USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 850 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 30:sc= -0.745! USER MOD Set 1.2: A 97 THR OG1 : rot -110:sc= 0.653 USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= -0.0238 (180deg=-0.245) 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= -2.09! C(o=-2.1!,f=-7.3!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= 0.01 (180deg=-0.243) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 113:sc= 0.601 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 110:sc= -0.326 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 180:sc= -0.561 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0941 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.62 K(o=-1.6,f=-3.3!) USER MOD Single : A 81 THR OG1 : rot 74:sc= 1.15 USER MOD Single : A 83 CYS SG : rot 76:sc= 0.0352 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.0543 USER MOD Single : A 89 HIS : no HD1:sc= -0.0961 K(o=-0.096,f=-1.4!) 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= -1.85! C(o=-1.8!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 4.311 7.119 -3.974 1.00 3.02 N ATOM 103 CA ARG A 9 5.380 8.054 -4.307 1.00 33.44 C ATOM 104 C ARG A 9 6.290 7.475 -5.386 1.00 45.45 C ATOM 105 O ARG A 9 6.016 6.411 -5.938 1.00 44.04 O ATOM 106 CB ARG A 9 6.200 8.390 -3.060 1.00 73.51 C ATOM 107 CG ARG A 9 6.410 9.881 -2.853 1.00 31.03 C ATOM 108 CD ARG A 9 5.229 10.515 -2.135 1.00 52.00 C ATOM 109 NE ARG A 9 5.151 11.954 -2.375 1.00 73.55 N ATOM 110 CZ ARG A 9 4.371 12.773 -1.680 1.00 0.44 C ATOM 111 NH1 ARG A 9 3.607 12.300 -0.705 1.00 40.34 N ATOM 112 NH2 ARG A 9 4.355 14.071 -1.959 1.00 33.23 N ATOM 0 HA ARG A 9 4.924 8.967 -4.690 1.00 33.44 H new ATOM 0 HB2 ARG A 9 5.699 7.977 -2.184 1.00 73.51 H new ATOM 0 HB3 ARG A 9 7.172 7.901 -3.132 1.00 73.51 H new ATOM 0 HG2 ARG A 9 7.319 10.045 -2.275 1.00 31.03 H new ATOM 0 HG3 ARG A 9 6.554 10.367 -3.818 1.00 31.03 H new ATOM 0 HD2 ARG A 9 4.305 10.041 -2.468 1.00 52.00 H new ATOM 0 HD3 ARG A 9 5.314 10.330 -1.064 1.00 52.00 H new ATOM 0 HE ARG A 9 5.727 12.351 -3.117 1.00 73.55 H new ATOM 0 HH11 ARG A 9 3.617 11.304 -0.487 1.00 40.34 H new ATOM 0 HH12 ARG A 9 3.009 12.932 -0.173 1.00 40.34 H new ATOM 0 HH21 ARG A 9 4.942 14.439 -2.708 1.00 33.23 H new ATOM 0 HH22 ARG A 9 3.756 14.700 -1.425 1.00 33.23 H new ATOM 126 N GLY A 10 7.374 8.187 -5.683 1.00 0.42 N ATOM 127 CA GLY A 10 8.307 7.730 -6.696 1.00 74.43 C ATOM 128 C GLY A 10 9.260 6.673 -6.172 1.00 50.52 C ATOM 129 O GLY A 10 9.159 5.501 -6.532 1.00 70.42 O ATOM 0 H GLY A 10 7.622 9.072 -5.240 1.00 0.42 H new ATOM 0 HA2 GLY A 10 7.751 7.326 -7.542 1.00 74.43 H new ATOM 0 HA3 GLY A 10 8.880 8.579 -7.068 1.00 74.43 H new ATOM 133 N LYS A 11 10.190 7.090 -5.319 1.00 44.23 N ATOM 134 CA LYS A 11 11.166 6.172 -4.744 1.00 3.52 C ATOM 135 C LYS A 11 10.478 5.101 -3.906 1.00 33.32 C ATOM 136 O LYS A 11 10.873 3.934 -3.923 1.00 51.42 O ATOM 137 CB LYS A 11 12.172 6.940 -3.883 1.00 20.34 C ATOM 138 CG LYS A 11 13.448 6.165 -3.598 1.00 75.55 C ATOM 139 CD LYS A 11 14.436 6.278 -4.746 1.00 43.50 C ATOM 140 CE LYS A 11 15.657 5.400 -4.520 1.00 64.42 C ATOM 141 NZ LYS A 11 15.305 3.952 -4.517 1.00 1.24 N ATOM 0 H LYS A 11 10.288 8.057 -5.011 1.00 44.23 H new ATOM 0 HA LYS A 11 11.695 5.683 -5.563 1.00 3.52 H new ATOM 0 HB2 LYS A 11 12.428 7.873 -4.384 1.00 20.34 H new ATOM 0 HB3 LYS A 11 11.700 7.206 -2.937 1.00 20.34 H new ATOM 0 HG2 LYS A 11 13.907 6.541 -2.683 1.00 75.55 H new ATOM 0 HG3 LYS A 11 13.207 5.116 -3.426 1.00 75.55 H new ATOM 0 HD2 LYS A 11 13.948 5.991 -5.677 1.00 43.50 H new ATOM 0 HD3 LYS A 11 14.749 7.316 -4.857 1.00 43.50 H new ATOM 0 HE2 LYS A 11 16.393 5.593 -5.300 1.00 64.42 H new ATOM 0 HE3 LYS A 11 16.123 5.663 -3.570 1.00 64.42 H new ATOM 0 HZ1 LYS A 11 16.169 3.385 -4.633 1.00 1.24 H new ATOM 0 HZ2 LYS A 11 14.849 3.708 -3.615 1.00 1.24 H new ATOM 0 HZ3 LYS A 11 14.652 3.752 -5.301 1.00 1.24 H new ATOM 155 N LYS A 12 9.445 5.501 -3.172 1.00 41.22 N ATOM 156 CA LYS A 12 8.699 4.575 -2.330 1.00 14.03 C ATOM 157 C LYS A 12 8.079 3.458 -3.164 1.00 3.42 C ATOM 158 O LYS A 12 8.183 2.282 -2.817 1.00 14.44 O ATOM 159 CB LYS A 12 7.604 5.320 -1.562 1.00 71.04 C ATOM 160 CG LYS A 12 7.971 5.626 -0.121 1.00 51.34 C ATOM 161 CD LYS A 12 8.599 7.004 0.013 1.00 4.01 C ATOM 162 CE LYS A 12 10.049 7.003 -0.448 1.00 20.33 C ATOM 163 NZ LYS A 12 10.873 7.981 0.314 1.00 44.45 N ATOM 0 H LYS A 12 9.105 6.462 -3.144 1.00 41.22 H new ATOM 0 HA LYS A 12 9.395 4.130 -1.619 1.00 14.03 H new ATOM 0 HB2 LYS A 12 7.382 6.254 -2.078 1.00 71.04 H new ATOM 0 HB3 LYS A 12 6.692 4.723 -1.577 1.00 71.04 H new ATOM 0 HG2 LYS A 12 7.079 5.569 0.503 1.00 51.34 H new ATOM 0 HG3 LYS A 12 8.666 4.871 0.247 1.00 51.34 H new ATOM 0 HD2 LYS A 12 8.029 7.723 -0.575 1.00 4.01 H new ATOM 0 HD3 LYS A 12 8.547 7.329 1.052 1.00 4.01 H new ATOM 0 HE2 LYS A 12 10.468 6.004 -0.328 1.00 20.33 H new ATOM 0 HE3 LYS A 12 10.093 7.241 -1.511 1.00 20.33 H new ATOM 0 HZ1 LYS A 12 11.854 7.950 -0.029 1.00 44.45 H new ATOM 0 HZ2 LYS A 12 10.489 8.938 0.179 1.00 44.45 H new ATOM 0 HZ3 LYS A 12 10.852 7.739 1.325 1.00 