS A 93 13.737 -2.407 3.586 1.00 52.12 C ATOM 1483 CG LYS A 93 13.913 -0.936 3.255 1.00 2.41 C ATOM 1484 CD LYS A 93 14.900 -0.266 4.197 1.00 22.32 C ATOM 1485 CE LYS A 93 16.235 -0.012 3.516 1.00 54.14 C ATOM 1486 NZ LYS A 93 16.895 1.220 4.031 1.00 2.53 N ATOM 0 H LYS A 93 13.012 -2.069 6.023 1.00 62.54 H new ATOM 0 HA LYS A 93 11.590 -2.369 3.474 1.00 11.32 H new ATOM 0 HB2 LYS A 93 14.498 -2.702 4.308 1.00 52.12 H new ATOM 0 HB3 LYS A 93 13.907 -2.996 2.685 1.00 52.12 H new ATOM 0 HG2 LYS A 93 14.262 -0.833 2.228 1.00 2.41 H new ATOM 0 HG3 LYS A 93 12.949 -0.430 3.317 1.00 2.41 H new ATOM 0 HD2 LYS A 93 14.485 0.678 4.549 1.00 22.32 H new ATOM 0 HD3 LYS A 93 15.052 -0.895 5.074 1.00 22.32 H new ATOM 0 HE2 LYS A 93 16.891 -0.868 3.673 1.00 54.14 H new ATOM 0 HE3 LYS A 93 16.082 0.080 2.441 1.00 54.14 H new ATOM 0 HZ1 LYS A 93 17.802 1.358 3.542 1.00 2.53 H new ATOM 0 HZ2 LYS A 93 16.280 2.041 3.859 1.00 2.53 H new ATOM 0 HZ3 LYS A 93 17.064 1.122 5.053 1.00 2.53 H new ATOM 1500 N VAL A 94 11.343 -4.825 3.415 1.00 32.32 N ATOM 1501 CA VAL A 94 11.103 -6.263 3.416 1.00 35.23 C ATOM 1502 C VAL A 94 11.262 -6.848 2.016 1.00 51.32 C ATOM 1503 O VAL A 94 11.676 -6.156 1.086 1.00 22.21 O ATOM 1504 CB VAL A 94 9.696 -6.598 3.944 1.00 12.32 C ATOM 1505 CG1 VAL A 94 9.510 -6.053 5.352 1.00 1.34 C ATOM 1506 CG2 VAL A 94 8.631 -6.048 3.006 1.00 54.32 C ATOM 0 H VAL A 94 10.805 -4.308 2.719 1.00 32.32 H new ATOM 0 HA VAL A 94 11.846 -6.707 4.079 1.00 35.23 H new ATOM 0 HB VAL A 94 9.590 -7.682 3.983 1.00 12.32 H new ATOM 0 HG11 VAL A 94 8.510 -6.299 5.708 1.00 1.34 H new ATOM 0 HG12 VAL A 94 10.252 -6.498 6.015 1.00 1.34 H new ATOM 0 HG13 VAL A 94 9.635 -4.970 5.343 1.00 1.34 H new ATOM 0 HG21 VAL A 94 7.642 -6.294 3.394 1.00 54.32 H new ATOM 0 HG22 VAL A 94 8.734 -4.965 2.934 1.00 54.32 H new ATOM 0 HG23 VAL A 94 8.753 -6.491 2.017 1.00 54.32 H new ATOM 1516 N LYS A 95 10.930 -8.126 1.874 1.00 60.13 N ATOM 1517 CA LYS A 95 11.033 -8.806 0.588 1.00 42.41 C ATOM 1518 C LYS A 95 9.695 -9.418 0.188 1.00 60.12 C ATOM 1519 O LYS A 95 9.218 -9.215 -0.928 1.00 45.00 O ATOM 1520 CB LYS A 95 12.107 -9.894 0.648 1.00 1.15 C ATOM 1521 CG LYS A 95 11.970 -10.818 1.846 1.00 33.04 