USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=13 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 70:sc= -1.44! USER MOD Set 1.2: A 97 THR OG1 : rot -91:sc= 1.63 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.45! C(o=-3.4!,f=-8.3!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -136:sc= -0.457 (180deg=-2.65) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.56 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -110:sc= -0.166 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) 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 -60:sc= 0.799 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.707 K(o=-0.71,f=-2.4!) 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= -0.202 K(o=-0.2,f=0.66) USER MOD Single : A 81 THR OG1 : rot 65:sc= 0.0939 USER MOD Single : A 83 CYS SG : rot 85:sc= -0.997 USER MOD Single : A 87 CYS SG : rot 85:sc= 0.306 USER MOD Single : A 89 HIS : no HD1:sc= -1.02 K(o=-1,f=-3.8!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.0761 K(o=0.076,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 4.475 7.300 -3.577 1.00 41.33 N ATOM 103 CA ARG A 9 5.538 8.236 -3.920 1.00 11.25 C ATOM 104 C ARG A 9 6.349 7.727 -5.109 1.00 64.52 C ATOM 105 O ARG A 9 5.969 6.755 -5.761 1.00 20.22 O ATOM 106 CB ARG A 9 6.459 8.458 -2.719 1.00 51.44 C ATOM 107 CG ARG A 9 6.610 9.919 -2.330 1.00 15.50 C ATOM 108 CD ARG A 9 5.913 10.221 -1.013 1.00 3.22 C ATOM 109 NE ARG A 9 5.548 11.631 -0.898 1.00 53.31 N ATOM 110 CZ ARG A 9 4.676 12.094 -0.008 1.00 32.51 C ATOM 111 NH1 ARG A 9 4.084 11.263 0.839 1.00 75.11 N ATOM 112 NH2 ARG A 9 4.396 13.390 0.036 1.00 11.44 N ATOM 0 HA ARG A 9 5.077 9.184 -4.196 1.00 11.25 H new ATOM 0 HB2 ARG A 9 6.070 7.902 -1.866 1.00 51.44 H new ATOM 0 HB3 ARG A 9 7.443 8.047 -2.946 1.00 51.44 H new ATOM 0 HG2 ARG A 9 7.668 10.167 -2.248 1.00 15.50 H new ATOM 0 HG3 ARG A 9 6.195 10.550 -3.116 1.00 15.50 H new ATOM 0 HD2 ARG A 9 5.017 9.606 -0.928 1.00 3.22 H new ATOM 0 HD3 ARG A 9 6.567 9.947 -0.185 1.00 3.22 H new ATOM 0 HE ARG A 9 5.986 12.296 -1.535 1.00 53.31 H new ATOM 0 HH11 ARG A 9 4.297 10.266 0.808 1.00 75.11 H new ATOM 0 HH12 ARG A 9 3.415 11.621 1.521 1.00 75.11 H new ATOM 0 HH21 ARG A 9 4.850 14.032 -0.614 1.00 11.44 H new ATOM 0 HH22 ARG A 9 3.727 13.744 0.719 1.00 11.44 H new ATOM 126 N GLY A 10 7.468 8.391 -5.384 1.00 24.42 N ATOM 127 CA GLY A 10 8.314 7.990 -6.493 1.00 42.24 C ATOM 128 C GLY A 10 9.331 6.939 -6.097 1.00 71.34 C ATOM 129 O GLY A 10 9.202 5.770 -6.462 1.00 51.32 O ATOM 0 H GLY A 10 7.803 9.199 -4.859 1.00 24.42 H new ATOM 0 HA2 GLY A 10 7.691 7.603 -7.299 1.00 42.24 H new ATOM 0 HA3 GLY A 10 8.834 8.865 -6.884 1.00 42.24 H new ATOM 133 N LYS A 11 10.347 7.354 -5.348 1.00 0.22 N ATOM 134 CA LYS A 11 11.393 6.440 -4.902 1.00 64.11 C ATOM 135 C LYS A 11 10.810 5.334 -4.028 1.00 31.33 C ATOM 136 O LYS A 11 11.319 4.212 -4.007 1.00 13.23 O ATOM 137 CB LYS A 11 12.469 7.204 -4.128 1.00 70.31 C ATOM 138 CG LYS A 11 13.835 7.169 -4.791 1.00 41.14 C ATOM 139 CD LYS A 11 14.792 8.160 -4.148 1.00 21.52 C ATOM 140 CE LYS A 11 15.849 8.632 -5.135 1.00 73.31 C ATOM 141 NZ LYS A 11 15.546 9.988 -5.667 1.00 2.40 N ATOM 0 H LYS A 11 10.469 8.318 -5.037 1.00 0.22 H new ATOM 0 HA LYS A 11 11.844 5.983 -5.783 1.00 64.11 H new ATOM 0 HB2 LYS A 11 12.156 8.242 -4.015 1.00 70.31 H new ATOM 0 HB3 LYS A 11 12.550 6.785 -3.125 1.00 70.31 H new ATOM 0 HG2 LYS A 11 14.249 6.163 -4.720 1.00 41.14 H new ATOM 0 HG3 LYS A 11 13.732 7.397 -5.852 1.00 41.14 H new ATOM 0 HD2 LYS A 11 14.233 9.018 -3.774 1.00 21.52 H new ATOM 0 HD3 LYS A 11 15.276 7.696 -3.289 1.00 21.52 H new ATOM 0 HE2 LYS A 11 16.823 8.643 -4.646 1.00 73.31 H new ATOM 0 HE3 LYS A 11 15.916 7.924 -5.961 1.00 73.31 H new ATOM 0 HZ1 LYS A 11 16.290 10.273 -6.336 1.00 2.40 H new ATOM 0 HZ2 LYS A 11 14.628 9.972 -6.156 1.00 2.40 H new ATOM 0 HZ3 LYS A 11 15.508 10.669 -4.881 1.00 2.40 H new ATOM 155 N LYS A 12 9.741 5.656 -3.308 1.00 63.51 N ATOM 156 CA LYS A 12 9.087 4.689 -2.433 1.00 35.35 C ATOM 157 C LYS A 12 8.311 3.658 -3.247 1.00 35.31 C ATOM 158 O LYS A 12 8.282 2.476 -2.903 1.00 74.12 O ATOM 159 CB LYS A 12 8.144 5.403 -1.464 1.00 51.12 C ATOM 160 CG LYS A 12 8.863 6.113 -0.329 1.00 64.23 C ATOM 161 CD LYS A 12 7.889 6.864 0.564 1.00 20.31 C ATOM 162 CE LYS A 12 8.498 8.155 1.091 1.00 22.34 C ATOM 163 NZ LYS A 12 7.840 8.607 2.348 1.00 24.12 N ATOM 0 H LYS A 12 9.308 6.580 -3.313 1.00 63.51 H new ATOM 0 HA LYS A 12 9.859 4.171 -1.863 1.00 35.35 H new ATOM 0 HB2 LYS A 12 7.550 6.130 -2.018 1.00 51.12 H new ATOM 0 HB3 LYS A 12 7.449 4.676 -1.044 1.00 51.12 H new ATOM 0 HG2 LYS A 12 9.416 5.385 0.265 1.00 64.23 H new ATOM 0 HG3 LYS A 12 9.594 6.810 -0.739 1.00 64.23 H new ATOM 0 HD2 LYS A 12 6.981 7.090 0.005 1.00 20.31 H new ATOM 0 HD3 LYS A 12 7.598 6.230 1.401 1.00 20.31 H new ATOM 0 HE2 LYS A 12 9.563 8.007 1.272 1.00 22.34 H new ATOM 0 HE3 LYS A 12 8.408 8.934 0.334 1.00 22.34 H new ATOM 0 HZ1 LYS A 12 8.284 9.489 2.674 1.00 24.12 H new ATOM 0 HZ2 LYS A 12 6.829 8.773 2.170 1.00 24.12 H new ATOM 0 HZ3 LYS A 12 7.947 7.875 3.079 1.00 24.12 H new ATOM 177 N ALA A 13 7.685 4.112 -4.327 1.00 32.24 N ATOM 178 CA ALA A 13 6.913 3.228 -5.191 1.00 65.11 C ATOM 179 C ALA A 13 7.729 2.005 -5.597 1.00 41.31 C ATOM 180 O ALA A 13 7.204 0.894 -5.673 1.00 53.04 O ATOM 181 CB ALA A 13 6.437 3.980 -6.425 1.00 63.44 C ATOM 0 H ALA A 13 7.697 5.087 -4.625 1.00 32.24 H new ATOM 0 HA ALA A 13 6.044 2.882 -4.631 1.00 65.11 H new ATOM 0 HB1 ALA A 13 5.862 3.308 -7.061 1.00 63.44 H new ATOM 0 HB2 ALA A 13 5.809 4.818 -6.121 1.00 63.44 H new ATOM 0 HB3 ALA A 13 7.299 4.354 -6.978 1.00 63.44 H new ATOM 187 N ASP A 14 9.014 2.217 -5.857 1.00 54.51 N ATOM 188 CA ASP A 14 9.903 1.133 -6.255 1.00 74.12 C ATOM 189 C ASP A 14 9.931 0.037 -5.194 1.00 71.52 C ATOM 190 O ASP A 14 9.681 -1.132 -5.489 1.00 40.32 O ATOM 191 CB ASP A 14 11.318 1.664 -6.493 1.00 51.30 C ATOM 192 CG ASP A 14 11.799 1.416 -7.908 1.00 11.53 C ATOM 193 OD1 ASP A 14 12.152 0.260 -8.221 1.00 34.02 O ATOM 194 OD2 ASP A 14 11.820 2.377 -8.704 1.00 13.43 O ATOM 0 H ASP A 14 9.463 3.131 -5.799 1.00 54.51 H new ATOM 0 HA ASP A 14 9.522 0.708 -7.184 1.00 74.12 H new ATOM 0 HB2 ASP A 14 11.341 2.734 -6.287 1.00 51.30 H new ATOM 0 HB3 ASP A 14 12.004 1.190 -5.791 1.00 51.30 H new ATOM 199 N GLU A 15 10.238 0.422 -3.959 1.00 34.15 N ATOM 200 CA GLU A 15 10.300 -0.530 -2.855 1.00 13.13 C ATOM 201 C GLU A 15 8.952 -1.214 -2.652 1.00 73.12 C ATOM 202 O GLU A 15 8.889 -2.385 -2.272 1.00 2.51 O ATOM 203 CB GLU A 15 10.727 0.177 -1.568 1.00 45.43 C ATOM 204 CG GLU A 15 12.202 0.540 -1.531 1.00 60.34 C ATOM 205 CD GLU A 15 12.445 2.019 -1.755 1.00 33.32 C ATOM 206 OE1 GLU A 15 11.969 2.830 -0.934 1.00 2.21 O ATOM 207 OE2 GLU A 15 13.113 2.365 -2.752 1.00 50.11 O ATOM 0 H GLU A 15 10.448 1.385 -3.698 1.00 34.15 H new ATOM 0 HA GLU A 15 11.039 -1.291 -3.104 1.00 13.13 H new ATOM 0 HB2 GLU A 15 10.135 1.085 -1.449 1.00 45.43 H new ATOM 0 HB3 GLU A 15 10.499 -0.466 -0.718 1.00 45.43 H new ATOM 0 HG2 GLU A 15 12.620 0.249 -0.567 1.00 60.34 H new ATOM 0 HG3 GLU A 15 12.732 -0.031 -2.293 1.00 60.34 H new ATOM 214 N LEU A 16 7.876 -0.476 -2.904 1.00 72.54 N ATOM 215 CA LEU A 16 6.529 -1.011 -2.747 1.00 23.35 C ATOM 216 C LEU A 16 6.224 -2.046 -3.827 1.00 51.13 C ATOM 217 O LEU A 16 5.718 -3.129 -3.536 1.00 22.35 O ATOM 218 CB LEU A 16 5.500 0.119 -2.804 1.00 2.42 C ATOM 219 CG LEU A 16 4.046 -0.282 -2.556 1.00 24.54 C ATOM 220 CD1 LEU A 16 3.417 -0.823 -3.831 1.00 61.25 C ATOM 221 CD2 LEU A 16 3.960 -1.312 -1.438 1.00 12.53 C ATOM 0 H LEU A 16 7.911 0.494 -3.218 1.00 72.54 H new ATOM 0 HA LEU A 16 6.470 -1.499 -1.774 1.00 23.35 H new ATOM 0 HB2 LEU A 16 5.778 0.874 -2.068 1.00 2.42 H new ATOM 0 HB3 LEU A 16 5.563 0.591 -3.784 1.00 2.42 H new ATOM 0 HG LEU A 16 3.492 0.605 -2.249 1.00 24.54 H new ATOM 0 HD11 LEU A 16 2.382 -1.103 -3.635 1.00 61.25 H new ATOM 0 HD12 LEU A 16 3.445 -0.056 -4.605 1.00 61.25 H new ATOM 0 HD13 LEU A 16 3.973 -1.698 -4.168 1.00 61.25 H new ATOM 0 HD21 LEU A 16 2.918 -1.586 -1.275 1.00 12.53 H new ATOM 0 HD22 LEU A 16 4.529 -2.199 -1.716 1.00 12.53 H new ATOM 0 HD23 LEU A 16 4.372 -0.889 -0.521 1.00 12.53 H new ATOM 233 N GLU A 17 6.538 -1.703 -5.073 1.00 53.22 N ATOM 234 CA GLU A 17 6.299 -2.603 -6.195 1.00 45.31 C ATOM 235 C GLU A 17 7.361 -3.697 -6.251 1.00 42.13 C ATOM 236 O GLU A 17 7.282 -4.613 -7.069 1.00 23.53 O ATOM 237 CB GLU A 17 6.286 -1.821 -7.510 1.00 22.32 C ATOM 238 CG GLU A 17 4.947 -1.173 -7.820 1.00 50.34 C ATOM 239 CD GLU A 17 4.911 -0.538 -9.197 1.00 54.23 C ATOM 240 OE1 GLU A 17 5.939 -0.595 -9.904 1.00 52.41 O ATOM 241 OE2 GLU A 17 3.855 0.016 -9.566 1.00 71.10 O ATOM 0 H GLU A 17 6.958 -0.810 -5.330 1.00 53.22 H new ATOM 0 HA GLU A 17 5.326 -3.073 -6.050 1.00 45.31 H new ATOM 0 HB2 GLU A 17 7.054 -1.048 -7.471 1.00 22.32 H new ATOM 0 HB3 GLU A 17 6.552 -2.494 -8.325 1.00 22.32 H new ATOM 0 HG2 GLU A 17 4.159 -1.923 -7.749 1.00 50.34 H new ATOM 0 HG3 GLU A 17 4.732 -0.414 -7.068 1.00 50.34 H new ATOM 248 N ARG A 18 8.355 -3.594 -5.374 1.00 1.12 N ATOM 249 CA ARG A 18 9.434 -4.573 -5.324 1.00 62.11 C ATOM 250 C ARG A 18 9.064 -5.744 -4.420 1.00 71.24 C ATOM 251 O ARG A 18 9.294 -6.904 -4.764 1.00 31.24 O ATOM 252 CB ARG A 18 10.723 -3.917 -4.826 1.00 20.22 C ATOM 253 CG ARG A 18 11.690 -3.548 -5.940 1.00 23.53 C ATOM 254 CD ARG A 18 12.931 -2.859 -5.396 1.00 43.43 C ATOM 255 NE ARG A 18 14.008 -3.806 -5.125 1.00 13.42 N ATOM 256 CZ ARG A 18 15.181 -3.456 -4.608 1.00 32.34 C ATOM 257 NH1 ARG A 18 15.426 -2.189 -4.310 1.00 54.42 N ATOM 258 NH2 ARG A 18 16.113 -4.376 -4.391 1.00 65.23 N ATOM 0 H ARG A 18 8.435 -2.843 -4.689 1.00 1.12 H new ATOM 0 HA ARG A 18 9.594 -4.953 -6.333 1.00 62.11 H new ATOM 0 HB2 ARG A 18 10.469 -3.018 -4.264 1.00 20.22 H new ATOM 0 HB3 ARG A 18 11.222 -4.595 -4.134 1.00 20.22 H new ATOM 0 HG2 ARG A 18 11.981 -4.447 -6.483 1.00 23.53 H new ATOM 0 HG3 ARG A 18 11.191 -2.892 -6.653 1.00 23.53 H new ATOM 0 HD2 ARG A 18 13.275 -2.114 -6.113 1.00 43.43 H new ATOM 0 HD3 ARG A 18 12.678 -2.326 -4.479 1.00 43.43 H new ATOM 0 HE ARG A 18 13.852 -4.790 -5.344 1.00 13.42 H new ATOM 0 HH11 ARG A 18 14.713 -1.479 -4.477 1.00 54.42 H new ATOM 0 HH12 ARG A 18 16.327 -1.924 -3.913 1.00 54.42 H new ATOM 0 HH21 ARG A 18 15.929 -5.353 -4.621 1.00 65.23 H new ATOM 0 HH22 ARG A 18 17.013 -4.106 -3.994 1.00 65.23 H new ATOM 272 N ILE A 19 8.490 -5.434 -3.262 1.00 14.21 N ATOM 273 CA ILE A 19 8.088 -6.460 -2.309 1.00 22.24 C ATOM 274 C ILE A 19 7.238 -7.532 -2.982 1.00 33.35 C ATOM 275 O ILE A 19 6.301 -7.225 -3.719 1.00 54.20 O ATOM 276 CB ILE A 19 7.298 -5.858 -1.133 1.00 1.12 C ATOM 277 CG1 ILE A 19 8.150 -4.824 -0.393 1.00 21.41 C ATOM 278 CG2 ILE A 19 6.843 -6.956 -0.183 1.00 74.23 C ATOM 279 CD1 ILE A 19 7.342 -3.700 0.215 1.00 0.10 C ATOM 0 H ILE A 19 8.293 -4.479 -2.962 1.00 14.21 H new ATOM 0 HA ILE A 19 9.003 -6.912 -1.927 1.00 22.24 H new ATOM 0 HB ILE A 19 6.414 -5.357 -1.527 1.00 1.12 H new ATOM 0 HG12 ILE A 19 8.711 -5.325 0.396 1.00 21.41 H new ATOM 0 HG13 ILE A 19 8.879 -4.403 -1.085 1.00 21.41 H new ATOM 0 HG21 ILE A 19 6.286 -6.514 0.643 1.00 74.23 H new ATOM 0 HG22 ILE A 19 6.203 -7.658 -0.718 1.00 74.23 H new ATOM 0 HG23 ILE A 19 7.714 -7.483 0.207 1.00 74.23 H new ATOM 0 HD11 ILE A 19 8.010 -3.005 0.723 1.00 0.10 H new ATOM 0 HD12 ILE A 19 6.801 -3.174 -0.572 1.00 0.10 H new ATOM 0 HD13 ILE A 19 6.631 -4.110 0.932 1.00 0.10 H new ATOM 291 N ARG A 20 7.571 -8.793 -2.723 1.00 54.12 N ATOM 292 CA ARG A 20 6.838 -9.912 -3.303 1.00 3.43 C ATOM 293 C ARG A 20 5.631 -10.276 -2.443 1.00 43.42 C ATOM 294 O ARG A 20 5.740 -10.402 -1.223 1.00 54.33 O ATOM 295 CB ARG A 20 7.754 -11.127 -3.454 1.00 14.53 C ATOM 296 CG ARG A 20 8.467 -11.190 -4.796 1.00 5.34 C ATOM 297 CD ARG A 20 9.456 -12.344 -4.848 1.00 50.34 C ATOM 298 NE ARG A 20 10.317 -12.273 -6.025 1.00 22.50 N ATOM 299 CZ ARG A 20 11.333 -13.101 -6.243 1.00 23.33 C ATOM 300 NH1 ARG A 20 11.612 -14.058 -5.368 1.00 1.44 N ATOM 301 NH2 ARG A 20 12.070 -12.974 -7.339 1.00 31.11 N ATOM 0 H ARG A 20 8.344 -9.065 -2.115 1.00 54.12 H new ATOM 0 HA ARG A 20 6.483 -9.609 -4.288 1.00 3.43 H new ATOM 0 HB2 ARG A 20 8.498 -11.112 -2.657 1.00 14.53 H new ATOM 0 HB3 ARG A 20 7.165 -12.034 -3.322 1.00 14.53 H new ATOM 0 HG2 ARG A 20 7.733 -11.302 -5.594 1.00 5.34 H new ATOM 0 HG3 ARG A 20 8.992 -10.251 -4.975 1.00 5.34 H new ATOM 0 HD2 ARG A 20 10.071 -12.336 -3.948 1.00 50.34 H new ATOM 0 HD3 ARG A 20 8.912 -13.288 -4.853 1.00 50.34 H new ATOM 0 HE ARG A 20 10.128 -11.548 -6.718 1.00 22.50 H new ATOM 0 HH11 ARG A 20 11.046 -14.160 -4.526 1.00 1.44 H new ATOM 0 HH12 ARG A 20 12.392 -14.692 -5.538 1.00 1.44 H new ATOM 0 HH21 ARG A 20 11.857 -12.240 -8.015 1.00 31.11 H new ATOM 0 HH22 ARG A 20 12.850 -13.610 -7.506 1.00 31.11 H new ATOM 315 N LEU A 21 4.481 -10.442 -3.087 1.00 2.22 N ATOM 316 CA LEU A 21 3.253 -10.791 -2.382 1.00 62.11 C ATOM 317 C LEU A 21 3.433 -12.073 -1.576 1.00 71.04 C ATOM 318 O LEU A 21 2.813 -12.251 -0.527 1.00 70.22 O ATOM 319 CB LEU A 21 2.101 -10.957 -3.374 1.00 3.04 C ATOM 320 CG LEU A 21 1.543 -9.667 -3.976 1.00 4.05 C ATOM 321 CD1 LEU A 21 0.591 -9.979 -5.121 1.00 60.55 C ATOM 322 CD2 LEU A 21 0.843 -8.839 -2.908 1.00 23.34 C ATOM 0 H LEU A 21 4.373 -10.341 -4.096 1.00 2.22 H new ATOM 0 HA LEU A 21 3.017 -9.980 -1.693 1.00 62.11 H new ATOM 0 HB2 LEU A 21 2.439 -11.598 -4.188 1.00 3.04 H new ATOM 0 HB3 LEU A 21 1.288 -11.481 -2.872 1.00 3.04 H new ATOM 0 HG LEU A 21 2.375 -9.084 -4.372 1.00 4.05 H new ATOM 0 HD11 LEU A 21 0.204 -9.048 -5.536 1.00 60.55 H new ATOM 0 HD12 LEU A 21 1.123 -10.529 -5.897 1.00 60.55 H new ATOM 0 HD13 LEU A 21 -0.237 -10.583 -4.751 1.00 60.55 H new ATOM 0 HD21 LEU A 21 0.452 -7.925 -3.355 1.00 23.34 H new ATOM 0 HD22 LEU A 21 0.021 -9.415 -2.482 1.00 23.34 H new ATOM 0 HD23 LEU A 21 1.553 -8.584 -2.122 1.00 23.34 H new ATOM 334 N ARG A 22 4.288 -12.962 -2.071 1.00 22.44 N ATOM 335 CA ARG A 22 4.551 -14.227 -1.396 1.00 20.42 C ATOM 336 C ARG A 22 6.043 -14.549 -1.406 1.00 44.22 C ATOM 337 O ARG A 22 6.815 -14.005 -2.196 1.00 40.03 O ATOM 338 CB ARG A 22 3.770 -15.360 -2.067 1.00 12.33 C ATOM 339 CG ARG A 22 2.466 -15.699 -1.364 1.00 1.42 C ATOM 340 CD ARG A 22 2.142 -17.181 -1.476 1.00 13.43 C ATOM 341 NE ARG A 22 1.541 -17.703 -0.253 1.00 22.21 N ATOM 342 CZ ARG A 22 0.307 -17.409 0.144 1.00 74.32 C ATOM 343 NH1 ARG A 22 -0.451 -16.600 -0.583 1.00 75.24 N ATOM 344 NH2 ARG A 22 -0.169 -17.924 1.270 1.00 23.45 N ATOM 0 H ARG A 22 4.810 -12.829 -2.937 1.00 22.44 H new ATOM 0 HA ARG A 22 4.224 -14.132 -0.361 1.00 20.42 H new ATOM 0 HB2 ARG A 22 3.555 -15.081 -3.098 1.00 12.33 H new ATOM 0 HB3 ARG A 22 4.397 -16.251 -2.102 1.00 12.33 H new ATOM 0 HG2 ARG A 22 2.534 -15.419 -0.313 1.00 1.42 H new ATOM 0 HG3 ARG A 22 1.655 -15.114 -1.798 1.00 1.42 H new ATOM 0 HD2 ARG A 22 1.461 -17.341 -2.312 1.00 13.43 H new ATOM 0 HD3 ARG A 22 3.054 -17.736 -1.697 1.00 13.43 H new ATOM 0 HE ARG A 22 2.099 -18.328 0.329 1.00 22.21 H new ATOM 0 HH11 ARG A 22 -0.088 -16.202 -1.449 1.00 75.24 H new ATOM 0 HH12 ARG A 22 -1.398 -16.376 -0.276 1.00 75.24 H new ATOM 0 HH21 ARG A 22 0.412 -18.546 1.832 1.00 23.45 H new ATOM 0 HH22 ARG A 22 -1.116 -17.698 1.574 1.00 23.45 H new ATOM 358 N PRO A 23 6.459 -15.453 -0.508 1.00 73.13 N ATOM 359 CA PRO A 23 7.861 -15.868 -0.393 1.00 41.23 C ATOM 360 C PRO A 23 8.319 -16.698 -1.586 1.00 34.04 C ATOM 361 O PRO A 23 9.482 -16.642 -1.984 1.00 14.12 O ATOM 362 CB PRO A 23 7.877 -16.712 0.884 1.00 34.12 C ATOM 363 CG PRO A 23 6.483 -17.219 1.021 1.00 0.22 C ATOM 364 CD PRO A 23 5.594 -16.141 0.465 1.00 74.03 C ATOM 0 HA PRO A 23 8.538 -15.014 -0.365 1.00 41.23 H new ATOM 0 HB2 PRO A 23 8.591 -17.532 0.807 1.00 34.12 H new ATOM 0 HB3 PRO A 23 8.168 -16.116 1.749 1.00 34.12 H new ATOM 0 HG2 PRO A 23 6.352 -18.153 0.475 1.00 0.22 H new ATOM 0 HG3 PRO A 23 6.243 -17.423 2.064 1.00 0.22 H new ATOM 0 HD2 PRO A 23 4.706 -16.558 -0.011 1.00 74.03 H new ATOM 0 HD3 PRO A 23 5.249 -15.463 1.245 1.00 74.03 H new ATOM 372 N GLY A 24 7.397 -17.468 -2.154 1.00 31.44 N ATOM 373 CA GLY A 24 7.727 -18.299 -3.298 1.00 60.23 C ATOM 374 C GLY A 24 7.278 -17.686 -4.610 1.00 63.13 C ATOM 375 O GLY A 24 7.987 -17.757 -5.612 1.00 51.15 O ATOM 0 H GLY A 24 6.428 -17.532 -1.843 1.00 31.44 H new ATOM 0 HA2 GLY A 24 8.805 -18.461 -3.326 1.00 60.23 H new ATOM 0 HA3 GLY A 24 7.261 -19.277 -3.179 1.00 60.23 H new ATOM 379 N GLY A 25 6.092 -17.085 -4.604 1.00 51.53 N ATOM 380 CA GLY A 25 5.567 -16.467 -5.808 1.00 14.32 C ATOM 381 C GLY A 25 6.495 -15.406 -6.367 1.00 41.45 C ATOM 382 O GLY A 25 7.591 -15.193 -5.848 1.00 41.40 O ATOM 0 H GLY A 25 5.485 -17.015 -3.787 1.00 51.53 H new ATOM 0 HA2 GLY A 25 5.401 -17.235 -6.564 1.00 14.32 H new ATOM 0 HA3 GLY A 25 4.598 -16.019 -5.590 1.00 14.32 H new ATOM 386 N LYS A 26 6.056 -14.737 -7.427 1.00 22.32 N ATOM 387 CA LYS A 26 6.853 -13.692 -8.058 1.00 71.30 C ATOM 388 C LYS A 26 6.022 -12.431 -8.276 1.00 34.42 C ATOM 389 O LYS A 26 6.443 -11.513 -8.980 1.00 33.25 O ATOM 390 CB LYS A 26 7.413 -14.185 -9.395 1.00 42.15 C ATOM 391 CG LYS A 26 8.599 -13.378 -9.892 1.00 73.44 C ATOM 392 CD LYS A 26 9.249 -14.030 -11.101 1.00 63.12 C ATOM 393 CE LYS A 26 10.412 -14.922 -10.696 1.00 25.11 C ATOM 394 NZ LYS A 26 10.257 -16.308 -11.220 1.00 43.43 N ATOM 0 H LYS A 26 5.151 -14.900 -7.868 1.00 22.32 H new ATOM 0 HA LYS A 26 7.681 -13.450 -7.392 1.00 71.30 H new ATOM 0 HB2 LYS A 26 7.712 -15.228 -9.292 1.00 42.15 H new ATOM 0 HB3 LYS A 26 6.622 -14.153 -10.145 1.00 42.15 H new ATOM 0 HG2 LYS A 26 8.272 -12.371 -10.152 1.00 73.44 H new ATOM 0 HG3 LYS A 26 9.333 -13.278 -9.093 1.00 73.44 H new ATOM 0 HD2 LYS A 26 8.508 -14.620 -11.640 1.00 63.12 H new ATOM 0 HD3 LYS A 26 9.602 -13.259 -11.786 1.00 63.12 H new ATOM 0 HE2 LYS A 26 11.344 -14.495 -11.068 1.00 25.11 H new ATOM 0 HE3 LYS A 26 10.486 -14.951 -9.609 1.00 25.11 H new ATOM 0 HZ1 LYS A 26 11.070 -16.885 -10.922 1.00 43.43 H new ATOM 0 HZ2 LYS A 26 9.381 -16.725 -10.845 1.00 43.43 H new ATOM 0 HZ3 LYS A 26 10.212 -16.283 -12.259 1.00 43.43 H new ATOM 408 N LYS A 27 4.843 -12.393 -7.667 1.00 1.35 N ATOM 409 CA LYS A 27 3.953 -11.243 -7.793 1.00 73.54 C ATOM 410 C LYS A 27 4.363 -10.132 -6.832 1.00 53.22 C ATOM 411 O LYS A 27 4.959 -10.389 -5.786 1.00 71.25 O ATOM 412 CB LYS A 27 2.507 -11.660 -7.520 1.00 65.21 C ATOM 413 CG LYS A 27 2.006 -12.760 -8.441 1.00 35.42 C ATOM 414 CD LYS A 27 0.532 -13.049 -8.214 1.00 21.41 C ATOM 415 CE LYS A 27 -0.176 -13.387 -9.518 1.00 61.35 C ATOM 416 NZ LYS A 27 0.181 -14.748 -10.006 1.00 0.13 N ATOM 0 H LYS A 27 4.480 -13.145 -7.081 1.00 1.35 H new ATOM 0 HA LYS A 27 4.029 -10.865 -8.812 1.00 73.54 H new ATOM 0 HB2 LYS A 27 2.424 -11.997 -6.487 1.00 65.21 H new ATOM 0 HB3 LYS A 27 1.861 -10.788 -7.624 1.00 65.21 H new ATOM 0 HG2 LYS A 27 2.165 -12.467 -9.479 1.00 35.42 H new ATOM 0 HG3 LYS A 27 2.586 -13.668 -8.274 1.00 35.42 H new ATOM 0 HD2 LYS A 27 0.426 -13.879 -7.515 1.00 21.41 H new ATOM 0 HD3 LYS A 27 0.057 -12.183 -7.754 1.00 21.41 H new ATOM 0 HE2 LYS A 27 -1.254 -13.325 -9.373 1.00 61.35 H new ATOM 0 HE3 LYS A 27 0.087 -12.649 -10.276 1.00 61.35 H new ATOM 0 HZ1 LYS A 27 -0.321 -14.941 -10.896 1.00 0.13 H new ATOM 0 HZ2 LYS A 27 1.207 -14.800 -10.169 1.00 0.13 H new ATOM 0 HZ3 LYS A 27 -0.093 -15.455 -9.294 1.00 0.13 H new ATOM 430 N LYS A 28 4.039 -8.895 -7.193 1.00 11.23 N ATOM 431 CA LYS A 28 4.370 -7.743 -6.362 1.00 2.03 C ATOM 432 C LYS A 28 3.109 -6.995 -5.942 1.00 42.01 C ATOM 433 O LYS A 28 2.053 -7.145 -6.557 1.00 64.32 O ATOM 434 CB LYS A 28 5.309 -6.799 -7.116 1.00 43.02 C ATOM 435 CG LYS A 28 6.661 -7.412 -7.436 1.00 31.40 C ATOM 436 CD LYS A 28 7.104 -7.079 -8.851 1.00 63.35 C ATOM 437 CE LYS A 28 7.042 -8.300 -9.756 1.00 74.33 C ATOM 438 NZ LYS A 28 5.785 -8.338 -10.551 1.00 22.22 N ATOM 0 H LYS A 28 3.547 -8.664 -8.056 1.00 11.23 H new ATOM 0 HA LYS A 28 4.872 -8.105 -5.465 1.00 2.03 H new ATOM 0 HB2 LYS A 28 4.830 -6.490 -8.045 1.00 43.02 H new ATOM 0 HB3 LYS A 28 5.460 -5.898 -6.521 1.00 43.02 H new ATOM 0 HG2 LYS A 28 7.404 -7.048 -6.726 1.00 31.40 H new ATOM 0 HG3 LYS A 28 6.609 -8.494 -7.315 1.00 31.40 H new ATOM 0 HD2 LYS A 28 6.469 -6.292 -9.257 1.00 63.35 H new ATOM 0 HD3 LYS A 28 8.122 -6.690 -8.833 1.00 63.35 H new ATOM 0 HE2 LYS A 28 7.898 -8.296 -10.431 1.00 74.33 H new ATOM 0 HE3 LYS A 28 7.117 -9.204 -9.152 1.00 74.33 H new ATOM 0 HZ1 LYS A 28 5.781 -9.185 -11.155 1.00 22.22 H new ATOM 0 HZ2 LYS A 28 4.968 -8.368 -9.908 1.00 22.22 H new ATOM 0 HZ3 LYS A 28 5.725 -7.488 -11.147 1.00 22.22 H new ATOM 452 N TYR A 29 3.227 -6.189 -4.893 1.00 25.32 N ATOM 453 CA TYR A 29 2.096 -5.418 -4.390 1.00 60.32 C ATOM 454 C TYR A 29 1.674 -4.351 -5.395 1.00 31.20 C ATOM 455 O TYR A 29 2.504 -3.807 -6.124 1.00 33.12 O ATOM 456 CB TYR A 29 2.451 -4.764 -3.054 1.00 24.31 C ATOM 457 CG TYR A 29 2.201 -5.656 -1.858 1.00 11.20 C ATOM 458 CD1 TYR A 29 0.924 -5.798 -1.328 1.00 12.25 C ATOM 459 CD2 TYR A 29 3.241 -6.354 -1.258 1.00 71.13 C ATOM 460 CE1 TYR A 29 0.691 -6.611 -0.236 1.00 43.34 C ATOM 461 CE2 TYR A 29 3.016 -7.170 -0.166 1.00 54.23 C ATOM 462 CZ TYR A 29 1.740 -7.295 0.342 1.00 22.34 C ATOM 463 OH TYR A 29 1.513 -8.106 1.430 1.00 12.20 O ATOM 0 H TYR A 29 4.095 -6.052 -4.374 1.00 25.32 H new ATOM 0 HA TYR A 29 1.260 -6.102 -4.241 1.00 60.32 H new ATOM 0 HB2 TYR A 29 3.502 -4.475 -3.068 1.00 24.31 H new ATOM 0 HB3 TYR A 29 1.870 -3.848 -2.942 1.00 24.31 H new ATOM 0 HD1 TYR A 29 0.100 -5.264 -1.778 1.00 12.25 H new ATOM 0 HD2 TYR A 29 4.242 -6.257 -1.651 1.00 71.13 H new ATOM 0 HE1 TYR A 29 -0.308 -6.711 0.163 1.00 43.34 H new ATOM 0 HE2 TYR A 29 3.836 -7.707 0.288 1.00 54.23 H new ATOM 0 HH TYR A 29 1.006 -8.896 1.149 1.00 12.20 H new ATOM 473 N ARG A 30 0.379 -4.056 -5.427 1.00 22.03 N ATOM 474 CA ARG A 30 -0.155 -3.055 -6.342 1.00 13.22 C ATOM 475 C ARG A 30 -1.375 -2.364 -5.741 1.00 50.30 C ATOM 476 O ARG A 30 -1.944 -2.832 -4.754 1.00 60.22 O ATOM 477 CB ARG A 30 -0.527 -3.701 -7.678 1.00 43.30 C ATOM 478 CG ARG A 30 0.169 -3.072 -8.874 1.00 31.23 C ATOM 479 CD ARG A 30 -0.111 -3.847 -10.153 1.00 74.42 C ATOM 480 NE ARG A 30 -1.373 -3.448 -10.769 1.00 61.34 N ATOM 481 CZ ARG A 30 -1.963 -4.132 -11.744 1.00 55.40 C ATOM 482 NH1 ARG A 30 -1.407 -5.242 -12.209 1.00 4.44 N ATOM 483 NH2 ARG A 30 -3.111 -3.705 -12.253 1.00 21.13 N ATOM 0 H ARG A 30 -0.320 -4.496 -4.829 1.00 22.03 H new ATOM 0 HA ARG A 30 0.618 -2.305 -6.512 1.00 13.22 H new ATOM 0 HB2 ARG A 30 -0.279 -4.762 -7.641 1.00 43.30 H new ATOM 0 HB3 ARG A 30 -1.606 -3.631 -7.818 1.00 43.30 H new ATOM 0 HG2 ARG A 30 -0.166 -2.041 -8.991 1.00 31.23 H new ATOM 0 HG3 ARG A 30 1.244 -3.039 -8.695 1.00 31.23 H new ATOM 0 HD2 ARG A 30 0.704 -3.687 -10.859 1.00 74.42 H new ATOM 0 HD3 ARG A 30 -0.137 -4.914 -9.932 1.00 74.42 H new ATOM 0 HE ARG A 30 -1.826 -2.598 -10.433 1.00 61.34 H new ATOM 0 HH11 ARG A 30 -0.525 -5.573 -11.818 1.00 4.44 H new ATOM 0 HH12 ARG A 30 -1.862 -5.765 -12.957 1.00 4.44 H new ATOM 0 HH21 ARG A 30 -3.541 -2.852 -11.896 1.00 21.13 H new ATOM 0 HH22 ARG A 30 -3.564 -4.230 -13.001 1.00 21.13 H new ATOM 497 N LEU A 31 -1.772 -1.248 -6.342 1.00 63.11 N ATOM 498 CA LEU A 31 -2.926 -0.491 -5.867 1.00 73.45 C ATOM 499 C LEU A 31 -4.123 -1.408 -5.641 1.00 11.11 C ATOM 500 O LEU A 31 -4.931 -1.183 -4.740 1.00 43.13 O ATOM 501 CB LEU A 31 -3.289 0.606 -6.868 1.00 3.12 C ATOM 502 CG LEU A 31 -3.422 2.018 -6.297 1.00 1.41 C ATOM 503 CD1 LEU A 31 -2.050 2.624 -6.047 1.00 3.52 C ATOM 504 CD2 