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 30:sc= -0.444 USER MOD Set 1.2: A 97 THR OG1 : rot -106:sc= 0.693 USER MOD Set 2.1: A 72 SER OG : rot 180:sc= -0.102 USER MOD Set 2.2: A 74 ASN : amide:sc= -0.196 X(o=-0.3,f=-0.027) 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+ -145:sc= 0.684 (180deg=-0.516) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-9.6!) USER MOD Single : A 39 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.1) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -45:sc= 0.0275 USER MOD Single : A 53 SER OG : rot 180:sc= 0.603 USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= -0.0819 (180deg=-0.527) USER MOD Single : A 57 CYS SG : rot 110:sc= -0.164 USER MOD Single : A 58 GLN : amide:sc= 0.87 K(o=0.87,f=-2.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 90:sc= 0.438 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.35 K(o=-1.3,f=-7.9!) USER MOD Single : A 81 THR OG1 : rot 74:sc= 1.18 USER MOD Single : A 83 CYS SG : rot -69:sc= 1.11 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= -0.336 X(o=-0.34,f=-0.64) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0516) 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) USER MOD Single : A 107 HIS : no HD1:sc= -0.855 K(o=-0.86,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 3.613 7.265 -3.706 1.00 31.33 N ATOM 103 CA ARG A 9 4.750 8.162 -3.867 1.00 62.22 C ATOM 104 C ARG A 9 5.656 7.692 -5.002 1.00 33.14 C ATOM 105 O ARG A 9 5.313 6.772 -5.743 1.00 51.12 O ATOM 106 CB ARG A 9 5.548 8.248 -2.565 1.00 62.43 C ATOM 107 CG ARG A 9 5.676 9.662 -2.022 1.00 60.21 C ATOM 108 CD ARG A 9 5.012 9.797 -0.661 1.00 31.00 C ATOM 109 NE ARG A 9 5.590 10.884 0.125 1.00 15.32 N ATOM 110 CZ ARG A 9 5.232 11.159 1.375 1.00 70.54 C ATOM 111 NH1 ARG A 9 4.304 10.429 1.978 1.00 60.02 N ATOM 112 NH2 ARG A 9 5.804 12.164 2.024 1.00 4.32 N ATOM 0 HA ARG A 9 4.368 9.152 -4.116 1.00 62.22 H new ATOM 0 HB2 ARG A 9 5.069 7.621 -1.813 1.00 62.43 H new ATOM 0 HB3 ARG A 9 6.545 7.840 -2.732 1.00 62.43 H new ATOM 0 HG2 ARG A 9 6.730 9.928 -1.942 1.00 60.21 H new ATOM 0 HG3 ARG A 9 5.222 10.364 -2.721 1.00 60.21 H new ATOM 0 HD2 ARG A 9 3.945 9.974 -0.794 1.00 31.00 H new ATOM 0 HD3 ARG A 9 5.114 8.860 -0.114 1.00 31.00 H new ATOM 0 HE ARG A 9 6.308 11.464 -0.309 1.00 15.32 H new ATOM 0 HH11 ARG A 9 3.863 9.654 1.483 1.00 60.02 H new ATOM 0 HH12 ARG A 9 4.031 10.642 2.937 1.00 60.02 H new ATOM 0 HH21 ARG A 9 6.519 12.727 1.564 1.00 4.32 H new ATOM 0 HH22 ARG A 9 5.528 12.374 2.983 1.00 4.32 H new ATOM 126 N GLY A 10 6.815 8.332 -5.131 1.00 71.42 N ATOM 127 CA GLY A 10 7.751 7.965 -6.178 1.00 3.23 C ATOM 128 C GLY A 10 8.671 6.835 -5.762 1.00 43.33 C ATOM 129 O GLY A 10 8.531 5.705 -6.231 1.00 53.15 O ATOM 0 H GLY A 10 7.122 9.097 -4.530 1.00 71.42 H new ATOM 0 HA2 GLY A 10 7.197 7.669 -7.069 1.00 3.23 H new ATOM 0 HA3 GLY A 10 8.349 8.835 -6.448 1.00 3.23 H new ATOM 133 N LYS A 11 9.618 7.138 -4.882 1.00 21.15 N ATOM 134 CA LYS A 11 10.567 6.140 -4.402 1.00 70.10 C ATOM 135 C LYS A 11 9.856 5.057 -3.596 1.00 22.24 C ATOM 136 O LYS A 11 10.286 3.904 -3.572 1.00 71.23 O ATOM 137 CB LYS A 11 11.647 6.802 -3.546 1.00 2.44 C ATOM 138 CG LYS A 11 12.986 6.087 -3.595 1.00 64.03 C ATOM 139 CD LYS A 11 14.018 6.888 -4.371 1.00 42.41 C ATOM 140 CE LYS A 11 14.927 7.678 -3.441 1.00 33.11 C ATOM 141 NZ LYS A 11 14.752 9.147 -3.609 1.00 61.22 N ATOM 0 H LYS A 11 9.749 8.069 -4.486 1.00 21.15 H new ATOM 0 HA LYS A 11 11.036 5.674 -5.269 1.00 70.10 H new ATOM 0 HB2 LYS A 11 11.782 7.831 -3.879 1.00 2.44 H new ATOM 0 HB3 LYS A 11 11.304 6.843 -2.512 1.00 2.44 H new ATOM 0 HG2 LYS A 11 13.345 5.915 -2.580 1.00 64.03 H new ATOM 0 HG3 LYS A 11 12.860 5.108 -4.058 1.00 64.03 H new ATOM 0 HD2 LYS A 11 14.618 6.214 -4.982 1.00 42.41 H new ATOM 0 HD3 LYS A 11 13.512 7.571 -5.053 1.00 42.41 H new ATOM 0 HE2 LYS A 11 14.716 7.403 -2.408 1.00 33.11 H new ATOM 0 HE3 LYS A 11 15.966 7.412 -3.636 1.00 33.11 H new ATOM 0 HZ1 LYS A 11 15.389 9.649 -2.958 1.00 61.22 H new ATOM 0 HZ2 LYS A 11 14.978 9.414 -4.589 1.00 61.22 H new ATOM 0 HZ3 LYS A 11 13.767 9.406 -3.398 1.00 61.22 H new ATOM 155 N LYS A 12 8.767 5.436 -2.937 1.00 72.13 N ATOM 156 CA LYS A 12 7.994 4.498 -2.131 1.00 43.23 C ATOM 157 C LYS A 12 7.289 3.474 -3.016 1.00 14.22 C ATOM 158 O LYS A 12 7.229 2.291 -2.685 1.00 21.30 O ATOM 159 CB LYS A 12 6.966 5.249 -1.282 1.00 72.45 C ATOM 160 CG LYS A 12 7.580 6.292 -0.366 1.00 4.31 C ATOM 161 CD LYS A 12 8.542 5.665 0.629 1.00 10.13 C ATOM 162 CE LYS A 12 9.954 6.203 0.456 1.00 63.33 C ATOM 163 NZ LYS A 12 10.971 5.295 1.054 1.00 63.14 N ATOM 0 H LYS A 12 8.399 6.387 -2.945 1.00 72.13 H new ATOM 0 HA LYS A 12 8.683 3.970 -1.472 1.00 43.23 H new ATOM 0 HB2 LYS A 12 6.248 5.735 -1.942 1.00 72.45 H new ATOM 0 HB3 LYS A 12 6.410 4.531 -0.680 1.00 72.45 H new ATOM 0 HG2 LYS A 12 8.107 7.036 -0.963 1.00 4.31 H new ATOM 0 HG3 LYS A 12 6.790 6.816 0.172 1.00 4.31 H new ATOM 0 HD2 LYS A 12 8.198 5.864 1.644 1.00 10.13 H new ATOM 0 HD3 LYS A 12 8.546 4.583 0.500 1.00 10.13 H new ATOM 0 HE2 LYS A 12 10.165 6.335 -0.605 1.00 63.33 H new ATOM 0 HE3 LYS A 12 10.027 7.186 0.921 1.00 63.33 H new ATOM 0 HZ1 LYS A 12 11.920 5.697 0.915 1.00 63.14 H new ATOM 0 HZ2 LYS A 12 10.786 5.189 2.072 1.00 63.14 H new ATOM 0 HZ3 LYS A 12 10.919 4.364 0.593 1.00 63.14 H new ATOM 177 N ALA A 13 6.756 3.938 -4.141 1.00 53.03 N ATOM 178 CA ALA A 13 6.058 3.062 -5.075 1.00 33.05 C ATOM 179 C ALA A 13 6.934 1.882 -5.479 1.00 23.41 C ATOM 180 O ALA A 13 6.457 0.753 -5.596 1.00 13.55 O ATOM 181 CB ALA A 13 5.619 3.843 -6.304 1.00 42.22 C ATOM 0 H ALA A 13 6.794 4.916 -4.428 1.00 53.03 H new ATOM 0 HA ALA A 13 5.173 2.669 -4.574 1.00 33.05 H new ATOM 0 HB1 ALA A 13 5.099 3.176 -6.992 1.00 42.22 H new ATOM 0 HB2 ALA A 13 4.949 4.648 -6.003 1.00 42.22 H new ATOM 0 HB3 ALA A 13 6.494 4.265 -6.799 1.00 42.22 H new ATOM 187 N ASP A 14 8.217 2.150 -5.694 1.00 3.03 N ATOM 188 CA ASP A 14 9.160 1.109 -6.086 1.00 4.14 C ATOM 189 C ASP A 14 9.234 0.015 -5.025 1.00 62.15 C ATOM 190 O ASP A 14 8.917 -1.143 -5.293 1.00 45.02 O ATOM 191 CB ASP A 14 10.549 1.710 -6.314 1.00 71.33 C ATOM 192 CG ASP A 14 11.269 1.073 -7.487 1.00 53.50 C ATOM 193 OD1 ASP A 14 11.095 1.560 -8.624 1.00 64.14 O ATOM 194 OD2 ASP A 14 12.005 0.089 -7.267 1.00 44.35 O ATOM 0 H ASP A 14 8.628 3.079 -5.604 1.00 3.03 H new ATOM 0 HA ASP A 14 8.807 0.664 -7.016 1.00 4.14 H new ATOM 0 HB2 ASP A 14 10.454 2.782 -6.488 1.00 71.33 H new ATOM 0 HB3 ASP A 14 11.148 1.585 -5.412 1.00 71.33 H new ATOM 199 N GLU A 15 9.656 0.392 -3.822 1.00 63.01 N ATOM 200 CA GLU A 15 9.774 -0.559 -2.722 1.00 71.12 C ATOM 201 C GLU A 15 8.455 -1.294 -2.495 1.00 42.34 C ATOM 202 O GLU A 15 8.442 -2.465 -2.116 1.00 32.51 O ATOM 203 CB GLU A 15 10.197 0.160 -1.440 1.00 20.03 C ATOM 204 CG GLU A 15 11.560 -0.268 -0.924 1.00 2.23 C ATOM 205 CD GLU A 15 12.691 0.155 -1.841 1.00 70.44 C ATOM 206 OE1 GLU A 15 12.621 1.273 -2.392 1.00 12.02 O ATOM 207 OE2 GLU A 15 13.645 -0.633 -2.009 1.00 32.21 O ATOM 0 H GLU A 15 9.922 1.348 -3.584 1.00 63.01 H new ATOM 0 HA GLU A 15 10.537 -1.291 -2.988 1.00 71.12 H new ATOM 0 HB2 GLU A 15 10.208 1.235 -1.623 1.00 20.03 H new ATOM 0 HB3 GLU A 15 9.451 -0.024 -0.667 1.00 20.03 H new ATOM 0 HG2 GLU A 15 11.720 0.160 0.066 1.00 2.23 H new ATOM 0 HG3 GLU A 15 11.577 -1.352 -0.809 1.00 2.23 H new ATOM 214 N LEU A 16 7.349 -0.597 -2.731 1.00 33.12 N ATOM 215 CA LEU A 16 6.025 -1.181 -2.552 1.00 33.42 C ATOM 216 C LEU A 16 5.748 -2.239 -3.615 1.00 60.30 C ATOM 217 O LEU A 16 5.323 -3.351 -3.301 1.00 41.34 O ATOM 218 CB LEU A 16 4.952 -0.091 -2.610 1.00 20.34 C ATOM 219 CG LEU A 16 3.534 -0.524 -2.234 1.00 4.24 C ATOM 220 CD1 LEU A 16 2.876 -1.258 -3.392 1.00 22.15 C ATOM 221 CD2 LEU A 16 3.556 -1.398 -0.988 1.00 63.44 C ATOM 0 H LEU A 16 7.343 0.373 -3.047 1.00 33.12 H new ATOM 0 HA LEU A 16 5.996 -1.659 -1.573 1.00 33.42 H new ATOM 0 HB2 LEU A 16 5.251 0.720 -1.946 1.00 20.34 H new ATOM 0 HB3 LEU A 16 4.930 0.316 -3.621 1.00 20.34 H new ATOM 0 HG LEU A 16 2.947 0.368 -2.016 1.00 4.24 H new ATOM 0 HD11 LEU A 16 1.868 -1.559 -3.106 1.00 22.15 H new ATOM 0 HD12 LEU A 16 2.826 -0.599 -4.259 1.00 22.15 H new ATOM 0 HD13 LEU A 16 3.461 -2.143 -3.642 1.00 22.15 H new ATOM 0 HD21 LEU A 16 2.539 -1.697 -0.735 1.00 63.44 H new ATOM 0 HD22 LEU A 16 4.159 -2.286 -1.177 1.00 63.44 H new ATOM 0 HD23 LEU A 16 3.986 -0.838 -0.158 1.00 63.44 H new ATOM 233 N GLU A 17 5.993 -1.886 -4.873 1.00 11.34 N ATOM 234 CA GLU A 17 5.772 -2.805 -5.982 1.00 20.34 C ATOM 235 C GLU A 17 6.895 -3.836 -6.067 1.00 12.53 C ATOM 236 O GLU A 17 6.848 -4.754 -6.885 1.00 43.15 O ATOM 237 CB GLU A 17 5.670 -2.036 -7.300 1.00 33.03 C ATOM 238 CG GLU A 17 4.303 -1.413 -7.537 1.00 64.52 C ATOM 239 CD GLU A 17 3.888 -1.457 -8.995 1.00 63.22 C ATOM 240 OE1 GLU A 17 4.668 -0.987 -9.849 1.00 53.02 O ATOM 241 OE2 GLU A 17 2.782 -1.962 -9.281 1.00 73.44 O ATOM 0 H GLU A 17 6.345 -0.969 -5.149 1.00 11.34 H new ATOM 0 HA GLU A 17 4.833 -3.329 -5.803 1.00 20.34 H new ATOM 0 HB2 GLU A 17 6.425 -1.250 -7.312 1.00 33.03 H new ATOM 0 HB3 GLU A 17 5.900 -2.712 -8.124 1.00 33.03 H new ATOM 0 HG2 GLU A 17 3.560 -1.936 -6.935 1.00 64.52 H new ATOM 0 HG3 GLU A 17 4.316 -0.377 -7.198 1.00 64.52 H new ATOM 248 N ARG A 18 7.903 -3.674 -5.216 1.00 42.23 N ATOM 249 CA ARG A 18 9.039 -4.588 -5.196 1.00 43.14 C ATOM 250 C ARG A 18 8.738 -5.812 -4.337 1.00 13.44 C ATOM 251 O ARG A 18 8.971 -6.947 -4.753 1.00 23.13 O ATOM 252 CB ARG A 18 10.285 -3.875 -4.667 1.00 43.43 C ATOM 253 CG ARG A 18 11.552 -4.708 -4.765 1.00 32.32 C ATOM 254 CD ARG A 18 12.496 -4.423 -3.608 1.00 23.23 C ATOM 255 NE ARG A 18 13.536 -3.464 -3.973 1.00 0.24 N ATOM 256 CZ ARG A 18 14.551 -3.144 -3.180 1.00 23.13 C ATOM 257 NH1 ARG A 18 14.665 -3.704 -1.982 1.00 52.25 N ATOM 258 NH2 ARG A 18 15.457 -2.262 -3.582 1.00 40.14 N ATOM 0 H ARG A 18 7.956 -2.919 -4.532 1.00 42.23 H new ATOM 0 HA ARG A 18 9.224 -4.919 -6.218 1.00 43.14 H new ATOM 0 HB2 ARG A 18 10.426 -2.948 -5.223 1.00 43.43 H new ATOM 0 HB3 ARG A 18 10.121 -3.600 -3.625 1.00 43.43 H new ATOM 0 HG2 ARG A 18 11.293 -5.767 -4.773 1.00 32.32 H new ATOM 0 HG3 ARG A 18 12.056 -4.496 -5.708 1.00 32.32 H new ATOM 0 HD2 ARG A 18 11.927 -4.036 -2.763 1.00 23.23 H new ATOM 0 HD3 ARG A 18 12.960 -5.354 -3.281 1.00 23.23 H new ATOM 0 HE ARG A 18 13.479 -3.016 -4.887 1.00 0.24 H new ATOM 0 HH11 ARG A 18 13.971 -4.383 -1.668 1.00 52.25 H new ATOM 0 HH12 ARG A 18 15.446 -3.456 -1.375 1.00 52.25 H new ATOM 0 HH21 ARG A 18 15.374 -1.829 -4.502 1.00 40.14 H new ATOM 0 HH22 ARG A 18 16.236 -2.017 -2.971 1.00 40.14 H new ATOM 272 N ILE A 19 8.218 -5.572 -3.138 1.00 20.11 N ATOM 273 CA ILE A 19 7.884 -6.655 -2.221 1.00 24.05 C ATOM 274 C ILE A 19 6.991 -7.690 -2.895 1.00 34.23 C ATOM 275 O ILE A 19 6.012 -7.344 -3.556 1.00 52.21 O ATOM 276 CB ILE A 19 7.176 -6.126 -0.959 1.00 25.24 C ATOM 277 CG1 ILE A 19 8.074 -5.126 -0.226 1.00 33.23 C ATOM 278 CG2 ILE A 19 6.799 -7.279 -0.041 1.00 33.01 C ATOM 279 CD1 ILE A 19 7.323 -3.939 0.335 1.00 70.03 C ATOM 0 H ILE A 19 8.019 -4.638 -2.779 1.00 20.11 H new ATOM 0 HA ILE A 19 8.824 -7.124 -1.931 1.00 24.05 H new ATOM 0 HB ILE A 19 6.262 -5.613 -1.260 1.00 25.24 H new ATOM 0 HG12 ILE A 19 8.587 -5.639 0.588 1.00 33.23 H new ATOM 0 HG13 ILE A 19 8.842 -4.769 -0.912 1.00 33.23 H new ATOM 0 HG21 ILE A 19 6.300 -6.889 0.846 1.00 33.01 H new ATOM 0 HG22 ILE A 19 6.128 -7.958 -0.567 1.00 33.01 H new ATOM 0 HG23 ILE A 19 7.699 -7.817 0.256 1.00 33.01 H new ATOM 0 HD11 ILE A 19 8.022 -3.272 0.841 1.00 70.03 H new ATOM 0 HD12 ILE A 19 6.832 -3.402 -0.477 1.00 70.03 H new ATOM 0 HD13 ILE A 19 6.573 -4.286 1.046 1.00 70.03 H new ATOM 291 N ARG A 20 7.332 -8.962 -2.720 1.00 64.34 N ATOM 292 CA ARG A 20 6.561 -10.049 -3.311 