44.45 H new ATOM 177 N ALA A 13 7.439 3.834 -4.265 1.00 51.21 N ATOM 178 CA ALA A 13 6.807 2.863 -5.151 1.00 10.53 C ATOM 179 C ALA A 13 7.785 1.763 -5.545 1.00 31.32 C ATOM 180 O ALA A 13 7.400 0.604 -5.700 1.00 33.51 O ATOM 181 CB ALA A 13 6.261 3.557 -6.390 1.00 51.44 C ATOM 0 H ALA A 13 7.344 4.804 -4.566 1.00 51.21 H new ATOM 0 HA ALA A 13 5.979 2.401 -4.613 1.00 10.53 H new ATOM 0 HB1 ALA A 13 5.792 2.821 -7.043 1.00 51.44 H new ATOM 0 HB2 ALA A 13 5.523 4.302 -6.094 1.00 51.44 H new ATOM 0 HB3 ALA A 13 7.077 4.046 -6.922 1.00 51.44 H new ATOM 187 N ASP A 14 9.050 2.131 -5.706 1.00 3.20 N ATOM 188 CA ASP A 14 10.084 1.175 -6.083 1.00 25.41 C ATOM 189 C ASP A 14 10.218 0.078 -5.031 1.00 24.35 C ATOM 190 O ASP A 14 10.540 -1.066 -5.350 1.00 75.20 O ATOM 191 CB ASP A 14 11.424 1.886 -6.269 1.00 43.05 C ATOM 192 CG ASP A 14 12.401 1.073 -7.097 1.00 45.41 C ATOM 193 OD1 ASP A 14 12.978 0.108 -6.554 1.00 42.13 O ATOM 194 OD2 ASP A 14 12.589 1.403 -8.287 1.00 3.00 O ATOM 0 H ASP A 14 9.385 3.086 -5.581 1.00 3.20 H new ATOM 0 HA ASP A 14 9.792 0.716 -7.027 1.00 25.41 H new ATOM 0 HB2 ASP A 14 11.257 2.849 -6.751 1.00 43.05 H new ATOM 0 HB3 ASP A 14 11.862 2.090 -5.292 1.00 43.05 H new ATOM 199 N GLU A 15 9.972 0.437 -3.774 1.00 34.01 N ATOM 200 CA GLU A 15 10.068 -0.517 -2.675 1.00 51.33 C ATOM 201 C GLU A 15 8.756 -1.275 -2.497 1.00 54.34 C ATOM 202 O GLU A 15 8.751 -2.457 -2.152 1.00 22.12 O ATOM 203 CB GLU A 15 10.433 0.204 -1.376 1.00 63.13 C ATOM 204 CG GLU A 15 11.736 -0.276 -0.760 1.00 4.22 C ATOM 205 CD GLU A 15 11.730 -1.764 -0.465 1.00 14.45 C ATOM 206 OE1 GLU A 15 10.932 -2.195 0.393 1.00 1.03 O ATOM 207 OE2 GLU A 15 12.522 -2.495 -1.093 1.00 72.52 O ATOM 0 H GLU A 15 9.705 1.380 -3.492 1.00 34.01 H new ATOM 0 HA GLU A 15 10.852 -1.234 -2.917 1.00 51.33 H new ATOM 0 HB2 GLU A 15 10.506 1.274 -1.572 1.00 63.13 H new ATOM 0 HB3 GLU A 15 9.627 0.066 -0.655 1.00 63.13 H new ATOM 0 HG2 GLU A 15 12.559 -0.047 -1.437 1.00 4.22 H new ATOM 0 HG3 GLU A 15 11.921 0.273 0.164 1.00 4.22 H new ATOM 214 N LEU A 16 7.644 -0.587 -2.734 1.00 65.34 N ATOM 215 CA LEU A 16 6.325 -1.195 -2.600 1.00 52.13 C ATOM 216 C LEU A 16 6.085 -2.223 -3.700 1.00 15.40 C ATOM 217 O LEU A 16 5.592 -3.320 -3.440 1.00 34.12 O ATOM 218 CB LEU A 16 5.239 -0.118 -2.646 1.00 50.24 C ATOM 219 CG LEU A 16 3.806 -0.601 -2.425 1.00 12.31 C ATOM 220 CD1 LEU A 16 3.220 -1.144 -3.720 1.00 22.11 C ATOM 221 CD2 LEU A 16 3.762 -1.659 -1.332 1.00 53.31 C ATOM 0 H LEU A 16 7.630 0.392 -3.020 1.00 65.34 H new ATOM 0 HA LEU A 16 6.283 -1.705 -1.637 1.00 52.13 H new ATOM 0 HB2 LEU A 16 5.468 0.634 -1.891 1.00 50.24 H new ATOM 0 HB3 LEU A 16 5.289 0.379 -3.615 1.00 50.24 H new ATOM 0 HG LEU A 16 3.202 0.248 -2.105 1.00 12.31 H new ATOM 0 HD11 LEU A 16 2.199 -1.483 -3.543 1.00 22.11 H new ATOM 0 HD12 LEU A 16 3.216 -0.358 -4.475 1.00 22.11 H new ATOM 0 HD13 LEU A 16 3.825 -1.980 -4.070 1.00 22.11 H new ATOM 0 HD21 LEU A 16 2.734 -1.991 -1.188 1.00 53.31 H new ATOM 0 HD22 LEU A 16 4.380 -2.508 -1.623 1.00 53.31 H new ATOM 0 HD23 LEU A 16 4.140 -1.236 -0.401 1.00 53.31 H new ATOM 233 N GLU A 17 6.438 -1.861 -4.930 1.00 0.32 N ATOM 234 CA GLU A 17 6.261 -2.754 -6.069 1.00 32.00 C ATOM 235 C GLU A 17 7.337 -3.836 -6.084 1.00 2.30 C ATOM 236 O GLU A 17 7.290 -4.761 -6.895 1.00 4.21 O ATOM 237 CB GLU A 17 6.301 -1.961 -7.377 1.00 31.12 C ATOM 238 CG GLU A 17 5.150 -0.981 -7.530 1.00 5.12 C ATOM 239 CD GLU A 17 5.342 -0.034 -8.698 1.00 42.31 C ATOM 240 OE1 GLU A 17 6.506 0.205 -9.082 1.00 42.45 O ATOM 241 OE2 GLU A 17 4.328 0.469 -9.228 1.00 24.32 O ATOM 0 H GLU A 17 6.848 -0.956 -5.163 1.00 0.32 H new ATOM 0 HA GLU A 17 5.288 -3.235 -5.974 1.00 32.00 H new ATOM 0 HB2 GLU A 17 7.242 -1.414 -7.432 1.00 31.12 H new ATOM 0 HB3 GLU A 17 6.288 -2.658 -8.215 1.00 31.12 H new ATOM 0 HG2 GLU A 17 4.221 -1.535 -7.665 1.00 5.12 H new ATOM 0 HG3 GLU A 17 5.045 -0.403 -6.612 1.00 5.12 H new ATOM 248 N ARG A 18 8.306 -3.711 -5.182 1.00 72.31 N ATOM 249 CA ARG A 18 9.395 -4.676 -5.093 1.00 22.33 C ATOM 250 C ARG A 18 8.999 -5.862 -4.218 1.00 23.31 C ATOM 251 O ARG A 18 9.234 -7.017 -4.578 1.00 11.12 O ATOM 252 CB ARG A 18 10.650 -4.010 -4.529 1.00 44.23 C ATOM 253 CG ARG A 18 11.760 -4.991 -4.187 1.00 34.53 C ATOM 254 CD ARG A 18 13.127 -4.329 -4.243 1.00 44.41 C ATOM 255 NE ARG A 18 14.118 -5.173 -4.904 1.00 61.10 N ATOM 256 CZ ARG A 18 15.313 -4.740 -5.290 1.00 11.10 C ATOM 257 NH1 ARG A 18 15.664 -3.478 -5.083 1.00 14.45 N ATOM 258 NH2 ARG A 18 16.160 -5.569 -5.885 1.00 42.03 N ATOM 0 H ARG A 18 8.359 -2.951 -4.503 1.00 72.31 H new ATOM 0 HA ARG A 18 9.607 -5.041 -6.098 1.00 22.33 H new ATOM 0 HB2 ARG A 18 11.025 -3.289 -5.255 1.00 44.23 H new ATOM 0 HB3 ARG A 18 10.382 -3.451 -3.633 1.00 44.23 H new ATOM 0 HG2 ARG A 18 11.593 -5.398 -3.190 1.00 34.53 H new ATOM 0 HG3 ARG A 18 11.732 -5.830 -4.882 1.00 34.53 H new ATOM 0 HD2 ARG A 18 13.048 -3.380 -4.773 1.00 44.41 H new ATOM 0 HD3 ARG A 18 13.462 -4.102 -3.231 1.00 44.41 H new ATOM 0 HE ARG A 18 13.880 -6.149 -5.079 1.00 61.10 H new ATOM 0 HH11 ARG A 18 15.016 -2.837 -4.626 1.00 14.45 H new ATOM 0 HH12 ARG A 18 16.582 -3.149 -5.381 1.00 14.45 H new ATOM 0 HH21 ARG A 18 15.894 -6.540 -6.047 1.00 42.03 H new ATOM 0 HH22 ARG A 18 17.077 -5.235 -6.181 1.00 42.03 H new ATOM 272 N ILE A 19 8.399 -5.570 -3.070 1.00 1.42 N ATOM 273 CA ILE A 19 7.972 -6.611 -2.144 1.00 74.33 C ATOM 274 C ILE A 19 7.129 -7.666 -2.855 1.00 64.14 C ATOM 275 O ILE A 19 6.177 -7.341 -3.563 1.00 61.10 O ATOM 276 CB ILE A 19 7.159 -6.027 -0.974 1.00 53.30 C ATOM 277 CG1 ILE A 19 7.992 -4.994 -0.212 1.00 11.31 C ATOM 278 CG2 ILE A 19 6.699 -7.137 -0.042 1.00 15.43 C ATOM 279 CD1 ILE A 19 7.219 -3.748 0.158 1.00 53.43 C ATOM 0 H ILE A 19 8.197 -4.620 -2.758 1.00 1.42 H new ATOM 0 HA ILE A 19 8.877 -7.074 -1.751 1.00 74.33 H new ATOM 0 HB ILE A 19 6.277 -5.529 -1.376 1.00 53.30 H new ATOM 0 HG12 ILE A 19 8.382 -5.453 0.697 1.00 11.31 H new ATOM 0 HG13 ILE A 19 8.851 -4.711 -0.821 1.00 11.31 H new ATOM 0 HG21 ILE A 19 6.126 -6.708 0.780 1.00 15.43 H new ATOM 0 HG22 ILE A 19 6.073 -7.839 -0.593 1.00 15.43 H new ATOM 0 HG23 ILE A 19 7.568 -7.661 0.356 1.00 15.43 H new ATOM 0 HD11 ILE A 19 7.872 -3.061 0.696 1.00 53.43 H new ATOM 0 HD12 ILE A 19 6.851 -3.266 -0.748 1.00 53.43 H new ATOM 0 HD13 ILE A 19 6.375 -4.018 0.793 1.00 53.43 H new ATOM 291 N ARG A 20 7.487 -8.931 -2.661 1.00 4.44 N ATOM 292 CA ARG A 20 6.766 -10.034 -3.283 1.00 0.10 C ATOM 293 C ARG A 20 5.624 -10.509 -2.388 1.00 63.13 C ATOM 294 O ARG A 20 5.812 -10.736 -1.193 1.00 33.41 O ATOM 295 CB ARG A 20 7.717 -11.196 -3.573 1.00 23.21 C ATOM 296 CG ARG A 20 8.729 -10.896 -4.667 1.00 51.34 C ATOM 297 CD ARG A 20 8.887 -12.072 -5.618 1.00 1.43 C ATOM 298 NE ARG A 20 10.285 -12.305 -5.973 1.00 32.04 N ATOM 299 CZ ARG A 20 11.189 -12.782 -5.124 1.00 42.15 C ATOM 300 NH1 ARG A 20 10.844 -13.077 -3.878 1.00 15.21 N ATOM 301 NH2 ARG A 20 12.441 -12.967 -5.522 1.00 23.02 N ATOM 0 H ARG A 20 8.273 -9.217 -2.077 1.00 4.44 H new ATOM 0 HA ARG A 20 6.345 -9.676 -4.223 1.00 0.10 H new ATOM 0 HB2 ARG A 20 8.250 -11.455 -2.658 1.00 23.21 H new ATOM 0 HB3 ARG A 20 7.132 -12.070 -3.860 1.00 23.21 H new ATOM 0 HG2 ARG A 20 8.412 -10.015 -5.225 1.00 51.34 H new ATOM 0 HG3 ARG A 20 9.693 -10.658 -4.217 1.00 51.34 H new ATOM 0 HD2 ARG A 20 8.476 -12.970 -5.156 1.00 1.43 H new ATOM 0 HD3 ARG A 20 8.309 -11.886 -6.523 1.00 1.43 H new ATOM 0 HE ARG A 20 10.583 -12.090 -6.924 1.00 32.04 H new ATOM 0 HH11 ARG A 20 9.882 -12.938 -3.569 1.00 15.21 H new ATOM 0 HH12 ARG A 20 11.541 -13.443 -3.229 1.00 15.21 H new ATOM 0 HH21 ARG A 20 12.710 -12.743 -6.480 1.00 23.02 H new ATOM 0 HH22 ARG A 20 13.135 -13.333 -4.870 1.00 23.02 H new ATOM 315 N LEU A 21 4.442 -10.657 -2.976 1.00 62.01 N ATOM 316 CA LEU A 21 3.269 -11.105 -2.233 1.00 12.35 C ATOM 317 C LEU A 21 3.535 -12.443 -1.551 1.00 14.03 C ATOM 318 O LEU A 21 2.984 -12.728 -0.487 1.00 62.32 O ATOM 319 CB LEU A 21 2.065 -11.226 -3.168 1.00 32.34 C ATOM 320 CG LEU A 21 1.354 -9.919 -3.520 1.00 40.05 C ATOM 321 CD1 LEU A 21 0.495 -10.097 -4.764 1.00 64.21 C ATOM 322 CD2 LEU A 21 0.508 -9.439 -2.350 1.00 52.44 C ATOM 0 H LEU A 21 4.270 -10.473 -3.965 1.00 62.01 H new ATOM 0 HA LEU A 21 3.051 -10.364 -1.464 1.00 12.35 H new ATOM 0 HB2 LEU A 21 2.395 -11.697 -4.094 1.00 32.34 H new ATOM 0 HB3 LEU A 21 1.340 -11.898 -2.709 1.00 32.34 H new ATOM 0 HG LEU A 21 2.110 -9.162 -3.730 1.00 40.05 H new ATOM 0 HD11 LEU A 21 -0.003 -9.157 -5.000 1.00 64.21 H new ATOM 0 HD12 LEU A 21 1.126 -10.393 -5.602 1.00 64.21 H new ATOM 0 HD13 LEU A 21 -0.253 -10.869 -4.582 1.00 64.21 H new ATOM 0 HD21 LEU A 21 0.010 -8.508 -2.619 1.00 52.44 H new ATOM 0 HD22 LEU A 21 -0.240 -10.194 -2.108 1.00 52.44 H new ATOM 0 HD23 LEU A 21 1.147 -9.271 -1.483 1.00 52.44 H new ATOM 334 N ARG A 22 4.382 -13.258 -2.169 1.00 5.04 N ATOM 335 CA ARG A 22 4.722 -14.566 -1.621 1.00 2.33 C ATOM 336 C ARG A 22 6.236 -14.742 -1.534 1.00 21.14 C ATOM 337 O ARG A 22 7.005 -14.050 -2.200 1.00 0.44 O ATOM 338 CB ARG A 22 4.117 -15.676 -2.482 1.00 34.04 C ATOM 339 CG ARG A 22 2.747 -16.134 -2.009 1.00 11.11 C ATOM 340 CD ARG A 22 2.320 -17.420 -2.699 1.00 43.34 C ATOM 341 NE ARG A 22 1.033 -17.279 -3.374 1.00 3.24 N ATOM 342 CZ ARG A 22 -0.133 -17.273 -2.738 1.00 11.24 C ATOM 343 NH1 ARG A 22 -0.173 -17.399 -1.418 1.00 50.03 N ATOM 344 NH2 ARG A 22 -1.263 -17.139 -3.420 1.00 62.24 N ATOM 0 H ARG A 22 4.846 -13.036 -3.050 1.00 5.04 H new ATOM 0 HA ARG A 22 4.308 -14.630 -0.615 1.00 2.33 H new ATOM 0 HB2 ARG A 22 4.038 -15.324 -3.511 1.00 34.04 H new ATOM 0 HB3 ARG A 22 4.794 -16.530 -2.488 1.00 34.04 H new ATOM 0 HG2 ARG A 22 2.766 -16.288 -0.930 1.00 11.11 H new ATOM 0 HG3 ARG A 22 2.013 -15.353 -2.207 1.00 11.11 H new ATOM 0 HD2 ARG A 22 3.080 -17.711 -3.425 1.00 43.34 H new ATOM 0 HD3 ARG A 22 2.257 -18.222 -1.964 1.00 43.34 H new ATOM 0 HE ARG A 22 1.029 -17.180 -4.389 1.00 3.24 H new ATOM 0 HH11 ARG A 22 0.693 -17.501 -0.889 1.00 50.03 H new ATOM 0 HH12 ARG A 22 -1.070 -17.394 -0.932 1.00 50.03 H new ATOM 0 HH21 ARG A 22 -1.238 -17.040 -4.435 1.00 62.24 H new ATOM 0 HH22 ARG A 22 -2.157 -17.135 -2.929 1.00 62.24 H new ATOM 358 N PRO A 23 6.674 -15.692 -0.694 1.00 35.52 N ATOM 359 CA PRO A 23 8.097 -15.982 -0.500 1.00 61.51 C ATOM 360 