C ATOM 1522 CD LYS A 95 13.256 -11.586 2.107 1.00 1.53 C ATOM 1523 CE LYS A 95 13.596 -11.614 3.589 1.00 14.10 C ATOM 1524 NZ LYS A 95 13.049 -12.825 4.261 1.00 34.01 N ATOM 0 H LYS A 95 10.587 -8.713 2.634 1.00 60.13 H new ATOM 0 HA LYS A 95 11.314 -8.068 -0.164 1.00 42.41 H new ATOM 0 HB2 LYS A 95 12.062 -10.488 -0.265 1.00 1.15 H new ATOM 0 HB3 LYS A 95 13.089 -9.422 0.674 1.00 1.15 H new ATOM 0 HG2 LYS A 95 11.708 -10.235 2.729 1.00 33.04 H new ATOM 0 HG3 LYS A 95 11.154 -11.520 1.674 1.00 33.04 H new ATOM 0 HD2 LYS A 95 13.154 -12.606 1.737 1.00 1.53 H new ATOM 0 HD3 LYS A 95 14.075 -11.126 1.553 1.00 1.53 H new ATOM 0 HE2 LYS A 95 14.679 -11.587 3.714 1.00 14.10 H new ATOM 0 HE3 LYS A 95 13.198 -10.721 4.070 1.00 14.10 H new ATOM 0 HZ1 LYS A 95 13.302 -12.807 5.270 1.00 34.01 H new ATOM 0 HZ2 LYS A 95 12.014 -12.838 4.164 1.00 34.01 H new ATOM 0 HZ3 LYS A 95 13.449 -13.678 3.819 1.00 34.01 H new ATOM 1538 N ASP A 96 9.095 -10.167 1.106 1.00 64.43 N ATOM 1539 CA ASP A 96 7.809 -10.808 0.849 1.00 73.31 C ATOM 1540 C ASP A 96 6.833 -10.545 1.992 1.00 73.44 C ATOM 1541 O ASP A 96 7.240 -10.215 3.107 1.00 0.42 O ATOM 1542 CB ASP A 96 7.995 -12.314 0.657 1.00 40.22 C ATOM 1543 CG ASP A 96 8.821 -12.941 1.763 1.00 10.21 C ATOM 1544 OD1 ASP A 96 9.008 -12.285 2.809 1.00 72.35 O ATOM 1545 OD2 ASP A 96 9.281 -14.088 1.583 1.00 2.15 O ATOM 0 H ASP A 96 9.477 -10.346 2.035 1.00 64.43 H new ATOM 0 HA ASP A 96 7.394 -10.382 -0.064 1.00 73.31 H new ATOM 0 HB2 ASP A 96 7.018 -12.796 0.619 1.00 40.22 H new ATOM 0 HB3 ASP A 96 8.478 -12.498 -0.302 1.00 40.22 H new ATOM 1550 N THR A 97 5.543 -10.693 1.708 1.00 12.32 N ATOM 1551 CA THR A 97 4.509 -10.469 2.710 1.00 20.02 C ATOM 1552 C THR A 97 4.839 -11.191 4.011 1.00 54.01 C ATOM 1553 O THR A 97 4.769 -10.605 5.091 1.00 1.00 O ATOM 1554 CB THR A 97 3.131 -10.942 2.210 1.00 32.01 C ATOM 1555 OG1 THR A 97 2.741 -10.184 1.060 1.00 31.14 O ATOM 1556 CG2 THR A 97 2.081 -10.795 3.301 1.00 25.31 C ATOM 0 H THR A 97 5.189 -10.967 0.791 1.00 12.32 H new ATOM 0 HA THR A 97 4.473 -9.395 2.892 1.00 20.02 H new ATOM 0 HB THR A 97 3.208 -11.995 1.941 1.00 32.01 H new ATOM 0 HG1 THR A 97 2.219 -10.752 0.456 1.00 31.14 H new ATOM 0 HG21 