1.00 11.21 C ATOM 293 C ARG A 20 5.441 -10.493 -2.374 1.00 52.00 C ATOM 294 O ARG A 20 5.650 -10.653 -1.171 1.00 12.42 O ATOM 295 CB ARG A 20 7.472 -11.235 -3.631 1.00 61.05 C ATOM 296 CG ARG A 20 8.228 -11.087 -4.942 1.00 31.43 C ATOM 297 CD ARG A 20 9.632 -11.661 -4.843 1.00 73.22 C ATOM 298 NE ARG A 20 10.534 -11.075 -5.831 1.00 75.42 N ATOM 299 CZ ARG A 20 10.503 -11.377 -7.125 1.00 34.32 C ATOM 300 NH1 ARG A 20 9.620 -12.254 -7.583 1.00 63.44 N ATOM 301 NH2 ARG A 20 11.356 -10.802 -7.962 1.00 20.10 N ATOM 0 H ARG A 20 8.138 -9.266 -2.173 1.00 64.34 H new ATOM 0 HA ARG A 20 6.115 -9.683 -4.236 1.00 11.21 H new ATOM 0 HB2 ARG A 20 8.189 -11.360 -2.820 1.00 61.05 H new ATOM 0 HB3 ARG A 20 6.871 -12.144 -3.668 1.00 61.05 H new ATOM 0 HG2 ARG A 20 7.682 -11.594 -5.737 1.00 31.43 H new ATOM 0 HG3 ARG A 20 8.283 -10.033 -5.215 1.00 31.43 H new ATOM 0 HD2 ARG A 20 10.026 -11.484 -3.842 1.00 73.22 H new ATOM 0 HD3 ARG A 20 9.593 -12.741 -4.984 1.00 73.22 H new ATOM 0 HE ARG A 20 11.225 -10.397 -5.510 1.00 75.42 H new ATOM 0 HH11 ARG A 20 8.963 -12.698 -6.942 1.00 63.44 H new ATOM 0 HH12 ARG A 20 9.598 -12.484 -8.576 1.00 63.44 H new ATOM 0 HH21 ARG A 20 12.037 -10.127 -7.613 1.00 20.10 H new ATOM 0 HH22 ARG A 20 11.331 -11.034 -8.955 1.00 20.10 H new ATOM 315 N LEU A 21 4.252 -10.689 -2.934 1.00 33.14 N ATOM 316 CA LEU A 21 3.098 -11.114 -2.148 1.00 22.13 C ATOM 317 C LEU A 21 3.389 -12.419 -1.414 1.00 0.11 C ATOM 318 O LEU A 21 2.817 -12.689 -0.357 1.00 63.33 O ATOM 319 CB LEU A 21 1.876 -11.286 -3.053 1.00 3.21 C ATOM 320 CG LEU A 21 1.192 -9.996 -3.508 1.00 34.51 C ATOM 321 CD1 LEU A 21 0.134 -10.296 -4.559 1.00 33.51 C ATOM 322 CD2 LEU A 21 0.576 -9.272 -2.321 1.00 13.13 C ATOM 0 H LEU A 21 4.062 -10.561 -3.928 1.00 33.14 H new ATOM 0 HA LEU A 21 2.889 -10.342 -1.408 1.00 22.13 H new ATOM 0 HB2 LEU A 21 2.180 -11.844 -3.938 1.00 3.21 H new ATOM 0 HB3 LEU A 21 1.142 -11.897 -2.527 1.00 3.21 H new ATOM 0 HG LEU A 21 1.945 -9.346 -3.954 1.00 34.51 H new ATOM 0 HD11 LEU A 21 -0.342 -9.367 -4.871 1.00 33.51 H new ATOM 0 HD12 LEU A 21 0.602 -10.771 -5.421 1.00 33.51 H new ATOM 0 HD13 LEU A 21 -0.617 -10.965 -4.139 1.00 33.51 H new ATOM 0 HD21 LEU A 21 0.094 -8.356 -2.664 1.00 13.13 H new ATOM 0 HD22 LEU A 21 -0.164 -9.916 -1.846 1.00 13.13 H new ATOM 0 HD23 LEU A 21 1.356 -9.024 -1.601 1.00 13.13 H new ATOM 334 N ARG A 22 4.284 -13.223 -1.979 1.00 54.03 N ATOM 335 CA ARG A 22 4.651 -14.499 -1.378 1.00 23.01 C ATOM 336 C ARG A 22 6.160 -14.721 -1.454 1.00 34.14 C ATOM 337 O ARG A 22 6.864 -14.102 -2.252 1.00 73.04 O ATOM 338 CB ARG A 22 3.920 -15.646 -2.077 1.00 64.35 C ATOM 339 CG ARG A 22 2.725 -16.171 -1.300 1.00 12.12 C ATOM 340 CD ARG A 22 1.429 -15.526 -1.768 1.00 22.20 C ATOM 341 NE ARG A 22 0.447 -15.427 -0.692 1.00 3.43 N ATOM 342 CZ ARG A 22 -0.827 -15.109 -0.887 1.00 1.33 C ATOM 343 NH1 ARG A 22 -1.272 -14.861 -2.111 1.00 31.25 N ATOM 344 NH2 ARG A 22 -1.661 -15.038 0.144 1.00 43.53 N ATOM 0 H ARG A 22 4.768 -13.013 -2.852 1.00 54.03 H new ATOM 0 HA ARG A 22 4.356 -14.476 -0.329 1.00 23.01 H new ATOM 0 HB2 ARG A 22 3.585 -15.308 -3.057 1.00 64.35 H new ATOM 0 HB3 ARG A 22 4.621 -16.464 -2.245 1.00 64.35 H new ATOM 0 HG2 ARG A 22 2.658 -17.252 -1.420 1.00 12.12 H new ATOM 0 HG3 ARG A 22 2.867 -15.976 -0.237 1.00 12.12 H new ATOM 0 HD2 ARG A 22 1.640 -14.531 -2.159 1.00 22.20 H new ATOM 0 HD3 ARG A 22 1.010 -16.108 -2.589 1.00 22.20 H new ATOM 0 HE ARG A 22 0.757 -15.612 0.262 1.00 3.43 H new ATOM 0 HH11 ARG A 22 -0.635 -14.914 -2.906 1.00 31.25 H new ATOM 0 HH12 ARG A 22 -2.251 -14.617 -2.258 1.00 31.25 H new ATOM 0 HH21 ARG A 22 -1.323 -15.228 1.087 1.00 43.53 H new ATOM 0 HH22 ARG A 22 -2.640 -14.794 -0.008 1.00 43.53 H new ATOM 358 N PRO A 23 6.669 -15.624 -0.603 1.00 75.23 N ATOM 359 CA PRO A 23 8.097 -15.949 -0.554 1.00 34.03 C ATOM 360 C PRO A 23 8.562 -16.707 -1.792 1.00 33.31 C ATOM 361 O PRO A 23 9.699 -16.554 -2.236 1.00 73.32 O ATOM 362 CB PRO A 23 8.217 -16.831 0.691 1.00 65.03 C ATOM 363 CG PRO A 23 6.866 -17.433 0.861 1.00 24.45 C ATOM 364 CD PRO A 23 5.888 -16.399 0.377 1.00 64.44 C ATOM 0 HA PRO A 23 8.718 -15.054 -0.520 1.00 34.03 H new ATOM 0 HB2 PRO A 23 8.979 -17.599 0.560 1.00 65.03 H new ATOM 0 HB3 PRO A 23 8.502 -16.245 1.565 1.00 65.03 H new ATOM 0 HG2 PRO A 23 6.775 -18.355 0.287 1.00 24.45 H new ATOM 0 HG3 PRO A 23 6.681 -17.687 1.905 1.00 24.45 H new ATOM 0 HD2 PRO A 23 5.011 -16.858 -0.080 1.00 64.44 H new ATOM 0 HD3 PRO A 23 5.530 -15.771 1.193 1.00 64.44 H new ATOM 372 N GLY A 24 7.673 -17.528 -2.347 1.00 44.21 N ATOM 373 CA GLY A 24 8.012 -18.298 -3.529 1.00 10.12 C ATOM 374 C GLY A 24 7.180 -17.906 -4.734 1.00 41.25 C ATOM 375 O GLY A 24 7.085 -18.659 -5.703 1.00 2.35 O ATOM 0 H GLY A 24 6.725 -17.673 -1.998 1.00 44.21 H new ATOM 0 HA2 GLY A 24 9.068 -18.158 -3.759 1.00 10.12 H new ATOM 0 HA3 GLY A 24 7.869 -19.358 -3.322 1.00 10.12 H new ATOM 379 N GLY A 25 6.574 -16.724 -4.674 1.00 73.43 N ATOM 380 CA GLY A 25 5.752 -16.256 -5.775 1.00 31.14 C ATOM 381 C GLY A 25 6.479 -15.265 -6.660 1.00 1.42 C ATOM 382 O GLY A 25 7.672 -15.016 -6.479 1.00 71.12 O ATOM 0 H GLY A 25 6.637 -16.083 -3.883 1.00 73.43 H new ATOM 0 HA2 GLY A 25 5.434 -17.109 -6.375 1.00 31.14 H new ATOM 0 HA3 GLY A 25 4.850 -15.791 -5.378 1.00 31.14 H new ATOM 386 N LYS A 26 5.761 -14.696 -7.623 1.00 43.21 N ATOM 387 CA LYS A 26 6.345 -13.726 -8.542 1.00 31.34 C ATOM 388 C LYS A 26 5.485 -12.469 -8.625 1.00 63.04 C ATOM 389 O LYS A 26 5.776 -11.554 -9.396 1.00 24.03 O ATOM 390 CB LYS A 26 6.503 -14.342 -9.934 1.00 31.24 C ATOM 391 CG LYS A 26 7.556 -13.657 -10.787 1.00 44.41 C ATOM 392 CD LYS A 26 7.894 -14.474 -12.022 1.00 72.51 C ATOM 393 CE LYS A 26 9.023 -13.841 -12.819 1.00 11.23 C ATOM 394 NZ LYS A 26 9.542 -14.758 -13.872 1.00 20.34 N ATOM 0 H LYS A 26 4.773 -14.890 -7.787 1.00 43.21 H new ATOM 0 HA LYS A 26 7.328 -13.448 -8.161 1.00 31.34 H new ATOM 0 HB2 LYS A 26 6.762 -15.395 -9.828 1.00 31.24 H new ATOM 0 HB3 LYS A 26 5.545 -14.300 -10.452 1.00 31.24 H new ATOM 0 HG2 LYS A 26 7.197 -12.673 -11.088 1.00 44.41 H new ATOM 0 HG3 LYS A 26 8.458 -13.500 -10.196 1.00 44.41 H new ATOM 0 HD2 LYS A 26 8.179 -15.483 -11.725 1.00 72.51 H new ATOM 0 HD3 LYS A 26 7.009 -14.565 -12.652 1.00 72.51 H new ATOM 0 HE2 LYS A 26 8.668 -12.920 -13.282 1.00 11.23 H new ATOM 0 HE3 LYS A 26 9.834 -13.567 -12.144 1.00 11.23 H new ATOM 0 HZ1 LYS A 26 10.310 -14.289 -14.393 1.00 20.34 H new ATOM 0 HZ2 LYS A 26 9.904 -15.626 -13.429 1.00 20.34 H new ATOM 0 HZ3 LYS A 26 8.775 -15.000 -14.531 1.00 20.34 H new ATOM 408 N LYS A 27 4.424 -12.430 -7.827 1.00 73.20 N ATOM 409 CA LYS A 27 3.522 -11.285 -7.808 1.00 34.12 C ATOM 410 C LYS A 27 3.951 -10.271 -6.752 1.00 25.33 C ATOM 411 O LYS A 27 4.540 -10.633 -5.733 1.00 13.52 O ATOM 412 CB LYS A 27 2.087 -11.744 -7.535 1.00 10.44 C ATOM 413 CG LYS A 27 1.586 -12.788 -8.516 1.00 61.40 C ATOM 414 CD LYS A 27 0.409 -13.566 -7.950 1.00 54.44 C ATOM 415 CE LYS A 27 0.022 -14.727 -8.853 1.00 62.30 C ATOM 416 NZ LYS A 27 -1.346 -15.231 -8.553 1.00 75.10 N ATOM 0 H LYS A 27 4.167 -13.179 -7.184 1.00 73.20 H new ATOM 0 HA LYS A 27 3.564 -10.805 -8.786 1.00 34.12 H new ATOM 0 HB2 LYS A 27 2.030 -12.150 -6.525 1.00 10.44 H new ATOM 0 HB3 LYS A 27 1.425 -10.879 -7.569 1.00 10.44 H new ATOM 0 HG2 LYS A 27 1.289 -12.302 -9.446 1.00 61.40 H new ATOM 0 HG3 LYS A 27 2.395 -13.477 -8.760 1.00 61.40 H new ATOM 0 HD2 LYS A 27 0.663 -13.943 -6.960 1.00 54.44 H new ATOM 0 HD3 LYS A 27 -0.444 -12.899 -7.827 1.00 54.44 H new ATOM 0 HE2 LYS A 27 0.072 -14.409 -9.894 1.00 62.30 H new ATOM 0 HE3 LYS A 27 0.742 -15.537 -8.732 1.00 62.30 H new ATOM 0 HZ1 LYS A 27 -1.572 -16.022 -9.190 1.00 75.10 H new ATOM 0 HZ2 LYS A 27 -1.387 -15.558 -7.567 1.00 75.10 H new ATOM 0 HZ3 LYS A 27 -2.036 -14.466 -8.693 1.00 75.10 H new ATOM 430 N LYS A 28 3.654 -9.001 -7.002 1.00 75.34 N ATOM 431 CA LYS A 28 4.006 -7.934 -6.073 1.00 0.14 C ATOM 432 C LYS A 28 2.768 -7.152 -5.647 1.00 11.04 C ATOM 433 O LYS A 28 1.696 -7.301 -6.234 1.00 14.35 O ATOM 434 CB LYS A 28 5.024 -6.988 -6.713 1.00 41.53 C ATOM 435 CG LYS A 28 6.379 -7.629 -6.962 1.00 34.21 C ATOM 436 CD LYS A 28 6.863 -7.377 -8.380 1.00 74.32 C ATOM 437 CE LYS A 28 6.743 -8.625 -9.241 1.00 34.45 C ATOM 438 NZ LYS A 28 5.379 -8.771 -9.820 1.00 11.41 N ATOM 0 H LYS A 28 3.169 -8.685 -7.842 1.00 75.34 H new ATOM 0 HA LYS A 28 4.449 -8.390 -5.187 1.00 0.14 H new ATOM 0 HB2 LYS A 28 4.624 -6.624 -7.660 1.00 41.53 H new ATOM 0 HB3 LYS A 28 5.156 -6.119 -6.068 1.00 41.53 H new ATOM 0 HG2 LYS A 28 7.106 -7.233 -6.253 1.00 34.21 H new ATOM 0 HG3 LYS A 28 6.313 -8.702 -6.785 1.00 34.21 H new ATOM 0 HD2 LYS A 28 6.282 -6.569 -8.825 1.00 74.32 H new ATOM 0 HD3 LYS A 28 7.902 -7.048 -8.358 1.00 74.32 H new ATOM 0 HE2 LYS A 28 7.477 -8.582 -10.046 1.00 34.45 H new ATOM 0 HE3 LYS A 28 6.979 -9.504 -8.641 1.00 34.45 H new ATOM 0 HZ1 LYS A 28 5.129 -9.779 -9.869 1.00 11.41 H new ATOM 0 HZ2 LYS A 28 4.692 -8.272 -9.220 1.00 11.41 H new ATOM 0 HZ3 LYS A 28 5.363 -8.364 -10.777 1.00 11.41 H new ATOM 452 N TYR A 29 2.924 -6.320 -4.624 1.00 15.14 N ATOM 453 CA TYR A 29 1.817 -5.515 -4.117 1.00 72.24 C ATOM 454 C TYR A 29 1.384 -4.476 -5.147 1.00 5.24 C ATOM 455 O TYR A 29 2.214 -3.906 -5.856 1.00 3.02 O ATOM 456 CB TYR A 29 2.217 -4.823 -2.814 1.00 34.23 C ATOM 457 CG TYR A 29 1.997 -5.674 -1.584 1.00 63.41 C ATOM 458 CD1 TYR A 29 0.715 -5.946 -1.123 1.00 13.01 C ATOM 459 CD2 TYR A 29 3.072 -6.206 -0.882 1.00 20.33 C ATOM 460 CE1 TYR A 29 0.509 -6.723 0.000 1.00 12.35 C ATOM 461 CE2 TYR A 29 2.876 -6.986 0.242 1.00 53.55 C ATOM 462 CZ TYR A 29 1.592 -7.241 0.679 1.00 42.03 C ATOM 463 OH TYR A 29 1.393 -8.016 1.799 1.00 61.01 O ATOM 0 H TYR A 29 3.805 -6.185 -4.129 1.00 15.14 H new ATOM 0 HA TYR A 29 0.976 -6.180 -3.923 1.00 72.24 H new ATOM 0 HB2 TYR A 29 3.269 -4.544 -2.869 1.00 34.23 H new ATOM 0 HB3 TYR A 29 1.647 -3.899 -2.713 1.00 34.23 H new ATOM 0 HD1 TYR A 29 -0.136 -5.543 -1.652 1.00 13.01 H new ATOM 0 HD2 TYR A 29 4.078 -6.006 -1.221 1.00 20.33 H new ATOM 0 HE1 TYR A 29 -0.495 -6.924 0.345 1.00 12.35 H new ATOM 0 HE2 TYR A 29 3.722 -7.393 0.775 1.00 53.55 H new ATOM 0 HH TYR A 29 0.539 -8.490 1.721 1.00 61.01 H new ATOM 473 N ARG A 30 0.080 -4.233 -5.222 1.00 24.21 N ATOM 474 CA ARG A 30 -0.464 -3.263 -6.165 1.00 4.15 C ATOM 475 C ARG A 30 -1.701 -2.581 -5.588 1.00 42.10 C ATOM 476 O ARG A 30 -2.263 -3.031 -4.589 1.00 11.11 O ATOM 477 CB ARG A 30 -0.815 -3.946 -7.487 1.00 64.55 C ATOM 478 CG ARG A 30 -0.139 -3.318 -8.695 1.00 72.52 C ATOM 479 CD ARG A 30 0.845 -4.277 -9.345 1.00 24.51 C ATOM 480 NE ARG A 30 0.175 -5.431 -9.939 1.00 31.12 N ATOM 481 CZ ARG A 30 -0.499 -5.381 -11.082 1.00 63.40 C ATOM 482 NH1 ARG A 30 -0.590 -4.240 -11.752 1.00 74.44 N ATOM 483 NH2 ARG A 30 -1.081 -6.474 -11.559 1.00 63.11 N ATOM 0 H ARG A 30 -0.620 -4.694 -4.641 1.00 24.21 H new ATOM 0 HA ARG A 30 0.297 -2.504 -6.348 1.00 4.15 H new ATOM 0 HB2 ARG A 30 -0.533 -4.997 -7.429 1.00 64.55 H new ATOM 0 HB3 ARG A 30 -1.895 -3.913 -7.628 1.00 64.55 H new ATOM 0 HG2 ARG A 30 -0.895 -3.022 -9.423 1.00 72.52 H new ATOM 0 HG3 ARG A 30 0.383 -2.411 -8.390 1.00 72.52 H new ATOM 0 HD2 ARG A 30 1.410 -3.750 -10.114 1.00 24.51 H new ATOM 0 HD3 ARG A 30 1.563 -4.619 -8.600 1.00 24.51 H new ATOM 0 HE ARG A 30 0.228 -6.324 -9.449 1.00 31.12 H new ATOM 0 HH11 ARG A 30 -0.142 -3.399 -11.389 1.00 74.44 H new ATOM 0 HH12 ARG A 30 -1.108 -4.204 -12.630 1.00 74.44 H new ATOM 0 HH21 ARG A 30 -1.011 -7.354 -11.048 1.00 63.11 H new ATOM 0 HH22 ARG A 30 -1.598 -6.434 -12.437 1.00 63.11 H new ATOM 497 N LEU A 31 -2.120 -1.492 -6.224 1.00 43.11 N ATOM 498 CA LEU A 31 -3.291 -0.747 -5.775 1.00 25.20 C ATOM 499 C LEU A 31 -4.466 -1.684 -5.513 1.00 23.04 C ATOM 500 O LEU A 31 -5.267 -1.453 -4.607 1.00 