C PRO A 23 8.727 -16.637 -1.725 1.00 2.13 C ATOM 361 O PRO A 23 9.903 -16.424 -2.018 1.00 61.21 O ATOM 362 CB PRO A 23 8.104 -16.949 0.686 1.00 12.52 C ATOM 363 CG PRO A 23 6.763 -17.597 0.655 1.00 52.12 C ATOM 364 CD PRO A 23 5.812 -16.556 0.131 1.00 24.20 C ATOM 0 HA PRO A 23 8.678 -15.075 -0.331 1.00 61.51 H new ATOM 0 HB2 PRO A 23 8.902 -17.686 0.591 1.00 12.52 H new ATOM 0 HB3 PRO A 23 8.267 -16.422 1.626 1.00 12.52 H new ATOM 0 HG2 PRO A 23 6.770 -18.478 0.013 1.00 52.12 H new ATOM 0 HG3 PRO A 23 6.467 -17.930 1.650 1.00 52.12 H new ATOM 0 HD2 PRO A 23 5.011 -17.003 -0.457 1.00 24.20 H new ATOM 0 HD3 PRO A 23 5.341 -15.998 0.940 1.00 24.20 H new ATOM 372 N GLY A 24 7.937 -17.435 -2.437 1.00 15.25 N ATOM 373 CA GLY A 24 8.435 -18.108 -3.621 1.00 2.41 C ATOM 374 C GLY A 24 7.868 -17.526 -4.901 1.00 44.43 C ATOM 375 O GLY A 24 8.555 -17.463 -5.920 1.00 64.54 O ATOM 0 H GLY A 24 6.960 -17.627 -2.214 1.00 15.25 H new ATOM 0 HA2 GLY A 24 9.523 -18.038 -3.644 1.00 2.41 H new ATOM 0 HA3 GLY A 24 8.185 -19.167 -3.565 1.00 2.41 H new ATOM 379 N GLY A 25 6.611 -17.097 -4.849 1.00 33.15 N ATOM 380 CA GLY A 25 5.973 -16.524 -6.019 1.00 52.24 C ATOM 381 C GLY A 25 6.762 -15.368 -6.601 1.00 55.32 C ATOM 382 O GLY A 25 7.799 -14.981 -6.063 1.00 43.51 O ATOM 0 H GLY A 25 6.023 -17.136 -4.017 1.00 33.15 H new ATOM 0 HA2 GLY A 25 5.852 -17.297 -6.778 1.00 52.24 H new ATOM 0 HA3 GLY A 25 4.974 -16.180 -5.752 1.00 52.24 H new ATOM 386 N LYS A 26 6.270 -14.814 -7.704 1.00 53.33 N ATOM 387 CA LYS A 26 6.933 -13.694 -8.360 1.00 64.44 C ATOM 388 C LYS A 26 5.993 -12.499 -8.484 1.00 24.23 C ATOM 389 O LYS A 26 6.248 -11.572 -9.252 1.00 1.31 O ATOM 390 CB LYS A 26 7.429 -14.111 -9.748 1.00 1.23 C ATOM 391 CG LYS A 26 8.707 -14.931 -9.716 1.00 25.34 C ATOM 392 CD LYS A 26 9.220 -15.220 -11.116 1.00 73.52 C ATOM 393 CE LYS A 26 10.739 -15.177 -11.174 1.00 73.33 C ATOM 394 NZ LYS A 26 11.290 -16.227 -12.076 1.00 12.03 N ATOM 0 H LYS A 26 5.413 -15.123 -8.163 1.00 53.33 H new ATOM 0 HA LYS A 26 7.785 -13.401 -7.747 1.00 64.44 H new ATOM 0 HB2 LYS A 26 6.649 -14.688 -10.245 1.00 1.23 H new ATOM 0 HB3 LYS A 26 7.596 -13.217 -10.349 1.00 1.23 H new ATOM 0 HG2 LYS A 26 9.470 -14.395 -9.152 1.00 25.34 H new ATOM 0 HG3 LYS A 26 8.525 -15.870 -9.193 1.00 25.34 H new ATOM 0 HD2 LYS A 26 8.870 -16.201 -11.437 1.00 73.52 H new ATOM 0 HD3 LYS A 26 8.808 -14.491 -11.813 1.00 73.52 H new ATOM 0 HE2 LYS A 26 11.062 -14.195 -11.520 1.00 73.33 H new ATOM 0 HE3 LYS A 26 11.145 -15.310 -10.171 1.00 73.33 H new ATOM 0 HZ1 LYS A 26 12.328 -16.164 -12.088 1.00 12.03 H new ATOM 0 HZ2 LYS A 26 11.004 -17.166 -11.732 1.00 12.03 H new ATOM 0 HZ3 LYS A 26 10.923 -16.085 -13.039 1.00 12.03 H new ATOM 408 N LYS A 27 4.907 -12.528 -7.720 1.00 14.43 N ATOM 409 CA LYS A 27 3.928 -11.446 -7.741 1.00 2.23 C ATOM 410 C LYS A 27 4.293 -10.364 -6.729 1.00 1.43 C ATOM 411 O LYS A 27 4.888 -10.647 -5.689 1.00 32.12 O ATOM 412 CB LYS A 27 2.530 -11.989 -7.441 1.00 2.34 C ATOM 413 CG LYS A 27 1.979 -12.888 -8.535 1.00 52.20 C ATOM 414 CD LYS A 27 0.571 -13.360 -8.213 1.00 1.33 C ATOM 415 CE LYS A 27 0.200 -14.594 -9.019 1.00 74.51 C ATOM 416 NZ LYS A 27 -0.579 -15.573 -8.210 1.00 41.13 N ATOM 0 H LYS A 27 4.682 -13.288 -7.078 1.00 14.43 H new ATOM 0 HA LYS A 27 3.933 -11.004 -8.737 1.00 2.23 H new ATOM 0 HB2 LYS A 27 2.559 -12.546 -6.505 1.00 2.34 H new ATOM 0 HB3 LYS A 27 1.848 -11.152 -7.293 1.00 2.34 H new ATOM 0 HG2 LYS A 27 1.975 -12.349 -9.482 1.00 52.20 H new ATOM 0 HG3 LYS A 27 2.633 -13.751 -8.662 1.00 52.20 H new ATOM 0 HD2 LYS A 27 0.495 -13.583 -7.149 1.00 1.33 H new ATOM 0 HD3 LYS A 27 -0.139 -12.560 -8.423 1.00 1.33 H new ATOM 0 HE2 LYS A 27 -0.384 -14.297 -9.890 1.00 74.51 H new ATOM 0 HE3 LYS A 27 1.107 -15.071 -9.391 1.00 74.51 H new ATOM 0 HZ1 LYS A 27 -0.812 -16.400 -8.796 1.00 41.13 H new ATOM 0 HZ2 LYS A 27 -0.012 -15.877 -7.393 1.00 41.13 H new ATOM 0 HZ3 LYS A 27 -1.457 -15.127 -7.876 1.00 41.13 H new ATOM 430 N LYS A 28 3.931 -9.124 -7.038 1.00 74.20 N ATOM 431 CA LYS A 28 4.216 -7.999 -6.156 1.00 4.14 C ATOM 432 C LYS A 28 2.930 -7.286 -5.750 1.00 10.11 C ATOM 433 O LYS A 28 1.867 -7.530 -6.320 1.00 75.12 O ATOM 434 CB LYS A 28 5.164 -7.013 -6.842 1.00 0.22 C ATOM 435 CG LYS A 28 6.566 -7.560 -7.046 1.00 65.43 C ATOM 436 CD LYS A 28 7.056 -7.321 -8.464 1.00 65.32 C ATOM 437 CE LYS A 28 7.035 -8.603 -9.284 1.00 41.44 C ATOM 438 NZ LYS A 28 6.488 -8.379 -10.651 1.00 14.13 N ATOM 0 H LYS A 28 3.438 -8.872 -7.895 1.00 74.20 H new ATOM 0 HA LYS A 28 4.695 -8.387 -5.257 1.00 4.14 H new ATOM 0 HB2 LYS A 28 4.747 -6.735 -7.810 1.00 0.22 H new ATOM 0 HB3 LYS A 28 5.221 -6.102 -6.246 1.00 0.22 H new ATOM 0 HG2 LYS A 28 7.248 -7.087 -6.340 1.00 65.43 H new ATOM 0 HG3 LYS A 28 6.575 -8.629 -6.832 1.00 65.43 H new ATOM 0 HD2 LYS A 28 6.430 -6.570 -8.945 1.00 65.32 H new ATOM 0 HD3 LYS A 28 8.070 -6.921 -8.437 1.00 65.32 H new ATOM 0 HE2 LYS A 28 8.046 -9.003 -9.359 1.00 41.44 H new ATOM 0 HE3 LYS A 28 6.433 -9.353 -8.770 1.00 41.44 H new ATOM 0 HZ1 LYS A 28 6.491 -9.276 -11.177 1.00 14.13 H new ATOM 0 HZ2 LYS A 28 5.514 -8.022 -10.581 1.00 14.13 H new ATOM 0 