THR A 97 1.116 -11.135 2.925 1.00 25.31 H new ATOM 0 HG22 THR A 97 2.367 -11.396 4.164 1.00 25.31 H new ATOM 0 HG23 THR A 97 2.007 -9.748 3.596 1.00 25.31 H new ATOM 1564 N GLU A 98 5.202 -12.466 3.900 1.00 43.54 N ATOM 1565 CA GLU A 98 5.544 -13.265 5.071 1.00 64.52 C ATOM 1566 C GLU A 98 6.722 -12.654 5.823 1.00 44.41 C ATOM 1567 O GLU A 98 6.826 -12.779 7.042 1.00 61.35 O ATOM 1568 CB GLU A 98 5.879 -14.700 4.655 1.00 12.21 C ATOM 1569 CG GLU A 98 4.689 -15.643 4.710 1.00 4.34 C ATOM 1570 CD GLU A 98 3.429 -15.027 4.133 1.00 14.11 C ATOM 1571 OE1 GLU A 98 2.788 -14.219 4.837 1.00 15.23 O ATOM 1572 OE2 GLU A 98 3.084 -15.354 2.978 1.00 44.04 O ATOM 0 H GLU A 98 5.267 -12.966 3.013 1.00 43.54 H new ATOM 0 HA GLU A 98 4.680 -13.278 5.735 1.00 64.52 H new ATOM 0 HB2 GLU A 98 6.279 -14.691 3.641 1.00 12.21 H new ATOM 0 HB3 GLU A 98 6.666 -15.083 5.304 1.00 12.21 H new ATOM 0 HG2 GLU A 98 4.927 -16.555 4.162 1.00 4.34 H new ATOM 0 HG3 GLU A 98 4.507 -15.932 5.745 1.00 4.34 H new ATOM 1579 N GLY A 99 7.608 -11.992 5.085 1.00 61.25 N ATOM 1580 CA GLY A 99 8.768 -11.371 5.699 1.00 60.42 C ATOM 1581 C GLY A 99 8.415 -10.108 6.460 1.00 61.41 C ATOM 1582 O GLY A 99 8.978 -9.838 7.520 1.00 51.42 O ATOM 0 H GLY A 99 7.544 -11.875 4.074 1.00 61.25 H new ATOM 0 HA2 GLY A 99 9.239 -12.081 6.378 1.00 60.42 H new ATOM 0 HA3 GLY A 99 9.500 -11.134 4.927 1.00 60.42 H new ATOM 1586 N ALA A 100 7.483 -9.334 5.917 1.00 44.02 N ATOM 1587 CA ALA A 100 7.055 -8.093 6.552 1.00 73.12 C ATOM 1588 C ALA A 100 6.281 -8.371 7.836 1.00 53.02 C ATOM 1589 O ALA A 100 6.356 -7.605 8.797 1.00 23.20 O ATOM 1590 CB ALA A 100 6.209 -7.273 5.590 1.00 44.50 C ATOM 0 H ALA A 100 7.009 -9.544 5.038 1.00 44.02 H new ATOM 0 HA ALA A 100 7.946 -7.522 6.813 1.00 73.12 H new ATOM 0 HB1 ALA A 100 5.896 -6.349 6.077 1.00 44.50 H new ATOM 0 HB2 ALA A 100 6.795 -7.035 4.702 1.00 44.50 H new ATOM 0 HB3 ALA A 100 5.328 -7.846 5.300 1.00 44.50 H new ATOM 1596 N LYS A 101 5.537 -9.472 7.845 1.00 43.22 N ATOM 1597 CA LYS A 101 4.748 -9.853 9.012 1.00 3.44 C ATOM 1598 C LYS A 101 5.653 -10.251 10.173 1.00 63.41 C ATOM 1599 O LYS A 101 5.261 -10.156 11.336 1.00 74.31 O ATOM 1600 CB LYS A 101 3.809 -11.010 8.662 