LEU A 31 -4.233 2.899 -7.237 1.00 32.42 C ATOM 0 H LEU A 31 -1.312 -0.847 -7.159 1.00 63.11 H new ATOM 0 HA LEU A 31 -2.661 -0.031 -4.915 1.00 73.45 H new ATOM 0 HB2 LEU A 31 -2.530 0.622 -7.650 1.00 3.12 H new ATOM 0 HB3 LEU A 31 -4.232 0.338 -7.344 1.00 3.12 H new ATOM 0 HG LEU A 31 -3.948 1.956 -5.344 1.00 1.41 H new ATOM 0 HD11 LEU A 31 -2.165 3.629 -5.641 1.00 3.52 H new ATOM 0 HD12 LEU A 31 -1.503 2.005 -5.336 1.00 3.52 H new ATOM 0 HD13 LEU A 31 -1.497 2.673 -6.985 1.00 3.52 H new ATOM 0 HD21 LEU A 31 -4.318 3.900 -6.815 1.00 32.42 H new ATOM 0 HD22 LEU A 31 -3.734 2.954 -8.205 1.00 32.42 H new ATOM 0 HD23 LEU A 31 -5.229 2.474 -7.366 1.00 32.42 H new ATOM 516 N LYS A 32 -4.231 -2.444 -6.466 1.00 23.33 N ATOM 517 CA LYS A 32 -5.328 -3.399 -6.357 1.00 63.44 C ATOM 518 C LYS A 32 -5.463 -3.912 -4.926 1.00 12.54 C ATOM 519 O LYS A 32 -6.567 -4.000 -4.389 1.00 53.43 O ATOM 520 CB LYS A 32 -5.106 -4.574 -7.312 1.00 73.32 C ATOM 521 CG LYS A 32 -6.293 -4.855 -8.216 1.00 61.31 C ATOM 522 CD LYS A 32 -6.037 -6.051 -9.117 1.00 33.51 C ATOM 523 CE LYS A 32 -7.313 -6.518 -9.801 1.00 74.31 C ATOM 524 NZ LYS A 32 -7.646 -7.927 -9.450 1.00 5.42 N ATOM 0 H LYS A 32 -3.572 -2.644 -7.218 1.00 23.33 H new ATOM 0 HA LYS A 32 -6.251 -2.887 -6.630 1.00 63.44 H new ATOM 0 HB2 LYS A 32 -4.231 -4.370 -7.929 1.00 73.32 H new ATOM 0 HB3 LYS A 32 -4.884 -5.468 -6.729 1.00 73.32 H new ATOM 0 HG2 LYS A 32 -7.179 -5.039 -7.608 1.00 61.31 H new ATOM 0 HG3 LYS A 32 -6.502 -3.977 -8.827 1.00 61.31 H new ATOM 0 HD2 LYS A 32 -5.295 -5.788 -9.870 1.00 33.51 H new ATOM 0 HD3 LYS A 32 -5.618 -6.868 -8.529 1.00 33.51 H new ATOM 0 HE2 LYS A 32 -8.139 -5.867 -9.513 1.00 74.31 H new ATOM 0 HE3 LYS A 32 -7.199 -6.430 -10.881 1.00 74.31 H new ATOM 0 HZ1 LYS A 32 -8.522 -8.208 -9.936 1.00 5.42 H new ATOM 0 HZ2 LYS A 32 -6.869 -8.552 -9.747 1.00 5.42 H new ATOM 0 HZ3 LYS A 32 -7.780 -8.006 -8.422 1.00 5.42 H new ATOM 538 N HIS A 33 -4.331 -4.247 -4.314 1.00 42.25 N ATOM 539 CA HIS A 33 -4.323 -4.749 -2.944 1.00 54.45 C ATOM 540 C HIS A 33 -4.723 -3.651 -1.962 1.00 73.21 C ATOM 541 O HIS A 33 -5.274 -4.001 -0.918 1.00 40.25 O ATOM 542 CB HIS A 33 -2.938 -5.291 -2.584 1.00 4.31 C ATOM 543 CG HIS A 33 -2.444 -6.341 -3.531 1.00 74.12 C ATOM 544 ND1 HIS A 33 -1.379 -6.144 -4.385 1.00 4.01 N ATOM 545 CD2 HIS A 33 -2.872 -7.606 -3.752 1.00 1.32 C ATOM 546 CE1 HIS A 33 -1.176 -7.240 -5.092 1.00 32.42 C ATOM 547 NE2 HIS A 33 -2.068 -8.144 -4.726 1.00 5.34 N ATOM 0 H HIS A 33 -3.409 -4.180 -4.744 1.00 42.25 H new ATOM 0 HA HIS A 33 -5.050 -5.558 -2.875 1.00 54.45 H new ATOM 0 HB2 HIS A 33 -2.227 -4.465 -2.566 1.00 4.31 H new ATOM 0 HB3 HIS A 33 -2.969 -5.707 -1.577 1.00 4.31 H new ATOM 0 HD2 HIS A 33 -3.693 -8.100 -3.255 1.00 1.32 H new ATOM 0 HE1 HIS A 33 -0.411 -7.375 -5.842 1.00 32.42 H new ATOM 0 HE2 HIS A 33 -2.146 -9.088 -5.105 1.00 5.34 H new ATOM 555 N ILE A 34 -4.468 -2.381 -2.256 1.00 22.11 N ATOM 556 CA ILE A 34 -4.833 -1.299 -1.350 1.00 30.33 C ATOM 557 C ILE A 34 -6.342 -1.087 -1.325 1.00 24.40 C ATOM 558 O ILE A 34 -6.923 -0.798 -0.279 1.00 55.31 O ATOM 559 CB ILE A 34 -4.147 0.021 -1.745 1.00 53.54 C ATOM 560 CG1 ILE A 34 -2.681 -0.228 -2.109 1.00 1.14 C ATOM 561 CG2 ILE A 34 -4.252 1.032 -0.613 1.00 14.30 C ATOM 562 CD1 ILE A 34 -1.907 1.038 -2.401 1.00 35.24 C ATOM 0 H ILE A 34 -4.010 -2.076 -3.115 1.00 22.11 H new ATOM 0 HA ILE A 34 -4.494 -1.592 -0.356 1.00 30.33 H new ATOM 0 HB ILE A 34 -4.655 0.429 -2.619 1.00 53.54 H new ATOM 0 HG12 ILE A 34 -2.197 -0.759 -1.290 1.00 1.14 H new ATOM 0 HG13 ILE A 34 -2.637 -0.880 -2.981 1.00 1.14 H new ATOM 0 HG21 ILE A 34 -3.762 1.960 -0.908 1.00 14.30 H new ATOM 0 HG22 ILE A 34 -5.302 1.229 -0.397 1.00 14.30 H new ATOM 0 HG23 ILE A 34 -3.767 0.633 0.278 1.00 14.30 H new ATOM 0 HD11 ILE A 34 -0.877 0.785 -2.651 1.00 35.24 H new ATOM 0 HD12 ILE A 34 -2.367 1.560 -3.240 1.00 35.24 H new ATOM 0 HD13 ILE A 34 -1.919 1.683 -1.522 1.00 35.24 H new ATOM 574 N VAL A 35 -6.974 -1.235 -2.486 1.00 61.13 N ATOM 575 CA VAL A 35 -8.417 -1.062 -2.598 1.00 21.10 C ATOM 576 C VAL A 35 -9.160 -2.053 -1.709 1.00 73.30 C ATOM 577 O VAL A 35 -10.057 -1.676 -0.956 1.00 53.24 O ATOM 578 CB VAL A 35 -8.892 -1.239 -4.053 1.00 43.52 C ATOM 579 CG1 VAL A 35 -10.409 -1.154 -4.133 1.00 72.14 C ATOM 580 CG2 VAL A 35 -8.244 -0.200 -4.954 1.00 13.41 C ATOM 0 H VAL A 35 -6.509 -1.474 -3.362 1.00 61.13 H new ATOM 0 HA VAL A 35 -8.640 -0.046 -2.271 1.00 21.10 H new ATOM 0 HB VAL A 35 -8.588 -2.227 -4.399 1.00 43.52 H new ATOM 0 HG11 VAL A 35 -10.726 -1.281 -5.168 1.00 72.14 H new ATOM 0 HG12 VAL A 35 -10.850 -1.939 -3.519 1.00 72.14 H new ATOM 0 HG13 VAL A 35 -10.739 -0.181 -3.769 1.00 72.14 H new ATOM 0 HG21 VAL A 35 -8.591 -0.340 -5.978 1.00 13.41 H new ATOM 0 HG22 VAL A 35 -8.516 0.799 -4.612 1.00 13.41 H new ATOM 0 HG23 VAL A 35 -7.160 -0.313 -4.919 1.00 13.41 H new ATOM 590 N TRP A 36 -8.779 -3.323 -1.802 1.00 62.21 N ATOM 591 CA TRP A 36 -9.409 -4.370 -1.004 1.00 4.52 C ATOM 592 C TRP A 36 -9.216 -4.110 0.485 1.00 43.34 C ATOM 593 O TRP A 36 -10.049 -4.496 1.305 1.00 71.15 O ATOM 594 CB TRP A 36 -8.834 -5.737 -1.375 1.00 71.41 C ATOM 595 CG TRP A 36 -9.490 -6.873 -0.650 1.00 31.32 C ATOM 596 CD1 TRP A 36 -10.530 -7.638 -1.096 1.00 54.20 C ATOM 597 CD2 TRP A 36 -9.150 -7.372 0.649 1.00 10.13 C ATOM 598 NE1 TRP A 36 -10.858 -8.582 -0.152 1.00 53.23 N ATOM 599 CE2 TRP A 36 -10.025 -8.440 0.927 1.00 64.11 C ATOM 600 CE3 TRP A 36 -8.190 -7.021 1.603 1.00 25.34 C ATOM 601 CZ2 TRP A 36 -9.968 -9.157 2.119 1.00 43.34 C ATOM 602 CZ3 TRP A 36 -8.136 -7.734 2.785 1.00 43.35 C ATOM 603 CH2 TRP A 36 -9.020 -8.792 3.035 1.00 72.13 C ATOM 0 H TRP A 36 -8.038 -3.652 -2.421 1.00 62.21 H new ATOM 0 HA TRP A 36 -10.478 -4.363 -1.219 1.00 4.52 H new ATOM 0 HB2 TRP A 36 -8.942 -5.890 -2.449 1.00 71.41 H new ATOM 0 HB3 TRP A 36 -7.766 -5.745 -1.158 1.00 71.41 H new ATOM 0 HD1 TRP A 36 -11.022 -7.519 -2.050 1.00 54.20 H new ATOM 0 HE1 TRP A 36 -11.601 -9.276 -0.240 1.00 53.23 H new ATOM 0 HE3 TRP A 36 -7.504 -6.208 1.419 1.00 25.34 H new ATOM 0 HZ2 TRP A 36 -10.648 -9.973 2.314 1.00 43.34 H new ATOM 0 HZ3 TRP A 36 -7.399 -7.471 3.530 1.00 43.35 H new ATOM 0 HH2 TRP A 36 -8.952 -9.330 3.969 1.00 72.13 H new ATOM 614 N ALA A 37 -8.113 -3.452 0.830 1.00 3.13 N ATOM 615 CA ALA A 37 -7.813 -3.139 2.220 1.00 43.24 C ATOM 616 C ALA A 37 -8.784 -2.100 2.771 1.00 61.33 C ATOM 617 O ALA A 37 -9.386 -2.297 3.826 1.00 13.21 O ATOM 618 CB ALA A 37 -6.379 -2.647 2.354 1.00 21.22 C ATOM 0 H ALA A 37 -7.413 -3.126 0.164 1.00 3.13 H new ATOM 0 HA ALA A 37 -7.928 -4.052 2.804 1.00 43.24 H new ATOM 0 HB1 ALA A 37 -6.169 -2.417 3.399 1.00 21.22 H new ATOM 0 HB2 ALA A 37 -5.695 -3.422 2.009 1.00 21.22 H new ATOM 0 HB3 ALA A 37 -6.245 -1.749 1.751 1.00 21.22 H new ATOM 624 N ALA A 38 -8.931 -0.993 2.050 1.00 74.34 N ATOM 625 CA ALA A 38 -9.829 0.077 2.467 1.00 2.02 C ATOM 626 C ALA A 38 -11.240 -0.452 2.700 1.00 70.32 C ATOM 627 O ALA A 38 -11.940 0.001 3.605 1.00 24.40 O ATOM 628 CB ALA A 38 -9.844 1.187 1.427 1.00 43.15 C ATOM 0 H ALA A 38 -8.440 -0.814 1.174 1.00 74.34 H new ATOM 0 HA ALA A 38 -9.461 0.482 3.409 1.00 2.02 H new ATOM 0 HB1 ALA A 38 -10.518 1.980 1.751 1.00 43.15 H new ATOM 0 HB2 ALA A 38 -8.838 1.591 1.311 1.00 43.15 H new ATOM 0 HB3 ALA A 38 -10.186 0.787 0.473 1.00 43.15 H new ATOM 634 N ASN A 39 -11.651 -1.412 1.878 1.00 44.12 N ATOM 635 CA ASN A 39 -12.980 -2.001 1.996 1.00 23.01 C ATOM 636 C ASN A 39 -13.183 -2.613 3.378 1.00 23.32 C ATOM 637 O ASN A 39 -14.300 -2.645 3.897 1.00 51.14 O ATOM 638 CB ASN A 39 -13.184 -3.068 0.918 1.00 50.01 C ATOM 639 CG ASN A 39 -14.466 -2.859 0.134 1.00 72.55 C ATOM 640 OD1 ASN A 39 -14.491 -2.120 -0.850 1.00 25.33 O ATOM 641 ND2 ASN A 39 -15.538 -3.513 0.568 1.00 74.12 N ATOM 0 H ASN A 39 -11.084 -1.798 1.124 1.00 44.12 H new ATOM 0 HA ASN A 39 -13.716 -1.209 1.858 1.00 23.01 H new ATOM 0 HB2 ASN A 39 -12.336 -3.056 0.233 1.00 50.01 H new ATOM 0 HB3 ASN A 39 -13.203 -4.053 1.384 1.00 50.01 H new ATOM 0 HD21 ASN A 39 -16.428 -3.413 0.081 1.00 74.12 H new ATOM 0 HD22 ASN A 39 -15.471 -4.115 1.389 1.00 74.12 H new ATOM 648 N LYS A 40 -12.098 -3.100 3.969 1.00 1.00 N ATOM 649 CA LYS A 40 -12.155 -3.710 5.293 1.00 21.41 C ATOM 650 C LYS A 40 -12.284 -2.646 6.378 1.00 35.03 C ATOM 651 O LYS A 40 -13.133 -2.748 7.264 1.00 54.23 O ATOM 652 CB LYS A 40 -10.905 -4.558 5.540 1.00 25.14 C ATOM 653 CG LYS A 40 -11.090 -6.028 5.204 1.00 41.21 C ATOM 654 CD LYS A 40 -12.092 -6.691 6.133 1.00 45.51 C ATOM 655 CE LYS A 40 -11.589 -8.038 6.626 1.00 62.24 C ATOM 656 NZ LYS A 40 -11.726 -9.095 5.588 1.00 21.22 N ATOM 0 H LYS A 40 -11.167 -3.084 3.552 1.00 1.00 H new ATOM 0 HA LYS A 40 -13.035 -4.351 5.333 1.00 21.41 H new ATOM 0 HB2 LYS A 40 -10.083 -4.159 4.946 1.00 25.14 H new ATOM 0 HB3 LYS A 40 -10.616 -4.467 6.587 1.00 25.14 H new ATOM 0 HG2 LYS A 40 -11.429 -6.126 4.173 1.00 41.21 H new ATOM 0 HG3 LYS A 40 -10.131 -6.542 5.275 1.00 41.21 H new ATOM 0 HD2 LYS A 40 -12.286 -6.040 6.985 1.00 45.51 H new ATOM 0 HD3 LYS A 40 -13.040 -6.824 5.612 1.00 45.51 H new ATOM 0 HE2 LYS A 40 -10.543 -7.950 6.919 1.00 62.24 H new ATOM 0 HE3 LYS A 40 -12.146 -8.330 7.517 1.00 62.24 H new ATOM 0 HZ1 LYS A 40 -12.103 -9.961 6.022 1.00 21.22 H new ATOM 0 HZ2 LYS A 40 -12.376 -8.769 4.844 1.00 21.22 H new ATOM 0 HZ3 LYS A 40 -10.795 -9.294 5.171 1.00 21.22 H new ATOM 670 N LEU A 41 -11.438 -1.624 6.301 1.00 52.12 N ATOM 671 CA LEU A 41 -11.458 -0.540 7.276 1.00 44.41 C ATOM 672 C LEU A 41 -12.853 0.066 7.388 1.00 0.41 C ATOM 673 O LEU A 41 -13.212 0.637 8.418 1.00 41.41 O ATOM 674 CB LEU A 41 -10.450 0.542 6.885 1.00 40.50 C ATOM 675 CG LEU A 41 -8.976 0.138 6.938 1.00 45.14 C ATOM 676 CD1 LEU A 41 -8.133 1.075 6.087 1.00 65.23 C ATOM 677 CD2 LEU A 41 -8.478 0.127 8.377 1.00 22.10 C ATOM 0 H LEU A 41 -10.730 -1.524 5.574 1.00 52.12 H new ATOM 0 HA LEU A 41 -11.182 -0.952 8.247 1.00 44.41 H new ATOM 0 HB2 LEU A 41 -10.679 0.874 5.872 1.00 40.50 H new ATOM 0 HB3 LEU A 41 -10.595 1.400 7.542 1.00 40.50 H new ATOM 0 HG LEU A 41 -8.881 -0.870 6.533 1.00 45.14 H new ATOM 0 HD11 LEU A 41 -7.087 0.771 6.138 1.00 65.23 H new ATOM 0 HD12 LEU A 41 -8.474 1.032 5.052 1.00 65.23 H new ATOM 0 HD13 LEU A 41 -8.233 2.094 6.460 1.00 65.23 H new ATOM 0 HD21 LEU A 41 -7.427 -0.163 8.396 1.00 22.10 H new ATOM 0 HD22 LEU A 41 -8.588 1.122 8.808 1.00 22.10 H new ATOM 0 HD23 LEU A 41 -9.062 -0.587 8.959 1.00 22.10 H new ATOM 689 N ASP A 42 -13.637 -0.064 6.322 1.00 52.20 N ATOM 690 CA ASP A 42 -14.995 0.467 6.302 1.00 35.22 C ATOM 691 C ASP A 42 -15.922 -0.378 7.169 1.00 55.35 C ATOM 692 O ASP A 42 -16.617 0.143 8.043 1.00 2.43 O ATOM 693 CB ASP A 42 -15.523 0.518 4.868 1.00 61.41 C ATOM 694 CG ASP A 42 -16.476 1.676 4.643 1.00 33.41 C ATOM 695 OD1 ASP A 42 -16.005 2.831 4.602 1.00 21.12 O ATOM 696 OD2 ASP A 42 -17.692 1.426 4.507 1.00 73.33 O ATOM 0 H ASP A 42 -13.355 -0.533 5.461 1.00 52.20 H new ATOM 0 HA ASP A 42 -14.970 1.478 6.708 1.00 35.22 H new ATOM 0 HB2 ASP A 42 -14.684 0.602 4.178 1.00 61.41 H new ATOM 0 HB3 ASP A 42 -16.032 -0.418 4.638 1.00 61.41 H new ATOM 701 N ARG A 43 -15.927 -1.683 6.924 1.00 24.41 N ATOM 702 CA ARG A 43 -16.771 -2.600 7.681 1.00 4.54 C ATOM 703 C ARG A 43 -16.587 -2.393 9.182 1.00 61.31 C ATOM 704 O ARG A 43 -17.473 -2.712 9.976 1.00 74.23 O ATOM 705 CB ARG A 43 -16.448 -4.048 7.311 1.00 72.51 C ATOM 706 CG ARG A 43 -17.447 -4.669 6.349 1.00 63.31 C ATOM 707 CD ARG A 43 -17.233 -6.169 6.214 1.00 64.42 C ATOM 708 NE ARG A 43 -17.376 -6.860 7.494 1.00 3.34 N ATOM 709 CZ ARG A 43 -18.550 -7.135 8.053 1.00 51.24 C ATOM 710 NH1 ARG A 43 -19.675 -6.780 7.449 1.00 31.22 N ATOM 711 NH2 ARG A 43 -18.598 -7.766 9.219 1.00 73.25 N ATOM 0 H ARG A 43 -15.356 -2.130 6.207 1.00 