HZ3 LYS A 28 7.077 -7.683 -11.151 1.00 14.13 H new ATOM 452 N TYR A 29 3.036 -6.403 -4.763 1.00 55.41 N ATOM 453 CA TYR A 29 1.881 -5.655 -4.281 1.00 13.24 C ATOM 454 C TYR A 29 1.438 -4.615 -5.306 1.00 74.32 C ATOM 455 O TYR A 29 2.261 -4.038 -6.016 1.00 74.24 O ATOM 456 CB TYR A 29 2.209 -4.969 -2.953 1.00 34.50 C ATOM 457 CG TYR A 29 1.939 -5.835 -1.742 1.00 3.22 C ATOM 458 CD1 TYR A 29 0.651 -5.982 -1.242 1.00 25.55 C ATOM 459 CD2 TYR A 29 2.973 -6.504 -1.099 1.00 20.42 C ATOM 460 CE1 TYR A 29 0.402 -6.772 -0.136 1.00 12.13 C ATOM 461 CE2 TYR A 29 2.732 -7.297 0.007 1.00 73.23 C ATOM 462 CZ TYR A 29 1.445 -7.427 0.484 1.00 11.04 C ATOM 463 OH TYR A 29 1.200 -8.214 1.587 1.00 62.10 O ATOM 0 H TYR A 29 3.909 -6.188 -4.282 1.00 55.41 H new ATOM 0 HA TYR A 29 1.063 -6.359 -4.127 1.00 13.24 H new ATOM 0 HB2 TYR A 29 3.259 -4.677 -2.954 1.00 34.50 H new ATOM 0 HB3 TYR A 29 1.624 -4.053 -2.872 1.00 34.50 H new ATOM 0 HD1 TYR A 29 -0.168 -5.471 -1.725 1.00 25.55 H new ATOM 0 HD2 TYR A 29 3.982 -6.403 -1.470 1.00 20.42 H new ATOM 0 HE1 TYR A 29 -0.605 -6.876 0.241 1.00 12.13 H new ATOM 0 HE2 TYR A 29 3.547 -7.812 0.495 1.00 73.23 H new ATOM 0 HH TYR A 29 0.297 -8.589 1.527 1.00 62.10 H new ATOM 473 N ARG A 30 0.131 -4.382 -5.376 1.00 11.24 N ATOM 474 CA ARG A 30 -0.423 -3.413 -6.314 1.00 22.04 C ATOM 475 C ARG A 30 -1.587 -2.652 -5.686 1.00 73.53 C ATOM 476 O ARG A 30 -2.154 -3.084 -4.681 1.00 34.03 O ATOM 477 CB ARG A 30 -0.887 -4.116 -7.591 1.00 15.13 C ATOM 478 CG ARG A 30 -0.243 -3.570 -8.855 1.00 0.13 C ATOM 479 CD ARG A 30 -0.680 -4.351 -10.084 1.00 62.23 C ATOM 480 NE ARG A 30 0.226 -4.148 -11.211 1.00 73.44 N ATOM 481 CZ ARG A 30 0.106 -4.781 -12.373 1.00 53.24 C ATOM 482 NH1 ARG A 30 -0.877 -5.652 -12.561 1.00 12.44 N ATOM 483 NH2 ARG A 30 0.970 -4.542 -13.352 1.00 74.44 N ATOM 0 H ARG A 30 -0.564 -4.851 -4.794 1.00 11.24 H new ATOM 0 HA ARG A 30 0.361 -2.699 -6.565 1.00 22.04 H new ATOM 0 HB2 ARG A 30 -0.665 -5.180 -7.511 1.00 15.13 H new ATOM 0 HB3 ARG A 30 -1.970 -4.021 -7.675 1.00 15.13 H new ATOM 0 HG2 ARG A 30 -0.509 -2.520 -8.976 1.00 0.13 H new ATOM 0 HG3 ARG A 30 0.842 -3.615 -8.761 1.00 0.13 H new ATOM 0 HD2 ARG A 30 -0.725 -5.413 -9.842 1.00 62.23 H new ATOM 0 HD3 ARG A 30 -1.687 -4.046 -10.369 1.00 62.23 H new ATOM 0 HE ARG A 30 0.993 -3.484 -11.100 1.00 73.44 H new ATOM 0 HH11 ARG A 30 -1.544 -5.838 -11.812 1.00 12.44 H new ATOM 0 HH12 ARG A 30 -0.966 -6.136 -13.455 1.00 12.44 H new ATOM 0 HH21 ARG A 30 1.726 -3.872 -13.212 1.00 74.44 H new ATOM 0 HH22 ARG A 30 0.877 -5.028 -14.244 1.00 74.44 H new ATOM 497 N LEU A 31 -1.939 -1.520 -6.284 1.00 23.22 N ATOM 498 CA LEU A 31 -3.035 -0.699 -5.783 1.00 52.24 C ATOM 499 C LEU A 31 -4.272 -1.550 -5.509 1.00 43.12 C ATOM 500 O LEU A 31 -5.035 -1.276 -4.583 1.00 3.04 O ATOM 501 CB LEU A 31 -3.373 0.403 -6.789 1.00 75.12 C ATOM 502 CG LEU A 31 -2.266 1.420 -7.068 1.00 53.13 C ATOM 503 CD1 LEU A 31 -2.320 1.883 -8.516 1.00 44.11 C ATOM 504 CD2 LEU A 31 -2.382 2.606 -6.122 1.00 4.21 C ATOM 0 H LEU A 31 -1.481 -1.149 -7.117 1.00 23.22 H new ATOM 0 HA LEU A 31 -2.716 -0.242 -4.846 1.00 52.24 H new ATOM 0 HB2 LEU A 31 -3.653 -0.067 -7.732 1.00 75.12 H new ATOM 0 HB3 LEU A 31 -4.250 0.940 -6.428 1.00 75.12 H new ATOM 0 HG LEU A 31 -1.303 0.938 -6.898 1.00 53.13 H new ATOM 0 HD11 LEU A 31 -1.525 2.606 -8.697 1.00 44.11 H new ATOM 0 HD12 LEU A 31 -2.188 1.026 -9.177 1.00 44.11 H new ATOM 0 HD13 LEU A 31 -3.286 2.348 -8.713 1.00 44.11 H new ATOM 0 HD21 LEU A 31 -1.586 3.320 -6.334 1.00 4.21 H new ATOM 0 HD22 LEU A 31 -3.349 3.089 -6.261 1.00 4.21 H new ATOM 0 HD23 LEU A 31 -2.293 2.260 -5.092 1.00 4.21 H new ATOM 516 N LYS A 32 -4.463 -2.584 -6.321 1.00 60.20 N ATOM 517 CA LYS A 32 -5.604 -3.479 -6.165 1.00 53.21 C ATOM 518 C LYS A 32 -5.694 -4.000 -4.735 1.00 32.45 C ATOM 519 O LYS A 32 -6.779 -4.067 -4.155 1.00 13.33 O ATOM 520 CB LYS A 32 -5.495 -4.652 -7.141 1.00 74.24 C ATOM 521 CG LYS A 32 -6.389 -4.512 -8.362 1.00 24.14 C ATOM 522 CD LYS A 32 -6.397 -5.783 -9.195 1.00 51.30 C ATOM 523 CE LYS A 32 -7.132 -5.581 -10.511 1.00 42.31 C ATOM 524 NZ LYS A 32 -6.212 -5.146 -11.598 1.00 42.23 N ATOM 0 H LYS A 32 -3.842 -2.823 -7.094 1.00 60.20 H new ATOM 0 HA LYS A 32 -6.510 -2.915 -6.385 1.00 53.21 H new ATOM 0 HB2 LYS A 32 -4.460 -4.747 -7.468 1.00 74.24 H new ATOM 0 HB3 LYS A 32 -5.750 -5.574 -6.618 1.00 74.24 H new ATOM 0 HG2 LYS A 32 -7.405 -4.277 -8.045 1.00 24.14 H new ATOM 0 HG3 LYS A 32 -6.044 -3.678 -8.973 1.00 24.14 H new ATOM 0 HD2 LYS A 32 -5.372 -6.096 -9.394 1.00 51.30 H new ATOM 0 HD3 LYS A 32 -6.872 -6.586 -8.631 1.00 51.30 H new ATOM 0 HE2 LYS A 32 -7.622 -6.511 -10.800 1.00 42.31 H new ATOM 0 HE3 LYS A 32 -7.916 -4.835 -10.379 1.00 42.31 H new ATOM 0 HZ1 LYS A 32 -6.751 -5.019 -12.479 1.00 42.23 H new ATOM 0 HZ2 LYS A 32 -5.763 -4.246 -11.334 1.00 42.23 H new ATOM 0 HZ3 LYS A 32 -5.478 -5.869 -11.742 1.00 42.23 H new ATOM 538 N HIS A 33 -4.548 -4.369 -4.170 1.00 35.11 N ATOM 539 CA HIS A 33 -4.499 -4.884 -2.805 1.00 43.43 C ATOM 540 C HIS A 33 -4.792 -3.776 -1.797 1.00 32.12 C ATOM 541 O HIS A 33 -5.328 -4.104 -0.737 1.00 62.12 O ATOM 542 CB HIS