32.40 O ATOM 501 CB LEU A 31 -3.683 0.302 -6.817 1.00 64.14 C ATOM 502 CG LEU A 31 -3.814 1.738 -6.309 1.00 22.01 C ATOM 503 CD1 LEU A 31 -2.448 2.401 -6.225 1.00 64.02 C ATOM 504 CD2 LEU A 31 -4.744 2.539 -7.207 1.00 40.15 C ATOM 0 H LEU A 31 -1.666 -1.106 -7.052 1.00 43.11 H new ATOM 0 HA LEU A 31 -3.035 -0.245 -4.842 1.00 25.20 H new ATOM 0 HB2 LEU A 31 -2.941 0.287 -7.615 1.00 64.14 H new ATOM 0 HB3 LEU A 31 -4.634 0.007 -7.260 1.00 64.14 H new ATOM 0 HG LEU A 31 -4.244 1.711 -5.308 1.00 22.01 H new ATOM 0 HD11 LEU A 31 -2.561 3.422 -5.862 1.00 64.02 H new ATOM 0 HD12 LEU A 31 -1.813 1.840 -5.539 1.00 64.02 H new ATOM 0 HD13 LEU A 31 -1.990 2.416 -7.214 1.00 64.02 H new ATOM 0 HD21 LEU A 31 -4.825 3.558 -6.830 1.00 40.15 H new ATOM 0 HD22 LEU A 31 -4.344 2.558 -8.221 1.00 40.15 H new ATOM 0 HD23 LEU A 31 -5.731 2.076 -7.215 1.00 40.15 H new ATOM 516 N LYS A 32 -4.560 -2.742 -6.309 1.00 34.31 N ATOM 517 CA LYS A 32 -5.634 -3.718 -6.162 1.00 50.54 C ATOM 518 C LYS A 32 -5.726 -4.213 -4.722 1.00 72.13 C ATOM 519 O LYS A 32 -6.820 -4.393 -4.185 1.00 4.21 O ATOM 520 CB LYS A 32 -5.410 -4.901 -7.107 1.00 3.40 C ATOM 521 CG LYS A 32 -6.450 -5.006 -8.209 1.00 13.35 C ATOM 522 CD LYS A 32 -6.898 -6.443 -8.417 1.00 41.24 C ATOM 523 CE LYS A 32 -6.123 -7.109 -9.545 1.00 0.42 C ATOM 524 NZ LYS A 32 -5.938 -8.566 -9.304 1.00 24.42 N ATOM 0 H LYS A 32 -3.905 -2.947 -7.064 1.00 34.31 H new ATOM 0 HA LYS A 32 -6.573 -3.229 -6.420 1.00 50.54 H new ATOM 0 HB2 LYS A 32 -4.422 -4.812 -7.559 1.00 3.40 H new ATOM 0 HB3 LYS A 32 -5.413 -5.824 -6.527 1.00 3.40 H new ATOM 0 HG2 LYS A 32 -7.312 -4.388 -7.957 1.00 13.35 H new ATOM 0 HG3 LYS A 32 -6.037 -4.614 -9.139 1.00 13.35 H new ATOM 0 HD2 LYS A 32 -6.757 -7.007 -7.495 1.00 41.24 H new ATOM 0 HD3 LYS A 32 -7.964 -6.464 -8.644 1.00 41.24 H new ATOM 0 HE2 LYS A 32 -6.652 -6.961 -10.486 1.00 0.42 H new ATOM 0 HE3 LYS A 32 -5.149 -6.631 -9.648 1.00 0.42 H new ATOM 0 HZ1 LYS A 32 -5.406 -8.984 -10.094 1.00 24.42 H new ATOM 0 HZ2 LYS A 32 -5.411 -8.707 -8.419 1.00 24.42 H new ATOM 0 HZ3 LYS A 32 -6.868 -9.027 -9.231 1.00 24.42 H new ATOM 538 N HIS A 33 -4.571 -4.432 -4.102 1.00 24.42 N ATOM 539 CA HIS A 33 -4.521 -4.905 -2.723 1.00 25.34 C ATOM 540 C HIS A 33 -4.863 -3.780 -1.750 1.00 40.25 C ATOM 541 O HIS A 33 -5.441 -4.089 -0.709 1.00 74.31 O ATOM 542 CB HIS A 33 -3.134 -5.466 -2.403 1.00 10.03 C ATOM 543 CG HIS A 33 -2.690 -6.538 -3.350 1.00 44.25 C ATOM 544 ND1 HIS A 33 -1.651 -6.371 -4.242 1.00 73.43 N ATOM 545 CD2 HIS A 33 -3.148 -7.798 -3.541 1.00 14.55 C ATOM 546 CE1 HIS A 33 -1.491 -7.481 -4.941 1.00 11.21 C ATOM 547 NE2 HIS A 33 -2.387 -8.363 -4.534 1.00 0.42 N ATOM 0 H HIS A 33 -3.657 -4.290 -4.532 1.00 24.42 H new ATOM 0 HA HIS A 33 -5.261 -5.698 -2.610 1.00 25.34 H new ATOM 0 HB2 HIS A 33 -2.409 -4.653 -2.422 1.00 10.03 H new ATOM 0 HB3 HIS A 33 -3.138 -5.867 -1.389 1.00 10.03 H new ATOM 0 HD2 HIS A 33 -3.961 -8.271 -3.010 1.00 14.55 H new ATOM 0 HE1 HIS A 33 -0.753 -7.640 -5.714 1.00 11.21 H new ATOM 0 HE2 HIS A 33 -2.495 -9.310 -4.898 1.00 0.42 H new ATOM 555 N ILE A 34 -4.533 -2.528 -2.051 1.00 45.13 N ATOM 556 CA ILE A 34 -4.840 -1.421 -1.155 1.00 2.52 C ATOM 557 C ILE A 34 -6.340 -1.156 -1.102 1.00 74.22 C ATOM 558 O ILE A 34 -6.897 -0.879 -0.039 1.00 42.31 O ATOM 559 CB ILE A 34 -4.116 -0.131 -1.584 1.00 75.40 C ATOM 560 CG1 ILE A 34 -2.645 -0.420 -1.880 1.00 65.45 C ATOM 561 CG2 ILE A 34 -4.245 0.933 -0.504 1.00 33.01 C ATOM 562 CD1 ILE A 34 -1.837 0.818 -2.201 1.00 5.24 C ATOM 0 H ILE A 34 -4.053 -2.256 -2.909 1.00 45.13 H new ATOM 0 HA ILE A 34 -4.490 -1.711 -0.164 1.00 2.52 H new ATOM 0 HB ILE A 34 -4.583 0.244 -2.495 1.00 75.40 H new ATOM 0 HG12 ILE A 34 -2.201 -0.920 -1.019 1.00 65.45 H new ATOM 0 HG13 ILE A 34 -2.581 -1.113 -2.719 1.00 65.45 H new ATOM 0 HG21 ILE A 34 -3.728 1.839 -0.822 1.00 33.01 H new ATOM 0 HG22 ILE A 34 -5.299 1.156 -0.337 1.00 33.01 H new ATOM 0 HG23 ILE A 34 -3.800 0.568 0.422 1.00 33.01 H new ATOM 0 HD11 ILE A 34 -0.803 0.536 -2.400 1.00 5.24 H new ATOM 0 HD12 ILE A 34 -2.255 1.308 -3.080 1.00 5.24 H new ATOM 0 HD13 ILE A 34 -1.870 1.503 -1.354 1.00 5.24 H new ATOM 574 N VAL A 35 -6.993 -1.245 -2.258 1.00 43.40 N ATOM 575 CA VAL A 35 -8.430 -1.017 -2.344 1.00 25.12 C ATOM 576 C VAL A 35 -9.198 -2.041 -1.517 1.00 14.34 C ATOM 577 O VAL A 35 -10.070 -1.685 -0.723 1.00 51.03 O ATOM 578 CB VAL A 35 -8.921 -1.079 -3.802 1.00 60.14 C ATOM 579 CG1 VAL A 35 -10.435 -0.945 -3.862 1.00 52.24 C ATOM 580 CG2 VAL A 35 -8.248 0.001 -4.637 1.00 10.11 C ATOM 0 H VAL A 35 -6.548 -1.473 -3.147 1.00 43.40 H new ATOM 0 HA VAL A 35 -8.617 -0.019 -1.947 1.00 25.12 H new ATOM 0 HB VAL A 35 -8.650 -2.049 -4.218 1.00 60.14 H new ATOM 0 HG11 VAL A 35 -10.763 -0.991 -4.900 1.00 52.24 H new ATOM 0 HG12 VAL A 35 -10.895 -1.758 -3.300 1.00 52.24 H new ATOM 0 HG13 VAL A 35 -10.733 0.010 -3.429 1.00 52.24 H new ATOM 0 HG21 VAL A 35 -8.607 -0.057 -5.665 1.00 10.11 H new ATOM 0 HG22 VAL A 35 -8.487 0.981 -4.225 1.00 10.11 H new ATOM 0 HG23 VAL A 35 -7.168 -0.146 -4.621 1.00 10.11 H new ATOM 590 N TRP A 36 -8.870 -3.314 -1.707 1.00 53.42 N ATOM 591 CA TRP A 36 -9.530 -4.391 -0.978 1.00 11.24 C ATOM 592 C TRP A 36 -9.368 -4.208 0.528 1.00 54.44 C ATOM 593 O TRP A 36 -10.205 -4.656 1.310 1.00 20.11 O ATOM 594 CB TRP A 36 -8.963 -5.745 -1.403 1.00 23.20 C ATOM 595 CG TRP A 36 -9.496 -6.892 -0.598 1.00 73.41 C ATOM 596 CD1 TRP A 36 -10.616 -7.627 -0.863 1.00 25.42 C ATOM 597 CD2 TRP A 36 -8.932 -7.432 0.602 1.00 2.20 C ATOM 598 NE1 TRP A 36 -10.782 -8.593 0.101 1.00 35.33 N ATOM 599 CE2 TRP A 36 -9.763 -8.494 1.010 1.00 25.42 C ATOM 600 CE3 TRP A 36 -7.806 -7.124 1.369 1.00 14.23 C ATOM 601 CZ2 TRP A 36 -9.501 -9.246 2.153 1.00 24.01 C ATOM 602 CZ3 TRP A 36 -7.549 -7.870 2.503 1.00 25.32 C ATOM 603 CH2 TRP A 36 -8.392 -8.922 2.886 1.00 4.50 C ATOM 0 H TRP A 36 -8.151 -3.626 -2.360 1.00 53.42 H new ATOM 0 HA TRP A 36 -10.593 -4.359 -1.217 1.00 11.24 H new ATOM 0 HB2 TRP A 36 -9.191 -5.912 -2.456 1.00 23.20 H new ATOM 0 HB3 TRP A 36 -7.877 -5.721 -1.312 1.00 23.20 H new ATOM 0 HD1 TRP A 36 -11.274 -7.472 -1.705 1.00 25.42 H new ATOM 0 HE1 TRP A 36 -11.541 -9.273 0.134 1.00 35.33 H new ATOM 0 HE3 TRP A 36 -7.148 -6.317 1.081 1.00 14.23 H new ATOM 0 HZ2 TRP A 36 -10.150 -10.056 2.450 1.00 24.01 H new ATOM 0 HZ3 TRP A 36 -6.683 -7.638 3.105 1.00 25.32 H new ATOM 0 HH2 TRP A 36 -8.162 -9.488 3.777 1.00 4.50 H new ATOM 614 N ALA A 37 -8.286 -3.546 0.926 1.00 53.13 N ATOM 615 CA ALA A 37 -8.017 -3.302 2.338 1.00 43.14 C ATOM 616 C ALA A 37 -8.937 -2.222 2.894 1.00 31.11 C ATOM 617 O ALA A 37 -9.489 -2.364 3.984 1.00 70.20 O ATOM 618 CB ALA A 37 -6.560 -2.910 2.535 1.00 23.04 C ATOM 0 H ALA A 37 -7.582 -3.169 0.291 1.00 53.13 H new ATOM 0 HA ALA A 37 -8.212 -4.224 2.885 1.00 43.14 H new ATOM 0 HB1 ALA A 37 -6.371 -2.730 3.593 1.00 23.04 H new ATOM 0 HB2 ALA A 37 -5.916 -3.716 2.183 1.00 23.04 H new ATOM 0 HB3 ALA A 37 -6.348 -2.003 1.970 1.00 23.04 H new ATOM 624 N ALA A 38 -9.099 -1.141 2.138 1.00 50.32 N ATOM 625 CA ALA A 38 -9.954 -0.036 2.555 1.00 34.42 C ATOM 626 C ALA A 38 -11.391 -0.504 2.764 1.00 45.13 C ATOM 627 O ALA A 38 -12.067 -0.066 3.693 1.00 24.33 O ATOM 628 CB ALA A 38 -9.906 1.086 1.529 1.00 61.13 C ATOM 0 H ALA A 38 -8.649 -1.007 1.233 1.00 50.32 H new ATOM 0 HA ALA A 38 -9.580 0.342 3.506 1.00 34.42 H new ATOM 0 HB1 ALA A 38 -10.549 1.904 1.854 1.00 61.13 H new ATOM 0 HB2 ALA A 38 -8.882 1.446 1.432 1.00 61.13 H new ATOM 0 HB3 ALA A 38 -10.253 0.713 0.565 1.00 61.13 H new ATOM 634 N ASN A 39 -11.850 -1.396 1.892 1.00 70.10 N ATOM 635 CA ASN A 39 -13.208 -1.921 1.980 1.00 10.12 C ATOM 636 C ASN A 39 -13.457 -2.555 3.346 1.00 74.43 C ATOM 637 O ASN A 39 -14.567 -2.496 3.877 1.00 61.33 O ATOM 638 CB ASN A 39 -13.451 -2.950 0.875 1.00 75.32 C ATOM 639 CG ASN A 39 -14.724 -3.746 1.096 1.00 50.00 C ATOM 640 OD1 ASN A 39 -15.723 -3.217 1.582 1.00 73.25 O ATOM 641 ND2 ASN A 39 -14.690 -5.025 0.740 1.00 34.04 N ATOM 0 H ASN A 39 -11.302 -1.770 1.117 1.00 70.10 H new ATOM 0 HA ASN A 39 -13.902 -1.091 1.852 1.00 10.12 H new ATOM 0 HB2 ASN A 39 -13.507 -2.440 -0.087 1.00 75.32 H new ATOM 0 HB3 ASN A 39 -12.603 -3.633 0.825 1.00 75.32 H new ATOM 0 HD21 ASN A 39 -15.515 -5.612 0.866 1.00 34.04 H new ATOM 0 HD22 ASN A 39 -13.839 -5.421 0.341 1.00 34.04 H new ATOM 648 N LYS A 40 -12.419 -3.162 3.909 1.00 44.24 N ATOM 649 CA LYS A 40 -12.523 -3.806 5.213 1.00 2.43 C ATOM 650 C LYS A 40 -12.574 -2.768 6.330 1.00 64.43 C ATOM 651 O LYS A 40 -13.386 -2.871 7.250 1.00 65.42 O ATOM 652 CB LYS A 40 -11.339 -4.751 5.433 1.00 23.14 C ATOM 653 CG LYS A 40 -11.749 -6.151 5.856 1.00 75.00 C ATOM 654 CD LYS A 40 -11.732 -7.116 4.682 1.00 1.32 C ATOM 655 CE LYS A 40 -12.650 -8.304 4.923 1.00 12.22 C ATOM 656 NZ LYS A 40 -13.723 -8.394 3.894 1.00 63.44 N ATOM 0 H LYS A 40 -11.494 -3.222 3.482 1.00 44.24 H new ATOM 0 HA LYS A 40 -13.448 -4.382 5.234 1.00 2.43 H new ATOM 0 HB2 LYS A 40 -10.759 -4.814 4.512 1.00 23.14 H new ATOM 0 HB3 LYS A 40 -10.684 -4.328 6.194 1.00 23.14 H new ATOM 0 HG2 LYS A 40 -11.074 -6.510 6.633 1.00 75.00 H new ATOM 0 HG3 LYS A 40 -12.748 -6.123 6.290 1.00 75.00 H new ATOM 0 HD2 LYS A 40 -12.041 -6.594 3.776 1.00 1.32 H new ATOM 0 HD3 LYS A 40 -10.714 -7.469 4.515 1.00 1.32 H new ATOM 0 HE2 LYS A 40 -12.064 -9.223 4.918 1.00 12.22 H new ATOM 0 HE3 LYS A 40 -13.101 -8.220 5.912 1.00 12.22 H new ATOM 0 HZ1 LYS A 40 -14.327 -9.217 4.094 1.00 63.44 H new ATOM 0 HZ2 LYS A 40 -14.299 -7.528 3.916 1.00 63.44 H new ATOM 0 HZ3 LYS A 40 -13.293 -8.500 2.953 1.00 63.44 H new ATOM 670 N LEU A 41 -11.703 -1.770 6.242 1.00 5.53 N ATOM 671 CA LEU A 41 -11.649 -0.711 7.246 1.00 14.10 C ATOM 672 C LEU A 41 -13.027 -0.092 7.458 1.00 75.21 C ATOM 673 O LEU A 41 -13.324 0.433 8.531 1.00 50.25 O ATOM 674 CB LEU A 41 -10.652 0.369 6.824 1.00 52.14 C ATOM 675 CG LEU A 41 -9.175 0.050 7.062 1.00 35.24 C ATOM 676 CD1 LEU A 41 -8.298 0.821 6.088 1.00 74.30 C ATOM 677 CD2 LEU A 41 -8.787 0.368 8.498 1.00 20.24 C ATOM 0 H LEU A 41 -11.024 -1.671 5.487 1.00 5.53 H new ATOM 0 HA LEU A 41 -11.320 -1.152 8.187 1.00 14.10 H new ATOM 0 HB2 LEU A 41 -10.793 0.570 5.762 1.00 52.14 H new ATOM 0 HB3 LEU A 41 -10.895 1.288 7.358 1.00 52.14 H new ATOM 0 HG LEU A 41 -9.021 -1.016 6.892 1.00 35.24 H new ATOM 0 HD11 LEU A 41 -7.251 0.581 6.273 1.00 74.30 H new ATOM 0 HD12 LEU A 41 -8.559 0.545 5.066 1.00 74.30 H new ATOM 0 HD13 LEU A 41 -8.455 1.891 6.226 1.00 74.30 H new ATOM 0 HD21 LEU A 41 -7.733 0.135 8.650 1.00 20.24 H new ATOM 0 HD22 LEU A 41 -8.957 1.427 8.695 1.00 20.24 H new ATOM 0 HD23 LEU A 41 -9.393 -0.230 9.179 1.00 20.24 H new ATOM 689 N ASP A 42 -13.866 -0.160 6.430 1.00 23.31 N ATOM 690 CA ASP A 42 -15.213 0.390 6.505 1.00 54.14 C ATOM 691 C ASP A 42 -16.110 -0.484 7.376 1.00 11.31 C ATOM 692 O ASP A 42 -16.795 0.011 8.272 1.00 72.13 O ATOM 693 CB ASP A 42 -15.813 0.519 5.103 1.00 10.20 C ATOM 694 CG ASP A 42 -16.269 1.933 4.796 1.00 22.45 C ATOM 695 OD1 ASP A 42 -17.416 2.276 5.152 1.00 10.42 O ATOM 696 OD2 ASP A 42 -15.478 2.695 4.203 1.00 73.20 O ATOM 0 H ASP A 42 -13.636 -0.591 5.535 1.00 23.31 H new ATOM 0 HA ASP A 42 -15.150 1.379 6.958 1.00 54.14 H new ATOM 0 HB2 ASP A 42 -15.073 0.211 4.364 1.00 10.20 H new ATOM 0 HB3 ASP A 42 -16.660 -0.161 5.009 1.00 10.20 H new ATOM 701 N ARG A 43 -16.101 -1.785 7.107 1.00 64.14 N ATOM 702 CA ARG A 43 -16.915 -2.729 7.865 1.00 42.41 C ATOM 703 C ARG A 43 -16.703 -2.546 9.365 1.00 63.15 C ATOM 704 O ARG A 43 -17.570 -2.886 10.171 1.00 62.51 O ATOM 705 CB ARG A 43 -16.577 -4.165 7.462 1.00 53.33 C ATOM 706 CG ARG A 43 -16.924 -4.490 6.018 1.00 13.33 C ATOM 707 CD ARG A 43 -18.110 -5.439 5.929 1.00 0.44 C ATOM 708 NE ARG A 43 -17.724 -6.822 6.192 1.00 21.32 N ATOM 709 CZ ARG A 43 -18.525 -7.861 5.983 1.00 32.30 C