24.41 H new ATOM 0 HA ARG A 43 -17.810 -2.392 7.427 1.00 4.54 H new ATOM 0 HB2 ARG A 43 -15.454 -4.087 6.865 1.00 72.51 H new ATOM 0 HB3 ARG A 43 -16.412 -4.647 8.221 1.00 72.51 H new ATOM 0 HG2 ARG A 43 -18.461 -4.475 6.700 1.00 63.31 H new ATOM 0 HG3 ARG A 43 -17.353 -4.198 5.371 1.00 63.31 H new ATOM 0 HD2 ARG A 43 -17.951 -6.575 5.501 1.00 64.42 H new ATOM 0 HD3 ARG A 43 -16.239 -6.358 5.809 1.00 64.42 H new ATOM 0 HE ARG A 43 -16.529 -7.147 7.985 1.00 3.34 H new ATOM 0 HH11 ARG A 43 -19.641 -6.294 6.553 1.00 31.22 H new ATOM 0 HH12 ARG A 43 -20.574 -6.992 7.880 1.00 31.22 H new ATOM 0 HH21 ARG A 43 -17.734 -8.040 9.687 1.00 73.25 H new ATOM 0 HH22 ARG A 43 -19.499 -7.977 9.648 1.00 73.25 H new ATOM 725 N PHE A 44 -15.432 -1.859 9.563 1.00 61.12 N ATOM 726 CA PHE A 44 -15.131 -1.612 10.969 1.00 35.11 C ATOM 727 C PHE A 44 -15.408 -0.157 11.336 1.00 0.22 C ATOM 728 O PHE A 44 -15.972 0.132 12.390 1.00 2.10 O ATOM 729 CB PHE A 44 -13.671 -1.957 11.268 1.00 14.02 C ATOM 730 CG PHE A 44 -13.385 -3.431 11.238 1.00 53.11 C ATOM 731 CD1 PHE A 44 -13.923 -4.274 12.198 1.00 1.45 C ATOM 732 CD2 PHE A 44 -12.577 -3.974 10.252 1.00 21.11 C ATOM 733 CE1 PHE A 44 -13.660 -5.630 12.173 1.00 1.11 C ATOM 734 CE2 PHE A 44 -12.311 -5.330 10.223 1.00 21.23 C ATOM 735 CZ PHE A 44 -12.854 -6.159 11.184 1.00 64.12 C ATOM 0 H PHE A 44 -14.689 -1.589 8.919 1.00 61.12 H new ATOM 0 HA PHE A 44 -15.778 -2.250 11.571 1.00 35.11 H new ATOM 0 HB2 PHE A 44 -13.032 -1.456 10.541 1.00 14.02 H new ATOM 0 HB3 PHE A 44 -13.407 -1.564 12.250 1.00 14.02 H new ATOM 0 HD1 PHE A 44 -14.554 -3.866 12.974 1.00 1.45 H new ATOM 0 HD2 PHE A 44 -12.150 -3.330 9.497 1.00 21.11 H new ATOM 0 HE1 PHE A 44 -14.085 -6.276 12.927 1.00 1.11 H new ATOM 0 HE2 PHE A 44 -11.679 -5.741 9.449 1.00 21.23 H new ATOM 0 HZ PHE A 44 -12.649 -7.219 11.163 1.00 64.12 H new ATOM 745 N GLY A 45 -15.004 0.756 10.457 1.00 64.24 N ATOM 746 CA GLY A 45 -15.216 2.170 10.707 1.00 65.32 C ATOM 747 C GLY A 45 -13.980 3.001 10.423 1.00 30.13 C ATOM 748 O GLY A 45 -14.072 4.088 9.851 1.00 70.41 O ATOM 0 H GLY A 45 -14.534 0.542 9.577 1.00 64.24 H new ATOM 0 HA2 GLY A 45 -16.039 2.526 10.088 1.00 65.32 H new ATOM 0 HA3 GLY A 45 -15.514 2.311 11.746 1.00 65.32 H new ATOM 752 N LEU A 46 -12.821 2.489 10.822 1.00 12.30 N ATOM 753 CA LEU A 46 -11.561 3.192 10.608 1.00 51.15 C ATOM 754 C LEU A 46 -11.511 3.809 9.215 1.00 11.35 C ATOM 755 O LEU A 46 -12.013 3.231 8.251 1.00 32.23 O ATOM 756 CB LEU A 46 -10.382 2.236 10.798 1.00 30.02 C ATOM 757 CG LEU A 46 -9.712 2.260 12.171 1.00 75.34 C ATOM 758 CD1 LEU A 46 -9.862 0.914 12.863 1.00 22.42 C ATOM 759 CD2 LEU A 46 -8.242 2.635 12.042 1.00 22.51 C ATOM 0 H LEU A 46 -12.728 1.590 11.295 1.00 12.30 H new ATOM 0 HA LEU A 46 -11.492 3.994 11.343 1.00 51.15 H new ATOM 0 HB2 LEU A 46 -10.728 1.221 10.603 1.00 30.02 H new ATOM 0 HB3 LEU A 46 -9.629 2.466 10.045 1.00 30.02 H new ATOM 0 HG LEU A 46 -10.207 3.016 12.781 1.00 75.34 H new ATOM 0 HD11 LEU A 46 -9.378 0.951 13.839 1.00 22.42 H new ATOM 0 HD12 LEU A 46 -10.920 0.686 12.991 1.00 22.42 H new ATOM 0 HD13 LEU A 46 -9.395 0.139 12.256 1.00 22.42 H new ATOM 0 HD21 LEU A 46 -7.782 2.647 13.030 1.00 22.51 H new ATOM 0 HD22 LEU A 46 -7.734 1.904 11.414 1.00 22.51 H new ATOM 0 HD23 LEU A 46 -8.157 3.623 11.590 1.00 22.51 H new ATOM 771 N ALA A 47 -10.902 4.986 9.115 1.00 32.44 N ATOM 772 CA ALA A 47 -10.782 5.679 7.838 1.00 44.44 C ATOM 773 C ALA A 47 -9.727 5.024 6.954 1.00 61.14 C ATOM 774 O ALA A 47 -8.667 4.622 7.433 1.00 31.05 O ATOM 775 CB ALA A 47 -10.448 7.147 8.064 1.00 33.24 C ATOM 0 H ALA A 47 -10.484 5.480 9.903 1.00 32.44 H new ATOM 0 HA ALA A 47 -11.741 5.611 7.324 1.00 44.44 H new ATOM 0 HB1 ALA A 47 -10.361 7.653 7.102 1.00 33.24 H new ATOM 0 HB2 ALA A 47 -11.240 7.614 8.650 1.00 33.24 H new ATOM 0 HB3 ALA A 47 -9.504 7.227 8.602 1.00 33.24 H new ATOM 781 N GLU A 48 -10.025 4.920 5.663 1.00 51.10 N ATOM 782 CA GLU A 48 -9.101 4.312 4.713 1.00 72.22 C ATOM 783 C GLU A 48 -7.904 5.224 4.457 1.00 2.45 C ATOM 784 O GLU A 48 -6.854 4.775 3.999 1.00 21.32 O ATOM 785 CB GLU A 48 -9.815 4.007 3.395 1.00 41.50 C ATOM 786 CG GLU A 48 -10.551 5.203 2.812 1.00 33.14 C ATOM 787 CD GLU A 48 -12.000 4.894 2.487 1.00 55.14 C ATOM 788 OE1 GLU A 48 -12.244 3.983 1.670 1.00 41.43 O ATOM 789 OE2 GLU A 48 -12.889 5.566 3.052 1.00 61.32 O ATOM 0 H GLU A 48 -10.898 5.249 5.251 1.00 51.10 H new ATOM 0 HA GLU A 48 -8.739 3.379 5.145 1.00 72.22 H new ATOM 0 HB2 GLU A 48 -9.084 3.651 2.669 1.00 41.50 H new ATOM 0 HB3 GLU A 48 -10.526 3.196 3.555 1.00 41.50 H new ATOM 0 HG2 GLU A 48 -10.510 6.031 3.520 1.00 33.14 H new ATOM 0 HG3 GLU A 48 -10.042 5.532 1.906 1.00 33.14 H new ATOM 796 N SER A 49 -8.073 6.508 4.755 1.00 1.01 N ATOM 797 CA SER A 49 -7.010 7.486 4.553 1.00 61.44 C ATOM 798 C SER A 49 -5.851 7.235 5.515 1.00 25.13 C ATOM 799 O SER A 49 -4.775 7.816 5.372 1.00 55.44 O ATOM 800 CB SER A 49 -7.549 8.905 4.747 1.00 31.30 C ATOM 801 OG SER A 49 -7.934 9.125 6.093 1.00 10.01 O ATOM 0 H SER A 49 -8.936 6.896 5.137 1.00 1.01 H new ATOM 0 HA SER A 49 -6.643 7.381 3.532 1.00 61.44 H new ATOM 0 HB2 SER A 49 -6.786 9.629 4.461 1.00 31.30 H new ATOM 0 HB3 SER A 49 -8.404 9.066 4.090 1.00 31.30 H new ATOM 0 HG SER A 49 -8.273 10.039 6.191 1.00 10.01 H new ATOM 807 N LEU A 50 -6.081 6.366 6.493 1.00 35.33 N ATOM 808 CA LEU A 50 -5.057 6.036 7.478 1.00 74.41 C ATOM 809 C LEU A 50 -4.051 5.042 6.908 1.00 22.45 C ATOM 810 O LEU A 50 -3.101 4.645 7.584 1.00 43.35 O ATOM 811 CB LEU A 50 -5.702 5.458 8.739 1.00 4.51 C ATOM 812 CG LEU A 50 -6.668 6.383 9.482 1.00 42.33 C ATOM 813 CD1 LEU A 50 -7.396 5.623 10.580 1.00 65.14 C ATOM 814 CD2 LEU A 50 -5.923 7.577 10.062 1.00 11.53 C ATOM 0 H LEU A 50 -6.967 5.878 6.625 1.00 35.33 H new ATOM 0 HA LEU A 50 -4.527 6.953 7.735 1.00 74.41 H new ATOM 0 HB2 LEU A 50 -6.238 4.549 8.465 1.00 4.51 H new ATOM 0 HB3 LEU A 50 -4.909 5.165 9.427 1.00 4.51 H new ATOM 0 HG LEU A 50 -7.408 6.751 8.771 1.00 42.33 H new ATOM 0 HD11 LEU A 50 -8.079 6.297 11.098 1.00 65.14 H new ATOM 0 HD12 LEU A 50 -7.961 4.801 10.140 1.00 65.14 H new ATOM 0 HD13 LEU A 50 -6.671 5.226 11.290 1.00 65.14 H new ATOM 0 HD21 LEU A 50 -6.626 8.224 10.587 1.00 11.53 H new ATOM 0 HD22 LEU A 50 -5.162 7.227 10.759 1.00 11.53 H new ATOM 0 HD23 LEU A 50 -5.448 8.136 9.256 1.00 11.53 H new ATOM 826 N LEU A 51 -4.264 4.644 5.659 1.00 24.24 N ATOM 827 CA LEU A 51 -3.375 3.697 4.994 1.00 63.43 C ATOM 828 C LEU A 51 -2.115 4.394 4.492 1.00 33.20 C ATOM 829 O LEU A 51 -1.241 3.763 3.898 1.00 43.33 O ATOM 830 CB LEU A 51 -4.097 3.020 3.828 1.00 43.42 C ATOM 831 CG LEU A 51 -4.820 1.712 4.153 1.00 54.45 C ATOM 832 CD1 LEU A 51 -5.822 1.370 3.061 1.00 43.45 C ATOM 833 CD2 LEU A 51 -3.819 0.581 4.334 1.00 35.31 C ATOM 0 H LEU A 51 -5.045 4.962 5.086 1.00 24.24 H new ATOM 0 HA LEU A 51 -3.084 2.939 5.721 1.00 63.43 H new ATOM 0 HB2 LEU A 51 -4.824 3.722 3.421 1.00 43.42 H new ATOM 0 HB3 LEU A 51 -3.369 2.823 3.041 1.00 43.42 H new ATOM 0 HG LEU A 51 -5.364 1.842 5.088 1.00 54.45 H new ATOM 0 HD11 LEU A 51 -6.327 0.436 3.310 1.00 43.45 H new ATOM 0 HD12 LEU A 51 -6.558 2.170 2.979 1.00 43.45 H new ATOM 0 HD13 LEU A 51 -5.300 1.259 2.110 1.00 43.45 H new ATOM 0 HD21 LEU A 51 -4.351 -0.342 4.565 1.00 35.31 H new ATOM 0 HD22 LEU A 51 -3.247 0.451 3.415 1.00 35.31 H new ATOM 0 HD23 LEU A 51 -3.141 0.823 5.152 1.00 35.31 H new ATOM 845 N GLU A 52 -2.028 5.698 4.736 1.00 24.42 N ATOM 846 CA GLU A 52 -0.874 6.479 4.309 1.00 23.13 C ATOM 847 C GLU A 52 -0.156 7.090 5.510 1.00 24.32 C ATOM 848 O GLU A 52 0.347 8.211 5.440 1.00 1.21 O ATOM 849 CB GLU A 52 -1.307 7.584 3.343 1.00 61.22 C ATOM 850 CG GLU A 52 -2.389 8.491 3.903 1.00 4.13 C ATOM 851 CD GLU A 52 -2.255 9.924 3.423 1.00 73.01 C ATOM 852 OE1 GLU A 52 -1.317 10.615 3.872 1.00 73.11 O ATOM 853 OE2 GLU A 52 -3.089 10.354 2.598 1.00 60.54 O ATOM 0 H GLU A 52 -2.743 6.235 5.227 1.00 24.42 H new ATOM 0 HA GLU A 52 -0.183 5.809 3.797 1.00 23.13 H new ATOM 0 HB2 GLU A 52 -0.438 8.188 3.081 1.00 61.22 H new ATOM 0 HB3 GLU A 52 -1.668 7.128 2.421 1.00 61.22 H new ATOM 0 HG2 GLU A 52 -3.367 8.105 3.615 1.00 4.13 H new ATOM 0 HG3 GLU A 52 -2.347 8.471 4.992 1.00 4.13 H new ATOM 860 N SER A 53 -0.115 6.344 6.609 1.00 13.22 N ATOM 861 CA SER A 53 0.536 6.814 7.827 1.00 11.13 C ATOM 862 C SER A 53 0.781 5.658 8.791 1.00 41.12 C ATOM 863 O SER A 53 -0.114 4.855 9.057 1.00 73.41 O ATOM 864 CB SER A 53 -0.317 7.888 8.505 1.00 35.33 C ATOM 865 OG SER A 53 -0.480 7.612 9.885 1.00 64.23 O ATOM 0 H SER A 53 -0.524 5.413 6.682 1.00 13.22 H new ATOM 0 HA SER A 53 1.498 7.246 7.553 1.00 11.13 H new ATOM 0 HB2 SER A 53 0.153 8.863 8.379 1.00 35.33 H new ATOM 0 HB3 SER A 53 -1.293 7.940 8.023 1.00 35.33 H new ATOM 0 HG SER A 53 -1.027 8.313 10.296 1.00 64.23 H new ATOM 871 N LYS A 54 2.000 5.580 9.314 1.00 71.43 N ATOM 872 CA LYS A 54 2.366 4.524 10.251 1.00 45.22 C ATOM 873 C LYS A 54 1.417 4.504 11.446 1.00 43.31 C ATOM 874 O LYS A 54 0.891 3.454 11.814 1.00 42.44 O ATOM 875 CB LYS A 54 3.805 4.717 10.734 1.00 11.32 C ATOM 876 CG LYS A 54 4.088 6.113 11.261 1.00 1.21 C ATOM 877 CD LYS A 54 5.574 6.334 11.484 1.00 54.32 C ATOM 878 CE LYS A 54 6.208 7.078 10.319 1.00 40.53 C ATOM 879 NZ LYS A 54 6.286 8.544 10.573 1.00 54.14 N ATOM 0 H LYS A 54 2.752 6.236 9.105 1.00 71.43 H new ATOM 0 HA LYS A 54 2.289 3.569 9.731 1.00 45.22 H new ATOM 0 HB2 LYS A 54 4.016 3.992 11.520 1.00 11.32 H new ATOM 0 HB3 LYS A 54 4.487 4.503 9.911 1.00 11.32 H new ATOM 0 HG2 LYS A 54 3.711 6.853 10.555 1.00 1.21 H new ATOM 0 HG3 LYS A 54 3.552 6.265 12.198 1.00 1.21 H new ATOM 0 HD2 LYS A 54 5.725 6.900 12.404 1.00 54.32 H new ATOM 0 HD3 LYS A 54 6.070 5.372 11.616 1.00 54.32 H new ATOM 0 HE2 LYS A 54 7.209 6.687 10.140 1.00 40.53 H new ATOM 0 HE3 LYS A 54 5.629 6.897 9.414 1.00 40.53 H new ATOM 0 HZ1 LYS A 54 6.724 9.015 9.756 1.00 54.14 H new ATOM 0 HZ2 LYS A 54 5.328 8.923 10.719 1.00 54.14 H new ATOM 0 HZ3 LYS A 54 6.860 8.719 11.422 1.00 54.14 H new ATOM 893 N GLU A 55 1.201 5.672 12.045 1.00 3.35 N ATOM 894 CA GLU A 55 0.315 5.787 13.196 1.00 42.13 C ATOM 895 C GLU A 55 -1.059 5.198 12.887 1.00 31.10 C ATOM 896 O GLU A 55 -1.613 4.438 13.678 1.00 70.25 O ATOM 897 CB GLU A 55 0.171 7.252 13.613 1.00 50.31 C ATOM 898 CG GLU A 55 -0.601 7.444 14.908 1.00 32.32 C ATOM 899 CD GLU A 55 0.059 8.442 15.838 1.00 71.34 C ATOM 900 OE1 GLU A 55 1.305 8.430 15.933 1.00 64.42 O ATOM 901 OE2 GLU A 55 -0.667 9.234 16.472 1.00 42.41 O ATOM 0 H GLU A 55 1.628 6.551 11.752 1.00 3.35 H new ATOM 0 HA GLU A 55 0.756 5.224 14.018 1.00 42.13 H new ATOM 0 HB2 GLU A 55 1.164 7.689 13.724 1.00 50.31 H new ATOM 0 HB3 GLU A 55 -0.331 7.800 12.816 1.00 50.31 H new ATOM 0 HG2 GLU A 55 -1.612 7.781 14.678 1.00 32.32 H new ATOM 0 HG3 GLU A 55 -0.693 6.485 15.417 1.00 32.32 H new ATOM 908 N GLY A 56 -1.603 5.557 11.727 1.00 52.51 N ATOM 909 CA GLY A 56 -2.907 5.057 11.333 1.00 53.23 C ATOM 910 C GLY A 56 -2.927 3.549 11.180 1.00 45.41 C ATOM 911 O GLY A 56 -3.872 2.887 11.611 1.00 55.53 O ATOM 0 H GLY A 56 -1.164 6.185 11.054 1.00 52.51 H new ATOM 0 HA2 GLY A 56 -3.646 5.354 12.077 1.00 53.23 H new ATOM 0 HA3 GLY A 56 -3.200 5.519 10.390 1.00 53.23 H new ATOM 915 N CYS A 57 -1.884 3.005 10.563 1.00 55.00 N ATOM 916 CA CYS A 57 -1.787 1.564 10.352 1.00 13.42 C ATOM 917 C CYS A 57 -1.568 0.834 11.673 1.00 53.52 C ATOM 918 O CYS A 57 -2.043 -0.285 11.860 1.00 11.44 O ATOM 919 CB CYS A 57 -0.646 1.247 9.384 1.00 43.11 C ATOM 920 SG CYS A 57 -1.195 0.707 7.748 1.00 3.30 S ATOM 0 H CYS A 57 -1.094 3.539 10.200 1.00 55.00 H new ATOM 0 HA CYS A 57 -2.727 1.220 9.921 1.00 13.42 H new ATOM 0 HB2 CYS A 57 -0.022 2.134 9.272 1.00 43.11 H new ATOM 0 HB3 CYS A 57 -0.019 0.469 9.820 1.00 43.11 H new ATOM 