1.00 41.15 C ATOM 1601 CG LYS A 101 2.494 -10.976 9.421 1.00 0.12 C ATOM 1602 CD LYS A 101 2.042 -12.371 9.816 1.00 22.34 C ATOM 1603 CE LYS A 101 2.472 -12.717 11.232 1.00 75.32 C ATOM 1604 NZ LYS A 101 2.972 -14.116 11.335 1.00 21.32 N ATOM 0 H LYS A 101 5.464 -10.116 7.058 1.00 43.22 H new ATOM 0 HA LYS A 101 4.154 -8.991 9.316 1.00 3.44 H new ATOM 0 HB2 LYS A 101 3.602 -10.988 7.592 1.00 41.15 H new ATOM 0 HB3 LYS A 101 4.315 -11.953 8.870 1.00 41.15 H new ATOM 0 HG2 LYS A 101 2.604 -10.362 10.315 1.00 0.12 H new ATOM 0 HG3 LYS A 101 1.729 -10.506 8.804 1.00 0.12 H new ATOM 0 HD2 LYS A 101 0.957 -12.439 9.738 1.00 22.34 H new ATOM 0 HD3 LYS A 101 2.458 -13.100 9.120 1.00 22.34 H new ATOM 0 HE2 LYS A 101 3.253 -12.028 11.553 1.00 75.32 H new ATOM 0 HE3 LYS A 101 1.630 -12.582 11.910 1.00 75.32 H new ATOM 0 HZ1 LYS A 101 3.255 -14.312 12.316 1.00 21.32 H new ATOM 0 HZ2 LYS A 101 2.219 -14.775 11.054 1.00 21.32 H new ATOM 0 HZ3 LYS A 101 3.792 -14.239 10.707 1.00 21.32 H new ATOM 1618 N GLN A 102 6.863 -10.695 9.849 1.00 71.34 N ATOM 1619 CA GLN A 102 7.822 -11.107 10.868 1.00 55.53 C ATOM 1620 C GLN A 102 8.444 -9.893 11.552 1.00 21.34 C ATOM 1621 O GLN A 102 8.794 -9.946 12.732 1.00 20.00 O ATOM 1622 CB GLN A 102 8.918 -11.974 10.245 1.00 12.43 C ATOM 1623 CG GLN A 102 8.765 -13.456 10.544 1.00 11.30 C ATOM 1624 CD GLN A 102 9.399 -14.334 9.482 1.00 52.45 C ATOM 1625 OE1 GLN A 102 10.515 -14.074 9.032 1.00 0.54 O ATOM 1626 NE2 GLN A 102 8.690 -15.381 9.078 1.00 53.24 N ATOM 0 H GLN A 102 7.202 -10.779 8.891 1.00 71.34 H new ATOM 0 HA GLN A 102 7.289 -11.691 11.619 1.00 55.53 H new ATOM 0 HB2 GLN A 102 8.915 -11.828 9.165 1.00 12.43 H new ATOM 0 HB3 GLN A 102 9.888 -11.637 10.610 1.00 12.43 H new ATOM 0 HG2 GLN A 102 9.218 -13.677 11.510 1.00 11.30 H new ATOM 0 HG3 GLN A 102 7.706 -13.699 10.626 1.00 11.30 H new ATOM 0 HE21 GLN A 102 7.769 -15.558 9.479 1.00 53.24 H new ATOM 0 HE22 GLN A 102 9.066 -16.008 8.367 1.00 53.24 H new ATOM 1635 N ILE A 103 8.578 -8.803 10.805 1.00 34.00 N ATOM 1636 CA ILE A 103 9.157 -7.578 11.340 1.00 51.53 C ATOM 1637 C ILE A 103 8.137 -6.805 12.170 1.00 73.12 C ATOM 1638 O ILE A 103 8.466 -6.252 13.220 1.00 61.11 O ATOM 1639 