ATOM 710 NH1 ARG A 43 -19.750 -7.673 5.511 1.00 32.11 N ATOM 711 NH2 ARG A 43 -18.102 -9.091 6.246 1.00 51.22 N ATOM 0 H ARG A 43 -15.539 -2.210 6.370 1.00 64.14 H new ATOM 0 HA ARG A 43 -17.963 -2.533 7.637 1.00 42.41 H new ATOM 0 HB2 ARG A 43 -15.512 -4.336 7.618 1.00 53.33 H new ATOM 0 HB3 ARG A 43 -17.110 -4.853 8.119 1.00 53.33 H new ATOM 0 HG2 ARG A 43 -17.153 -3.569 5.482 1.00 13.33 H new ATOM 0 HG3 ARG A 43 -16.060 -4.939 5.527 1.00 13.33 H new ATOM 0 HD2 ARG A 43 -18.874 -5.133 6.644 1.00 0.44 H new ATOM 0 HD3 ARG A 43 -18.556 -5.369 4.937 1.00 0.44 H new ATOM 0 HE ARG A 43 -16.788 -7.000 6.556 1.00 21.32 H new ATOM 0 HH11 ARG A 43 -20.079 -6.729 5.308 1.00 32.11 H new ATOM 0 HH12 ARG A 43 -20.363 -8.472 5.351 1.00 32.11 H new ATOM 0 HH21 ARG A 43 -17.161 -9.240 6.609 1.00 51.22 H new ATOM 0 HH22 ARG A 43 -18.718 -9.888 6.085 1.00 51.22 H new ATOM 725 N PHE A 44 -15.545 -2.008 9.732 1.00 14.44 N ATOM 726 CA PHE A 44 -15.218 -1.782 11.135 1.00 40.12 C ATOM 727 C PHE A 44 -15.445 -0.322 11.518 1.00 12.42 C ATOM 728 O PHE A 44 -15.975 -0.025 12.588 1.00 45.32 O ATOM 729 CB PHE A 44 -13.765 -2.173 11.412 1.00 41.22 C ATOM 730 CG PHE A 44 -13.509 -3.648 11.292 1.00 64.44 C ATOM 731 CD1 PHE A 44 -14.111 -4.542 12.162 1.00 71.34 C ATOM 732 CD2 PHE A 44 -12.665 -4.141 10.309 1.00 44.40 C ATOM 733 CE1 PHE A 44 -13.876 -5.900 12.055 1.00 51.24 C ATOM 734 CE2 PHE A 44 -12.426 -5.497 10.197 1.00 72.31 C ATOM 735 CZ PHE A 44 -13.034 -6.378 11.069 1.00 31.14 C ATOM 0 H PHE A 44 -14.817 -1.720 9.078 1.00 14.44 H new ATOM 0 HA PHE A 44 -15.876 -2.405 11.740 1.00 40.12 H new ATOM 0 HB2 PHE A 44 -13.115 -1.642 10.717 1.00 41.22 H new ATOM 0 HB3 PHE A 44 -13.494 -1.846 12.416 1.00 41.22 H new ATOM 0 HD1 PHE A 44 -14.772 -4.174 12.933 1.00 71.34 H new ATOM 0 HD2 PHE A 44 -12.189 -3.457 9.622 1.00 44.40 H new ATOM 0 HE1 PHE A 44 -14.350 -6.586 12.741 1.00 51.24 H new ATOM 0 HE2 PHE A 44 -11.764 -5.868 9.428 1.00 72.31 H new ATOM 0 HZ PHE A 44 -12.852 -7.439 10.981 1.00 31.14 H new ATOM 745 N GLY A 45 -15.039 0.586 10.635 1.00 73.53 N ATOM 746 CA GLY A 45 -15.206 2.003 10.899 1.00 60.53 C ATOM 747 C GLY A 45 -13.955 2.801 10.590 1.00 65.50 C ATOM 748 O GLY A 45 -14.029 3.892 10.024 1.00 52.54 O ATOM 0 H GLY A 45 -14.598 0.365 9.742 1.00 73.53 H new ATOM 0 HA2 GLY A 45 -16.034 2.386 10.302 1.00 60.53 H new ATOM 0 HA3 GLY A 45 -15.475 2.145 11.946 1.00 60.53 H new ATOM 752 N LEU A 46 -12.801 2.257 10.963 1.00 41.31 N ATOM 753 CA LEU A 46 -11.527 2.927 10.724 1.00 30.43 C ATOM 754 C LEU A 46 -11.494 3.555 9.334 1.00 23.41 C ATOM 755 O LEU A 46 -12.054 3.011 8.384 1.00 74.12 O ATOM 756 CB LEU A 46 -10.371 1.936 10.877 1.00 75.13 C ATOM 757 CG LEU A 46 -9.699 1.895 12.249 1.00 52.21 C ATOM 758 CD1 LEU A 46 -9.954 0.558 12.928 1.00 23.11 C ATOM 759 CD2 LEU A 46 -8.205 2.153 12.119 1.00 53.33 C ATOM 0 H LEU A 46 -12.722 1.355 11.432 1.00 41.31 H new ATOM 0 HA LEU A 46 -11.417 3.721 11.463 1.00 30.43 H new ATOM 0 HB2 LEU A 46 -10.742 0.937 10.647 1.00 75.13 H new ATOM 0 HB3 LEU A 46 -9.613 2.175 10.131 1.00 75.13 H new ATOM 0 HG LEU A 46 -10.131 2.682 12.868 1.00 52.21 H new ATOM 0 HD11 LEU A 46 -9.468 0.547 13.904 1.00 23.11 H new ATOM 0 HD12 LEU A 46 -11.027 0.413 13.055 1.00 23.11 H new ATOM 0 HD13 LEU A 46 -9.550 -0.246 12.312 1.00 23.11 H new ATOM 0 HD21 LEU A 46 -7.743 2.120 13.106 1.00 53.33 H new ATOM 0 HD22 LEU A 46 -7.758 1.389 11.483 1.00 53.33 H new ATOM 0 HD23 LEU A 46 -8.043 3.135 11.675 1.00 53.33 H new ATOM 771 N ALA A 47 -10.832 4.701 9.225 1.00 42.13 N ATOM 772 CA ALA A 47 -10.721 5.401 7.951 1.00 51.11 C ATOM 773 C ALA A 47 -9.758 4.683 7.012 1.00 72.23 C ATOM 774 O ALA A 47 -8.770 4.097 7.452 1.00 63.14 O ATOM 775 CB ALA A 47 -10.272 6.837 8.174 1.00 50.42 C ATOM 0 H ALA A 47 -10.364 5.165 10.003 1.00 42.13 H new ATOM 0 HA ALA A 47 -11.705 5.409 7.483 1.00 51.11 H new ATOM 0 HB1 ALA A 47 -10.194 7.347 7.214 1.00 50.42 H new ATOM 0 HB2 ALA A 47 -11.000 7.353 8.800 1.00 50.42 H new ATOM 0 HB3 ALA A 47 -9.300 6.842 8.668 1.00 50.42 H new ATOM 781 N GLU A 48 -10.052 4.734 5.716 1.00 74.32 N ATOM 782 CA GLU A 48 -9.212 4.087 4.716 1.00 22.20 C ATOM 783 C GLU A 48 -7.985 4.938 4.403 1.00 23.15 C ATOM 784 O GLU A 48 -6.974 4.433 3.913 1.00 55.25 O ATOM 785 CB GLU A 48 -10.010 3.833 3.435 1.00 64.51 C ATOM 786 CG GLU A 48 -10.647 5.083 2.856 1.00 55.31 C ATOM 787 CD GLU A 48 -9.935 5.580 1.613 1.00 61.20 C ATOM 788 OE1 GLU A 48 -9.664 4.754 0.715 1.00 12.14 O ATOM 789 OE2 GLU A 48 -9.648 6.792 1.536 1.00 53.51 O ATOM 0 H GLU A 48 -10.866 5.217 5.335 1.00 74.32 H new ATOM 0 HA GLU A 48 -8.877 3.133 5.123 1.00 22.20 H new ATOM 0 HB2 GLU A 48 -9.350 3.392 2.688 1.00 64.51 H new ATOM 0 HB3 GLU A 48 -10.790 3.101 3.643 1.00 64.51 H new ATOM 0 HG2 GLU A 48 -11.690 4.876 2.614 1.00 55.31 H new ATOM 0 HG3 GLU A 48 -10.645 5.870 3.610 1.00 55.31 H new ATOM 796 N SER A 49 -8.080 6.231 4.692 1.00 43.24 N ATOM 797 CA SER A 49 -6.980 7.154 4.438 1.00 42.41 C ATOM 798 C SER A 49 -5.819 6.892 5.394 1.00 74.34 C ATOM 799 O SER A 49 -4.729 7.440 5.229 1.00 31.04 O ATOM 800 CB SER A 49 -7.456 8.601 4.582 1.00 12.14 C ATOM 801 OG SER A 49 -6.571 9.496 3.933 1.00 42.43 O ATOM 0 H SER A 49 -8.907 6.664 5.102 1.00 43.24 H new ATOM 0 HA SER A 49 -6.632 6.993 3.418 1.00 42.41 H new ATOM 0 HB2 SER A 49 -8.455 8.702 4.159 1.00 12.14 H new ATOM 0 HB3 SER A 49 -7.530 8.859 5.638 1.00 12.14 H new ATOM 0 HG SER A 49 -5.646 9.255 4.148 1.00 42.43 H new ATOM 807 N LEU A 50 -6.062 6.050 6.392 1.00 75.23 N ATOM 808 CA LEU A 50 -5.039 5.712 7.375 1.00 42.35 C ATOM 809 C LEU A 50 -4.052 4.696 6.807 1.00 40.42 C ATOM 810 O LEU A 50 -3.090 4.310 7.474 1.00 53.25 O ATOM 811 CB LEU A 50 -5.685 5.158 8.645 1.00 55.01 C ATOM 812 CG LEU A 50 -6.738 6.049 9.306 1.00 32.02 C ATOM 813 CD1 LEU A 50 -7.397 5.323 10.468 1.00 73.40 C ATOM 814 CD2 LEU A 50 -6.112 7.354 9.776 1.00 32.22 C ATOM 0 H LEU A 50 -6.959 5.588 6.542 1.00 75.23 H new ATOM 0 HA LEU A 50 -4.493 6.623 7.621 1.00 42.35 H new ATOM 0 HB2 LEU A 50 -6.147 4.200 8.406 1.00 55.01 H new ATOM 0 HB3 LEU A 50 -4.898 4.959 9.372 1.00 55.01 H new ATOM 0 HG LEU A 50 -7.505 6.282 8.568 1.00 32.02 H new ATOM 0 HD11 LEU A 50 -8.143 5.972 10.926 1.00 73.40 H new ATOM 0 HD12 LEU A 50 -7.879 4.416 10.104 1.00 73.40 H new ATOM 0 HD13 LEU A 50 -6.641 5.060 11.208 1.00 73.40 H new ATOM 0 HD21 LEU A 50 -6.875 7.976 10.244 1.00 32.22 H new ATOM 0 HD22 LEU A 50 -5.325 7.140 10.499 1.00 32.22 H new ATOM 0 HD23 LEU A 50 -5.687 7.882 8.922 1.00 32.22 H new ATOM 826 N LEU A 51 -4.295 4.270 5.573 1.00 30.24 N ATOM 827 CA LEU A 51 -3.427 3.300 4.915 1.00 75.01 C ATOM 828 C LEU A 51 -2.173 3.975 4.368 1.00 31.31 C ATOM 829 O LEU A 51 -1.333 3.329 3.742 1.00 51.11 O ATOM 830 CB LEU A 51 -4.179 2.600 3.781 1.00 41.23 C ATOM 831 CG LEU A 51 -4.795 1.243 4.122 1.00 34.30 C ATOM 832 CD1 LEU A 51 -5.869 0.875 3.108 1.00 20.44 C ATOM 833 CD2 LEU A 51 -3.720 0.167 4.177 1.00 53.10 C ATOM 0 H LEU A 51 -5.085 4.581 5.008 1.00 30.24 H new ATOM 0 HA LEU A 51 -3.125 2.559 5.655 1.00 75.01 H new ATOM 0 HB2 LEU A 51 -4.974 3.261 3.437 1.00 41.23 H new ATOM 0 HB3 LEU A 51 -3.492 2.465 2.945 1.00 41.23 H new ATOM 0 HG LEU A 51 -5.260 1.313 5.105 1.00 34.30 H new ATOM 0 HD11 LEU A 51 -6.297 -0.094 3.366 1.00 20.44 H new ATOM 0 HD12 LEU A 51 -6.653 1.632 3.118 1.00 20.44 H new ATOM 0 HD13 LEU A 51 -5.427 0.823 2.113 1.00 20.44 H new ATOM 0 HD21 LEU A 51 -4.177 -0.792 4.421 1.00 53.10 H new ATOM 0 HD22 LEU A 51 -3.225 0.097 3.208 1.00 53.10 H new ATOM 0 HD23 LEU A 51 -2.987 0.424 4.941 1.00 53.10 H new ATOM 845 N GLU A 52 -2.054 5.275 4.611 1.00 0.51 N ATOM 846 CA GLU A 52 -0.902 6.037 4.144 1.00 65.33 C ATOM 847 C GLU A 52 -0.241 6.788 5.296 1.00 34.51 C ATOM 848 O GLU A 52 0.364 7.842 5.100 1.00 75.44 O ATOM 849 CB GLU A 52 -1.322 7.023 3.052 1.00 14.42 C ATOM 850 CG GLU A 52 -2.494 7.905 3.448 1.00 73.53 C ATOM 851 CD GLU A 52 -2.611 9.144 2.582 1.00 60.34 C ATOM 852 OE1 GLU A 52 -3.254 9.063 1.514 1.00 60.42 O ATOM 853 OE2 GLU A 52 -2.060 10.195 2.970 1.00 23.55 O ATOM 0 H GLU A 52 -2.741 5.823 5.129 1.00 0.51 H new ATOM 0 HA GLU A 52 -0.179 5.334 3.730 1.00 65.33 H new ATOM 0 HB2 GLU A 52 -0.471 7.656 2.798 1.00 14.42 H new ATOM 0 HB3 GLU A 52 -1.585 6.466 2.153 1.00 14.42 H new ATOM 0 HG2 GLU A 52 -3.417 7.329 3.378 1.00 73.53 H new ATOM 0 HG3 GLU A 52 -2.383 8.204 4.490 1.00 73.53 H new ATOM 860 N SER A 53 -0.364 6.238 6.500 1.00 25.21 N ATOM 861 CA SER A 53 0.217 6.857 7.686 1.00 73.33 C ATOM 862 C SER A 53 0.633 5.799 8.702 1.00 10.14 C ATOM 863 O SER A 53 -0.090 4.832 8.943 1.00 74.14 O ATOM 864 CB SER A 53 -0.783 7.825 8.322 1.00 43.12 C ATOM 865 OG SER A 53 -0.788 7.699 9.734 1.00 71.32 O ATOM 0 H SER A 53 -0.861 5.365 6.680 1.00 25.21 H new ATOM 0 HA SER A 53 1.105 7.410 7.380 1.00 73.33 H new ATOM 0 HB2 SER A 53 -0.529 8.848 8.046 1.00 43.12 H new ATOM 0 HB3 SER A 53 -1.782 7.629 7.933 1.00 43.12 H new ATOM 0 HG SER A 53 -1.434 8.329 10.116 1.00 71.32 H new ATOM 871 N LYS A 54 1.806 5.989 9.297 1.00 31.43 N ATOM 872 CA LYS A 54 2.322 5.052 10.289 1.00 12.53 C ATOM 873 C LYS A 54 1.384 4.959 11.489 1.00 54.44 C ATOM 874 O LYS A 54 0.877 3.885 11.809 1.00 65.31 O ATOM 875 CB LYS A 54 3.716 5.484 10.751 1.00 40.12 C ATOM 876 CG LYS A 54 4.464 4.406 11.517 1.00 32.14 C ATOM 877 CD LYS A 54 5.964 4.643 11.494 1.00 41.43 C ATOM 878 CE LYS A 54 6.412 5.492 12.674 1.00 41.33 C ATOM 879 NZ LYS A 54 6.210 4.789 13.970 1.00 30.23 N ATOM 0 H LYS A 54 2.418 6.784 9.110 1.00 31.43 H new ATOM 0 HA LYS A 54 2.388 4.068 9.824 1.00 12.53 H new ATOM 0 HB2 LYS A 54 4.304 5.774 9.881 1.00 40.12 H new ATOM 0 HB3 LYS A 54 3.623 6.368 11.382 1.00 40.12 H new ATOM 0 HG2 LYS A 54 4.114 4.383 12.549 1.00 32.14 H new ATOM 0 HG3 LYS A 54 4.242 3.431 11.084 1.00 32.14 H new ATOM 0 HD2 LYS A 54 6.485 3.686 11.514 1.00 41.43 H new ATOM 0 HD3 LYS A 54 6.241 5.137 10.563 1.00 41.43 H new ATOM 0 HE2 LYS A 54 7.466 5.747 12.559 1.00 41.33 H new ATOM 0 HE3 LYS A 54 5.856 6.430 12.679 1.00 41.33 H new ATOM 0 HZ1 LYS A 54 6.885 5.154 14.672 1.00 30.23 H new ATOM 0 HZ2 LYS A 54 5.239 4.952 14.306 1.00 30.23 H new ATOM 0 HZ3 LYS A 54 6.364 3.769 13.839 1.00 30.23 H new ATOM 893 N GLU A 55 1.157 6.092 12.146 1.00 32.01 N ATOM 894 CA GLU A 55 0.278 6.136 13.309 1.00 4.13 C ATOM 895 C GLU A 55 -1.069 5.492 12.999 1.00 52.33 C ATOM 896 O GLU A 55 -1.625 4.762 13.818 1.00 0.11 O ATOM 897 CB GLU A 55 0.071 7.582 13.765 1.00 4.10 C ATOM 898 CG GLU A 55 0.080 7.751 15.276 1.00 74.13 C ATOM 899 CD GLU A 55 -1.308 7.974 15.845 1.00 74.13 C ATOM 900 OE1 GLU A 55 -2.132 7.037 15.788 1.00 42.34 O ATOM 901 OE2 GLU A 55 -1.571 9.087 16.347 1.00 22.12 O ATOM 0 H GLU A 55 1.569 6.990 11.893 1.00 32.01 H new ATOM 0 HA GLU A 55 0.753 5.573 14.112 1.00 4.13 H new ATOM 0 HB2 GLU A 55 0.854 8.206 13.333 1.00 4.10 H new ATOM 0 HB3 GLU A 55 -0.879 7.945 13.373 1.00 4.10 H new ATOM 0 HG2 GLU A 55 0.519 6.865 15.735 1.00 74.13 H new ATOM 0 HG3 GLU A 55 0.717 8.595 15.540 1.00 74.13 H new ATOM 908 N GLY A 56 -1.591 5.769 11.807 1.00 11.13 N ATOM 909 CA GLY A 56 -2.869 5.210 11.408 1.00 15.25 C ATOM 910 C GLY A 56 -2.812 3.708 11.221 1.00 65.53 C ATOM 911 O GLY A 56 -3.722 2.988 11.634 1.00 25.35 O ATOM 0 H GLY A 56 -1.151 6.371 11.111 1.00 11.13 H new ATOM 0 HA2 GLY A 56 -3.619 5.451 12.162 1.00 15.25 H new ATOM 0 HA3 GLY A 56 -3.191 5.677 10.477 1.00 15.25 H new ATOM 915 N CYS A 57 -1.742 3.231 10.594 1.00 4.41 N ATOM 916 CA CYS A 57 -1.570 1.803 10.351 1.00 41.40 C ATOM 917 C CYS A 57 -1.464 1.036 11.665 1.00 73.14 C ATOM 918 O CYS A 57 -2.016 -0.056 11.802 1.00 5.52 O ATOM 919 CB CYS A 57 -0.323 1.557 9.500 1.00 23.25 C ATOM 920 SG CYS A 57 -0.669 1.274 7.748 1.00 42.23 S ATOM 0 H CYS A 57 -0.980 3.813 10.245 1.00 4.41 H new ATOM 0 HA CYS A 57 -2.446 1.443 