0 HG CYS A 57 -0.923 -0.555 7.594 1.00 3.30 H new ATOM 926 N GLN A 58 -0.843 1.477 12.584 1.00 64.44 N ATOM 927 CA GLN A 58 -0.560 0.887 13.887 1.00 73.42 C ATOM 928 C GLN A 58 -1.850 0.575 14.637 1.00 45.42 C ATOM 929 O GLN A 58 -1.982 -0.481 15.256 1.00 74.31 O ATOM 930 CB GLN A 58 0.313 1.829 14.719 1.00 23.34 C ATOM 931 CG GLN A 58 0.982 1.152 15.904 1.00 2.41 C ATOM 932 CD GLN A 58 0.978 2.018 17.148 1.00 75.21 C ATOM 933 OE1 GLN A 58 1.590 3.086 17.178 1.00 21.13 O ATOM 934 NE2 GLN A 58 0.286 1.560 18.186 1.00 14.35 N ATOM 0 H GLN A 58 -0.442 2.404 12.444 1.00 64.44 H new ATOM 0 HA GLN A 58 -0.022 -0.047 13.724 1.00 73.42 H new ATOM 0 HB2 GLN A 58 1.081 2.261 14.077 1.00 23.34 H new ATOM 0 HB3 GLN A 58 -0.300 2.654 15.081 1.00 23.34 H new ATOM 0 HG2 GLN A 58 0.471 0.213 16.118 1.00 2.41 H new ATOM 0 HG3 GLN A 58 2.010 0.903 15.642 1.00 2.41 H new ATOM 0 HE21 GLN A 58 -0.207 0.669 18.118 1.00 14.35 H new ATOM 0 HE22 GLN A 58 0.247 2.099 19.051 1.00 14.35 H new ATOM 943 N LYS A 59 -2.802 1.501 14.577 1.00 31.03 N ATOM 944 CA LYS A 59 -4.083 1.326 15.249 1.00 61.22 C ATOM 945 C LYS A 59 -4.924 0.264 14.549 1.00 64.00 C ATOM 946 O LYS A 59 -5.867 -0.277 15.129 1.00 11.13 O ATOM 947 CB LYS A 59 -4.847 2.652 15.289 1.00 13.01 C ATOM 948 CG LYS A 59 -5.239 3.086 16.691 1.00 52.21 C ATOM 949 CD LYS A 59 -6.569 2.481 17.110 1.00 51.31 C ATOM 950 CE LYS A 59 -7.406 3.472 17.905 1.00 54.23 C ATOM 951 NZ LYS A 59 -6.841 3.711 19.262 1.00 54.34 N ATOM 0 H LYS A 59 -2.709 2.381 14.069 1.00 31.03 H new ATOM 0 HA LYS A 59 -3.887 0.995 16.269 1.00 61.22 H new ATOM 0 HB2 LYS A 59 -4.232 3.430 14.835 1.00 13.01 H new ATOM 0 HB3 LYS A 59 -5.747 2.562 14.681 1.00 13.01 H new ATOM 0 HG2 LYS A 59 -4.464 2.786 17.396 1.00 52.21 H new ATOM 0 HG3 LYS A 59 -5.304 4.173 16.732 1.00 52.21 H new ATOM 0 HD2 LYS A 59 -7.121 2.164 16.225 1.00 51.31 H new ATOM 0 HD3 LYS A 59 -6.391 1.589 17.711 1.00 51.31 H new ATOM 0 HE2 LYS A 59 -7.463 4.416 17.364 1.00 54.23 H new ATOM 0 HE3 LYS A 59 -8.425 3.096 17.997 1.00 54.23 H new ATOM 0 HZ1 LYS A 59 -7.439 4.392 19.772 1.00 54.34 H new ATOM 0 HZ2 LYS A 59 -6.810 2.814 19.788 1.00 54.34 H new ATOM 0 HZ3 LYS A 59 -5.878 4.094 19.175 1.00 54.34 H new ATOM 965 N ILE A 60 -4.578 -0.032 13.301 1.00 14.42 N ATOM 966 CA ILE A 60 -5.300 -1.030 12.523 1.00 74.53 C ATOM 967 C ILE A 60 -4.776 -2.434 12.811 1.00 65.31 C ATOM 968 O ILE A 60 -5.552 -3.381 12.951 1.00 60.23 O ATOM 969 CB ILE A 60 -5.191 -0.754 11.012 1.00 43.01 C ATOM 970 CG1 ILE A 60 -5.772 0.622 10.681 1.00 2.23 C ATOM 971 CG2 ILE A 60 -5.906 -1.841 10.223 1.00 1.24 C ATOM 972 CD1 ILE A 60 -5.250 1.202 9.385 1.00 33.54 C ATOM 0 H ILE A 60 -3.801 0.406 12.807 1.00 14.42 H new ATOM 0 HA ILE A 60 -6.347 -0.966 12.820 1.00 74.53 H new ATOM 0 HB ILE A 60 -4.138 -0.761 10.730 1.00 43.01 H new ATOM 0 HG12 ILE A 60 -6.858 0.545 10.624 1.00 2.23 H new ATOM 0 HG13 ILE A 60 -5.544 1.309 11.495 1.00 2.23 H new ATOM 0 HG21 ILE A 60 -5.820 -1.632 9.157 1.00 1.24 H new ATOM 0 HG22 ILE A 60 -5.452 -2.808 10.441 1.00 1.24 H new ATOM 0 HG23 ILE A 60 -6.959 -1.863 10.505 1.00 1.24 H new ATOM 0 HD11 ILE A 60 -5.704 2.178 9.214 1.00 33.54 H new ATOM 0 HD12 ILE A 60 -4.167 1.311 9.445 1.00 33.54 H new ATOM 0 HD13 ILE A 60 -5.502 0.535 8.560 1.00 33.54 H new ATOM 984 N LEU A 61 -3.457 -2.561 12.900 1.00 13.21 N ATOM 985 CA LEU A 61 -2.829 -3.848 13.174 1.00 31.52 C ATOM 986 C LEU A 61 -3.216 -4.361 14.557 1.00 50.21 C ATOM 987 O LEU A 61 -3.389 -5.563 14.761 1.00 4.23 O ATOM 988 CB LEU A 61 -1.308 -3.729 13.068 1.00 53.22 C ATOM 989 CG LEU A 61 -0.747 -3.507 11.663 1.00 74.43 C ATOM 990 CD1 LEU A 61 0.700 -3.044 11.732 1.00 64.02 C ATOM 991 CD2 LEU A 61 -0.863 -4.780 10.837 1.00 10.21 C ATOM 0 H LEU A 61 -2.801 -1.788 12.786 1.00 13.21 H new ATOM 0 HA LEU A 61 -3.184 -4.562 12.431 1.00 31.52 H new ATOM 0 HB2 LEU A 61 -0.983 -2.903 13.701 1.00 53.22 H new ATOM 0 HB3 LEU A 61 -0.864 -4.637 13.475 1.00 53.22 H new ATOM 0 HG LEU A 61 -1.333 -2.727 11.177 1.00 74.43 H new ATOM 0 HD11 LEU A 61 1.082 -2.891 10.722 1.00 64.02 H new ATOM 0 HD12 LEU A 61 0.756 -2.107 12.287 1.00 64.02 H new ATOM 0 HD13 LEU A 61 1.301 -3.801 12.236 1.00 64.02 H new ATOM 0 HD21 LEU A 61 -0.459 -4.605 9.840 1.00 10.21 H new ATOM 0 HD22 LEU A 61 -0.302 -5.580 11.320 1.00 10.21 H new ATOM 0 HD23 LEU A 61 -1.911 -5.069 10.758 1.00 10.21 H new ATOM 1003 N THR A 62 -3.351 -3.440 15.507 1.00 51.21 N ATOM 1004 CA THR A 62 -3.719 -3.797 16.870 1.00 72.15 C ATOM 1005 C THR A 62 -5.139 -4.349 16.931 1.00 54.12 C ATOM 1006 O THR A 62 -5.441 -5.225 17.740 1.00 63.42 O ATOM 1007 CB THR A 62 -3.609 -2.587 17.818 1.00 4.31 C ATOM 1008 OG1 THR A 62 -3.310 -3.029 19.146 1.00 64.34 O ATOM 1009 CG2 THR A 62 -4.903 -1.786 17.823 1.00 54.13 C ATOM 0 H THR A 62 -3.211 -2.441 15.356 1.00 51.21 H new ATOM 0 HA THR A 62 -3.019 -4.567 17.194 1.00 72.15 H new ATOM 0 HB THR A 62 -2.803 -1.945 17.461 1.00 4.31 H new ATOM 0 HG1 THR A 62 -3.240 -2.253 19.741 1.00 64.34 H new ATOM 0 HG21 THR A 62 -4.803 -0.937 18.499 1.00 54.13 H new ATOM 0 HG22 THR A 62 -5.112 -1.425 16.816 1.00 54.13 H new ATOM 0 HG23 THR A 62 -5.723 -2.421 18.158 1.00 54.13 H new ATOM 1017 N VAL A 63 -6.007 -3.829 16.069 1.00 64.11 N ATOM 1018 CA VAL A 63 -7.396 -4.272 16.023 1.00 43.23 C ATOM 1019 C VAL A 63 -7.536 -5.560 15.221 1.00 1.33 C ATOM 1020 O VAL A 63 -8.414 -6.380 15.491 1.00 31.20 O ATOM 1021 CB VAL A 63 -8.308 -3.194 15.408 1.00 0.25 C ATOM 1022 CG1 VAL A 63 -9.741 -3.696 15.314 1.00 21.41 C ATOM 1023 CG2 VAL A 63 -8.237 -1.909 16.218 1.00 50.04 C ATOM 0 H VAL A 63 -5.773 -3.101 15.394 1.00 64.11 H new ATOM 0 HA VAL A 63 -7.705 -4.454 17.052 1.00 43.23 H new ATOM 0 HB VAL A 63 -7.956 -2.980 14.399 1.00 0.25 H new ATOM 0 HG11 VAL A 63 -10.370 -2.921 14.877 1.00 21.41 H new ATOM 0 HG12 VAL A 63 -9.774 -4.587 14.686 1.00 21.41 H new ATOM 0 HG13 VAL A 63 -10.107 -3.941 16.311 1.00 21.41 H new ATOM 0 HG21 VAL A 63 -8.888 -1.159 15.768 1.00 50.04 H new ATOM 0 HG22 VAL A 63 -8.561 -2.105 17.240 1.00 50.04 H new ATOM 0 HG23 VAL A 63 -7.211 -1.541 16.227 1.00 50.04 H new ATOM 1033 N LEU A 64 -6.665 -5.733 14.233 1.00 25.21 N ATOM 1034 CA LEU A 64 -6.691 -6.923 13.390 1.00 1.45 C ATOM 1035 C LEU A 64 -5.960 -8.081 14.060 1.00 34.14 C ATOM 1036 O LEU A 64 -6.244 -9.248 13.790 1.00 30.12 O ATOM 1037 CB LEU A 64 -6.057 -6.623 12.030 1.00 1.51 C ATOM 1038 CG LEU A 64 -6.822 -5.650 11.133 1.00 1.04 C ATOM 1039 CD1 LEU A 64 -6.095 -5.459 9.810 1.00 53.33 C ATOM 1040 CD2 LEU A 64 -8.241 -6.147 10.895 1.00 12.32 C ATOM 0 H LEU A 64 -5.932 -5.064 13.996 1.00 25.21 H new ATOM 0 HA LEU A 64 -7.732 -7.211 13.243 1.00 1.45 H new ATOM 0 HB2 LEU A 64 -5.058 -6.222 12.198 1.00 1.51 H new ATOM 0 HB3 LEU A 64 -5.937 -7.563 11.492 1.00 1.51 H new ATOM 0 HG LEU A 64 -6.875 -4.686 11.638 1.00 1.04 H new ATOM 0 HD11 LEU A 64 -6.654 -4.763 9.185 1.00 53.33 H new ATOM 0 HD12 LEU A 64 -5.099 -5.058 9.997 1.00 53.33 H new ATOM 0 HD13 LEU A 64 -6.011 -6.418 9.299 1.00 53.33 H new ATOM 0 HD21 LEU A 64 -8.771 -5.442 10.254 1.00 12.32 H new ATOM 0 HD22 LEU A 64 -8.208 -7.123 10.411 1.00 12.32 H new ATOM 0 HD23 LEU A 64 -8.761 -6.232 11.849 1.00 12.32 H new ATOM 1052 N ASP A 65 -5.018 -7.751 14.936 1.00 52.43 N ATOM 1053 CA ASP A 65 -4.248 -8.763 15.649 1.00 73.13 C ATOM 1054 C ASP A 65 -5.170 -9.752 16.355 1.00 40.43 C ATOM 1055 O ASP A 65 -5.161 -10.952 16.081 1.00 61.14 O ATOM 1056 CB ASP A 65 -3.314 -8.104 16.665 1.00 12.23 C ATOM 1057 CG ASP A 65 -3.091 -8.966 17.892 1.00 13.02 C ATOM 1058 OD1 ASP A 65 -2.776 -10.163 17.727 1.00 20.01 O ATOM 1059 OD2 ASP A 65 -3.231 -8.443 19.017 1.00 61.01 O ATOM 0 H ASP A 65 -4.769 -6.790 15.170 1.00 52.43 H new ATOM 0 HA ASP A 65 -3.651 -9.309 14.919 1.00 73.13 H new ATOM 0 HB2 ASP A 65 -2.355 -7.897 16.191 1.00 12.23 H new ATOM 0 HB3 ASP A 65 -3.732 -7.145 16.970 1.00 12.23 H new ATOM 1064 N PRO A 66 -5.986 -9.237 17.287 1.00 24.22 N ATOM 1065 CA PRO A 66 -6.931 -10.058 18.052 1.00 52.12 C ATOM 1066 C PRO A 66 -8.079 -10.575 17.192 1.00 71.52 C ATOM 1067 O PRO A 66 -8.816 -11.472 17.600 1.00 5.54 O ATOM 1068 CB PRO A 66 -7.455 -9.093 19.119 1.00 20.01 C ATOM 1069 CG PRO A 66 -7.285 -7.739 18.522 1.00 2.12 C ATOM 1070 CD PRO A 66 -6.051 -7.816 17.665 1.00 11.21 C ATOM 0 HA PRO A 66 -6.458 -10.951 18.460 1.00 52.12 H new ATOM 0 HB2 PRO A 66 -8.500 -9.293 19.355 1.00 20.01 H new ATOM 0 HB3 PRO A 66 -6.894 -9.189 20.049 1.00 20.01 H new ATOM 0 HG2 PRO A 66 -8.156 -7.462 17.928 1.00 2.12 H new ATOM 0 HG3 PRO A 66 -7.175 -6.981 19.298 1.00 2.12 H new ATOM 0 HD2 PRO A 66 -6.129 -7.171 16.790 1.00 11.21 H new ATOM 0 HD3 PRO A 66 -5.161 -7.505 18.213 1.00 11.21 H new ATOM 1078 N MET A 67 -8.223 -10.005 16.000 1.00 14.10 N ATOM 1079 CA MET A 67 -9.280 -10.410 15.082 1.00 60.11 C ATOM 1080 C MET A 67 -8.930 -11.727 14.396 1.00 73.02 C ATOM 1081 O MET A 67 -9.780 -12.356 13.766 1.00 71.44 O ATOM 1082 CB MET A 67 -9.519 -9.323 14.032 1.00 60.14 C ATOM 1083 CG MET A 67 -10.946 -8.800 14.012 1.00 43.10 C ATOM 1084 SD MET A 67 -11.379 -7.907 15.517 1.00 13.43 S ATOM 1085 CE MET A 67 -13.044 -8.503 15.798 1.00 50.42 C ATOM 0 H MET A 67 -7.621 -9.261 15.648 1.00 14.10 H new ATOM 0 HA MET A 67 -10.193 -10.553 15.660 1.00 60.11 H new ATOM 0 HB2 MET A 67 -8.839 -8.492 14.220 1.00 60.14 H new ATOM 0 HB3 MET A 67 -9.273 -9.720 13.047 1.00 60.14 H new ATOM 0 HG2 MET A 67 -11.075 -8.141 13.153 1.00 43.10 H new ATOM 0 HG3 MET A 67 -11.633 -9.636 13.879 1.00 43.10 H new ATOM 0 HE1 MET A 67 -13.449 -8.040 16.698 1.00 50.42 H new ATOM 0 HE2 MET A 67 -13.671 -8.247 14.944 1.00 50.42 H new ATOM 0 HE3 MET A 67 -13.027 -9.586 15.924 1.00 50.42 H new ATOM 1095 N VAL A 68 -7.672 -12.139 14.523 1.00 12.22 N ATOM 1096 CA VAL A 68 -7.209 -13.381 13.917 1.00 24.45 C ATOM 1097 C VAL A 68 -7.919 -14.586 14.523 1.00 74.51 C ATOM 1098 O VAL A 68 -8.575 -15.364 13.831 1.00 71.34 O ATOM 1099 CB VAL A 68 -5.688 -13.555 14.085 1.00 30.43 C ATOM 1100 CG1 VAL A 68 -5.319 -15.031 14.107 1.00 64.05 C ATOM 1101 CG2 VAL A 68 -4.943 -12.828 12.977 1.00 13.51 C ATOM 0 H VAL A 68 -6.956 -11.630 15.041 1.00 12.22 H new ATOM 0 HA VAL A 68 -7.444 -13.322 12.854 1.00 24.45 H new ATOM 0 HB VAL A 68 -5.393 -13.116 15.038 1.00 30.43 H new ATOM 0 HG11 VAL A 68 -4.241 -15.135 14.226 1.00 64.05 H new ATOM 0 HG12 VAL A 68 -5.825 -15.520 14.939 1.00 64.05 H new ATOM 0 HG13 VAL A 68 -5.627 -15.497 13.171 1.00 64.05 H new ATOM 0 HG21 VAL A 68 -3.870 -12.962 13.112 1.00 13.51 H new ATOM 0 HG22 VAL A 68 -5.241 -13.235 12.011 1.00 13.51 H new ATOM 0 HG23 VAL A 68 -5.184 -11.765 13.013 1.00 13.51 H new ATOM 1111 N PRO A 69 -7.785 -14.746 15.848 1.00 51.13 N ATOM 1112 CA PRO A 69 -8.407 -15.855 16.578 1.00 54.40 C ATOM 1113 C PRO A 69 -9.924 -15.723 16.649 1.00 23.55 C ATOM 1114 O PRO A 69 -10.612 -16.609 17.159 1.00 21.34 O ATOM 1115 CB PRO A 69 -7.795 -15.745 17.977 1.00 62.55 C ATOM 1116 CG PRO A 69 -7.413 -14.312 18.113 1.00 3.43 C ATOM 1117 CD PRO A 69 -7.016 -13.858 16.735 1.00 43.44 C ATOM 0 HA PRO A 69 -8.227 -16.814 16.093 1.00 54.40 H new ATOM 0 HB2 PRO A 69 -8.510 -16.039 18.746 1.00 62.55 H new ATOM 0 HB3 PRO A 69 -6.928 -16.397 18.082 1.00 62.55 H new ATOM 0 HG2 PRO A 69 -8.245 -13.720 18.494 1.00 3.43 H new ATOM 0 HG3 PRO A 69 -6.589 -14.193 18.816 1.00 3.43 H new ATOM 0 HD2 PRO A 69 -7.266 -12.810 16.570 1.00 43.44 H new ATOM 0 HD3 PRO A 69 -5.943 -13.959 16.572 1.00 43.44 H new ATOM 1125 N THR A 70 -10.442 -14.613 16.133 1.00 40.43 N ATOM 1126 CA THR A 70 -11.879 -14.365 16.138 1.00 33.53 C ATOM 1127 C THR A 70 -12.316 -13.645 14.868 1.00 45.23 C ATOM 1128 O THR A 70 -12.971 -12.605 14.928 1.00 25.43 O ATOM 1129 CB THR A 70 -12.300 -13.529 17.361 1.00 33.13 C ATOM 1130 OG1 THR A 70 -13.713 -13.299 17.333 1.00 55.23 O ATOM 1131 