A 33 -3.127 -5.498 -2.519 1.00 12.22 C ATOM 543 CG HIS A 33 -2.741 -6.574 -3.486 1.00 25.21 C ATOM 544 ND1 HIS A 33 -1.723 -6.428 -4.406 1.00 23.43 N ATOM 545 CD2 HIS A 33 -3.239 -7.817 -3.674 1.00 20.53 C ATOM 546 CE1 HIS A 33 -1.615 -7.537 -5.117 1.00 3.45 C ATOM 547 NE2 HIS A 33 -2.523 -8.396 -4.692 1.00 31.13 N ATOM 0 H HIS A 33 -3.642 -4.321 -4.636 1.00 35.11 H new ATOM 0 HA HIS A 33 -5.263 -5.655 -2.705 1.00 43.43 H new ATOM 0 HB2 HIS A 33 -2.373 -4.711 -2.544 1.00 12.22 H new ATOM 0 HB3 HIS A 33 -3.125 -5.910 -1.510 1.00 12.22 H new ATOM 0 HD2 HIS A 33 -4.051 -8.271 -3.124 1.00 20.53 H new ATOM 0 HE1 HIS A 33 -0.904 -7.711 -5.911 1.00 3.45 H new ATOM 0 HE2 HIS A 33 -2.669 -9.336 -5.060 1.00 31.13 H new ATOM 555 N ILE A 34 -4.470 -2.521 -2.087 1.00 10.40 N ATOM 556 CA ILE A 34 -4.733 -1.430 -1.156 1.00 3.54 C ATOM 557 C ILE A 34 -6.222 -1.114 -1.087 1.00 12.53 C ATOM 558 O ILE A 34 -6.758 -0.822 -0.017 1.00 23.13 O ATOM 559 CB ILE A 34 -3.966 -0.154 -1.552 1.00 71.21 C ATOM 560 CG1 ILE A 34 -2.516 -0.493 -1.906 1.00 35.10 C ATOM 561 CG2 ILE A 34 -4.016 0.866 -0.424 1.00 34.50 C ATOM 562 CD1 ILE A 34 -1.687 0.715 -2.280 1.00 60.22 C ATOM 0 H ILE A 34 -4.026 -2.233 -2.959 1.00 10.40 H new ATOM 0 HA ILE A 34 -4.389 -1.761 -0.176 1.00 3.54 H new ATOM 0 HB ILE A 34 -4.443 0.281 -2.430 1.00 71.21 H new ATOM 0 HG12 ILE A 34 -2.051 -0.994 -1.057 1.00 35.10 H new ATOM 0 HG13 ILE A 34 -2.509 -1.200 -2.736 1.00 35.10 H new ATOM 0 HG21 ILE A 34 -3.470 1.762 -0.719 1.00 34.50 H new ATOM 0 HG22 ILE A 34 -5.054 1.126 -0.215 1.00 34.50 H new ATOM 0 HG23 ILE A 34 -3.561 0.442 0.471 1.00 34.50 H new ATOM 0 HD11 ILE A 34 -0.671 0.400 -2.518 1.00 60.22 H new ATOM 0 HD12 ILE A 34 -2.128 1.204 -3.148 1.00 60.22 H new ATOM 0 HD13 ILE A 34 -1.663 1.413 -1.443 1.00 60.22 H new ATOM 574 N VAL A 35 -6.889 -1.174 -2.236 1.00 14.14 N ATOM 575 CA VAL A 35 -8.319 -0.896 -2.306 1.00 64.31 C ATOM 576 C VAL A 35 -9.112 -1.887 -1.461 1.00 51.23 C ATOM 577 O VAL A 35 -9.949 -1.493 -0.648 1.00 34.31 O ATOM 578 CB VAL A 35 -8.831 -0.951 -3.758 1.00 3.32 C ATOM 579 CG1 VAL A 35 -10.334 -0.723 -3.803 1.00 2.44 C ATOM 580 CG2 VAL A 35 -8.101 0.070 -4.617 1.00 53.23 C ATOM 0 H VAL A 35 -6.462 -1.413 -3.131 1.00 14.14 H new ATOM 0 HA VAL A 35 -8.466 0.111 -1.915 1.00 64.31 H new ATOM 0 HB VAL A 35 -8.627 -1.943 -4.161 1.00 3.32 H new ATOM 0 HG11 VAL A 35 -10.678 -0.765 -4.837 1.00 2.44 H new ATOM 0 HG12 VAL A 35 -10.837 -1.496 -3.221 1.00 2.44 H new ATOM 0 HG13 VAL A 35 -10.566 0.256 -3.383 1.00 2.44 H new ATOM 0 HG21 VAL A 35 -8.474 0.018 -5.640 1.00 53.23 H new ATOM 0 HG22 VAL A 35 -8.272 1.070 -4.218 1.00 53.23 H new ATOM 0 HG23 VAL A 35 -7.033 -0.146 -4.609 1.00 53.23 H new ATOM 590 N TRP A 36 -8.844 -3.172 -1.658 1.00 52.55 N ATOM 591 CA TRP A 36 -9.534 -4.220 -0.913 1.00 40.32 C ATOM 592 C TRP A 36 -9.346 -4.033 0.588 1.00 34.23 C ATOM 593 O TRP A 36 -10.191 -4.443 1.383 1.00 30.53 O ATOM 594 CB TRP A 36 -9.021 -5.597 -1.337 1.00 1.01 C ATOM 595 CG TRP A 36 -9.628 -6.722 -0.556 1.00 21.22 C ATOM 596 CD1 TRP A 36 -10.774 -7.402 -0.855 1.00 70.45 C ATOM 597 CD2 TRP A 36 -9.122 -7.297 0.654 1.00 70.33 C ATOM 598 NE1 TRP A 36 -11.011 -8.366 0.096 1.00 45.12 N ATOM 599 CE2 TRP A 36 -10.011 -8.322 1.032 1.00 33.51 C ATOM 600 CE3 TRP A 36 -8.004 -7.048 1.453 1.00 4.00 C ATOM 601 CZ2 TRP A 36 -9.816 -9.093 2.175 1.00 64.13 C ATOM 602 CZ3 TRP A 36 -7.810 -7.814 2.587 1.00 75.33 C ATOM 603 CH2 TRP A 36 -8.712 -8.827 2.938 1.00 22.41 C ATOM 0 H TRP A 36 -8.154 -3.514 -2.327 1.00 52.55 H new ATOM 0 HA TRP A 36 -10.598 -4.152 -1.138 1.00 40.32 H new ATOM 0 HB2 TRP A 36 -9.231 -5.745 -2.396 1.00 1.01 H new ATOM 0 HB3 TRP A 36 -7.938 -5.625 -1.220 1.00 1.01 H new ATOM 0 HD1 TRP A 36 -11.402 -7.211 -1.713 1.00 70.45 H new ATOM 0 HE1 TRP A 36 -11.802 -9.009 0.104 1.00 45.12 H new ATOM 0 HE3 TRP A 36 -7.303 -6.270 1.189 1.00 4.00 H new ATOM 0 HZ2 TRP A 36 -10.511 -9.873 2.449 1.00 64.13 H new ATOM 0 HZ3 TRP A 36 -6.949 -7.629 3.213 1.00 75.33 H new ATOM 0 HH2 TRP A 36 -8.532 -9.410 3.829 1.00 22.41 H new ATOM 614 N ALA A 37 -8.235 -3.412 0.969 1.00 34.52 N ATOM 615 CA ALA A 37 -7.939 -3.170 2.375 1.00 33.21 C ATOM 616 C ALA A 37 -8.833 -2.073 2.943 1.00 23.43 C ATOM 617 O ALA A 37 -9.389 -2.214 4.032 1.00 25.01 O ATOM 618 CB ALA A 37 -6.473 -2.802 2.551 1.00 63.41 C ATOM 0 H ALA A 37 -7.525 -3.067 0.323 1.00 34.52 H new ATOM 0 HA ALA A 37 -8.140 -4.089 2.926 1.00 33.21 H new ATOM 0 HB1 ALA A 37 -6.267 -2.624 3.606 1.00 63.41 H new ATOM 0 HB2 ALA A 37 -5.847 -3.619 2.192 1.00 63.41 H new ATOM 0 HB3 ALA A 37 -6.254 -1.899 1.981 1.00 63.41 H new ATOM 624 N ALA A 38 -8.965 -0.980 2.200 1.00 12.31 N ATOM 625 CA ALA A 38 -9.793 0.141 2.629 1.00 24.43 C ATOM 626 C ALA A 38 -11.242 -0.291 2.827 1.00 55.44 C ATOM 627 O ALA A 38 -11.906 0.143 3.766 1.00 52.42 O ATOM 628 CB ALA A 38 -9.711 1.275 1.618 1.00 1.44 C ATOM 0 H ALA A 38 -8.509 -0.846 1.297 1.00 12.31 H new ATOM 0 HA ALA A 38 -9.413 0.496 3.587 1.00 24.43 H new ATOM 0 HB1 ALA A 38 -10.334 2.105 1.951 1.00 1.44 H new ATOM 0 HB2 ALA A 38 -8.677 1.610 1.530 1.00 1.44 H new ATOM 0 HB3 ALA A 38 -10.063 0.924 