9.812 1.00 41.40 H new ATOM 0 HB2 CYS A 57 0.343 2.415 9.594 1.00 23.25 H new ATOM 0 HB3 CYS A 57 0.211 0.694 9.898 1.00 23.25 H new ATOM 0 HG CYS A 57 -0.257 2.293 7.054 1.00 42.23 H new ATOM 926 N GLN A 58 -0.751 1.615 12.626 1.00 42.04 N ATOM 927 CA GLN A 58 -0.571 0.983 13.928 1.00 42.51 C ATOM 928 C GLN A 58 -1.917 0.718 14.594 1.00 12.12 C ATOM 929 O GLN A 58 -2.118 -0.324 15.218 1.00 22.53 O ATOM 930 CB GLN A 58 0.293 1.866 14.831 1.00 13.32 C ATOM 931 CG GLN A 58 1.461 1.128 15.465 1.00 44.44 C ATOM 932 CD GLN A 58 2.551 2.066 15.945 1.00 31.25 C ATOM 933 OE1 GLN A 58 3.552 2.276 15.261 1.00 54.23 O ATOM 934 NE2 GLN A 58 2.363 2.634 17.131 1.00 32.22 N ATOM 0 H GLN A 58 -0.289 2.519 12.528 1.00 42.04 H new ATOM 0 HA GLN A 58 -0.067 0.029 13.775 1.00 42.51 H new ATOM 0 HB2 GLN A 58 0.676 2.703 14.247 1.00 13.32 H new ATOM 0 HB3 GLN A 58 -0.331 2.286 15.619 1.00 13.32 H new ATOM 0 HG2 GLN A 58 1.099 0.537 16.306 1.00 44.44 H new ATOM 0 HG3 GLN A 58 1.881 0.429 14.741 1.00 44.44 H new ATOM 0 HE21 GLN A 58 1.518 2.432 17.665 1.00 32.22 H new ATOM 0 HE22 GLN A 58 3.064 3.272 17.508 1.00 32.22 H new ATOM 943 N LYS A 59 -2.836 1.667 14.459 1.00 55.35 N ATOM 944 CA LYS A 59 -4.164 1.535 15.047 1.00 53.51 C ATOM 945 C LYS A 59 -4.959 0.431 14.357 1.00 63.02 C ATOM 946 O LYS A 59 -5.888 -0.132 14.935 1.00 3.32 O ATOM 947 CB LYS A 59 -4.922 2.862 14.946 1.00 74.34 C ATOM 948 CG LYS A 59 -5.312 3.443 16.294 1.00 44.25 C ATOM 949 CD LYS A 59 -4.360 4.548 16.721 1.00 3.02 C ATOM 950 CE LYS A 59 -3.995 4.432 18.193 1.00 70.31 C ATOM 951 NZ LYS A 59 -3.683 5.758 18.794 1.00 75.42 N ATOM 0 H LYS A 59 -2.686 2.537 13.947 1.00 55.35 H new ATOM 0 HA LYS A 59 -4.044 1.269 16.097 1.00 53.51 H new ATOM 0 HB2 LYS A 59 -4.304 3.585 14.413 1.00 74.34 H new ATOM 0 HB3 LYS A 59 -5.822 2.712 14.350 1.00 74.34 H new ATOM 0 HG2 LYS A 59 -6.327 3.836 16.242 1.00 44.25 H new ATOM 0 HG3 LYS A 59 -5.314 2.653 17.045 1.00 44.25 H new ATOM 0 HD2 LYS A 59 -3.454 4.503 16.116 1.00 3.02 H new ATOM 0 HD3 LYS A 59 -4.820 5.518 16.535 1.00 3.02 H new ATOM 0 HE2 LYS A 59 -4.820 3.972 18.737 1.00 70.31 H new ATOM 0 HE3 LYS A 59 -3.134 3.772 18.303 1.00 70.31 H new ATOM 0 HZ1 LYS A 59 -3.439 5.636 19.798 1.00 75.42 H new ATOM 0 HZ2 LYS A 59 -2.879 6.186 18.292 1.00 75.42 H new ATOM 0 HZ3 LYS A 59 -4.513 6.380 18.713 1.00 75.42 H new ATOM 965 N ILE A 60 -4.585 0.125 13.119 1.00 42.15 N ATOM 966 CA ILE A 60 -5.261 -0.914 12.352 1.00 31.35 C ATOM 967 C ILE A 60 -4.834 -2.304 12.815 1.00 51.43 C ATOM 968 O ILE A 60 -5.657 -3.213 12.923 1.00 31.32 O ATOM 969 CB ILE A 60 -4.976 -0.776 10.845 1.00 20.43 C ATOM 970 CG1 ILE A 60 -5.467 0.579 10.333 1.00 62.43 C ATOM 971 CG2 ILE A 60 -5.638 -1.911 10.075 1.00 25.04 C ATOM 972 CD1 ILE A 60 -4.860 0.979 9.005 1.00 32.53 C ATOM 0 H ILE A 60 -3.818 0.582 12.626 1.00 42.15 H new ATOM 0 HA ILE A 60 -6.330 -0.789 12.524 1.00 31.35 H new ATOM 0 HB ILE A 60 -3.899 -0.834 10.687 1.00 20.43 H new ATOM 0 HG12 ILE A 60 -6.552 0.549 10.233 1.00 62.43 H new ATOM 0 HG13 ILE A 60 -5.236 1.344 11.074 1.00 62.43 H new ATOM 0 HG21 ILE A 60 -5.428 -1.800 9.011 1.00 25.04 H new ATOM 0 HG22 ILE A 60 -5.245 -2.866 10.425 1.00 25.04 H new ATOM 0 HG23 ILE A 60 -6.715 -1.881 10.237 1.00 25.04 H new ATOM 0 HD11 ILE A 60 -5.253 1.950 8.703 1.00 32.53 H new ATOM 0 HD12 ILE A 60 -3.776 1.041 9.104 1.00 32.53 H new ATOM 0 HD13 ILE A 60 -5.113 0.234 8.250 1.00 32.53 H new ATOM 984 N LEU A 61 -3.543 -2.459 13.087 1.00 32.11 N ATOM 985 CA LEU A 61 -3.007 -3.738 13.540 1.00 63.13 C ATOM 986 C LEU A 61 -3.634 -4.153 14.867 1.00 42.21 C ATOM 987 O LEU A 61 -3.956 -5.323 15.075 1.00 24.34 O ATOM 988 CB LEU A 61 -1.486 -3.651 13.687 1.00 72.31 C ATOM 989 CG LEU A 61 -0.692 -3.530 12.386 1.00 23.10 C ATOM 990 CD1 LEU A 61 0.796 -3.407 12.678 1.00 54.30 C ATOM 991 CD2 LEU A 61 -0.963 -4.723 11.482 1.00 62.13 C ATOM 0 H LEU A 61 -2.849 -1.716 13.002 1.00 32.11 H new ATOM 0 HA LEU A 61 -3.252 -4.492 12.792 1.00 63.13 H new ATOM 0 HB2 LEU A 61 -1.250 -2.791 14.314 1.00 72.31 H new ATOM 0 HB3 LEU A 61 -1.141 -4.538 14.219 1.00 72.31 H new ATOM 0 HG LEU A 61 -1.016 -2.627 11.868 1.00 23.10 H new ATOM 0 HD11 LEU A 61 1.345 -3.322 11.740 1.00 54.30 H new ATOM 0 HD12 LEU A 61 0.975 -2.520 13.285 1.00 54.30 H new ATOM 0 HD13 LEU A 61 1.135 -4.291 13.218 1.00 54.30 H new ATOM 0 HD21 LEU A 61 -0.389 -4.619 10.561 1.00 62.13 H new ATOM 0 HD22 LEU A 61 -0.668 -5.640 11.992 1.00 62.13 H new ATOM 0 HD23 LEU A 61 -2.026 -4.765 11.245 1.00 62.13 H new ATOM 1003 N THR A 62 -3.808 -3.185 15.761 1.00 21.44 N ATOM 1004 CA THR A 62 -4.399 -3.449 17.067 1.00 31.25 C ATOM 1005 C THR A 62 -5.860 -3.865 16.937 1.00 64.43 C ATOM 1006 O THR A 62 -6.387 -4.591 17.780 1.00 45.23 O ATOM 1007 CB THR A 62 -4.308 -2.215 17.985 1.00 71.33 C ATOM 1008 OG1 THR A 62 -4.087 -2.626 19.338 1.00 13.13 O ATOM 1009 CG2 THR A 62 -5.580 -1.385 17.903 1.00 73.14 C ATOM 0 H THR A 62 -3.548 -2.211 15.605 1.00 21.44 H new ATOM 0 HA THR A 62 -3.830 -4.266 17.511 1.00 31.25 H new ATOM 0 HB THR A 62 -3.471 -1.602 17.651 1.00 71.33 H new ATOM 0 HG1 THR A 62 -4.029 -1.836 19.915 1.00 13.13 H new ATOM 0 HG21 THR A 62 -5.493 -0.519 18.559 1.00 73.14 H new ATOM 0 HG22 THR A 62 -5.730 -1.049 16.877 1.00 73.14 H new ATOM 0 HG23 THR A 62 -6.431 -1.991 18.214 1.00 73.14 H new ATOM 1017 N VAL A 63 -6.509 -3.401 15.874 1.00 22.31 N ATOM 1018 CA VAL A 63 -7.910 -3.726 15.631 1.00 23.43 C ATOM 1019 C VAL A 63 -8.050 -5.091 14.966 1.00 3.01 C ATOM 1020 O VAL A 63 -8.994 -5.834 15.239 1.00 0.12 O ATOM 1021 CB VAL A 63 -8.588 -2.664 14.747 1.00 30.33 C ATOM 1022 CG1 VAL A 63 -10.032 -3.049 14.461 1.00 5.12 C ATOM 1023 CG2 VAL A 63 -8.513 -1.295 15.406 1.00 32.13 C ATOM 0 H VAL A 63 -6.087 -2.799 15.167 1.00 22.31 H new ATOM 0 HA VAL A 63 -8.403 -3.746 16.603 1.00 23.43 H new ATOM 0 HB VAL A 63 -8.056 -2.614 13.797 1.00 30.33 H new ATOM 0 HG11 VAL A 63 -10.495 -2.286 13.835 1.00 5.12 H new ATOM 0 HG12 VAL A 63 -10.057 -4.008 13.943 1.00 5.12 H new ATOM 0 HG13 VAL A 63 -10.580 -3.129 15.400 1.00 5.12 H new ATOM 0 HG21 VAL A 63 -8.997 -0.557 14.767 1.00 32.13 H new ATOM 0 HG22 VAL A 63 -9.019 -1.327 16.371 1.00 32.13 H new ATOM 0 HG23 VAL A 63 -7.469 -1.019 15.553 1.00 32.13 H new ATOM 1033 N LEU A 64 -7.104 -5.416 14.092 1.00 41.10 N ATOM 1034 CA LEU A 64 -7.120 -6.693 13.386 1.00 14.12 C ATOM 1035 C LEU A 64 -6.517 -7.798 14.247 1.00 35.24 C ATOM 1036 O LEU A 64 -6.757 -8.983 14.012 1.00 20.00 O ATOM 1037 CB LEU A 64 -6.352 -6.580 12.068 1.00 31.24 C ATOM 1038 CG LEU A 64 -6.894 -5.567 11.060 1.00 1.52 C ATOM 1039 CD1 LEU A 64 -5.945 -5.429 9.879 1.00 73.14 C ATOM 1040 CD2 LEU A 64 -8.282 -5.974 10.588 1.00 63.33 C ATOM 0 H LEU A 64 -6.316 -4.813 13.855 1.00 41.10 H new ATOM 0 HA LEU A 64 -8.158 -6.949 13.173 1.00 14.12 H new ATOM 0 HB2 LEU A 64 -5.318 -6.320 12.294 1.00 31.24 H new ATOM 0 HB3 LEU A 64 -6.337 -7.561 11.594 1.00 31.24 H new ATOM 0 HG LEU A 64 -6.970 -4.598 11.553 1.00 1.52 H new ATOM 0 HD11 LEU A 64 -6.347 -4.704 9.172 1.00 73.14 H new ATOM 0 HD12 LEU A 64 -4.971 -5.090 10.232 1.00 73.14 H new ATOM 0 HD13 LEU A 64 -5.835 -6.395 9.385 1.00 73.14 H new ATOM 0 HD21 LEU A 64 -8.652 -5.241 9.871 1.00 63.33 H new ATOM 0 HD22 LEU A 64 -8.232 -6.954 10.113 1.00 63.33 H new ATOM 0 HD23 LEU A 64 -8.958 -6.019 11.442 1.00 63.33 H new ATOM 1052 N ASP A 65 -5.735 -7.403 15.245 1.00 20.03 N ATOM 1053 CA ASP A 65 -5.100 -8.360 16.144 1.00 62.30 C ATOM 1054 C ASP A 65 -6.126 -9.334 16.714 1.00 34.32 C ATOM 1055 O ASP A 65 -6.042 -10.547 16.521 1.00 62.45 O ATOM 1056 CB ASP A 65 -4.387 -7.629 17.281 1.00 44.40 C ATOM 1057 CG ASP A 65 -4.399 -8.417 18.576 1.00 22.21 C ATOM 1058 OD1 ASP A 65 -4.034 -9.612 18.547 1.00 41.43 O ATOM 1059 OD2 ASP A 65 -4.773 -7.841 19.618 1.00 61.22 O ATOM 0 H ASP A 65 -5.525 -6.427 15.452 1.00 20.03 H new ATOM 0 HA ASP A 65 -4.366 -8.927 15.571 1.00 62.30 H new ATOM 0 HB2 ASP A 65 -3.356 -7.430 16.990 1.00 44.40 H new ATOM 0 HB3 ASP A 65 -4.865 -6.663 17.443 1.00 44.40 H new ATOM 1064 N PRO A 66 -7.119 -8.793 17.436 1.00 74.34 N ATOM 1065 CA PRO A 66 -8.181 -9.596 18.049 1.00 71.52 C ATOM 1066 C PRO A 66 -9.127 -10.194 17.014 1.00 60.22 C ATOM 1067 O PRO A 66 -9.847 -11.152 17.297 1.00 1.21 O ATOM 1068 CB PRO A 66 -8.923 -8.589 18.932 1.00 4.01 C ATOM 1069 CG PRO A 66 -8.662 -7.266 18.298 1.00 32.43 C ATOM 1070 CD PRO A 66 -7.283 -7.355 17.706 1.00 20.04 C ATOM 0 HA PRO A 66 -7.781 -10.450 18.596 1.00 71.52 H new ATOM 0 HB2 PRO A 66 -9.990 -8.806 18.970 1.00 4.01 H new ATOM 0 HB3 PRO A 66 -8.556 -8.616 19.958 1.00 4.01 H new ATOM 0 HG2 PRO A 66 -9.403 -7.049 17.529 1.00 32.43 H new ATOM 0 HG3 PRO A 66 -8.720 -6.463 19.033 1.00 32.43 H new ATOM 0 HD2 PRO A 66 -7.198 -6.763 16.795 1.00 20.04 H new ATOM 0 HD3 PRO A 66 -6.525 -6.987 18.397 1.00 20.04 H new ATOM 1078 N MET A 67 -9.121 -9.624 15.813 1.00 11.22 N ATOM 1079 CA MET A 67 -9.979 -10.103 14.736 1.00 60.22 C ATOM 1080 C MET A 67 -9.406 -11.370 14.108 1.00 74.21 C ATOM 1081 O MET A 67 -10.138 -12.174 13.531 1.00 72.20 O ATOM 1082 CB MET A 67 -10.144 -9.020 13.667 1.00 62.20 C ATOM 1083 CG MET A 67 -11.564 -8.487 13.558 1.00 45.24 C ATOM 1084 SD MET A 67 -12.074 -7.564 15.020 1.00 43.43 S ATOM 1085 CE MET A 67 -13.567 -8.442 15.471 1.00 2.14 C ATOM 0 H MET A 67 -8.532 -8.830 15.562 1.00 11.22 H new ATOM 0 HA MET A 67 -10.956 -10.338 15.159 1.00 60.22 H new ATOM 0 HB2 MET A 67 -9.470 -8.193 13.892 1.00 62.20 H new ATOM 0 HB3 MET A 67 -9.841 -9.425 12.701 1.00 62.20 H new ATOM 0 HG2 MET A 67 -11.640 -7.843 12.682 1.00 45.24 H new ATOM 0 HG3 MET A 67 -12.249 -9.320 13.402 1.00 45.24 H new ATOM 0 HE1 MET A 67 -14.001 -7.988 16.361 1.00 2.14 H new ATOM 0 HE2 MET A 67 -14.282 -8.389 14.650 1.00 2.14 H new ATOM 0 HE3 MET A 67 -13.328 -9.485 15.676 1.00 2.14 H new ATOM 1095 N VAL A 68 -8.093 -11.540 14.223 1.00 31.50 N ATOM 1096 CA VAL A 68 -7.423 -12.710 13.667 1.00 4.05 C ATOM 1097 C VAL A 68 -8.044 -14.000 14.190 1.00 32.32 C ATOM 1098 O VAL A 68 -8.517 -14.844 13.427 1.00 1.55 O ATOM 1099 CB VAL A 68 -5.919 -12.707 14.002 1.00 5.23 C ATOM 1100 CG1 VAL A 68 -5.383 -14.129 14.071 1.00 53.41 C ATOM 1101 CG2 VAL A 68 -5.147 -11.887 12.978 1.00 73.01 C ATOM 0 H VAL A 68 -7.472 -10.883 14.696 1.00 31.50 H new ATOM 0 HA VAL A 68 -7.548 -12.662 12.585 1.00 4.05 H new ATOM 0 HB VAL A 68 -5.784 -12.246 14.980 1.00 5.23 H new ATOM 0 HG11 VAL A 68 -4.319 -14.106 14.309 1.00 53.41 H new ATOM 0 HG12 VAL A 68 -5.916 -14.682 14.845 1.00 53.41 H new ATOM 0 HG13 VAL A 68 -5.529 -14.620 13.109 1.00 53.41 H new ATOM 0 HG21 VAL A 68 -4.087 -11.896 13.230 1.00 73.01 H new ATOM 0 HG22 VAL A 68 -5.288 -12.317 11.986 1.00 73.01 H new ATOM 0 HG23 VAL A 68 -5.513 -10.860 12.983 1.00 73.01 H new ATOM 1111 N PRO A 69 -8.047 -14.160 15.521 1.00 4.54 N ATOM 1112 CA PRO A 69 -8.610 -15.345 16.176 1.00 1.21 C ATOM 1113 C PRO A 69 -10.130 -15.399 16.069 1.00 60.03 C ATOM 1114 O PRO A 69 -10.765 -16.325 16.574 1.00 14.11 O ATOM 1115 CB PRO A 69 -8.182 -15.179 17.636 1.00 14.24 C ATOM 1116 CG PRO A 69 -7.996 -13.712 17.813 1.00 0.32 C ATOM 1117 CD PRO A 69 -7.501 -13.194 16.491 1.00 20.52 C ATOM 0 HA PRO A 69 -8.260 -16.270 15.717 1.00 1.21 H new ATOM 0 HB2 PRO A 69 -8.940 -15.567 18.317 1.00 14.24 H new ATOM 0 HB3 PRO A 69 -7.260 -15.722 17.842 1.00 14.24 H new ATOM 0 HG2 PRO A 69 -8.933 -13.231 18.094 1.00 0.32 H new ATOM 0 HG3 PRO A 69 -7.279 -13.503 18.607 1.00 0.32 H new ATOM 0 HD2 PRO A 69 -7.858 -12.183 16.296 1.00 20.52 H new ATOM 0 HD3 PRO A 69 -6.412 -13.160 16.455 1.00 20.52 H new ATOM 1125 N THR A 70 -10.708 -14.402 15.407 1.00 71.22 N ATOM 1126 CA THR A 70 -12.154 -14.336 15.233 1.00 20.01 C ATOM 1127 C THR A 70 -12.519 -13.940 13.808 1.00 61.34 C ATOM 1128 O THR A 70 -13.520 -13.263 13.578 1.00 62.41 O ATOM 1129 CB THR A 70 -12.791 -13.332 16.212 1.00 31.42 C ATOM 1130 OG1 THR A 70 -12.011 -13.253 17.410 1.00 41.42 O ATOM 1131 CG2 THR A 70 -14.216 -13.741 16.556 1.00 73.33 C ATOM 0 H THR A 70 -10.197 -13.628 14.982 1.00 71.22 H new ATOM 0 HA THR A 70 -12.543 -15.333 15.441 1.00 20.01 H new ATOM 0 HB THR A 70 -12.816 -12.355 15.730 1.00 31.42 H new ATOM 0 HG1 THR A 70 -11.328 -12.557 17.310 1.00 41.42 H new ATOM 0 HG21 THR A 70 -14.645 -13.017 17.249 1.00 73.33 H new ATOM 0 HG22 THR A 70 -14.815 -13.772 15.646 1.00 73.33 H new ATOM 0 HG23 THR A 70 -14.209 -14.727 17.020 1.00 73.33 H new ATOM 1139 N GLY A 71 -11.701 -14.369 12.851 1.00 31.32 N ATOM 1140 CA GLY A 71 -11.956 -14.050 11.458 1.00 33.54 C ATOM 1141 C GLY A 71 -11.516 -15.156 10.520 1.00 1.02 C ATOM 1142 O GLY A 71 -11.012 -16.190 10.961 1.00 51.31 O ATOM 0 H GLY A 71 -10.866 -14.932 13.016 1.00 31.32 H new ATOM 0 HA2 GLY A 71 -13.021 -13.863 11.320 1.00 33.54 H new ATOM 0 HA3 GLY A 71 -11.435 -13.129 11.198 1.00 33.54 H new ATOM 1146 N SER A 72 -11.707 -14.941 9.223 1.00 42.44 N ATOM 1147 CA SER A 72 -11.331 -15.930 8.220 1.00 54.22 C ATOM 1148 C SER A 72 -10.255 -15.379 7.289 1.00 12.55 C ATOM 1149 O SER A 72 -9.664 -14.332 7.557 1.00 34.32 O ATOM 1150 CB SER A 72 -12.556 -16.354 7.406 1.00 0.33 C ATOM 1151 OG SER A 72 -12.712 -15.540 6.257 1.00 24.13 O ATOM 0 H SER A 72 -12.120 -14.090 8.842 1.00 42.44 H new ATOM 0 HA SER A 72 -10.928 -16.800 8.738 1.00 54.22 H new ATOM 0 HB2 SER A 72 -12.454 -17.397 7.105 1.00 0.33 H new ATOM 0 HB3 SER A 72 -13.450 -16.287 8.027 1.00 0.33 H new ATOM 0 HG SER A 72 -13.500 -15.832 5.753 1.00 24.13 H new ATOM 1157 N GLU A 73 -10.006 -16.091 6.195 1.00 41.02 N ATOM 1158 CA GLU A 73 -9.000 -15.673 5.224 1.00 34.12 C ATOM 1159 C GLU A 73 -9.221 -14.223 4.802 1.00 73.53 C ATOM 1160 O GLU A 73 -8.278 -13.435 4.734 1.00 31.54 O ATOM 1161 CB GLU A 73 -9.035 -16.585 3.996 1.00 11.33 C ATOM 1162 CG GLU A 73 -8.796 -18.050 4.319 1.00 74.24 C ATOM 1163 CD GLU A 73 -8.801 -18.928 3.082 1.00 15.55 C ATOM 1164 OE1 GLU A 73 -9.728 -18.787 2.257 1.00 23.22 O ATOM 1165 OE2 GLU A 73 -7.877 -19.756 2.940 1.00 2.42 O ATOM 0 H GLU A 73 -10.486 -16.959 5.958 1.00 41.02 H new ATOM 0 HA GLU A 73 -8.021 -15.750 5.697 1.00 34.12 H new ATOM 0 HB2 GLU A 73 -10.003 -16.483 3.506 1.00 11.33 H new ATOM 0 HB3 GLU A 73 -8.280 -16.251 3.284 1.00 11.33 H new ATOM 0 HG2 GLU A 73 -7.839 -18.154 4.830 1.00 74.24 H new ATOM 0 HG3 GLU A 73 -9.565 -18.396 5.009 1.00 74.24 H new ATOM 1172 N ASN A 74 -10.473 -13.880 4.519 1.00 62.11 N ATOM 1173 CA ASN A 74 -10.819 -12.526 4.102 1.00 45.21 C ATOM 1174 C ASN A 74 -10.321 -11.500 5.116 1.00 21.24 C ATOM 1175 O ASN A 74 -10.066 -10.345 4.773 1.00 30.32 O ATOM 1176 CB ASN A 74 -12.333 -12.393 3.927 1.00 65.34 C ATOM 1177 CG ASN A 74 -12.926 -13.543 3.135 1.00 1.30 C ATOM 1178 OD1 ASN A 74 -13.399 -14.526 3.705 1.00 5.33 O ATOM 1179 ND2 ASN A 74 -12.903 -13.423 1.812 1.00 21.10 N ATOM 0 H ASN A 74 -11.265 -14.521 4.571 1.00 62.11 H new ATOM 0 HA ASN A 74 -10.332 -12.333 3.146 1.00 45.21 H new ATOM 0 HB2 ASN A 74 -12.807 -12.348 4.908 1.00 65.34 H new ATOM 0 HB3 ASN A 74 -12.557 -11.454 3.421 1.00 65.34 H new ATOM 0 HD21 ASN A 74 -13.288 -14.164 1.226 1.00 21.10 H new ATOM 0 HD22 ASN A 74 -12.501 -12.590 1.382 1.00 21.10 H new ATOM 1186 N LEU A 75 -10.185 -11.931 6.365 1.00 3.41 N ATOM 1187 CA LEU A 75 -9.717 -11.051 7.431 1.00 61.33 C ATOM 1188 C LEU A 75 -8.204 -11.154 7.597 1.00 4.44 C ATOM 1189 O LEU A 75 -7.507 -10.142 7.676 1.00 71.41 O ATOM 1190 CB LEU A 75 -10.411 -11.400 8.749 1.00 50.34 C ATOM 1191 CG LEU A 75 -10.156 -10.444 9.915 1.00 61.15 C ATOM 1192 CD1 LEU A 75 -11.408 -10.294 10.765 1.00 44.41 C ATOM 1193 CD2 LEU A 75 -8.990 -10.935 10.761 1.00 31.23 C ATOM 0 H LEU A 75 -10.392 -12.884 6.665 1.00 3.41 H new ATOM 0 HA LEU A 75 -9.965 -10.026 7.157 1.00 61.33 H new ATOM 0 HB2 LEU A 75 -11.485 -11.445 8.570 1.00 50.34 H new ATOM 0 HB3 LEU A 75 -10.096 -12.399 9.049 1.00 50.34 H new ATOM 0 HG LEU A 75 -9.898 -9.466 9.509 1.00 61.15 H new ATOM 0 HD11 LEU A 75 -11.208 -9.610 11.590 1.00 44.41 H new ATOM 0 HD12 LEU A 75 -12.218 -9.897 10.153 1.00 44.41 H new ATOM 0 HD13 LEU A 75 -11.697 -11.267 11.162 1.00 44.41 H new ATOM 0 HD21 LEU A 75 -8.822 -10.243 11.586 1.00 31.23 H new ATOM 0 HD22 LEU A 75 -9.219 -11.924 11.158 1.00 31.23 H new ATOM 0 HD23 LEU A 75 -8.092 -10.990 10.146 1.00 31.23 H new ATOM 1205 N LYS A 76 -7.702 -12.383 7.648 1.00 21.53 N ATOM 1206 CA LYS A 76 -6.272 -12.621 7.801 1.00 4.43 C ATOM 1207 C LYS A 76 -5.487 -11.964 6.669 1.00 12.33 C ATOM 1208 O LYS A 76 -4.368 -11.493 6.869 1.00 62.12 O ATOM 1209 CB LYS A 76 -5.983 -14.122 7.832 1.00 35.41 C ATOM 1210 CG LYS A 76 -5.866 -14.691 9.236 1.00 63.24 C ATOM 1211 CD LYS A 76 -6.477 -16.080 9.327 1.00 0.44 C ATOM 1212 CE LYS A 76 -6.403 -16.628 10.745 1.00 43.33 C ATOM 1213 NZ LYS A 76 -6.303 -18.113 10.759 1.00 21.34 N ATOM 0 H LYS A 76 -8.266 -13.231 7.585 1.00 21.53 H new ATOM 0 HA LYS A 76 -5.955 -12.178 8.745 1.00 4.43 H new ATOM 0 HB2 LYS A 76 -6.777 -14.647 7.301 1.00 35.41 H new ATOM 0 HB3 LYS A 76 -5.056 -14.316 7.292 1.00 35.41 H new ATOM 0 HG2 LYS A 76 -4.816 -14.735 9.526 1.00 63.24 H new ATOM 0 HG3 LYS A 76 -6.364 -14.026 9.942 1.00 63.24 H new ATOM 0 HD2 LYS A 76 -7.517 -16.043 9.003 1.00 0.44 H new ATOM 0 HD3 LYS A 76 -5.955 -16.754 8.647 1.00 0.44 H new ATOM 0 HE2 LYS A 76 -5.540 -16.201 11.255 1.00 43.33 H new ATOM 0 HE3 LYS A 76 -7.288 -16.318 11.301 1.00 43.33 H new ATOM 0 HZ1 LYS A 76 -6.255 -18.448 11.742 1.00 21.34 H new ATOM 0 HZ2 LYS A 76 -7.139 -18.522 10.294 1.00 21.34 H new ATOM 0 HZ3 LYS A 76 -5.445 -18.408 10.250 1.00 21.34 H new ATOM 1227 N SER A 77 -6.082 -11.935 5.482 1.00 73.51 N ATOM 1228 CA SER A 77 -5.438 -11.339 4.317 1.00 30.11 C ATOM 1229 C SER A 77 -5.056 -9.888 4.593 1.00 53.35 C ATOM 1230 O SER A 77 -3.954 -9.449 4.257 1.00 31.53 O ATOM 1231 CB SER A 77 -6.364 -11.413 3.102 1.00 0.31 C ATOM 1232 OG SER A 77 -5.968 -12.450 2.220 1.00 1.30 O ATOM 0 H SER A 77 -7.010 -12.317 5.301 1.00 73.51 H new ATOM 0 HA SER A 77 -4.529 -11.903 4.106 1.00 30.11 H new ATOM 0 HB2 SER A 77 -7.389 -11.584 3.432 1.00 0.31 H new ATOM 0 HB3 SER A 77 -6.354 -10.459 2.575 1.00 0.31 H new ATOM 0 HG SER A 77 -6.577 -12.477 1.453 1.00 1.30 H new ATOM 1238 N LEU A 78 -5.973 -9.147 5.204 1.00 42.31 N ATOM 1239 CA LEU A 78 -5.734 -7.744 5.524 1.00 1.34 C ATOM 1240 C LEU A 78 -4.629 -7.605 6.567 1.00 72.11 C ATOM 1241 O LEU A 78 -3.739 -6.765 6.434 1.00 3.35 O ATOM 1242 CB LEU A 78 -7.019 -7.091 6.037 1.00 2.23 C ATOM 1243 CG LEU A 78 -6.874 -5.680 6.605 1.00 12.25 C ATOM 1244 CD1 LEU A 78 -6.589 -4.682 5.493 1.00 1.04 C ATOM 1245 CD2 LEU A 78 -8.127 -5.283 7.372 1.00 12.42 C ATOM 0 H LEU A 78 -6.889 -9.494 5.488 1.00 42.31 H new ATOM 0 HA LEU A 78 -5.415 -7.238 4.613 1.00 1.34 H new ATOM 0 HB2 LEU A 78 -7.738 -7.059 5.219 1.00 2.23 H new ATOM 0 HB3 LEU A 78 -7.444 -7.731 6.811 1.00 2.23 H new ATOM 0 HG LEU A 78 -6.031 -5.673 7.296 1.00 12.25 H new ATOM 0 HD11 LEU A 78 -6.489 -3.683 5.917 1.00 1.04 H new ATOM 0 HD12 LEU A 78 -5.663 -4.956 4.987 1.00 1.04 H new ATOM 0 HD13 LEU A 78 -7.410 -4.691 4.776 1.00 1.04 H new ATOM 0 HD21 LEU A 78 -8.006 -4.275 7.770 1.00 12.42 H new ATOM 0 HD22 LEU A 78 -8.987 -5.308 6.702 1.00 12.42 H new ATOM 0 HD23 LEU A 78 -8.287 -5.981 8.194 1.00 12.42 H new ATOM 1257 N PHE A 79 -4.691 -8.435 7.602 1.00 34.35 N ATOM 1258 CA PHE A 79 -3.696 -8.406 8.667 1.00 24.30 C ATOM 1259 C PHE A 79 -2.286 -8.540 8.097 1.00 13.12 C ATOM 1260 O PHE A 79 -1.355 -7.878 8.554 1.00 1.23 O ATOM 1261 CB PHE A 79 -3.960 -9.528 9.673 1.00 20.10 C ATOM 1262 CG PHE A 79 -3.322 -9.294 11.013 1.00 71.44 C ATOM 1263 CD1 PHE A 79 -3.445 -8.071 11.650 1.00 42.54 C ATOM 1264 CD2 PHE A 79 -2.599 -10.299 11.636 1.00 34.41 C ATOM 1265 CE1 PHE A 79 -2.860 -7.852 12.882 1.00 25.44 C ATOM 1266 CE2 PHE A 79 -2.013 -10.088 12.869 1.00 20.23 C ATOM 1267 CZ PHE A 79 -2.142 -8.862 13.493 1.00 73.35 C ATOM 0 H PHE A 79 -5.421 -9.137 7.726 1.00 34.35 H new ATOM 0 HA PHE A 79 -3.774 -7.446 9.177 1.00 24.30 H new ATOM 0 HB2 PHE A 79 -5.036 -9.640 9.806 1.00 20.10 H new ATOM 0 HB3 PHE A 79 -3.590 -10.468 9.263 1.00 20.10 H new ATOM 0 HD1 PHE A 79 -4.006 -7.278 11.178 1.00 42.54 H new ATOM 0 HD2 PHE A 79 -2.492 -11.258 11.152 1.00 34.41 H new ATOM 0 HE1 PHE A 79 -2.964 -6.893 13.367 1.00 25.44 H new ATOM 0 HE2 PHE A 79 -1.455 -10.881 13.345 1.00 20.23 H new ATOM 0 HZ PHE A 79 -1.683 -8.694 14.456 1.00 73.35 H new ATOM 1277 N ASN A 80 -2.138 -9.402 7.097 1.00 31.04 N ATOM 1278 CA ASN A 80 -0.843 -9.625 6.465 1.00 71.11 C ATOM 1279 C ASN A 80 -0.478 -8.462 5.547 1.00 14.03 C ATOM 1280 O ASN A 80 0.685 -8.285 5.183 1.00 75.11 O ATOM 1281 CB ASN A 80 -0.858 -10.932 5.669 1.00 4.34 C ATOM 1282 CG ASN A 80 -0.326 -12.104 6.471 1.00 45.11 C ATOM 1283 OD1 ASN A 80 -0.146 -12.009 7.685 1.00 14.21 O ATOM 1284 ND2 ASN A 80 -0.071 -13.217 5.794 1.00 62.13 N ATOM 0 H ASN A 80 -2.899 -9.958 6.707 1.00 31.04 H new ATOM 0 HA ASN A 80 -0.091 -9.695 7.251 1.00 71.11 H new ATOM 0 HB2 ASN A 80 -1.877 -11.147 5.349 1.00 4.34 H new ATOM 0 HB3 ASN A 80 -0.259 -10.811 4.766 1.00 4.34 H new ATOM 0 HD21 ASN A 80 0.289 -14.038 6.280 1.00 62.13 H new ATOM 0 HD22 ASN A 80 -0.235 -13.251 4.788 1.00 62.13 H new ATOM 1291 N THR A 81 -1.480 -7.670 5.177 1.00 32.03 N ATOM 1292 CA THR A 81 -1.266 -6.525 4.303 1.00 61.13 C ATOM 1293 C THR A 81 -0.919 -5.277 5.106 1.00 23.12 C ATOM 1294 O THR A 81 -0.068 -4.484 4.702 1.00 25.24 O ATOM 1295 CB THR A 81 -2.510 -6.236 3.441 1.00 64.33 C ATOM 1296 OG1 THR A 81 -2.889 -7.414 2.719 1.00 53.30 O ATOM 1297 CG2 THR A 81 -2.239 -5.102 2.463 1.00 61.40 C ATOM 0 H THR A 81 -2.448 -7.802 5.470 1.00 32.03 H new ATOM 0 HA THR A 81 -0.430 -6.778 3.650 1.00 61.13 H new ATOM 0 HB THR A 81 -3.323 -5.938 4.103 1.00 64.33 H new ATOM 0 HG1 THR A 81 -3.311 -8.052 3.332 1.00 53.30 H new ATOM 0 HG21 THR A 81 -3.131 -4.916 1.865 1.00 61.40 H new ATOM 0 HG22 THR A 81 -1.978 -4.200 3.016 1.00 61.40 H new ATOM 0 HG23 THR A 81 -1.414 -5.377 1.807 1.00 61.40 H new ATOM 1305 N VAL A 82 -1.582 -5.108 6.245 1.00 4.05 N ATOM 1306 CA VAL A 82 -1.341 -3.957 7.107 1.00 61.30 C ATOM 1307 C VAL A 82 0.068 -3.990 7.688 1.00 51.24 C ATOM 1308 O VAL A 82 0.659 -2.946 7.968 1.00 24.32 O ATOM 1309 CB VAL A 82 -2.359 -3.898 8.262 1.00 40.22 C ATOM 1310 CG1 VAL A 82 -2.054 -2.725 9.182 1.00 20.32 C ATOM 1311 CG2 VAL A 82 -3.777 -3.804 7.718 1.00 44.25 C ATOM 0 H VAL A 82 -2.291 -5.754 6.593 1.00 4.05 H new ATOM 0 HA VAL A 82 -1.454 -3.068 6.486 1.00 61.30 H new ATOM 0 HB VAL A 82 -2.277 -4.817 8.843 1.00 40.22 H new ATOM 0 HG11 VAL A 82 -2.783 -2.699 9.992 1.00 20.32 H new ATOM 0 HG12 VAL A 82 -1.053 -2.840 9.598 1.00 20.32 H new ATOM 0 HG13 VAL A 82 -2.107 -1.795 8.616 1.00 20.32 H new ATOM 0 HG21 VAL A 82 -4.483 -3.763 8.547 1.00 44.25 H new ATOM 0 HG22 VAL A 82 -3.876 -2.903 7.113 1.00 44.25 H new ATOM 0 HG23 VAL A 82 -3.990 -4.679 7.103 1.00 44.25 H new ATOM 1321 N CYS A 83 0.601 -5.194 7.866 1.00 53.44 N ATOM 1322 CA CYS A 83 1.941 -5.363 8.414 1.00 64.50 C ATOM 1323 C CYS A 83 2.998 -4.887 7.424 1.00 54.44 C ATOM 1324 O CYS A 83 4.106 -4.517 7.812 1.00 64.12 O ATOM 1325 CB CYS A 83 2.186 -6.831 8.772 1.00 1.40 C ATOM 1326 SG CYS A 83 2.754 -7.843 7.387 1.00 24.45 S ATOM 0 H CYS A 83 0.125 -6.067 7.639 1.00 53.44 H new ATOM 0 HA CYS A 83 2.016 -4.757 9.317 1.00 64.50 H new ATOM 0 HB2 CYS A 83 2.925 -6.880 9.571 1.00 1.40 H new ATOM 0 HB3 CYS A 83 1.263 -7.257 9.165 1.00 1.40 H new ATOM 0 HG CYS A 83 1.789 -7.982 6.527 1.00 24.45 H new ATOM 1332 N VAL A 84 2.648 -4.897 6.141 1.00 74.31 N ATOM 1333 CA VAL A 84 3.566 -4.466 5.094 1.00 41.21 C ATOM 1334 C VAL A 84 3.545 -2.950 4.935 1.00 63.44 C ATOM 1335 O VAL A 84 4.592 -2.317 4.793 1.00 12.23 O ATOM 1336 CB