CG2 THR A 70 -11.564 -12.198 17.385 1.00 43.14 C ATOM 0 H THR A 70 -9.888 -13.871 15.706 1.00 40.43 H new ATOM 0 HA THR A 70 -12.368 -15.338 16.187 1.00 33.53 H new ATOM 0 HB THR A 70 -12.041 -14.085 18.262 1.00 33.13 H new ATOM 0 HG1 THR A 70 -13.949 -12.814 16.515 1.00 55.23 H new ATOM 0 HG21 THR A 70 -11.877 -11.625 18.257 1.00 43.14 H new ATOM 0 HG22 THR A 70 -10.490 -12.377 17.435 1.00 43.14 H new ATOM 0 HG23 THR A 70 -11.797 -11.637 16.480 1.00 43.14 H new ATOM 1139 N GLY A 71 -11.951 -14.205 13.719 1.00 51.13 N ATOM 1140 CA GLY A 71 -12.316 -13.602 12.450 1.00 42.52 C ATOM 1141 C GLY A 71 -12.610 -14.634 11.381 1.00 62.21 C ATOM 1142 O GLY A 71 -12.751 -15.821 11.676 1.00 72.41 O ATOM 0 H GLY A 71 -11.409 -15.066 13.644 1.00 51.13 H new ATOM 0 HA2 GLY A 71 -13.192 -12.969 12.591 1.00 42.52 H new ATOM 0 HA3 GLY A 71 -11.506 -12.955 12.113 1.00 42.52 H new ATOM 1146 N SER A 72 -12.705 -14.182 10.134 1.00 74.23 N ATOM 1147 CA SER A 72 -12.990 -15.075 9.018 1.00 34.14 C ATOM 1148 C SER A 72 -11.729 -15.346 8.203 1.00 73.34 C ATOM 1149 O SER A 72 -10.624 -14.993 8.614 1.00 44.40 O ATOM 1150 CB SER A 72 -14.071 -14.472 8.119 1.00 22.14 C ATOM 1151 OG SER A 72 -13.531 -13.477 7.267 1.00 54.35 O ATOM 0 H SER A 72 -12.589 -13.203 9.872 1.00 74.23 H new ATOM 0 HA SER A 72 -13.350 -16.020 9.424 1.00 34.14 H new ATOM 0 HB2 SER A 72 -14.530 -15.258 7.519 1.00 22.14 H new ATOM 0 HB3 SER A 72 -14.860 -14.039 8.734 1.00 22.14 H new ATOM 0 HG SER A 72 -14.242 -13.109 6.702 1.00 54.35 H new ATOM 1157 N GLU A 73 -11.903 -15.977 7.046 1.00 23.34 N ATOM 1158 CA GLU A 73 -10.778 -16.298 6.174 1.00 3.35 C ATOM 1159 C GLU A 73 -10.215 -15.035 5.527 1.00 71.22 C ATOM 1160 O GLU A 73 -9.002 -14.832 5.491 1.00 22.20 O ATOM 1161 CB GLU A 73 -11.210 -17.289 5.092 1.00 4.22 C ATOM 1162 CG GLU A 73 -10.342 -18.534 5.026 1.00 14.22 C ATOM 1163 CD GLU A 73 -10.591 -19.353 3.774 1.00 10.20 C ATOM 1164 OE1 GLU A 73 -9.945 -19.070 2.742 1.00 64.51 O ATOM 1165 OE2 GLU A 73 -11.430 -20.276 3.825 1.00 42.22 O ATOM 0 H GLU A 73 -12.811 -16.276 6.691 1.00 23.34 H new ATOM 0 HA GLU A 73 -9.997 -16.754 6.783 1.00 3.35 H new ATOM 0 HB2 GLU A 73 -12.243 -17.586 5.274 1.00 4.22 H new ATOM 0 HB3 GLU A 73 -11.188 -16.789 4.124 1.00 4.22 H new ATOM 0 HG2 GLU A 73 -9.292 -18.243 5.062 1.00 14.22 H new ATOM 0 HG3 GLU A 73 -10.532 -19.152 5.904 1.00 14.22 H new ATOM 1172 N ASN A 74 -11.106 -14.190 5.019 1.00 52.02 N ATOM 1173 CA ASN A 74 -10.698 -12.947 4.373 1.00 21.51 C ATOM 1174 C ASN A 74 -9.984 -12.029 5.360 1.00 20.55 C ATOM 1175 O ASN A 74 -8.945 -11.448 5.044 1.00 73.01 O ATOM 1176 CB ASN A 74 -11.915 -12.232 3.783 1.00 2.25 C ATOM 1177 CG ASN A 74 -11.863 -12.156 2.268 1.00 51.10 C ATOM 1178 OD1 ASN A 74 -10.786 -12.172 1.672 1.00 62.22 O ATOM 1179 ND2 ASN A 74 -13.030 -12.072 1.640 1.00 71.21 N ATOM 0 H ASN A 74 -12.114 -14.343 5.042 1.00 52.02 H new ATOM 0 HA ASN A 74 -10.005 -13.195 3.569 1.00 21.51 H new ATOM 0 HB2 ASN A 74 -12.822 -12.754 4.087 1.00 2.25 H new ATOM 0 HB3 ASN A 74 -11.975 -11.224 4.193 1.00 2.25 H new ATOM 0 HD21 ASN A 74 -13.058 -12.017 0.622 1.00 71.21 H new ATOM 0 HD22 ASN A 74 -13.898 -12.062 2.176 1.00 71.21 H new ATOM 1186 N LEU A 75 -10.547 -11.904 6.557 1.00 5.13 N ATOM 1187 CA LEU A 75 -9.966 -11.057 7.592 1.00 14.04 C ATOM 1188 C LEU A 75 -8.491 -11.390 7.802 1.00 4.04 C ATOM 1189 O LEU A 75 -7.668 -10.501 8.016 1.00 13.35 O ATOM 1190 CB LEU A 75 -10.730 -11.225 8.906 1.00 3.34 C ATOM 1191 CG LEU A 75 -10.091 -10.587 10.140 1.00 62.15 C ATOM 1192 CD1 LEU A 75 -11.162 -10.116 11.112 1.00 24.33 C ATOM 1193 CD2 LEU A 75 -9.147 -11.568 10.819 1.00 0.21 C ATOM 0 H LEU A 75 -11.406 -12.379 6.835 1.00 5.13 H new ATOM 0 HA LEU A 75 -10.044 -10.020 7.265 1.00 14.04 H new ATOM 0 HB2 LEU A 75 -11.728 -10.804 8.779 1.00 3.34 H new ATOM 0 HB3 LEU A 75 -10.855 -12.291 9.096 1.00 3.34 H new ATOM 0 HG LEU A 75 -9.513 -9.720 9.819 1.00 62.15 H new ATOM 0 HD11 LEU A 75 -10.689 -9.665 11.984 1.00 24.33 H new ATOM 0 HD12 LEU A 75 -11.799 -9.379 10.623 1.00 24.33 H new ATOM 0 HD13 LEU A 75 -11.767 -10.966 11.427 1.00 24.33 H new ATOM 0 HD21 LEU A 75 -8.701 -11.097 11.695 1.00 0.21 H new ATOM 0 HD22 LEU A 75 -9.702 -12.454 11.126 1.00 0.21 H new ATOM 0 HD23 LEU A 75 -8.360 -11.857 10.123 1.00 0.21 H new ATOM 1205 N LYS A 76 -8.166 -12.676 7.737 1.00 0.21 N ATOM 1206 CA LYS A 76 -6.791 -13.128 7.917 1.00 35.10 C ATOM 1207 C LYS A 76 -5.870 -12.489 6.882 1.00 33.44 C ATOM 1208 O LYS A 76 -4.766 -12.053 7.206 1.00 54.12 O ATOM 1209 CB LYS A 76 -6.716 -14.653 7.811 1.00 33.03 C ATOM 1210 CG LYS A 76 -5.982 -15.307 8.969 1.00 13.23 C ATOM 1211 CD LYS A 76 -6.567 -16.668 9.303 1.00 13.20 C ATOM 1212 CE LYS A 76 -7.838 -16.541 10.128 1.00 72.01 C ATOM 1213 NZ LYS A 76 -8.559 -17.839 10.240 1.00 61.52 N ATOM 0 H LYS A 76 -8.836 -13.425 7.561 1.00 0.21 H new ATOM 0 HA LYS A 76 -6.460 -12.823 8.910 1.00 35.10 H new ATOM 0 HB2 LYS A 76 -7.728 -15.056 7.759 1.00 33.03 H new ATOM 0 HB3 LYS A 76 -6.218 -14.920 6.879 1.00 33.03 H new ATOM 0 HG2 LYS A 76 -4.927 -15.415 8.717 1.00 13.23 H new ATOM 0 HG3 LYS A 76 -6.036 -14.662 9.846 1.00 13.23 H new ATOM 0 HD2 LYS A 76 -6.783 -17.209 8.381 1.00 13.20 H new ATOM 0 HD3 LYS A 76 -5.832 -17.256 9.853 1.00 13.20 H new ATOM 0 HE2 LYS A 76 -7.589 -16.177 11.125 1.00 72.01 H new ATOM 0 HE3 LYS A 76 -8.494 -15.799 9.672 1.00 72.01 H new ATOM 0 HZ1 LYS A 76 -9.419 -17.710 10.810 1.00 61.52 H new ATOM 0 HZ2 LYS A 76 -8.819 -18.175 9.291 1.00 61.52 H new ATOM 0 HZ3 LYS A 76 -7.942 -18.540 10.698 1.00 61.52 H new ATOM 1227 N SER A 77 -6.331 -12.439 5.637 1.00 1.04 N ATOM 1228 CA SER A 77 -5.546 -11.856 4.554 1.00 44.34 C ATOM 1229 C SER A 77 -5.245 -10.387 4.832 1.00 53.42 C ATOM 1230 O SER A 77 -4.131 -9.914 4.599 1.00 73.44 O ATOM 1231 CB SER A 77 -6.292 -11.993 3.225 1.00 71.01 C ATOM 1232 OG SER A 77 -6.003 -13.234 2.604 1.00 44.43 O ATOM 0 H SER A 77 -7.244 -12.795 5.352 1.00 1.04 H new ATOM 0 HA SER A 77 -4.602 -12.397 4.490 1.00 44.34 H new ATOM 0 HB2 SER A 77 -7.365 -11.910 3.396 1.00 71.01 H new ATOM 0 HB3 SER A 77 -6.011 -11.176 2.561 1.00 71.01 H new ATOM 0 HG SER A 77 -6.493 -13.298 1.758 1.00 44.43 H new ATOM 1238 N LEU A 78 -6.245 -9.667 5.330 1.00 74.52 N ATOM 1239 CA LEU A 78 -6.088 -8.251 5.641 1.00 24.04 C ATOM 1240 C LEU A 78 -4.976 -8.038 6.663 1.00 13.42 C ATOM 1241 O LEU A 78 -4.111 -7.178 6.484 1.00 64.14 O ATOM 1242 CB LEU A 78 -7.402 -7.678 6.174 1.00 5.50 C ATOM 1243 CG LEU A 78 -7.352 -6.230 6.665 1.00 52.04 C ATOM 1244 CD1 LEU A 78 -7.500 -5.266 5.499 1.00 42.52 C ATOM 1245 CD2 LEU A 78 -8.434 -5.983 7.706 1.00 25.04 C ATOM 0 H LEU A 78 -7.173 -10.041 5.527 1.00 74.52 H new ATOM 0 HA LEU A 78 -5.817 -7.730 4.723 1.00 24.04 H new ATOM 0 HB2 LEU A 78 -8.152 -7.748 5.386 1.00 5.50 H new ATOM 0 HB3 LEU A 78 -7.743 -8.308 6.996 1.00 5.50 H new ATOM 0 HG LEU A 78 -6.382 -6.057 7.131 1.00 52.04 H new ATOM 0 HD11 LEU A 78 -7.462 -4.241 5.867 1.00 42.52 H new ATOM 0 HD12 LEU A 78 -6.689 -5.427 4.789 1.00 42.52 H new ATOM 0 HD13 LEU A 78 -8.455 -5.438 5.003 1.00 42.52 H new ATOM 0 HD21 LEU A 78 -8.384 -4.948 8.044 1.00 25.04 H new ATOM 0 HD22 LEU A 78 -9.413 -6.174 7.266 1.00 25.04 H new ATOM 0 HD23 LEU A 78 -8.282 -6.650 8.555 1.00 25.04 H new ATOM 1257 N PHE A 79 -5.001 -8.826 7.731 1.00 52.32 N ATOM 1258 CA PHE A 79 -3.993 -8.723 8.781 1.00 64.42 C ATOM 1259 C PHE A 79 -2.588 -8.823 8.197 1.00 20.34 C ATOM 1260 O PHE A 79 -1.647 -8.219 8.710 1.00 73.44 O ATOM 1261 CB PHE A 79 -4.202 -9.821 9.826 1.00 24.52 C ATOM 1262 CG PHE A 79 -3.276 -9.713 11.003 1.00 13.12 C ATOM 1263 CD1 PHE A 79 -3.015 -8.483 11.585 1.00 54.23 C ATOM 1264 CD2 PHE A 79 -2.665 -10.841 11.528 1.00 23.12 C ATOM 1265 CE1 PHE A 79 -2.162 -8.379 12.669 1.00 25.40 C ATOM 1266 CE2 PHE A 79 -1.813 -10.744 12.611 1.00 21.02 C ATOM 1267 CZ PHE A 79 -1.560 -9.512 13.181 1.00 52.32 C ATOM 0 H PHE A 79 -5.708 -9.543 7.894 1.00 52.32 H new ATOM 0 HA PHE A 79 -4.100 -7.750 9.259 1.00 64.42 H new ATOM 0 HB2 PHE A 79 -5.232 -9.783 10.180 1.00 24.52 H new ATOM 0 HB3 PHE A 79 -4.063 -10.793 9.353 1.00 24.52 H new ATOM 0 HD1 PHE A 79 -3.483 -7.595 11.187 1.00 54.23 H new ATOM 0 HD2 PHE A 79 -2.857 -11.807 11.085 1.00 23.12 H new ATOM 0 HE1 PHE A 79 -1.967 -7.414 13.114 1.00 25.40 H new ATOM 0 HE2 PHE A 79 -1.345 -11.631 13.012 1.00 21.02 H new ATOM 0 HZ PHE A 79 -0.892 -9.434 14.026 1.00 52.32 H new ATOM 1277 N ASN A 80 -2.453 -9.590 7.119 1.00 42.15 N ATOM 1278 CA ASN A 80 -1.162 -9.770 6.465 1.00 61.13 C ATOM 1279 C ASN A 80 -0.813 -8.557 5.608 1.00 3.23 C ATOM 1280 O ASN A 80 0.344 -8.140 5.543 1.00 24.34 O ATOM 1281 CB ASN A 80 -1.177 -11.032 5.601 1.00 63.44 C ATOM 1282 CG ASN A 80 -0.986 -12.295 6.419 1.00 52.44 C ATOM 1283 OD1 ASN A 80 -1.921 -12.784 7.055 1.00 34.01 O ATOM 1284 ND2 ASN A 80 0.230 -12.829 6.408 1.00 42.22 N ATOM 0 H ASN A 80 -3.222 -10.097 6.680 1.00 42.15 H new ATOM 0 HA ASN A 80 -0.402 -9.877 7.239 1.00 61.13 H new ATOM 0 HB2 ASN A 80 -2.124 -11.090 5.064 1.00 63.44 H new ATOM 0 HB3 ASN A 80 -0.389 -10.965 4.851 1.00 63.44 H new ATOM 0 HD21 ASN A 80 0.419 -13.678 6.941 1.00 42.22 H new ATOM 0 HD22 ASN A 80 0.975 -12.390 5.867 1.00 42.22 H new ATOM 1291 N THR A 81 -1.822 -7.994 4.950 1.00 44.45 N ATOM 1292 CA THR A 81 -1.624 -6.830 4.097 1.00 15.23 C ATOM 1293 C THR A 81 -1.269 -5.597 4.921 1.00 70.45 C ATOM 1294 O THR A 81 -0.329 -4.871 4.598 1.00 34.21 O ATOM 1295 CB THR A 81 -2.879 -6.527 3.257 1.00 44.14 C ATOM 1296 OG1 THR A 81 -3.237 -7.675 2.481 1.00 64.40 O ATOM 1297 CG2 THR A 81 -2.642 -5.340 2.336 1.00 75.42 C ATOM 0 H THR A 81 -2.785 -8.326 4.992 1.00 44.45 H new ATOM 0 HA THR A 81 -0.797 -7.068 3.428 1.00 15.23 H new ATOM 0 HB THR A 81 -3.693 -6.280 3.938 1.00 44.14 H new ATOM 0 HG1 THR A 81 -3.504 -8.404 3.079 1.00 64.40 H new ATOM 0 HG21 THR A 81 -3.543 -5.146 1.753 1.00 75.42 H new ATOM 0 HG22 THR A 81 -2.399 -4.460 2.932 1.00 75.42 H new ATOM 0 HG23 THR A 81 -1.815 -5.562 1.662 1.00 75.42 H new ATOM 1305 N VAL A 82 -2.027 -5.367 5.988 1.00 54.31 N ATOM 1306 CA VAL A 82 -1.791 -4.222 6.861 1.00 14.12 C ATOM 1307 C VAL A 82 -0.371 -4.236 7.415 1.00 33.33 C ATOM 1308 O VAL A 82 0.188 -3.190 7.746 1.00 22.42 O ATOM 1309 CB VAL A 82 -2.787 -4.196 8.035 1.00 63.14 C ATOM 1310 CG1 VAL A 82 -2.591 -2.944 8.875 1.00 22.12 C ATOM 1311 CG2 VAL A 82 -4.217 -4.286 7.523 1.00 22.34 C ATOM 0 H VAL A 82 -2.810 -5.958 6.269 1.00 54.31 H new ATOM 0 HA VAL A 82 -1.933 -3.328 6.254 1.00 14.12 H new ATOM 0 HB VAL A 82 -2.597 -5.062 8.668 1.00 63.14 H new ATOM 0 HG11 VAL A 82 -3.304 -2.944 9.700 1.00 22.12 H new ATOM 0 HG12 VAL A 82 -1.576 -2.928 9.273 1.00 22.12 H new ATOM 0 HG13 VAL A 82 -2.752 -2.062 8.256 1.00 22.12 H new ATOM 0 HG21 VAL A 82 -4.907 -4.266 8.366 1.00 22.34 H new ATOM 0 HG22 VAL A 82 -4.422 -3.441 6.866 1.00 22.34 H new ATOM 0 HG23 VAL A 82 -4.347 -5.216 6.969 1.00 22.34 H new ATOM 1321 N CYS A 83 0.208 -5.428 7.512 1.00 30.40 N ATOM 1322 CA CYS A 83 1.565 -5.579 8.026 1.00 20.42 C ATOM 1323 C CYS A 83 2.583 -4.990 7.055 1.00 21.24 C ATOM 1324 O CYS A 83 3.598 -4.430 7.467 1.00 2.20 O ATOM 1325 CB CYS A 83 1.876 -7.056 8.277 1.00 2.44 C ATOM 1326 SG CYS A 83 1.429 -7.634 9.930 1.00 2.40 S ATOM 0 H CYS A 83 -0.241 -6.303 7.242 1.00 30.40 H new ATOM 0 HA CYS A 83 1.633 -5.036 8.968 1.00 20.42 H new ATOM 0 HB2 CYS A 83 1.347 -7.658 7.538 1.00 2.44 H new ATOM 0 HB3 CYS A 83 2.942 -7.223 8.121 1.00 2.44 H new ATOM 0 HG CYS A 83 0.177 -7.984 9.944 1.00 2.40 H new ATOM 1332 N VAL A 84 2.306 -5.123 5.761 1.00 63.31 N ATOM 1333 CA VAL A 84 3.197 -4.605 4.731 1.00 31.02 C ATOM 1334 C VAL A 84 3.083 -3.089 4.617 1.00 31.12 C ATOM 1335 O VAL A 84 4.085 -2.391 4.465 1.00 12.22 O ATOM 1336 CB VAL A 84 2.896 -5.236 3.358 1.00 72.42 C ATOM 1337 CG1 