0.648 1.00 1.44 H new ATOM 634 N ASN A 39 -11.726 -1.148 1.933 1.00 22.21 N ATOM 635 CA ASN A 39 -13.098 -1.637 2.009 1.00 42.33 C ATOM 636 C ASN A 39 -13.373 -2.279 3.366 1.00 10.12 C ATOM 637 O ASN A 39 -14.497 -2.243 3.866 1.00 22.13 O ATOM 638 CB ASN A 39 -13.364 -2.648 0.892 1.00 45.51 C ATOM 639 CG ASN A 39 -14.554 -2.263 0.035 1.00 0.11 C ATOM 640 OD1 ASN A 39 -15.602 -2.907 0.085 1.00 72.24 O ATOM 641 ND2 ASN A 39 -14.398 -1.208 -0.756 1.00 21.21 N ATOM 0 H ASN A 39 -11.189 -1.518 1.149 1.00 22.21 H new ATOM 0 HA ASN A 39 -13.767 -0.785 1.887 1.00 42.33 H new ATOM 0 HB2 ASN A 39 -12.478 -2.731 0.262 1.00 45.51 H new ATOM 0 HB3 ASN A 39 -13.538 -3.631 1.329 1.00 45.51 H new ATOM 0 HD21 ASN A 39 -15.165 -0.902 -1.355 1.00 21.21 H new ATOM 0 HD22 ASN A 39 -13.511 -0.704 -0.765 1.00 21.21 H new ATOM 648 N LYS A 40 -12.338 -2.865 3.957 1.00 43.42 N ATOM 649 CA LYS A 40 -12.464 -3.513 5.257 1.00 75.11 C ATOM 650 C LYS A 40 -12.487 -2.481 6.380 1.00 61.34 C ATOM 651 O LYS A 40 -13.305 -2.566 7.297 1.00 4.34 O ATOM 652 CB LYS A 40 -11.311 -4.495 5.475 1.00 0.34 C ATOM 653 CG LYS A 40 -11.729 -5.781 6.166 1.00 30.13 C ATOM 654 CD LYS A 40 -11.344 -7.003 5.350 1.00 72.13 C ATOM 655 CE LYS A 40 -11.337 -8.264 6.202 1.00 13.44 C ATOM 656 NZ LYS A 40 -12.379 -9.235 5.764 1.00 41.32 N ATOM 0 H LYS A 40 -11.401 -2.905 3.556 1.00 43.42 H new ATOM 0 HA LYS A 40 -13.406 -4.061 5.272 1.00 75.11 H new ATOM 0 HB2 LYS A 40 -10.866 -4.739 4.511 1.00 0.34 H new ATOM 0 HB3 LYS A 40 -10.538 -4.008 6.069 1.00 0.34 H new ATOM 0 HG2 LYS A 40 -11.260 -5.836 7.149 1.00 30.13 H new ATOM 0 HG3 LYS A 40 -12.807 -5.775 6.327 1.00 30.13 H new ATOM 0 HD2 LYS A 40 -12.044 -7.125 4.524 1.00 72.13 H new ATOM 0 HD3 LYS A 40 -10.357 -6.853 4.912 1.00 72.13 H new ATOM 0 HE2 LYS A 40 -10.355 -8.735 6.146 1.00 13.44 H new ATOM 0 HE3 LYS A 40 -11.504 -7.998 7.246 1.00 13.44 H new ATOM 0 HZ1 LYS A 40 -12.591 -9.891 6.542 1.00 41.32 H new ATOM 0 HZ2 LYS A 40 -13.243 -8.721 5.500 1.00 41.32 H new ATOM 0 HZ3 LYS A 40 -12.031 -9.771 4.944 1.00 41.32 H new ATOM 670 N LEU A 41 -11.587 -1.508 6.300 1.00 14.03 N ATOM 671 CA LEU A 41 -11.505 -0.457 7.310 1.00 70.31 C ATOM 672 C LEU A 41 -12.871 0.179 7.546 1.00 32.33 C ATOM 673 O LEU A 41 -13.148 0.696 8.629 1.00 21.35 O ATOM 674 CB LEU A 41 -10.500 0.612 6.881 1.00 61.24 C ATOM 675 CG LEU A 41 -9.026 0.214 6.951 1.00 64.41 C ATOM 676 CD1 LEU A 41 -8.170 1.195 6.166 1.00 45.23 C ATOM 677 CD2 LEU A 41 -8.561 0.138 8.397 1.00 20.25 C ATOM 0 H LEU A 41 -10.904 -1.424 5.547 1.00 14.03 H new ATOM 0 HA LEU A 41 -11.169 -0.909 8.243 1.00 70.31 H new ATOM 0 HB2 LEU A 41 -10.728 0.906 5.856 1.00 61.24 H new ATOM 0 HB3 LEU A 41 -10.648 1.493 7.506 1.00 61.24 H new ATOM 0 HG LEU A 41 -8.916 -0.773 6.503 1.00 64.41 H new ATOM 0 HD11 LEU A 41 -7.124 0.895 6.227 1.00 45.23 H new ATOM 0 HD12 LEU A 41 -8.486 1.199 5.123 1.00 45.23 H new ATOM 0 HD13 LEU A 41 -8.286 2.195 6.584 1.00 45.23 H new ATOM 0 HD21 LEU A 41 -7.509 -0.147 8.426 1.00 20.25 H new ATOM 0 HD22 LEU A 41 -8.687 1.111 8.871 1.00 20.25 H new ATOM 0 HD23 LEU A 41 -9.153 -0.605 8.931 1.00 20.25 H new ATOM 689 N ASP A 42 -13.723 0.134 6.527 1.00 31.35 N ATOM 690 CA ASP A 42 -15.062 0.703 6.626 1.00 61.23 C ATOM 691 C ASP A 42 -15.966 -0.179 7.481 1.00 11.15 C ATOM 692 O ASP A 42 -16.609 0.297 8.417 1.00 13.21 O ATOM 693 CB ASP A 42 -15.669 0.876 5.233 1.00 41.12 C ATOM 694 CG ASP A 42 -15.159 2.118 4.530 1.00 44.14 C ATOM 695 OD1 ASP A 42 -14.085 2.622 4.919 1.00 65.43 O ATOM 696 OD2 ASP A 42 -15.835 2.589 3.589 1.00 11.14 O ATOM 0 H ASP A 42 -13.510 -0.290 5.624 1.00 31.35 H new ATOM 0 HA ASP A 42 -14.980 1.680 7.103 1.00 61.23 H new ATOM 0 HB2 ASP A 42 -15.439 -0.001 4.628 1.00 41.12 H new ATOM 0 HB3 ASP A 42 -16.754 0.929 5.317 1.00 41.12 H new ATOM 701 N ARG A 43 -16.011 -1.466 7.154 1.00 42.11 N ATOM 702 CA ARG A 43 -16.838 -2.414 7.891 1.00 23.02 C ATOM 703 C ARG A 43 -16.580 -2.308 9.391 1.00 21.12 C ATOM 704 O ARG A 43 -17.437 -2.654 10.205 1.00 70.42 O ATOM 705 CB ARG A 43 -16.561 -3.842 7.416 1.00 74.34 C ATOM 706 CG ARG A 43 -17.492 -4.877 8.024 1.00 75.35 C ATOM 707 CD ARG A 43 -18.526 -5.358 7.016 1.00 21.01 C ATOM 708 NE ARG A 43 -19.822 -5.610 7.640 1.00 72.34 N ATOM 709 CZ ARG A 43 -20.958 -5.711 6.958 1.00 12.33 C ATOM 710 NH1 ARG A 43 -20.957 -5.582 5.639 1.00 50.33 N ATOM 711 NH2 ARG A 43 -22.097 -5.942 7.597 1.00 34.40 N ATOM 0 H ARG A 43 -15.484 -1.877 6.383 1.00 42.11 H new ATOM 0 HA ARG A 43 -17.883 -2.171 7.700 1.00 23.02 H new ATOM 0 HB2 ARG A 43 -16.650 -3.878 6.330 1.00 74.34 H new ATOM 0 HB3 ARG A 43 -15.531 -4.104 7.660 1.00 74.34 H new ATOM 0 HG2 ARG A 43 -16.910 -5.726 8.382 1.00 75.35 H new ATOM 0 HG3 ARG A 43 -17.998 -4.449 8.890 1.00 75.35 H new ATOM 0 HD2 ARG A 43 -18.641 -4.611 6.230 1.00 21.01 H new ATOM 0 HD3 ARG A 43 -18.170 -6.271 6.539 1.00 21.01 H new ATOM 0 HE ARG A 43 -19.857 -5.714 8.654 1.00 72.34 H new ATOM 0 HH11 ARG A 43 -20.083 -5.405 5.145 1.00 50.33 H new ATOM 0 HH12 ARG A 43 -21.831 -5.660 5.118 1.00 50.33 H new ATOM 0 HH21 ARG A 43 -22.101 -6.042 8.612 1.00 34.40 H new ATOM 0 HH22 ARG A 43 -22.969 -6.019 7.073 