CB ILE A 103 9.684 -6.667 10.216 1.00 14.52 C ATOM 1640 CG1 ILE A 103 10.743 -7.400 9.390 1.00 1.34 C ATOM 1641 CG2 ILE A 103 10.256 -5.382 10.800 1.00 25.44 C ATOM 1642 CD1 ILE A 103 11.188 -6.634 8.163 1.00 3.03 C ATOM 0 H ILE A 103 8.293 -8.743 9.827 1.00 34.00 H new ATOM 0 HA ILE A 103 9.990 -7.874 11.977 1.00 51.53 H new ATOM 0 HB ILE A 103 8.854 -6.407 9.559 1.00 14.52 H new ATOM 0 HG12 ILE A 103 11.611 -7.598 10.019 1.00 1.34 H new ATOM 0 HG13 ILE A 103 10.346 -8.367 9.081 1.00 1.34 H new ATOM 0 HG21 ILE A 103 10.625 -4.748 9.993 1.00 25.44 H new ATOM 0 HG22 ILE A 103 9.477 -4.854 11.349 1.00 25.44 H new ATOM 0 HG23 ILE A 103 11.077 -5.623 11.476 1.00 25.44 H new ATOM 0 HD11 ILE A 103 11.939 -7.213 7.625 1.00 3.03 H new ATOM 0 HD12 ILE A 103 10.331 -6.459 7.513 1.00 3.03 H new ATOM 0 HD13 ILE A 103 11.615 -5.678 8.466 1.00 3.03 H new ATOM 1654 N VAL A 104 6.897 -6.771 11.692 1.00 74.24 N ATOM 1655 CA VAL A 104 5.828 -6.070 12.391 1.00 41.51 C ATOM 1656 C VAL A 104 5.434 -6.800 13.670 1.00 1.12 C ATOM 1657 O VAL A 104 5.318 -6.192 14.734 1.00 4.32 O ATOM 1658 CB VAL A 104 4.582 -5.913 11.499 1.00 14.23 C ATOM 1659 CG1 VAL A 104 3.464 -5.215 12.258 1.00 62.54 C ATOM 1660 CG2 VAL A 104 4.930 -5.151 10.229 1.00 34.12 C ATOM 0 H VAL A 104 6.609 -7.221 10.823 1.00 74.24 H new ATOM 0 HA VAL A 104 6.212 -5.082 12.644 1.00 41.51 H new ATOM 0 HB VAL A 104 4.232 -6.906 11.217 1.00 14.23 H new ATOM 0 HG11 VAL A 104 2.593 -5.114 11.611 1.00 62.54 H new ATOM 0 HG12 VAL A 104 3.197 -5.804 13.136 1.00 62.54 H new ATOM 0 HG13 VAL A 104 3.799 -4.227 12.572 1.00 62.54 H new ATOM 0 HG21 VAL A 104 4.039 -5.049 9.610 1.00 34.12 H new ATOM 0 HG22 VAL A 104 5.306 -4.162 10.490 1.00 34.12 H new ATOM 0 HG23 VAL A 104 5.695 -5.696 9.676 1.00 34.12 H new ATOM 1670 N ARG A 105 5.231 -8.109 13.558 1.00 64.11 N ATOM 1671 CA ARG A 105 4.849 -8.923 14.705 1.00 51.05 C ATOM 1672 C ARG A 105 5.808 -8.702 15.872 1.00 63.33 C ATOM 1673 O ARG A 105 5.381 -8.457 17.001 1.00 34.31 O ATOM 1674 CB ARG A 105 4.829 -10.404 14.322 1.00 63.24 C ATOM 1675 CG ARG A 105 4.440 -11.324 15.469 1.00 32.13 C ATOM 1676 CD ARG A 105 4.135 -12.730 14.975 1.00 72.52 C ATOM 1677 NE ARG A 105 3.016 -13.332 