VAL A 84 3.729 -4.576 2.272 1.00 12.43 C ATOM 1338 CG2 VAL A 84 3.147 -6.737 3.396 1.00 14.24 C ATOM 0 H VAL A 84 1.471 -5.586 5.402 1.00 63.31 H new ATOM 0 HA VAL A 84 4.212 -4.869 5.029 1.00 31.02 H new ATOM 0 HB VAL A 84 1.844 -5.071 3.125 1.00 72.42 H new ATOM 0 HG11 VAL A 84 3.502 -5.035 1.310 1.00 12.43 H new ATOM 0 HG12 VAL A 84 3.495 -3.512 2.230 1.00 12.43 H new ATOM 0 HG13 VAL A 84 4.788 -4.706 2.496 1.00 12.43 H new ATOM 0 HG21 VAL A 84 2.930 -7.167 2.418 1.00 14.24 H new ATOM 0 HG22 VAL A 84 4.190 -6.925 3.651 1.00 14.24 H new ATOM 0 HG23 VAL A 84 2.502 -7.195 4.146 1.00 14.24 H new ATOM 1348 N ILE A 85 1.855 -2.587 4.690 1.00 52.34 N ATOM 1349 CA ILE A 85 1.610 -1.153 4.597 1.00 70.22 C ATOM 1350 C ILE A 85 2.316 -0.400 5.719 1.00 74.04 C ATOM 1351 O ILE A 85 3.063 0.546 5.471 1.00 30.13 O ATOM 1352 CB ILE A 85 0.104 -0.835 4.650 1.00 23.23 C ATOM 1353 CG1 ILE A 85 -0.638 -1.587 3.544 1.00 14.24 C ATOM 1354 CG2 ILE A 85 -0.125 0.664 4.525 1.00 64.31 C ATOM 1355 CD1 ILE A 85 -0.281 -1.118 2.150 1.00 42.13 C ATOM 0 H ILE A 85 1.015 -3.152 4.813 1.00 52.34 H new ATOM 0 HA ILE A 85 2.009 -0.827 3.637 1.00 70.22 H new ATOM 0 HB ILE A 85 -0.288 -1.164 5.612 1.00 23.23 H new ATOM 0 HG12 ILE A 85 -0.417 -2.651 3.628 1.00 14.24 H new ATOM 0 HG13 ILE A 85 -1.711 -1.471 3.694 1.00 14.24 H new ATOM 0 HG21 ILE A 85 -1.194 0.873 4.564 1.00 64.31 H new ATOM 0 HG22 ILE A 85 0.376 1.178 5.345 1.00 64.31 H new ATOM 0 HG23 ILE A 85 0.279 1.016 3.576 1.00 64.31 H new ATOM 0 HD11 ILE A 85 -0.844 -1.695 1.417 1.00 42.13 H new ATOM 0 HD12 ILE A 85 -0.528 -0.061 2.047 1.00 42.13 H new ATOM 0 HD13 ILE A 85 0.786 -1.260 1.981 1.00 42.13 H new ATOM 1367 N TRP A 86 2.077 -0.828 6.954 1.00 34.44 N ATOM 1368 CA TRP A 86 2.694 -0.196 8.114 1.00 45.23 C ATOM 1369 C TRP A 86 4.206 -0.104 7.946 1.00 63.44 C ATOM 1370 O TRP A 86 4.809 0.933 8.224 1.00 41.22 O ATOM 1371 CB TRP A 86 2.355 -0.976 9.386 1.00 14.02 C ATOM 1372 CG TRP A 86 2.889 -0.340 10.633 1.00 5.22 C ATOM 1373 CD1 TRP A 86 2.233 0.535 11.451 1.00 52.43 C ATOM 1374 CD2 TRP A 86 4.190 -0.527 11.201 1.00 64.12 C ATOM 1375 NE1 TRP A 86 3.048 0.903 12.495 1.00 52.55 N ATOM 1376 CE2 TRP A 86 4.253 0.265 12.366 1.00 31.33 C ATOM 1377 CE3 TRP A 86 5.305 -1.287 10.842 1.00 75.43 C ATOM 1378 CZ2 TRP A 86 5.389 0.315 13.169 1.00 0.42 C ATOM 1379 CZ3 TRP A 86 6.432 -1.235 11.642 1.00 31.44 C ATOM 1380 CH2 TRP A 86 6.467 -0.439 12.794 1.00 3.43 C ATOM 0 H TRP A 86 1.461 -1.610 7.177 1.00 34.44 H new ATOM 0 HA TRP A 86 2.296 0.815 8.199 1.00 45.23 H new ATOM 0 HB2 TRP A 86 1.272 -1.069 9.469 1.00 14.02 H new ATOM 0 HB3 TRP A 86 2.756 -1.986 9.302 1.00 14.02 H new ATOM 0 HD1 TRP A 86 1.223 0.886 11.300 1.00 52.43 H new ATOM 0 HE1 TRP A 86 2.796 1.547 13.245 1.00 52.55 H new ATOM 0 HE3 TRP A 86 5.288 -1.904 9.956 1.00 75.43 H new ATOM 0 HZ2 TRP A 86 5.418 0.928 14.058 1.00 0.42 H new ATOM 0 HZ3 TRP A 86 7.300 -1.818 11.374 1.00 31.44 H new ATOM 0 HH2 TRP A 86 7.362 -0.420 13.398 1.00 3.43 H new ATOM 1391 N CYS A 87 4.813 -1.194 7.490 1.00 65.24 N ATOM 1392 CA CYS A 87 6.257 -1.237 7.285 1.00 40.25 C ATOM 1393 C CYS A 87 6.718 -0.066 6.423 1.00 62.34 C ATOM 1394 O CYS A 87 7.604 0.693 6.816 1.00 1.53 O ATOM 1395 CB CYS A 87 6.661 -2.558 6.632 1.00 20.42 C ATOM 1396 SG CYS A 87 6.807 -3.941 7.788 1.00 62.14 S ATOM 0 H CYS A 87 4.328 -2.060 7.255 1.00 65.24 H new ATOM 0 HA CYS A 87 6.741 -1.160 8.259 1.00 40.25 H new ATOM 0 HB2 CYS A 87 5.926 -2.813 5.869 1.00 20.42 H new ATOM 0 HB3 CYS A 87 7.615 -2.422 6.123 1.00 20.42 H new ATOM 0 HG CYS A 87 5.638 -4.481 7.968 1.00 62.14 H new ATOM 1402 N ILE A 88 6.113 0.071 5.249 1.00 33.43 N ATOM 1403 CA ILE A 88 6.463 1.148 4.331 1.00 50.12 C ATOM 1404 C ILE A 88 6.498 2.492 5.050 1.00 72.12 C ATOM 1405 O ILE A 88 7.333 3.346 4.751 1.00 53.24 O ATOM 1406 CB ILE A 88 5.470 1.231 3.157 1.00 14.44 C ATOM 1407 CG1 ILE A 88 5.485 -0.071 2.354 1.00 11.50 C ATOM 1408 CG2 ILE A 88 5.807 2.416 2.262 1.00 31.50 C ATOM 1409 CD1 ILE A 88 4.197 -0.334 1.605 1.00 11.41 C ATOM 0 H ILE A 88 5.378 -0.550 4.910 1.00 33.43 H new ATOM 0 HA ILE A 88 7.455 0.922 3.941 1.00 50.12 H new ATOM 0 HB ILE A 88 4.467 1.376 3.558 1.00 14.44 H new ATOM 0 HG12 ILE A 88 6.310 -0.040 1.642 1.00 11.50 H new ATOM 0 HG13 ILE A 88 5.679 -0.903 3.030 1.00 11.50 H new ATOM 0 HG21 ILE A 88 5.097 2.462 1.436 1.00 31.50 H new ATOM 0 HG22 ILE A 88 5.750 3.337 2.842 1.00 31.50 H new ATOM 0 HG23 ILE A 88 6.816 2.298 1.866 1.00 31.50 H new ATOM 0 HD11 ILE A 88 4.279 -1.273 1.058 1.00 11.41 H new ATOM 0 HD12 ILE A 88 3.371 -0.398 2.313 1.00 11.41 H new ATOM 0 HD13 ILE A 88 4.012 0.479 0.903 1.00 11.41 H new ATOM 1421 N HIS A 89 5.586 2.673 6.000 1.00 11.21 N ATOM 1422 CA HIS A 89 5.513 3.914 6.764 1.00 62.22 C ATOM 1423 C HIS A 89 6.578 3.941 7.856 1.00 52.30 C ATOM 1424 O HIS A 89 7.052 5.036 8.157 1.00 10.54 O ATOM 1425 CB HIS A 89 4.125 4.074 7.386 1.00 41.01 C ATOM 1426 CG HIS A 89 3.009 3.977 6.392 1.00 71.33 C ATOM 1427 ND1 HIS A 89 2.993 4.680 5.207 1.00 14.32 N ATOM 1428 CD2 HIS A 89 1.866 3.252 6.412 1.00 33.32 C ATOM 1429 CE1 HIS A 89 1.888 4.393 4.541 1.00 73.10 C ATOM 1430 NE2 HIS A 89 1.188 3.527 5.251 1.00 64.23 N ATOM 0 H HIS A 89 4.887 1.976 6.259 1.00 11.21 H new ATOM 0 HA HIS A 89 5.695 4.744 6.081 1.00 62.22 H new ATOM 0 HB2 HIS A 89 3.988 3.309 8.150 1.00 41.01 H new ATOM 0 HB3 HIS A 89 4.070 5.040 7.889 1.00 41.01 H new ATOM 0 HD2 HIS A 89 1.547 2.582 7.196 1.00 33.32 H new ATOM 0 HE1 HIS A 89 1.606 4.798 3.580 1.00 73.10 H new ATOM 0 HE2 HIS A 89 0.289 3.127 4.980 1.00 64.23 H new ATOM 1438 N ALA A 90 6.955 2.806 8.436 1.00 43.54 N ATOM 1439 CA ALA A 90 7.970 2.783 9.483 1.00 1.24 C ATOM 1440 C ALA A 90 9.367 2.634 8.888 1.00 4.30 C ATOM 1441 O ALA A 90 10.326 2.343 9.602 1.00 4.32 O ATOM 1442 CB ALA A 90 7.689 1.656 10.465 1.00 74.00 C ATOM 0 H ALA A 90 6.573 1.890 8.199 1.00 43.54 H new ATOM 0 HA ALA A 90 7.930 3.733 10.016 1.00 1.24 H new ATOM 0 HB1 ALA A 90 8.454 1.650 11.241 1.00 74.00 H new ATOM 0 HB2 ALA A 90 6.711 1.806 10.921 1.00 74.00 H new ATOM 0 HB3 ALA A 90 7.701 0.702 9.937 1.00 74.00 H new ATOM 1448 N GLU A 91 9.472 2.836 7.579 1.00 23.03 N ATOM 1449 CA GLU A 91 10.752 2.723 6.890 1.00 54.11 C ATOM 1450 C GLU A 91 11.227 1.273 6.860 1.00 52.53 C ATOM 1451 O GLU A 91 12.361 0.989 6.474 1.00 0.33 O ATOM 1452 CB GLU A 91 11.803 3.602 7.572 1.00 23.01 C ATOM 1453 CG GLU A 91 12.690 4.356 6.596 1.00 54.45 C ATOM 1454 CD GLU A 91 13.399 5.532 7.243 1.00 33.35 C ATOM 1455 OE1 GLU A 91 12.890 6.043 8.262 1.00 40.32 O ATOM 1456 OE2 GLU A 91 14.461 5.940 6.729 1.00 41.10 O ATOM 0 H GLU A 91 8.687 3.079 6.975 1.00 23.03 H new ATOM 0 HA GLU A 91 10.615 3.064 5.864 1.00 54.11 H new ATOM 0 HB2 GLU A 91 11.300 4.319 8.221 1.00 23.01 H new ATOM 0 HB3 GLU A 91 12.428 2.978 8.211 1.00 23.01 H new ATOM 0 HG2 GLU A 91 13.431 3.673 6.181 1.00 54.45 H new ATOM 0 HG3 GLU A 91 12.085 4.714 5.763 1.00 54.45 H new ATOM 1463 N GLU A 92 10.353 0.361 7.272 1.00 1.14 N ATOM 1464 CA GLU A 92 10.683 -1.059 7.293 1.00 74.12 C ATOM 1465 C GLU A 92 10.612 -1.656 5.891 1.00 2.54 C ATOM 1466 O GLU A 92 9.660 -1.414 5.148 1.00 32.22 O ATOM 1467 CB GLU A 92 9.735 -1.812 8.228 1.00 53.20 C ATOM 1468 CG GLU A 92 10.043 -1.607 9.702 1.00 1.41 C ATOM 1469 CD GLU A 92 11.063 -2.598 10.228 1.00 45.51 C ATOM 1470 OE1 GLU A 92 11.904 -3.063 9.433 1.00 22.32 O ATOM 1471 OE2 GLU A 92 11.019 -2.907 11.438 1.00 64.10 O ATOM 0 H GLU A 92 9.411 0.580 7.596 1.00 1.14 H new ATOM 0 HA GLU A 92 11.704 -1.162 7.661 1.00 74.12 H new ATOM 0 HB2 GLU A 92 8.712 -1.490 8.031 1.00 53.20 H new ATOM 0 HB3 GLU A 92 9.783 -2.877 8.000 1.00 53.20 H new ATOM 0 HG2 GLU A 92 10.414 -0.594 9.854 1.00 1.41 H new ATOM 0 HG3 GLU A 92 9.122 -1.699 10.278 1.00 1.41 H new ATOM 1478 N LYS A 93 11.627 -2.436 5.534 1.00 21.03 N ATOM 1479 CA LYS A 93 11.681 -3.069 4.221 1.00 53.52 C ATOM 1480 C LYS A 93 11.704 -4.588 4.350 1.00 32.11 C ATOM 1481 O LYS A 93 12.417 -5.139 5.189 1.00 35.33 O ATOM 1482 CB LYS A 93 12.917 -2.593 3.454 1.00 33.13 C ATOM 1483 CG LYS A 93 14.222 -2.830 4.194 1.00 62.01 C ATOM 1484 CD LYS A 93 14.797 -1.534 4.740 1.00 55.31 C ATOM 1485 CE LYS A 93 15.844 -1.796 5.812 1.00 44.14 C ATOM 1486 NZ LYS A 93 16.957 -0.808 5.754 1.00 44.24 N ATOM 0 H LYS A 93 12.424 -2.645 6.136 1.00 21.03 H new ATOM 0 HA LYS A 93 10.785 -2.782 3.670 1.00 53.52 H new ATOM 0 HB2 LYS A 93 12.957 -3.105 2.492 1.00 33.13 H new ATOM 0 HB3 LYS A 93 12.816 -1.528 3.245 1.00 33.13 H new ATOM 0 HG2 LYS A 93 14.055 -3.529 5.014 1.00 62.01 H new ATOM 0 HG3 LYS A 93 14.943 -3.294 3.522 1.00 62.01 H new ATOM 0 HD2 LYS A 93 15.243 -0.962 3.927 1.00 55.31 H new ATOM 0 HD3 LYS A 93 13.994 -0.925 5.155 1.00 55.31 H new ATOM 0 HE2 LYS A 93 15.375 -1.757 6.795 1.00 44.14 H new ATOM 0 HE3 LYS A 93 16.245 -2.802 5.690 1.00 44.14 H new ATOM 0 HZ1 LYS A 93 17.649 -1.021 6.500 1.00 44.24 H new ATOM 0 HZ2 LYS A 93 17.421 -0.862 4.825 1.00 44.24 H new ATOM 0 HZ3 LYS A 93 16.578 0.150 5.896 1.00 44.24 H new ATOM 1500 N VAL A 94 10.920 -5.261 3.513 1.00 42.14 N ATOM 1501 CA VAL A 94 10.853 -6.716 3.533 1.00 24.34 C ATOM 1502 C VAL A 94 10.898 -7.287 2.120 1.00 63.41 C ATOM 1503 O VAL A 94 10.308 -6.731 1.194 1.00 20.44 O ATOM 1504 CB VAL A 94 9.571 -7.210 4.232 1.00 53.23 C ATOM 1505 CG1 VAL A 94 9.491 -6.660 5.648 1.00 11.53 C ATOM 1506 CG2 VAL A 94 8.342 -6.819 3.428 1.00 3.00 C ATOM 0 H VAL A 94 10.323 -4.821 2.813 1.00 42.14 H new ATOM 0 HA VAL A 94 11.721 -7.065 4.092 1.00 24.34 H new ATOM 0 HB VAL A 94 9.605 -8.298 4.292 1.00 53.23 H new ATOM 0 HG11 VAL A 94 8.580 -7.019 6.127 1.00 11.53 H new ATOM 0 HG12 VAL A 94 10.357 -6.996 6.218 1.00 11.53 H new ATOM 0 HG13 VAL A 94 9.479 -5.571 5.615 1.00 11.53 H new ATOM 0 HG21 VAL A 94 7.446 -7.176 3.936 1.00 3.00 H new ATOM 0 HG22 VAL A 94 8.298 -5.734 3.335 1.00 3.00 H new ATOM 0 HG23 VAL A 94 8.399 -7.267 2.436 1.00 3.00 H new ATOM 1516 N LYS A 95 11.603 -8.402 1.961 1.00 73.50 N ATOM 1517 CA LYS A 95 11.726 -9.052 0.662 1.00 13.14 C ATOM 1518 C LYS A 95 10.375 -9.580 0.187 1.00 54.30 C ATOM 1519 O LYS A 95 9.952 -9.307 -0.937 1.00 71.34 O ATOM 1520 CB LYS A 95 12.736 -10.199 0.734 1.00 54.53 C ATOM 1521 CG LYS A 95 13.331 -10.574 -0.612 1.00 45.51 C ATOM 1522 CD LYS A 95 14.776 -11.021 -0.479 1.00 34.11 C ATOM 1523 CE LYS A 95 14.888 -12.537 -0.427 1.00 52.25 C ATOM 1524 NZ LYS A 95 14.924 -13.042 0.974 1.00 33.32 N ATOM 0 H LYS A 95 12.098 -8.875 2.717 1.00 73.50 H new ATOM 0 HA LYS A 95 12.079 -8.310 -0.054 1.00 13.14 H new ATOM 0 HB2 LYS A 95 13.542 -9.919 1.412 1.00 54.53 H new ATOM 0 HB3 LYS A 95 12.248 -11.075 1.162 1.00 54.53 H new ATOM 0 HG2 LYS A 95 12.742 -11.374 -1.061 1.00 45.51 H new ATOM 0 HG3 LYS A 95 13.274 -9.719 -1.286 1.00 45.51 H new ATOM 0 HD2 LYS A 95 15.354 -10.641 -1.321 1.00 34.11 H new ATOM 0 HD3 LYS A 95 15.209 -10.592 0.425 1.00 34.11 H new ATOM 0 HE2 LYS A 95 14.043 -12.982 -0.952 1.00 52.25 H new ATOM 0 HE3 LYS A 95 15.790 -12.853 -0.950 1.00 52.25 H new ATOM 0 HZ1 LYS A 95 15.001 -14.079 0.967 1.00 33.32 H new ATOM 0 HZ2 LYS A 95 15.745 -12.637 1.468 1.00 33.32 H new ATOM 0 HZ3 LYS A 95 14.052 -12.763 1.466 1.00 33.32 H new ATOM 1538 N ASP A 96 9.705 -10.334 1.051 1.00 3.13 N ATOM 1539 CA ASP A 96 8.401 -10.897 0.720 1.00 60.21 C ATOM 1540 C ASP A 96 7.397 -10.635 1.838 1.00 64.20 C ATOM 1541 O ASP A 96 7.775 -10.414 2.989 1.00 43.22 O ATOM 1542 CB ASP A 96 8.520 -12.402 0.469 1.00 0.32 C ATOM 1543 CG ASP A 96 9.191 -13.130 1.617 1.00 3.12 C ATOM 1544 OD1 ASP A 96 8.658 -13.075 2.746 1.00 20.01 O ATOM 1545 OD2 ASP A 96 10.247 -13.754 1.387 1.00 61.23 O ATOM 0 H ASP A 96 10.042 -10.569 1.984 1.00 3.13 H new ATOM 0 HA ASP A 96 8.043 -10.412 -0.188 1.00 60.21 H new ATOM 0 HB2 ASP A 96 7.526 -12.820 0.309 1.00 