VAL A 84 3.222 -5.118 3.742 1.00 75.20 C ATOM 1337 CG1 VAL A 84 4.117 -4.570 2.641 1.00 71.52 C ATOM 1338 CG2 VAL A 84 3.341 -6.632 3.834 1.00 33.13 C ATOM 0 H VAL A 84 1.735 -5.199 5.802 1.00 74.31 H new ATOM 0 HA VAL A 84 4.564 -4.783 5.398 1.00 41.21 H new ATOM 0 HB VAL A 84 2.190 -4.873 3.493 1.00 75.20 H new ATOM 0 HG11 VAL A 84 3.859 -5.043 1.693 1.00 71.52 H new ATOM 0 HG12 VAL A 84 3.975 -3.492 2.560 1.00 71.52 H new ATOM 0 HG13 VAL A 84 5.159 -4.782 2.880 1.00 71.52 H new ATOM 0 HG21 VAL A 84 3.094 -7.076 2.869 1.00 33.13 H new ATOM 0 HG22 VAL A 84 4.362 -6.901 4.107 1.00 33.13 H new ATOM 0 HG23 VAL A 84 2.653 -7.006 4.592 1.00 33.13 H new ATOM 1348 N ILE A 85 2.348 -2.375 4.959 1.00 12.21 N ATOM 1349 CA ILE A 85 2.191 -0.932 4.819 1.00 12.11 C ATOM 1350 C ILE A 85 2.916 -0.190 5.936 1.00 10.13 C ATOM 1351 O ILE A 85 3.751 0.678 5.679 1.00 32.14 O ATOM 1352 CB ILE A 85 0.707 -0.524 4.826 1.00 75.43 C ATOM 1353 CG1 ILE A 85 -0.063 -1.298 3.754 1.00 71.23 C ATOM 1354 CG2 ILE A 85 0.568 0.975 4.607 1.00 60.01 C ATOM 1355 CD1 ILE A 85 0.251 -0.851 2.344 1.00 52.25 C ATOM 0 H ILE A 85 1.473 -2.886 5.074 1.00 12.21 H new ATOM 0 HA ILE A 85 2.630 -0.658 3.859 1.00 12.11 H new ATOM 0 HB ILE A 85 0.283 -0.770 5.800 1.00 75.43 H new ATOM 0 HG12 ILE A 85 0.165 -2.360 3.849 1.00 71.23 H new ATOM 0 HG13 ILE A 85 -1.132 -1.185 3.933 1.00 71.23 H new ATOM 0 HG21 ILE A 85 -0.487 1.247 4.615 1.00 60.01 H new ATOM 0 HG22 ILE A 85 1.086 1.509 5.404 1.00 60.01 H new ATOM 0 HG23 ILE A 85 1.005 1.244 3.646 1.00 60.01 H new ATOM 0 HD11 ILE A 85 -0.330 -1.443 1.637 1.00 52.25 H new ATOM 0 HD12 ILE A 85 -0.004 0.203 2.231 1.00 52.25 H new ATOM 0 HD13 ILE A 85 1.314 -0.990 2.146 1.00 52.25 H new ATOM 1367 N TRP A 86 2.593 -0.537 7.177 1.00 31.54 N ATOM 1368 CA TRP A 86 3.215 0.095 8.334 1.00 13.24 C ATOM 1369 C TRP A 86 4.733 0.094 8.205 1.00 44.44 C ATOM 1370 O TRP A 86 5.385 1.116 8.428 1.00 25.41 O ATOM 1371 CB TRP A 86 2.800 -0.624 9.619 1.00 54.12 C ATOM 1372 CG TRP A 86 3.396 -0.023 10.856 1.00 42.42 C ATOM 1373 CD1 TRP A 86 2.814 0.895 11.683 1.00 72.01 C ATOM 1374 CD2 TRP A 86 4.690 -0.295 11.404 1.00 23.42 C ATOM 1375 NE1 TRP A 86 3.669 1.210 12.711 1.00 13.32 N ATOM 1376 CE2 TRP A 86 4.825 0.492 12.564 1.00 63.43 C ATOM 1377 CE3 TRP A 86 5.746 -1.129 11.029 1.00 64.04 C ATOM 1378 CZ2 TRP A 86 5.976 0.469 13.349 1.00 74.43 C ATOM 1379 CZ3 TRP A 86 6.887 -1.151 11.809 1.00 63.33 C ATOM 1380 CH2 TRP A 86 6.994 -0.357 12.958 1.00 62.03 C ATOM 0 H TRP A 86 1.904 -1.253 7.407 1.00 31.54 H new ATOM 0 HA TRP A 86 2.874 1.129 8.378 1.00 13.24 H new ATOM 0 HB2 TRP A 86 1.713 -0.606 9.702 1.00 54.12 H new ATOM 0 HB3 TRP A 86 3.097 -1.671 9.553 1.00 54.12 H new ATOM 0 HD1 TRP A 86 1.827 1.312 11.549 1.00 72.01 H new ATOM 0 HE1 TRP A 86 3.474 1.872 13.462 1.00 13.32 H new ATOM 0 HE3 TRP A 86 5.672 -1.746 10.145 1.00 64.04 H new ATOM 0 HZ2 TRP A 86 6.061 1.081 14.234 1.00 74.43 H new ATOM 0 HZ3 TRP A 86 7.710 -1.791 11.528 1.00 63.33 H new ATOM 0 HH2 TRP A 86 7.898 -0.398 13.547 1.00 62.03 H new ATOM 1391 N CYS A 87 5.292 -1.055 7.842 1.00 53.35 N ATOM 1392 CA CYS A 87 6.735 -1.188 7.683 1.00 50.41 C ATOM 1393 C CYS A 87 7.286 -0.087 6.783 1.00 42.24 C ATOM 1394 O CYS A 87 8.245 0.600 7.140 1.00 33.31 O ATOM 1395 CB CYS A 87 7.081 -2.559 7.101 1.00 4.00 C ATOM 1396 SG CYS A 87 7.663 -3.755 8.327 1.00 50.23 S ATOM 0 H CYS A 87 4.767 -1.909 7.652 1.00 53.35 H new ATOM 0 HA CYS A 87 7.194 -1.093 8.667 1.00 50.41 H new ATOM 0 HB2 CYS A 87 6.200 -2.964 6.604 1.00 4.00 H new ATOM 0 HB3 CYS A 87 7.849 -2.435 6.337 1.00 4.00 H new ATOM 0 HG CYS A 87 7.928 -4.884 7.740 1.00 50.23 H new ATOM 1402 N ILE A 88 6.677 0.075 5.613 1.00 13.32 N ATOM 1403 CA ILE A 88 7.106 1.093 4.662 1.00 24.54 C ATOM 1404 C ILE A 88 7.264 2.449 5.341 1.00 24.23 C ATOM 1405 O ILE A 88 8.172 3.215 5.017 1.00 2.52 O ATOM 1406 CB ILE A 88 6.111 1.229 3.495 1.00 64.13 C ATOM 1407 CG1 ILE A 88 5.974 -0.104 2.755 1.00 54.52 C ATOM 1408 CG2 ILE A 88 6.560 2.325 2.541 1.00 11.42 C ATOM 1409 CD1 ILE A 88 4.676 -0.240 1.991 1.00 55.40 C ATOM 0 H ILE A 88 5.884 -0.486 5.301 1.00 13.32 H new ATOM 0 HA ILE A 88 8.071 0.771 4.270 1.00 24.54 H new ATOM 0 HB ILE A 88 5.136 1.502 3.899 1.00 64.13 H new ATOM 0 HG12 ILE A 88 6.808 -0.213 2.061 1.00 54.52 H new ATOM 0 HG13 ILE A 88 6.050 -0.919 3.475 1.00 54.52 H new ATOM 0 HG21 ILE A 88 5.846 2.409 1.721 1.00 11.42 H new ATOM 0 HG22 ILE A 88 6.612 3.274 3.075 1.00 11.42 H new ATOM 0 HG23 ILE A 88 7.544 2.079 2.142 1.00 11.42 H new ATOM 0 HD11 ILE A 88 4.648 -1.208 1.491 1.00 55.40 H new ATOM 0 HD12 ILE A 88 3.837 -0.164 2.683 1.00 55.40 H new ATOM 0 HD13 ILE A 88 4.607 0.554 1.247 1.00 55.40 H new ATOM 1421 N HIS A 89 6.376 2.738 6.286 1.00 53.11 N ATOM 1422 CA HIS A 89 6.417 4.002 7.015 1.00 64.13 C ATOM 1423 C HIS A 89 7.502 3.974 8.086 1.00 5.44 C ATOM 1424 O HIS A 89 8.054 5.040 8.360 1.00 24.14 O ATOM 1425 CB HIS A 89 5.060 4.292 7.655 1.00 35.32 C ATOM 1426 CG HIS A 89 3.923 4.282 6.678 1.00 5.24 C ATOM 1427 ND1 HIS A 89 3.878 5.098 5.568 1.00 22.20 N ATOM 1428 CD2 HIS A 89 2.785 3.550 6.651 1.00 64.30 C ATOM 1429 CE1 HIS A 89 2.762 4.867 4.900 1.00 25.34 C ATOM 1430 NE2 HIS A 89 2.081 3.931 5.537 1.00 40.32 N ATOM 0 H HIS A 89 5.619 2.115 6.566 1.00 53.11 H new ATOM 0 HA HIS A 89 6.651 4.795 6.305 1.00 64.13 H new ATOM 0 HB2 HIS A 89 4.868 3.551 8.431 1.00 35.32 H new ATOM 0 HB3 HIS A 89 5.099 5.265 8.145 1.00 35.32 H new ATOM 0 HD1 HIS A 89 4.594 5.774 5.304 1.00 22.20 H new ATOM 0 HD2 HIS A 89 2.486 2.804 7.373 1.00 64.30 H new ATOM 0 HE1 HIS A 89 2.458 5.360 3.988 1.00 25.34 H new ATOM 1438 N ALA A 90 7.813 2.826 8.679 1.00 22.03 N ATOM 1439 CA ALA A 90 8.843 2.751 9.707 1.00 23.30 C ATOM 1440 C ALA A 90 10.224 2.556 9.088 1.00 32.14 C ATOM 1441 O ALA A 90 11.185 2.230 9.783 1.00 35.34 O ATOM 1442 CB ALA A 90 8.536 1.623 10.681 1.00 71.50 C ATOM 0 H ALA A 90 7.366 1.935 8.465 1.00 22.03 H new ATOM 0 HA ALA A 90 8.847 3.695 10.251 1.00 23.30 H new ATOM 0 HB1 ALA A 90 9.314 1.579 11.443 1.00 71.50 H new ATOM 0 HB2 ALA A 90 7.572 1.805 11.156 1.00 71.50 H new ATOM 0 HB3 ALA A 90 8.502 0.676 10.142 1.00 71.50 H new ATOM 1448 N GLU A 91 10.312 2.757 7.777 1.00 21.12 N ATOM 1449 CA GLU A 91 11.575 2.601 7.065 1.00 41.31 C ATOM 1450 C GLU A 91 12.078 1.163 7.155 1.00 14.33 C ATOM 1451 O GLU A 91 13.201 0.915 7.588 1.00 25.40 O ATOM 1452 CB GLU A 91 12.627 3.557 7.632 1.00 35.10 C ATOM 1453 CG GLU A 91 12.123 4.979 7.812 1.00 1.42 C ATOM 1454 CD GLU A 91 13.250 5.991 7.897 1.00 71.22 C ATOM 1455 OE1 GLU A 91 14.339 5.626 8.387 1.00 13.44 O ATOM 1456 OE2 GLU A 91 13.042 7.147 7.472 1.00 25.44 O ATOM 0 H GLU A 91 9.525 3.028 7.187 1.00 21.12 H new ATOM 0 HA GLU A 91 11.403 2.842 6.016 1.00 41.31 H new ATOM 0 HB2 GLU A 91 12.970 3.177 8.595 1.00 35.10 H new ATOM 0 HB3 GLU A 91 13.491 3.568 6.968 1.00 35.10 H new ATOM 0 HG2 GLU A 91 11.470 5.237 6.978 1.00 1.42 H new ATOM 0 HG3 GLU A 91 11.520 5.035 8.718 1.00 1.42 H new ATOM 1463 N GLU A 92 11.234 0.221 6.744 1.00 64.31 N ATOM 1464 CA GLU A 92 11.592 -1.192 6.780 1.00 14.02 C ATOM 1465 C GLU A 92 11.353 -1.848 5.423 1.00 2.02 C ATOM 1466 O GLU A 92 10.310 -1.650 4.799 1.00 3.12 O ATOM 1467 CB GLU A 92 10.785 -1.918 7.860 1.00 43.35 C ATOM 1468 CG GLU A 92 11.398 -1.820 9.246 1.00 41.32 C ATOM 1469 CD GLU A 92 12.131 -3.084 9.651 1.00 13.41 C ATOM 1470 OE1 GLU A 92 12.578 -3.825 8.751 1.00 15.22 O ATOM 1471 OE2 GLU A 92 12.258 -3.330 10.869 1.00 64.43 O ATOM 0 H GLU A 92 10.299 0.411 6.383 1.00 64.31 H new ATOM 0 HA GLU A 92 12.653 -1.266 7.018 1.00 14.02 H new ATOM 0 HB2 GLU A 92 9.777 -1.505 7.888 1.00 43.35 H new ATOM 0 HB3 GLU A 92 10.691 -2.969 7.587 1.00 43.35 H new ATOM 0 HG2 GLU A 92 12.090 -0.978 9.274 1.00 41.32 H new ATOM 0 HG3 GLU A 92 10.613 -1.611 9.973 1.00 41.32 H new ATOM 1478 N LYS A 93 12.327 -2.632 4.972 1.00 2.44 N ATOM 1479 CA LYS A 93 12.224 -3.319 3.690 1.00 23.24 C ATOM 1480 C LYS A 93 12.131 -4.829 3.888 1.00 11.32 C ATOM 1481 O LYS A 93 12.932 -5.421 4.612 1.00 43.31 O ATOM 1482 CB LYS A 93 13.431 -2.983 2.811 1.00 60.20 C ATOM 1483 CG LYS A 93 13.620 -1.494 2.580 1.00 61.02 C ATOM 1484 CD LYS A 93 15.081 -1.146 2.351 1.00 11.53 C ATOM 1485 CE LYS A 93 15.807 -0.895 3.665 1.00 54.40 C ATOM 1486 NZ LYS A 93 16.261 0.518 3.786 1.00 51.33 N ATOM 0 H LYS A 93 13.197 -2.807 5.476 1.00 2.44 H new ATOM 0 HA LYS A 93 11.315 -2.978 3.195 1.00 23.24 H new ATOM 0 HB2 LYS A 93 14.331 -3.387 3.274 1.00 60.20 H new ATOM 0 HB3 LYS A 93 13.318 -3.480 1.848 1.00 60.20 H new ATOM 0 HG2 LYS A 93 13.031 -1.181 1.718 1.00 61.02 H new ATOM 0 HG3 LYS A 93 13.244 -0.941 3.441 1.00 61.02 H new ATOM 0 HD2 LYS A 93 15.570 -1.959 1.813 1.00 11.53 H new ATOM 0 HD3 LYS A 93 15.151 -0.260 1.721 1.00 11.53 H new ATOM 0 HE2 LYS A 93 15.146 -1.137 4.497 1.00 54.40 H new ATOM 0 HE3 LYS A 93 16.667 -1.560 3.738 1.00 54.40 H new ATOM 0 HZ1 LYS A 93 16.751 0.649 4.694 1.00 51.33 H new ATOM 0 HZ2 LYS A 93 16.912 0.741 3.006 1.00 51.33 H new ATOM 0 HZ3 LYS A 93 15.438 1.152 3.742 1.00 51.33 H new ATOM 1500 N VAL A 94 11.148 -5.446 3.240 1.00 25.41 N ATOM 1501 CA VAL A 94 10.953 -6.887 3.343 1.00 14.21 C ATOM 1502 C VAL A 94 10.951 -7.542 1.966 1.00 52.54 C ATOM 1503 O VAL A 94 10.300 -7.060 1.038 1.00 63.11 O ATOM 1504 CB VAL A 94 9.632 -7.224 4.060 1.00 73.04 C ATOM 1505 CG1 VAL A 94 9.648 -6.694 5.486 1.00 24.43 C ATOM 1506 CG2 VAL A 94 8.448 -6.661 3.288 1.00 1.10 C ATOM 0 H VAL A 94 10.475 -4.971 2.639 1.00 25.41 H new ATOM 0 HA VAL A 94 11.786 -7.278 3.927 1.00 14.21 H new ATOM 0 HB VAL A 94 9.528 -8.308 4.101 1.00 73.04 H new ATOM 0 HG11 VAL A 94 8.707 -6.941 5.977 1.00 24.43 H new ATOM 0 HG12 VAL A 94 10.473 -7.149 6.034 1.00 24.43 H new ATOM 0 HG13 VAL A 94 9.775 -5.612 5.470 1.00 24.43 H new ATOM 0 HG21 VAL A 94 7.523 -6.909 3.809 1.00 1.10 H new ATOM 0 HG22 VAL A 94 8.544 -5.578 3.214 1.00 1.10 H new ATOM 0 HG23 VAL A 94 8.428 -7.093 2.287 1.00 1.10 H new ATOM 1516 N LYS A 95 11.684 -8.643 1.839 1.00 53.41 N ATOM 1517 CA LYS A 95 11.767 -9.365 0.576 1.00 24.42 C ATOM 1518 C LYS A 95 10.402 -9.911 0.170 1.00 41.21 C ATOM 1519 O LYS A 95 9.944 -9.691 -0.952 1.00 20.44 O ATOM 1520 CB LYS A 95 12.774 -10.513 0.687 1.00 34.54 C ATOM 1521 CG LYS A 95 13.839 -10.494 -0.396 1.00 22.42 C ATOM 1522 CD LYS A 95 15.235 -10.406 0.197 1.00 61.15 C ATOM 1523 CE LYS A 95 16.285 -10.178 -0.880 1.00 14.21 C ATOM 1524 NZ LYS A 95 16.248 -8.783 -1.402 1.00 71.41 N ATOM 0 H LYS A 95 12.229 -9.055 2.596 1.00 53.41 H new ATOM 0 HA LYS A 95 12.102 -8.667 -0.191 1.00 24.42 H new ATOM 0 HB2 LYS A 95 13.259 -10.467 1.662 1.00 34.54 H new ATOM 0 HB3 LYS A 95 12.238 -11.461 0.641 1.00 34.54 H new ATOM 0 HG2 LYS A 95 13.757 -11.395 -1.004 1.00 22.42 H new ATOM 0 HG3 LYS A 95 13.670 -9.645 -1.059 1.00 22.42 H new ATOM 0 HD2 LYS A 95 15.273 -9.593 0.922 1.00 61.15 H new ATOM 0 HD3 LYS A 95 15.460 -11.325 0.738 1.00 61.15 H new ATOM 0 HE2 LYS A 95 17.274 -10.388 -0.473 1.00 14.21 H new ATOM 0 HE3 LYS A 95 16.122 -10.877 -1.700 1.00 14.21 H new ATOM 0 HZ1 LYS A 95 17.070 -8.621 -2.019 1.00 71.41 H new ATOM 0 HZ2 LYS A 95 15.373 -8.639 -1.946 1.00 71.41 H new ATOM 0 HZ3 LYS A 95 16.275 -8.114 -0.606 1.00 71.41 H new ATOM 1538 N ASP A 96 9.756 -10.620 1.089 1.00 61.12 N ATOM 1539 CA ASP A 96 8.441 -11.194 0.827 1.00 24.22 C ATOM 1540 C ASP A 96 7.487 -10.918 1.985 1.00 24.21 C ATOM 1541 O ASP A 96 7.915 -10.733 3.126 1.00 72.35 O ATOM 1542 CB ASP A 96 8.557 -12.701 0.594 1.00 73.44 C ATOM 1543 CG ASP A 96 9.322 -13.402 1.700 1.00 54.24 C ATOM 1544 OD1 ASP A 96 8.834 -13.405 2.849 1.00 5.21 O ATOM 1545 OD2 ASP A 96 10.409 -13.947 1.415 1.00 71.52 O ATOM 0 H ASP A 96 10.121 -10.811 2.022 1.00 61.12 H new ATOM 0 HA ASP A 96 8.039 -10.725 -0.071 1.00 24.22 H new ATOM 0 HB2 ASP A 96 7.559 -13.132 0.518 1.00 73.44 H new ATOM 0 HB3 ASP A 96 9.055 -12.881 -0.359 1.00 73.44 H new ATOM 1550 N THR A 97 6.193 -10.891 1.685 1.00 12.21 N ATOM 1551 CA THR A 97 5.178 -10.635 2.700 1.00 51.01 C ATOM 1552 C THR A 97 5.421 -11.480 3.945 1.00 74.11 C ATOM 1553 O THR A 97 5.438 -10.964 5.062 1.00 52.44 O ATOM 1554 CB THR A 97 3.763 -10.925 2.165 1.00 12.01 C ATOM 1555 OG1 THR A 97 3.447 -10.020 1.101 1.00 11.41 O ATOM 1556 CG2 THR A 97 2.729 -10.795 3.272 1.00 30.31 C ATOM 0 H THR A 97 5.822 -11.043 0.747 1.00 12.21 H new ATOM 0 HA THR A 97 5.251 -9.579 2.961 1.00 51.01 H new ATOM 0 HB THR A 97 3.743 -11.948 1.789 1.00 12.01 H new ATOM 0 HG1 THR A 97 2.806 -9.351 1.420 1.00 11.41 H new ATOM 0 HG21 THR A 97 1.738 -11.004 2.870 1.00 30.31 H new ATOM 0 HG22 THR A 97 2.956 -11.505 4.067 1.00 30.31 H new ATOM 0 HG23 THR A 97 2.751 -9.782 3.674 1.00 30.31 H new ATOM 1564 N GLU A 98 5.610 -12.780 3.746 1.00 51.14 N ATOM 1565 CA GLU A 98 5.852 -13.696 4.854 1.00 52.01 C ATOM 1566 C GLU A 98 6.962 -13.172 5.759 1.00 24.45 C ATOM 1567 O GLU A 98 6.979 -13.440 6.960 1.00 72.51 O ATOM 1568 CB GLU A 98 6.219 -15.085 4.328 1.00 44.43 C ATOM 1569 CG GLU A 98 5.018 -15.978 4.074 1.00 53.11 C ATOM 1570 CD GLU A 98 5.271 -17.421 4.460 1.00 22.34 C ATOM 1571 OE1 GLU A 98 5.508 -17.683 5.659 1.00 14.24 O ATOM 1572 OE2 GLU A 98 5.234 -18.291 3.565 1.00 21.13 O ATOM 0 H GLU A 98 5.600 -13.223 2.827 1.00 51.14 H new ATOM 0 HA GLU A 98 4.935 -13.769 5.438 1.00 52.01 H new ATOM 0 HB2 GLU A 98 6.782 -14.976 3.401 1.00 44.43 H new ATOM 0 HB3 GLU A 98 6.878 -15.573 5.046 1.00 44.43 H new ATOM 0 HG2 GLU A 98 4.164 -15.600 4.636 1.00 53.11 H new ATOM 0 HG3 GLU A 98 4.751 -15.930 3.018 1.00 53.11 H new ATOM 1579 N GLY A 99 7.891 -12.422 5.174 1.00 20.23 N ATOM 1580 CA GLY A 99 8.994 -11.873 5.942 1.00 75.32 C ATOM 1581 C GLY A 99 8.602 -10.627 6.710 1.00 31.01 C ATOM 1582 O GLY A 99 9.112 -10.376 7.801 1.00 52.24 O ATOM 0 H GLY A 99 7.900 -12.185 4.182 1.00 20.23 H new ATOM 0 HA2 GLY A 99 9.357 -12.627 6.640 1.00 75.32 H new ATOM 0 HA3 GLY A 99 9.819 -11.637 5.270 1.00 75.32 H new ATOM 1586 N ALA A 100 7.693 -9.843 6.139 1.00 21.31 N ATOM 1587 CA ALA A 100 7.232 -8.617 6.777 1.00 21.21 C ATOM 1588 C ALA A 100 6.399 -8.923 8.018 1.00 71.04 C ATOM 1589 O ALA A 100 6.410 -8.166 8.988 1.00 4.00 O ATOM 1590 CB ALA A 100 6.429 -7.779 5.793 1.00 4.33 C ATOM 0 H ALA A 100 7.261 -10.036 5.235 1.00 21.31 H new ATOM 0 HA ALA A 100 8.108 -8.049 7.091 1.00 21.21 H new ATOM 0 HB1 ALA A 100 6.091 -6.866 6.284 1.00 4.33 H new ATOM 0 HB2 ALA A 100 7.055 -7.521 4.939 1.00 4.33 H new ATOM 0 HB3 ALA A 100 5.565 -8.348 5.451 1.00 4.33 H new ATOM 1596 N LYS A 101 5.676 -10.037 7.979 1.00 44.02 N ATOM 1597 CA LYS A 101 4.837 -10.445 9.099 1.00 3.35 C ATOM 1598 C LYS A 101 5.689 -10.838 10.302 1.00 50.04 C ATOM 1599 O LYS A 101 5.239 -10.757 11.445 1.00 72.21 O ATOM 1600 CB LYS A 101 3.940 -11.616 8.692 1.00 41.24 C ATOM 1601 CG LYS A 101 2.503 -11.472 9.161 1.00 34.30 C ATOM 1602 CD LYS A 101 1.945 -12.794 9.661 1.00 35.43 C ATOM 1603 CE LYS A 101 0.637 -12.599 10.414 1.00 43.31 C ATOM 1604 NZ LYS A 101 0.728 -13.088 11.818 1.00 54.51 N ATOM 0 H LYS A 101 5.654 -10.674 7.183 1.00 44.02 H new ATOM 0 HA LYS A 101 4.212 -9.597 9.379 1.00 3.35 H new ATOM 0 HB2 LYS A 101 3.951 -11.711 7.606 1.00 41.24 H new ATOM 0 HB3 LYS A 101 4.355 -12.539 9.097 1.00 41.24 H new ATOM 0 HG2 LYS A 101 2.452 -10.730 9.958 1.00 34.30 H new ATOM 0 HG3 LYS A 101 1.887 -11.103 8.341 1.00 34.30 H new ATOM 0 HD2 LYS A 101 1.783 -13.464 8.817 1.00 35.43 H new ATOM 0 HD3 LYS A 101 2.674 -13.274 10.314 1.00 35.43 H new ATOM 0 HE2 LYS A 101 0.372 -11.542 10.414 1.00 43.31 H new ATOM 0 HE3 LYS A 101 -0.163 -13.128 9.896 1.00 43.31 H new ATOM 0 HZ1 LYS A 101 -0.182 -12.938 12.298 1.00 54.51 H new ATOM 0 HZ2 LYS A 101 0.956 -14.103 11.818 1.00 54.51 H new ATOM 0 HZ3 LYS A 101 1.474 -12.565 12.320 1.00 54.51 H new ATOM 1618 N GLN A 102 6.920 -11.260 10.037 1.00 60.33 N ATOM 1619 CA GLN A 102 7.835 -11.665 11.099 1.00 73.24 C ATOM 1620 C GLN A 102 8.482 -10.448 11.752 1.00 63.34 C ATOM 1621 O GLN A 102 8.715 -10.432 12.960 1.00 64.12 O ATOM 1622 CB GLN A 102 8.914 -12.597 10.544 1.00 52.24 C ATOM 1623 CG GLN A 102 9.610 -13.424 11.612 1.00 63.34 C ATOM 1624 CD GLN A 102 10.850 -14.125 11.091 1.00 72.34 C ATOM 1625 OE1 GLN A 102 10.773 -14.954 10.184 1.00 63.40 O ATOM 1626 NE2 GLN A 102 12.001 -13.794 11.663 1.00 33.33 N ATOM 0 H GLN A 102 7.308 -11.331 9.096 1.00 60.33 H new ATOM 0 HA GLN A 102 7.261 -12.198 11.856 1.00 73.24 H new ATOM 0 HB2 GLN A 102 8.462 -13.268 9.813 1.00 52.24 H new ATOM 0 HB3 GLN A 102 9.658 -12.003 10.014 1.00 52.24 H new ATOM 0 HG2 GLN A 102 9.886 -12.777 12.445 1.00 63.34 H new ATOM 0 HG3 GLN A 102 8.914 -14.167 12.002 1.00 63.34 H new ATOM 0 HE21 GLN A 102 12.018 -13.102 12.412 1.00 33.33 H new ATOM 0 HE22 GLN A 102 12.869 -14.232 11.354 1.00 33.33 H new ATOM 1635 N ILE A 103 8.770 -9.434 10.944 1.00 3.54 N ATOM 1636 CA ILE A 103 9.390 -8.213 11.445 1.00 41.30 C ATOM 1637 C ILE A 103 8.431 -7.435 12.339 1.00 15.13 C ATOM 1638 O ILE A 103 8.790 -7.021 13.441 1.00 2.10 O ATOM 1639 CB ILE A 103 9.851 -7.302 10.292 1.00 62.24 C ATOM 1640 CG1 ILE A 103 10.868 -8.033 9.410 1.00 14.43 C ATOM 1641 CG2 ILE A 103 10.448 -6.014 10.840 1.00 74.12 C ATOM 1642 CD1 ILE A 103 11.347 -7.212 8.234 1.00 4.20 C ATOM 0 H ILE A 103 8.585 -9.433 9.941 1.00 3.54 H new ATOM 0 HA ILE A 103 10.259 -8.518 12.028 1.00 41.30 H new ATOM 0 HB ILE A 103 8.984 -7.047 9.682 1.00 62.24 H new ATOM 0 HG12 ILE A 103 11.727 -8.317 10.018 1.00 14.43 H new ATOM 0 HG13 ILE A 103 10.420 -8.955 9.041 1.00 14.43 H new ATOM 0 HG21 ILE A 103 10.769 -5.381 10.013 1.00 74.12 H new ATOM 0 HG22 ILE A 103 9.698 -5.487 11.430 1.00 74.12 H new ATOM 0 HG23 ILE A 103 11.305 -6.250 11.470 1.00 74.12 H new ATOM 0 HD11 ILE A 103 12.065 -7.792 7.654 1.00 4.20 H new ATOM 0 HD12 ILE A 103 10.498 -6.950 7.603 1.00 4.20 H new ATOM 0 HD13 ILE A 103 11.825 -6.302 8.596 1.00 4.20 H new ATOM 1654 N VAL A 104 7.207 -7.242 11.857 1.00 0.30 N ATOM 1655 CA VAL A 104 6.193 -6.516 12.614 1.00 65.14 C ATOM 1656 C VAL A 104 5.820 -7.263 13.890 1.00 64.53 C ATOM 1657 O VAL A 104 5.745 -6.674 14.967 1.00 3.11 O ATOM 1658 CB VAL A 104 4.922 -6.289 11.774 1.00 5.52 C ATOM 1659 CG1 VAL A 104 3.851 -5.595 12.604 1.00 43.23 C ATOM 1660 CG2 VAL A 104 5.246 -5.483 10.525 1.00 14.12 C ATOM 0 H VAL A 104 6.894 -7.578 10.946 1.00 0.30 H new ATOM 0 HA VAL A 104 6.624 -5.550 12.876 1.00 65.14 H new ATOM 0 HB VAL A 104 4.535 -7.259 11.462 1.00 5.52 H new ATOM 0 HG11 VAL A 104 2.960 -5.443 11.995 1.00 43.23 H new ATOM 0 HG12 VAL A 104 3.600 -6.214 13.465 1.00 43.23 H new ATOM 0 HG13 VAL A 104 4.225 -4.630 12.947 1.00 43.23 H new ATOM 0 HG21 VAL A 104 4.337 -5.332 9.943 1.00 14.12 H new ATOM 0 HG22 VAL A 104 5.657 -4.516 10.813 1.00 14.12 H new ATOM 0 HG23 VAL A 104 5.976 -6.023 9.923 1.00 14.12 H new ATOM 1670 N ARG A 105 5.588 -8.565 13.759 1.00 20.31 N ATOM 1671 CA ARG A 105 5.222 -9.394 14.901 1.00 33.45 C ATOM 1672 C ARG A 105 6.227 -9.230 16.036 1.00 24.33 C ATOM 1673 O ARG A 105 5.851 -8.982 17.182 1.00 0.14 O ATOM 1674 CB ARG A 105 5.139 -10.865 14.486 1.00 52.10 C ATOM 1675 CG ARG A 105 4.665 -11.786 15.598 1.00 2.01 C ATOM 1676 CD ARG A 105 5.654 -12.915 15.845 1.00 14.12 C ATOM 1677 NE ARG A 105 4.997 -14.112 16.364 1.00 65.23 N ATOM 1678 CZ ARG A 105 5.651 -15.122 16.927 1.00 0.03 C ATOM 1679 NH1 ARG A 105 6.971 -15.080 17.044 1.00 4.42 N ATOM 1680 NH2 ARG A 105 4.984 -16.178 17.376 1.00 12.20 N ATOM 0 H ARG A 105 5.647 -9.068 12.874 1.00 20.31 H new ATOM 0 HA ARG A 105 4.244 -9.069 15.255 1.00 33.45 H new ATOM 0 HB2 ARG A 105 4.462 -10.956 13.637 1.00 52.10 H new ATOM 0 HB3 ARG A 105 6.121 -11.194 14.147 1.00 52.10 H new ATOM 0 HG2 ARG A 105 4.530 -11.212 16.515 1.00 2.01 H new ATOM 0 HG3 ARG A 105 3.692 -12.203 15.337 1.00 2.01 H new ATOM 0 HD2 ARG A 105 6.168 -13.157 14.915 1.00 14.12 H new ATOM 0 HD3 ARG A 105 6.414 -12.583 16.552 1.00 14.12 H new ATOM 0 HE ARG A 105 3.982 -14.176 16.290 1.00 65.23 H new ATOM 0 HH11 ARG A 105 7.488 -14.270 16.701 1.00 4.42 H new ATOM 0 HH12 ARG A 105 7.470 -15.857 17.477 1.00 4.42 H new ATOM 0 HH21 ARG A 105 3.968 -16.215 17.289 1.00 12.20 H new ATOM 0 HH22 ARG A 105 5.487 -16.953 17.808 1.00 12.20 H new ATOM 1694 N ARG A 106 7.508 -9.372 15.710 1.00 2.13 N ATOM 1695 CA ARG A 106 8.568 -9.242 16.702 1.00 21.02 C ATOM 1696 C ARG A 106 8.555 -7.852 17.333 1.00 34.03 C ATOM 1697 O ARG A 106 8.713 -7.708 18.547 1.00 62.42 O ATOM 1698 CB ARG A 106 9.932 -9.508 16.062 1.00 33.54 C ATOM 1699 CG ARG A 106 11.098 -9.350 17.023 1.00 3.02 C ATOM 1700 CD ARG A 106 12.207 -10.346 16.722 1.00 42.41 C ATOM 1701 NE ARG A 106 11.972 -11.638 17.360 1.00 1.22 N ATOM 1702 CZ ARG A 106 12.060 -11.837 18.671 1.00 64.25 C ATOM 1703 NH1 ARG A 106 12.376 -10.834 19.478 1.00 42.21 N ATOM 1704 NH2 ARG A 106 11.831 -13.043 19.177 1.00 62.21 N ATOM 0 H ARG A 106 7.836 -9.577 14.766 1.00 2.13 H new ATOM 0 HA ARG A 106 8.390 -9.980 17.484 1.00 21.02 H new ATOM 0 HB2 ARG A 106 9.942 -10.519 15.656 1.00 33.54 H new ATOM 0 HB3 ARG A 106 10.069 -8.826 15.223 1.00 33.54 H new ATOM 0 HG2 ARG A 106 11.491 -8.335 16.956 1.00 3.02 H new ATOM 0 HG3 ARG A 106 10.749 -9.490 18.046 1.00 3.02 H new ATOM 0 HD2 ARG A 106 12.287 -10.484 15.644 1.00 42.41 H new ATOM 0 HD3 ARG A 106 13.160 -9.941 17.063 1.00 42.41 H new ATOM 0 HE ARG A 106 11.727 -12.431 16.767 1.00 1.22 H new ATOM 0 HH11 ARG A 106 12.552 -9.906 19.093 1.00 42.21 H new ATOM 0 HH12 ARG A 106 12.443 -10.990 20.484 1.00 42.21 H new ATOM 0 HH21 ARG A 106 11.587 -13.817 18.559 1.00 62.21 H new ATOM 0 HH22 ARG A 106 11.899 -13.195 20.183 1.00 62.21 H new ATOM 1718 N HIS A 107 8.364 -6.832 16.503 1.00 31.41 N ATOM 1719 CA HIS A 107 8.329 -5.453 16.978 1.00 22.53 C ATOM 1720 C HIS A 107 7.216 -5.262 18.004 1.00 0.24 C ATOM 1721 O HIS A 107 7.381 -4.395 18.865 1.00 72.44 O ATOM 1722 CB HIS A 107 8.130 -4.492 15.807 1.00 3.41 C ATOM 1723 CG HIS A 107 9.376 -4.252 15.011 1.00 70.22 C ATOM 1724 ND1 HIS A 107 10.599 -3.985 15.588 1.00 74.54 N ATOM 1725 CD2 HIS A 107 9.583 -4.241 13.673 1.00 30.12 C ATOM 1726 CE1 HIS A 107 11.503 -3.819 14.640 1.00 65.20 C ATOM 1727 NE2 HIS A 107 10.912 -3.971 13.468 1.00 5.42 N ATOM 0 H HIS A 107 8.231 -6.934 15.497 1.00 31.41 H new ATOM 0 HA HIS A 107 9.283 -5.235 17.457 1.00 22.53 H new ATOM 0 HB2 HIS A 107 7.359 -4.890 15.148 1.00 3.41 H new ATOM 0 HB3 HIS A 107 7.763 -3.539 16.188 1.00 3.41 H new ATOM 0 HD2 HIS A 107 8.839 -4.413 12.909 1.00 30.12 H new ATOM 0 HE1 HIS A 107 12.548 -3.597 14.796 1.00 65.20 H new ATOM 0 HE2 HIS A 107 11.369 -3.899 12.559 1.00 5.42 H new ATOM 1735 N LEU A 108 6.126 -6.019 17.941 1.00 54.21 N ATOM 1736 CA LEU A 108 5.036 -5.872 18.898 1.00 33.12 C ATOM 1737 C LEU A 108 5.331 -6.642 20.182 1.00 5.42 C ATOM 1738 O LEU A 108 5.204 -6.105 21.282 1.00 11.04 O ATOM 1739 CB LEU A 108 3.723 -6.364 18.286 1.00 32.12 C ATOM 1740 CG LEU A 108 3.186 -5.552 17.107 1.00 42.21 C ATOM 1741 CD1 LEU A 108 2.043 -6.289 16.426 1.00 23.55 C ATOM 1742 CD2 LEU A 108 2.734 -4.174 17.569 1.00 63.22 C ATOM 0 H LEU A 108 5.974 -6.741 17.237 1.00 54.21 H new ATOM 0 HA LEU A 108 4.942 -4.814 19.143 1.00 33.12 H new ATOM 0 HB2 LEU A 108 3.862 -7.394 17.958 1.00 32.12 H new ATOM 0 HB3 LEU A 108 2.964 -6.378 19.068 1.00 32.12 H new ATOM 0 HG LEU A 108 3.991 -5.425 16.383 1.00 42.21 H new ATOM 0 HD11 LEU A 108 1.674 -5.695 15.590 1.00 23.55 H new ATOM 0 HD12 LEU A 108 2.398 -7.252 16.059 1.00 23.55 H new ATOM 0 HD13 LEU A 108 1.236 -6.449 17.141 1.00 23.55 H new ATOM 0 HD21 LEU A 108 2.355 -3.611 16.716 1.00 63.22 H new ATOM 0 HD22 LEU A 108 1.945 -4.281 18.313 1.00 63.22 H new ATOM 0 HD23 LEU A 108 3.578 -3.643 18.009 1.00 63.22 H new