15.695 1.00 3.14 N ATOM 1678 CZ ARG A 105 3.116 -13.837 16.919 1.00 24.33 C ATOM 1679 NH1 ARG A 105 4.278 -13.814 17.556 1.00 45.21 N ATOM 1680 NH2 ARG A 105 2.052 -14.368 17.507 1.00 24.21 N ATOM 0 H ARG A 105 5.325 -8.628 12.685 1.00 64.11 H new ATOM 0 HA ARG A 105 3.849 -8.621 15.016 1.00 51.05 H new ATOM 0 HB2 ARG A 105 4.130 -10.548 13.498 1.00 63.24 H new ATOM 0 HB3 ARG A 105 5.815 -10.690 13.957 1.00 63.24 H new ATOM 0 HG2 ARG A 105 5.249 -11.361 16.198 1.00 32.13 H new ATOM 0 HG3 ARG A 105 3.567 -10.920 15.982 1.00 32.13 H new ATOM 0 HD2 ARG A 105 3.906 -12.698 13.910 1.00 72.52 H new ATOM 0 HD3 ARG A 105 5.020 -13.355 15.092 1.00 72.52 H new ATOM 0 HE ARG A 105 2.108 -13.366 15.232 1.00 3.14 H new ATOM 0 HH11 ARG A 105 5.098 -13.408 17.106 1.00 45.21 H new ATOM 0 HH12 ARG A 105 4.352 -14.203 18.496 1.00 45.21 H new ATOM 0 HH21 ARG A 105 1.157 -14.388 17.019 1.00 24.21 H new ATOM 0 HH22 ARG A 105 2.129 -14.756 18.447 1.00 24.21 H new ATOM 1694 N ARG A 106 7.104 -8.790 15.591 1.00 62.24 N ATOM 1695 CA ARG A 106 8.123 -8.601 16.617 1.00 2.44 C ATOM 1696 C ARG A 106 7.910 -7.284 17.357 1.00 74.23 C ATOM 1697 O ARG A 106 8.046 -7.218 18.580 1.00 72.03 O ATOM 1698 CB ARG A 106 9.518 -8.627 15.991 1.00 61.23 C ATOM 1699 CG ARG A 106 10.642 -8.686 17.012 1.00 53.12 C ATOM 1700 CD ARG A 106 11.728 -9.664 16.589 1.00 55.31 C ATOM 1701 NE ARG A 106 11.529 -10.988 17.171 1.00 60.11 N ATOM 1702 CZ ARG A 106 12.441 -11.953 17.132 1.00 62.00 C ATOM 1703 NH1 ARG A 106 13.610 -11.741 16.543 1.00 71.35 N ATOM 1704 NH2 ARG A 106 12.185 -13.132 17.684 1.00 1.31 N ATOM 0 H ARG A 106 7.473 -8.991 14.662 1.00 62.24 H new ATOM 0 HA ARG A 106 8.039 -9.418 17.333 1.00 2.44 H new ATOM 0 HB2 ARG A 106 9.594 -9.490 15.329 1.00 61.23 H new ATOM 0 HB3 ARG A 106 9.646 -7.739 15.373 1.00 61.23 H new ATOM 0 HG2 ARG A 106 11.074 -7.693 17.137 1.00 53.12 H new ATOM 0 HG3 ARG A 106 10.240 -8.983 17.981 1.00 53.12 H new ATOM 0 HD2 ARG A 106 11.740 -9.744 15.502 1.00 55.31 H new ATOM 0 HD3 ARG A 106 12.701 -9.278 16.891 1.00 55.31 H new ATOM 0 HE ARG A 106 10.641 -11.183 17.633 1.00 60.11 H new ATOM 0 HH11 ARG A 106 13.810 -10.835 16.119 1.00 71.35 H new ATOM 0 HH12 ARG A 106 14.309 -12.484 