0.32 H new ATOM 0 HB3 ASP A 96 9.088 -12.571 -0.446 1.00 0.32 H new ATOM 1550 N THR A 97 6.113 -10.660 1.492 1.00 23.13 N ATOM 1551 CA THR A 97 5.055 -10.423 2.465 1.00 45.12 C ATOM 1552 C THR A 97 5.273 -11.248 3.728 1.00 65.21 C ATOM 1553 O THR A 97 5.203 -10.728 4.840 1.00 40.31 O ATOM 1554 CB THR A 97 3.669 -10.756 1.880 1.00 2.21 C ATOM 1555 OG1 THR A 97 3.394 -9.910 0.758 1.00 55.53 O ATOM 1556 CG2 THR A 97 2.582 -10.582 2.931 1.00 13.11 C ATOM 0 H THR A 97 5.782 -10.842 0.545 1.00 23.13 H new ATOM 0 HA THR A 97 5.090 -9.363 2.717 1.00 45.12 H new ATOM 0 HB THR A 97 3.677 -11.797 1.556 1.00 2.21 H new ATOM 0 HG1 THR A 97 2.928 -9.103 1.063 1.00 55.53 H new ATOM 0 HG21 THR A 97 1.612 -10.823 2.495 1.00 13.11 H new ATOM 0 HG22 THR A 97 2.778 -11.249 3.771 1.00 13.11 H new ATOM 0 HG23 THR A 97 2.576 -9.550 3.281 1.00 13.11 H new ATOM 1564 N GLU A 98 5.537 -12.539 3.547 1.00 2.32 N ATOM 1565 CA GLU A 98 5.765 -13.436 4.673 1.00 72.20 C ATOM 1566 C GLU A 98 6.816 -12.864 5.620 1.00 71.31 C ATOM 1567 O GLU A 98 6.803 -13.139 6.819 1.00 51.12 O ATOM 1568 CB GLU A 98 6.206 -14.814 4.176 1.00 22.44 C ATOM 1569 CG GLU A 98 5.177 -15.906 4.415 1.00 62.30 C ATOM 1570 CD GLU A 98 5.256 -16.486 5.813 1.00 21.02 C ATOM 1571 OE1 GLU A 98 4.737 -15.847 6.752 1.00 13.25 O ATOM 1572 OE2 GLU A 98 5.838 -17.581 5.968 1.00 51.42 O ATOM 0 H GLU A 98 5.598 -12.986 2.632 1.00 2.32 H new ATOM 0 HA GLU A 98 4.827 -13.538 5.218 1.00 72.20 H new ATOM 0 HB2 GLU A 98 6.419 -14.755 3.109 1.00 22.44 H new ATOM 0 HB3 GLU A 98 7.137 -15.089 4.672 1.00 22.44 H new ATOM 0 HG2 GLU A 98 4.178 -15.502 4.249 1.00 62.30 H new ATOM 0 HG3 GLU A 98 5.323 -16.703 3.686 1.00 62.30 H new ATOM 1579 N GLY A 99 7.729 -12.068 5.070 1.00 52.04 N ATOM 1580 CA GLY A 99 8.776 -11.471 5.878 1.00 50.35 C ATOM 1581 C GLY A 99 8.275 -10.302 6.704 1.00 51.11 C ATOM 1582 O GLY A 99 8.770 -10.053 7.803 1.00 22.11 O ATOM 0 H GLY A 99 7.762 -11.826 4.080 1.00 52.04 H new ATOM 0 HA2 GLY A 99 9.195 -12.228 6.541 1.00 50.35 H new ATOM 0 HA3 GLY A 99 9.584 -11.134 5.229 1.00 50.35 H new ATOM 1586 N ALA A 100 7.293 -9.582 6.172 1.00 63.11 N ATOM 1587 CA ALA A 100 6.725 -8.433 6.867 1.00 54.32 C ATOM 1588 C ALA A 100 5.876 -8.874 8.055 1.00 34.13 C ATOM 1589 O ALA A 100 5.794 -8.176 9.066 1.00 73.41 O ATOM 1590 CB ALA A 100 5.897 -7.591 5.908 1.00 61.40 C ATOM 0 H ALA A 100 6.874 -9.774 5.262 1.00 63.11 H new ATOM 0 HA ALA A 100 7.548 -7.827 7.247 1.00 54.32 H new ATOM 0 HB1 ALA A 100 5.479 -6.737 6.441 1.00 61.40 H new ATOM 0 HB2 ALA A 100 6.531 -7.237 5.095 1.00 61.40 H new ATOM 0 HB3 ALA A 100 5.087 -8.195 5.500 1.00 61.40 H new ATOM 1596 N LYS A 101 5.246 -10.037 7.926 1.00 52.10 N ATOM 1597 CA LYS A 101 4.404 -10.573 8.988 1.00 42.21 C ATOM 1598 C LYS A 101 5.241 -10.961 10.203 1.00 25.53 C ATOM 1599 O LYS A 101 4.755 -10.942 11.334 1.00 24.23 O ATOM 1600 CB LYS A 101 3.622 -11.787 8.484 1.00 24.33 C ATOM 1601 CG LYS A 101 2.193 -11.846 8.995 1.00 64.44 C ATOM 1602 CD LYS A 101 1.735 -13.280 9.205 1.00 20.42 C ATOM 1603 CE LYS A 101 1.944 -13.727 10.644 1.00 53.41 C ATOM 1604 NZ LYS A 101 2.545 -15.087 10.720 1.00 63.44 N ATOM 0 H LYS A 101 5.303 -10.626 7.096 1.00 52.10 H new ATOM 0 HA LYS A 101 3.701 -9.796 9.287 1.00 42.21 H new ATOM 0 HB2 LYS A 101 3.609 -11.773 7.394 1.00 24.33 H new ATOM 0 HB3 LYS A 101 4.144 -12.695 8.785 1.00 24.33 H new ATOM 0 HG2 LYS A 101 2.119 -11.298 9.934 1.00 64.44 H new ATOM 0 HG3 LYS A 101 1.531 -11.352 8.284 1.00 64.44 H new ATOM 0 HD2 LYS A 101 0.680 -13.368 8.945 1.00 20.42 H new ATOM 0 HD3 LYS A 101 2.285 -13.940 8.534 1.00 20.42 H new ATOM 0 HE2 LYS A 101 2.592 -13.015 11.155 1.00 53.41 H new ATOM 0 HE3 LYS A 101 0.988 -13.722 11.168 1.00 53.41 H new ATOM 0 HZ1 LYS A 101 2.672 -15.355 11.717 1.00 63.44 H new ATOM 0 HZ2 LYS A 101 1.915 -15.771 10.254 1.00 63.44 H new ATOM 0 HZ3 LYS A 101 3.469 -15.086 10.242 1.00 63.44 H new ATOM 1618 N GLN A 102 6.499 -11.313 9.960 1.00 63.24 N ATOM 1619 CA GLN A 102 7.403 -11.705 11.035 1.00 41.25 C ATOM 1620 C GLN A 102 7.972 -10.480 11.742 1.00 60.21 C ATOM 1621 O GLN A 102 8.144 -10.479 12.961 1.00 40.15 O ATOM 1622 CB GLN A 102 8.541 -12.567 10.486 1.00 5.45 C ATOM 1623 CG GLN A 102 9.080 -13.575 11.487 1.00 2.12 C ATOM 1624 CD GLN A 102 10.521 -13.957 11.213 1.00 20.10 C ATOM 1625 OE1 GLN A 102 10.795 -14.907 10.477 1.00 42.34 O ATOM 1626 NE2 GLN A 102 11.452 -13.217 11.803 1.00 23.31 N ATOM 0 H GLN A 102 6.915 -11.335 9.029 1.00 63.24 H new ATOM 0 HA GLN A 102 6.834 -12.288 11.759 1.00 41.25 H new ATOM 0 HB2 GLN A 102 8.189 -13.099 9.602 1.00 5.45 H new ATOM 0 HB3 GLN A 102 9.355 -11.917 10.164 1.00 5.45 H new ATOM 0 HG2 GLN A 102 9.003 -13.160 12.492 1.00 2.12 H new ATOM 0 HG3 GLN A 102 8.460 -14.471 11.464 1.00 2.12 H new ATOM 0 HE21 GLN A 102 11.180 -12.440 12.405 1.00 23.31 H new ATOM 0 HE22 GLN A 102 12.439 -13.426 11.655 1.00 23.31 H new ATOM 1635 N ILE A 103 8.265 -9.439 10.969 1.00 64.35 N ATOM 1636 CA ILE A 103 8.814 -8.208 11.522 1.00 3.22 C ATOM 1637 C ILE A 103 7.768 -7.456 12.337 1.00 53.32 C ATOM 1638 O ILE A 103 8.039 -7.004 13.450 1.00 3.23 O ATOM 1639 CB ILE A 103 9.347 -7.282 10.412 1.00 43.25 C ATOM 1640 CG1 ILE A 103 10.470 -7.973 9.637 1.00 2.23 C ATOM 1641 CG2 ILE A 103 9.837 -5.970 11.007 1.00 44.44 C ATOM 1642 CD1 ILE A 103 10.956 -7.181 8.444 1.00 11.15 C ATOM 0 H ILE A 103 8.131 -9.424 9.958 1.00 64.35 H new ATOM 0 HA ILE A 103 9.640 -8.495 12.173 1.00 3.22 H new ATOM 0 HB ILE A 103 8.534 -7.064 9.720 1.00 43.25 H new ATOM 0 HG12 ILE A 103 11.308 -8.152 10.310 1.00 2.23 H new ATOM 0 HG13 ILE A 103 10.120 -8.948 9.298 1.00 2.23 H new ATOM 0 HG21 ILE A 103 10.211 -5.326 10.211 1.00 44.44 H new ATOM 0 HG22 ILE A 103 9.013 -5.473 11.519 1.00 44.44 H new ATOM 0 HG23 ILE A 103 10.639 -6.170 11.718 1.00 44.44 H new ATOM 0 HD11 ILE A 103 11.752 -7.731 7.942 1.00 11.15 H new ATOM 0 HD12 ILE A 103 10.130 -7.024 7.750 1.00 11.15 H new ATOM 0 HD13 ILE A 103 11.337 -6.216 8.779 1.00 11.15 H new ATOM 1654 N VAL A 104 6.569 -7.327 11.777 1.00 61.54 N ATOM 1655 CA VAL A 104 5.480 -6.633 12.453 1.00 43.21 C ATOM 1656 C VAL A 104 5.033 -7.392 13.697 1.00 64.04 C ATOM 1657 O VAL A 104 4.877 -6.809 14.770 1.00 41.33 O ATOM 1658 CB VAL A 104 4.271 -6.442 11.519 1.00 43.31 C ATOM 1659 CG1 VAL A 104 3.101 -5.833 12.277 1.00 42.00 C ATOM 1660 CG2 VAL A 104 4.651 -5.578 10.326 1.00 24.01 C ATOM 0 H VAL A 104 6.328 -7.694 10.857 1.00 61.54 H new ATOM 0 HA VAL A 104 5.861 -5.655 12.746 1.00 43.21 H new ATOM 0 HB VAL A 104 3.963 -7.419 11.148 1.00 43.31 H new ATOM 0 HG11 VAL A 104 2.256 -5.706 11.600 1.00 42.00 H new ATOM 0 HG12 VAL A 104 2.814 -6.493 13.095 1.00 42.00 H new ATOM 0 HG13 VAL A 104 3.393 -4.863 12.679 1.00 42.00 H new ATOM 0 HG21 VAL A 104 3.785 -5.453 9.676 1.00 24.01 H new ATOM 0 HG22 VAL A 104 4.986 -4.601 10.676 1.00 24.01 H new ATOM 0 HG23 VAL A 104 5.455 -6.059 9.770 1.00 24.01 H new ATOM 1670 N ARG A 105 4.827 -8.696 13.546 1.00 3.01 N ATOM 1671 CA ARG A 105 4.397 -9.536 14.657 1.00 44.21 C ATOM 1672 C ARG A 105 5.333 -9.378 15.852 1.00 44.02 C ATOM 1673 O ARG A 105 4.884 -9.199 16.985 1.00 22.14 O ATOM 1674 CB ARG A 105 4.346 -11.003 14.225 1.00 70.04 C ATOM 1675 CG ARG A 105 3.836 -11.939 15.309 1.00 2.41 C ATOM 1676 CD ARG A 105 3.970 -13.396 14.895 1.00 1.13 C ATOM 1677 NE ARG A 105 5.364 -13.782 14.695 1.00 22.24 N ATOM 1678 CZ ARG A 105 5.736 -14.892 14.066 1.00 33.14 C ATOM 1679 NH1 ARG A 105 4.823 -15.720 13.579 1.00 24.42 N ATOM 1680 NH2 ARG A 105 7.025 -15.174 13.923 1.00 31.22 N ATOM 0 H ARG A 105 4.951 -9.194 12.664 1.00 3.01 H new ATOM 0 HA ARG A 105 3.398 -9.218 14.955 1.00 44.21 H new ATOM 0 HB2 ARG A 105 3.705 -11.093 13.348 1.00 70.04 H new ATOM 0 HB3 ARG A 105 5.345 -11.319 13.924 1.00 70.04 H new ATOM 0 HG2 ARG A 105 4.393 -11.769 16.230 1.00 2.41 H new ATOM 0 HG3 ARG A 105 2.791 -11.715 15.523 1.00 2.41 H new ATOM 0 HD2 ARG A 105 3.524 -14.032 15.659 1.00 1.13 H new ATOM 0 HD3 ARG A 105 3.412 -13.564 13.974 1.00 1.13 H new ATOM 0 HE ARG A 105 6.092 -13.166 15.058 1.00 22.24 H new ATOM 0 HH11 ARG A 105 3.831 -15.506 13.686 1.00 24.42 H new ATOM 0 HH12 ARG A 105 5.112 -16.571 13.097 1.00 24.42 H new ATOM 0 HH21 ARG A 105 7.730 -14.539 14.296 1.00 31.22 H new ATOM 0 HH22 ARG A 105 7.310 -16.026 13.440 1.00 31.22 H new ATOM 1694 N ARG A 106 6.633 -9.448 15.591 1.00 13.42 N ATOM 1695 CA ARG A 106 7.632 -9.314 16.645 1.00 61.50 C ATOM 1696 C ARG A 106 7.480 -7.982 17.372 1.00 52.11 C ATOM 1697 O ARG A 106 7.631 -7.907 18.592 1.00 72.52 O ATOM 1698 CB ARG A 106 9.041 -9.431 16.060 1.00 62.43 C ATOM 1699 CG ARG A 106 10.139 -9.424 17.111 1.00 2.23 C ATOM 1700 CD ARG A 106 10.992 -8.168 17.017 1.00 64.31 C ATOM 1701 NE ARG A 106 11.707 -7.898 18.261 1.00 41.03 N ATOM 1702 CZ ARG A 106 12.317 -6.748 18.523 1.00 41.30 C ATOM 1703 NH1 ARG A 106 12.298 -5.766 17.632 1.00 12.03 N ATOM 1704 NH2 ARG A 106 12.947 -6.577 19.679 1.00 31.43 N ATOM 0 H ARG A 106 7.020 -9.597 14.659 1.00 13.42 H new ATOM 0 HA ARG A 106 7.476 -10.119 17.363 1.00 61.50 H new ATOM 0 HB2 ARG A 106 9.110 -10.352 15.481 1.00 62.43 H new ATOM 0 HB3 ARG A 106 9.207 -8.606 15.367 1.00 62.43 H new ATOM 0 HG2 ARG A 106 9.694 -9.490 18.104 1.00 2.23 H new ATOM 0 HG3 ARG A 106 10.770 -10.304 16.986 1.00 2.23 H new ATOM 0 HD2 ARG A 106 11.709 -8.277 16.203 1.00 64.31 H new ATOM 0 HD3 ARG A 106 10.358 -7.316 16.771 1.00 64.31 H new ATOM 0 HE ARG A 106 11.740 -8.633 18.968 1.00 41.03 H new ATOM 0 HH11 ARG A 106 11.814 -5.893 16.743 1.00 12.03 H new ATOM 0 HH12 ARG A 106 12.767 -4.884 17.836 1.00 12.03 H new ATOM 0 HH21 ARG A 106 12.963 -7.330 20.367 1.00 31.43 H new ATOM 0 HH22 ARG A 106 13.415 -5.693 19.879 1.00 31.43 H new ATOM 1718 N HIS A 107 7.183 -6.931 16.615 1.00 41.31 N ATOM 1719 CA HIS A 107 7.011 -5.599 17.186 1.00 12.11 C ATOM 1720 C HIS A 107 5.825 -5.570 18.146 1.00 0.03 C ATOM 1721 O HIS A 107 5.874 -4.773 19.083 1.00 41.45 O ATOM 1722 CB HIS A 107 6.809 -4.566 16.077 1.00 63.10 C ATOM 1723 CG HIS A 107 8.081 -4.160 15.398 1.00 25.05 C ATOM 1724 ND1 HIS A 107 9.160 -3.635 16.075 1.00 34.31 N ATOM 1725 CD2 HIS A 107 8.441 -4.206 14.094 1.00 2.32 C ATOM 1726 CE1 HIS A 107 10.131 -3.375 15.216 1.00 65.15 C ATOM 1727 NE2 HIS A 107 9.719 -3.712 14.007 1.00 61.33 N ATOM 0 H HIS A 107 7.056 -6.975 15.604 1.00 41.31 H new ATOM 0 HA HIS A 107 7.915 -5.350 17.743 1.00 12.11 H new ATOM 0 HB2 HIS A 107 6.124 -4.973 15.333 1.00 63.10 H new ATOM 0 HB3 HIS A 107 6.333 -3.681 16.499 1.00 63.10 H new ATOM 0 HD2 HIS A 107 7.836 -4.565 13.275 1.00 2.32 H new ATOM 0 HE1 HIS A 107 11.097 -2.958 15.461 1.00 65.15 H new ATOM 0 HE2 HIS A 107 10.262 -3.620 13.148 1.00 61.33 H new ATOM 1735 N LEU A 108 4.797 -6.389 17.946 1.00 52.04 N ATOM 1736 CA LEU A 108 3.642 -6.397 18.837 1.00 34.44 C ATOM 1737 C LEU A 108 3.941 -7.183 20.109 1.00 42.04 C ATOM 1738 O LEU A 108 3.626 -6.740 21.215 1.00 35.34 O ATOM 1739 CB LEU A 108 2.429 -6.999 18.125 1.00 62.43 C ATOM 1740 CG LEU A 108 2.026 -6.336 16.808 1.00 12.11 C ATOM 1741 CD1 LEU A 108 0.972 -7.166 16.092 1.00 44.35 C ATOM 1742 CD2 LEU A 108 1.518 -4.923 17.056 1.00 30.14 C ATOM 0 H LEU A 108 4.740 -7.055 17.176 1.00 52.04 H new ATOM 0 HA LEU A 108 3.420 -5.366 19.113 1.00 34.44 H new ATOM 0 HB2 LEU A 108 2.633 -8.052 17.931 1.00 62.43 H new ATOM 0 HB3 LEU A 108 1.577 -6.959 18.804 1.00 62.43 H new ATOM 0 HG LEU A 108 2.907 -6.277 16.169 1.00 12.11 H new ATOM 0 HD11 LEU A 108 0.698 -6.678 15.157 1.00 44.35 H new ATOM 0 HD12 LEU A 108 1.372 -8.158 15.880 1.00 44.35 H new ATOM 0 HD13 LEU A 108 0.090 -7.258 16.725 1.00 44.35 H new ATOM 0 HD21 LEU A 108 1.236 -4.466 16.107 1.00 30.14 H new ATOM 0 HD22 LEU A 108 0.650 -4.959 17.714 1.00 30.14 H new ATOM 0 HD23 LEU A 108 2.304 -4.331 17.524 1.00 30.14 H new