16.514 1.00 71.35 H new ATOM 0 HH21 ARG A 106 11.287 -13.298 18.139 1.00 1.31 H new ATOM 0 HH22 ARG A 106 12.886 -13.872 17.654 1.00 1.31 H new ATOM 1718 N HIS A 107 7.577 -6.237 16.610 1.00 35.24 N ATOM 1719 CA HIS A 107 7.346 -4.920 17.195 1.00 34.35 C ATOM 1720 C HIS A 107 6.079 -4.920 18.044 1.00 45.41 C ATOM 1721 O HIS A 107 6.159 -4.454 19.182 1.00 50.13 O ATOM 1722 CB HIS A 107 7.237 -3.862 16.097 1.00 35.33 C ATOM 1723 CG HIS A 107 8.546 -3.544 15.440 1.00 62.00 C ATOM 1724 ND1 HIS A 107 9.710 -3.327 16.147 1.00 63.11 N ATOM 1725 CD2 HIS A 107 8.872 -3.408 14.134 1.00 24.53 C ATOM 1726 CE1 HIS A 107 10.694 -3.070 15.304 1.00 2.12 C ATOM 1727 NE2 HIS A 107 10.211 -3.115 14.075 1.00 12.53 N ATOM 0 H HIS A 107 7.461 -6.274 15.597 1.00 35.24 H new ATOM 0 HA HIS A 107 8.194 -4.680 17.836 1.00 34.35 H new ATOM 0 HB2 HIS A 107 6.534 -4.208 15.339 1.00 35.33 H new ATOM 0 HB3 HIS A 107 6.822 -2.949 16.524 1.00 35.33 H new ATOM 0 HD2 HIS A 107 8.202 -3.511 13.293 1.00 24.53 H new ATOM 0 HE1 HIS A 107 11.718 -2.859 15.573 1.00 2.12 H new ATOM 0 HE2 HIS A 107 10.747 -2.958 13.221 1.00 12.53 H new ATOM 1735 N LEU A 108 4.951 -5.411 17.543 1.00 63.21 N ATOM 1736 CA LEU A 108 3.715 -5.432 18.317 1.00 5.31 C ATOM 1737 C LEU A 108 3.914 -6.159 19.642 1.00 64.34 C ATOM 1738 O LEU A 108 3.414 -5.726 20.681 1.00 71.10 O ATOM 1739 CB LEU A 108 2.599 -6.106 17.516 1.00 13.42 C ATOM 1740 CG LEU A 108 2.050 -5.310 16.330 1.00 70.21 C ATOM 1741 CD1 LEU A 108 1.141 -6.182 15.478 1.00 62.21 C ATOM 1742 CD2 LEU A 108 1.306 -4.075 16.815 1.00 64.51 C ATOM 0 H LEU A 108 4.867 -5.800 16.604 1.00 63.21 H new ATOM 0 HA LEU A 108 3.431 -4.401 18.528 1.00 5.31 H new ATOM 0 HB2 LEU A 108 2.971 -7.062 17.146 1.00 13.42 H new ATOM 0 HB3 LEU A 108 1.774 -6.326 18.194 1.00 13.42 H new ATOM 0 HG LEU A 108 2.889 -4.985 15.715 1.00 70.21 H new ATOM 0 HD11 LEU A 108 0.760 -5.600 14.639 1.00 62.21 H new ATOM 0 HD12 LEU A 108 1.705 -7.035 15.101 1.00 62.21 H new ATOM 0 HD13 LEU A 108 0.306 -6.537 16.082 1.00 62.21 H new ATOM 0 HD21 LEU A 108 0.923 -3.521 15.958 1.00 64.51 H new ATOM 0 HD22 LEU A 108 0.475 -4.378 17.453 1.00 64.51 H new ATOM 0 HD23 LEU A 108 1.986 -3.440 17.382 1.00 64.51 H new