1.00 34.40 H new ATOM 725 N PHE A 44 -15.395 -1.827 9.751 1.00 72.44 N ATOM 726 CA PHE A 44 -15.024 -1.676 11.153 1.00 61.03 C ATOM 727 C PHE A 44 -15.237 -0.240 11.621 1.00 53.35 C ATOM 728 O PHE A 44 -15.794 0.001 12.691 1.00 22.22 O ATOM 729 CB PHE A 44 -13.564 -2.082 11.362 1.00 1.52 C ATOM 730 CG PHE A 44 -13.332 -3.562 11.264 1.00 31.42 C ATOM 731 CD1 PHE A 44 -13.922 -4.430 12.168 1.00 33.34 C ATOM 732 CD2 PHE A 44 -12.524 -4.086 10.267 1.00 11.12 C ATOM 733 CE1 PHE A 44 -13.711 -5.793 12.080 1.00 41.12 C ATOM 734 CE2 PHE A 44 -12.309 -5.448 10.174 1.00 14.22 C ATOM 735 CZ PHE A 44 -12.904 -6.303 11.082 1.00 40.41 C ATOM 0 H PHE A 44 -14.675 -1.535 9.091 1.00 72.44 H new ATOM 0 HA PHE A 44 -15.664 -2.330 11.745 1.00 61.03 H new ATOM 0 HB2 PHE A 44 -12.945 -1.576 10.621 1.00 1.52 H new ATOM 0 HB3 PHE A 44 -13.236 -1.735 12.342 1.00 1.52 H new ATOM 0 HD1 PHE A 44 -14.554 -4.037 12.951 1.00 33.34 H new ATOM 0 HD2 PHE A 44 -12.057 -3.422 9.555 1.00 11.12 H new ATOM 0 HE1 PHE A 44 -14.177 -6.459 12.791 1.00 41.12 H new ATOM 0 HE2 PHE A 44 -11.677 -5.844 9.393 1.00 14.22 H new ATOM 0 HZ PHE A 44 -12.738 -7.368 11.011 1.00 40.41 H new ATOM 745 N GLY A 45 -14.789 0.713 10.809 1.00 53.34 N ATOM 746 CA GLY A 45 -14.939 2.115 11.156 1.00 43.14 C ATOM 747 C GLY A 45 -13.722 2.938 10.782 1.00 20.31 C ATOM 748 O GLY A 45 -13.848 4.025 10.219 1.00 12.44 O ATOM 0 H GLY A 45 -14.325 0.540 9.917 1.00 53.34 H new ATOM 0 HA2 GLY A 45 -15.816 2.519 10.651 1.00 43.14 H new ATOM 0 HA3 GLY A 45 -15.119 2.204 12.227 1.00 43.14 H new ATOM 752 N LEU A 46 -12.540 2.420 11.098 1.00 62.23 N ATOM 753 CA LEU A 46 -11.294 3.115 10.793 1.00 12.35 C ATOM 754 C LEU A 46 -11.350 3.750 9.407 1.00 12.22 C ATOM 755 O LEU A 46 -11.876 3.160 8.465 1.00 63.13 O ATOM 756 CB LEU A 46 -10.114 2.147 10.876 1.00 62.50 C ATOM 757 CG LEU A 46 -9.326 2.158 12.188 1.00 50.41 C ATOM 758 CD1 LEU A 46 -9.421 0.807 12.879 1.00 53.10 C ATOM 759 CD2 LEU A 46 -7.872 2.528 11.933 1.00 13.00 C ATOM 0 H LEU A 46 -12.418 1.521 11.565 1.00 62.23 H new ATOM 0 HA LEU A 46 -11.158 3.907 11.530 1.00 12.35 H new ATOM 0 HB2 LEU A 46 -10.487 1.137 10.708 1.00 62.50 H new ATOM 0 HB3 LEU A 46 -9.427 2.373 10.061 1.00 62.50 H new ATOM 0 HG LEU A 46 -9.762 2.910 12.845 1.00 50.41 H new ATOM 0 HD11 LEU A 46 -8.855 0.834 13.810 1.00 53.10 H new ATOM 0 HD12 LEU A 46 -10.465 0.582 13.096 1.00 53.10 H new ATOM 0 HD13 LEU A 46 -9.011 0.035 12.227 1.00 53.10 H new ATOM 0 HD21 LEU A 46 -7.326 2.531 12.877 1.00 13.00 H new ATOM 0 HD22 LEU A 46 -7.424 1.799 11.257 1.00 13.00 H new ATOM 0 HD23 LEU A 46 -7.822 3.519 11.482 1.00 13.00 H new ATOM 771 N ALA A 47 -10.801 4.955 9.292 1.00 73.22 N ATOM 772 CA ALA A 47 -10.785 5.668 8.021 1.00 22.35 C ATOM 773 C ALA A 47 -9.728 5.095 7.084 1.00 61.42 C ATOM 774 O ALA A 47 -8.619 4.773 7.508 1.00 23.42 O ATOM 775 CB ALA A 47 -10.539 7.152 8.251 1.00 13.22 C ATOM 0 H ALA A 47 -10.362 5.457 10.063 1.00 73.22 H new ATOM 0 HA ALA A 47 -11.759 5.541 7.549 1.00 22.35 H new ATOM 0 HB1 ALA A 47 -10.530 7.672 7.293 1.00 13.22 H new ATOM 0 HB2 ALA A 47 -11.333 7.560 8.877 1.00 13.22 H new ATOM 0 HB3 ALA A 47 -9.578 7.289 8.748 1.00 13.22 H new ATOM 781 N GLU A 48 -10.080 4.968 5.808 1.00 42.13 N ATOM 782 CA GLU A 48 -9.161 4.431 4.812 1.00 32.31 C ATOM 783 C GLU A 48 -7.999 5.391 4.570 1.00 71.52 C ATOM 784 O GLU A 48 -6.951 4.997 4.057 1.00 14.14 O ATOM 785 CB GLU A 48 -9.897 4.163 3.497 1.00 1.14 C ATOM 786 CG GLU A 48 -10.647 5.372 2.962 1.00 21.04 C ATOM 787 CD GLU A 48 -10.269 5.707 1.533 1.00 75.41 C ATOM 788 OE1 GLU A 48 -10.151 4.771 0.715 1.00 74.13 O ATOM 789 OE2 GLU A 48 -10.091 6.906 1.233 1.00 21.25 O ATOM 0 H GLU A 48 -10.995 5.230 5.440 1.00 42.13 H new ATOM 0 HA GLU A 48 -8.761 3.492 5.194 1.00 32.31 H new ATOM 0 HB2 GLU A 48 -9.177 3.832 2.748 1.00 1.14 H new ATOM 0 HB3 GLU A 48 -10.602 3.345 3.645 1.00 1.14 H new ATOM 0 HG2 GLU A 48 -11.719 5.183 3.015 1.00 21.04 H new ATOM 0 HG3 GLU A 48 -10.443 6.233 3.599 1.00 21.04 H new ATOM 796 N SER A 49 -8.194 6.651 4.943 1.00 11.50 N ATOM 797 CA SER A 49 -7.165 7.669 4.762 1.00 32.02 C ATOM 798 C SER A 49 -5.997 7.436 5.716 1.00 15.11 C ATOM 799 O SER A 49 -4.942 8.057 5.587 1.00 3.23 O ATOM 800 CB SER A 49 -7.752 9.064 4.989 1.00 61.54 C ATOM 801 OG SER A 49 -7.925 9.326 6.370 1.00 13.44 O ATOM 0 H SER A 49 -9.054 6.992 5.372 1.00 11.50 H new ATOM 0 HA SER A 49 -6.796 7.599 3.739 1.00 32.02 H new ATOM 0 HB2 SER A 49 -7.093 9.815 4.553 1.00 61.54 H new ATOM 0 HB3 SER A 49 -8.711 9.146 4.477 1.00 61.54 H new ATOM 0 HG SER A 49 -8.300 10.224 6.488 1.00 13.44 H new ATOM 807 N LEU A 50 -6.194 6.536 6.674 1.00 41.31 N ATOM 808 CA LEU A 50 -5.158 6.219 7.650 1.00 14.23 C ATOM 809 C LEU A 50 -4.141 5.244 7.067 1.00 1.33 C ATOM 810 O LEU A 50 -3.166 4.879 7.727 1.00 30.43 O ATOM 811 CB LEU A 50 -5.785 5.626 8.914 1.00 43.04 C ATOM 812 CG LEU A 50 -6.680 6.565 9.724 1.00 25.31 C ATOM 813 CD1 LEU A 50 -7.257 5.842 10.931 1.00 12.11 C ATOM 814 CD2 LEU A 50 -5.901 7.798 10.160 1.00 63.32 C ATOM 0 H LEU A 50 -7.062 6.013 6.795 1.00 41.31 H new ATOM 0 HA LEU A 50 -4.641 7.143 7.908 1.00 14.23 H new ATOM 0 HB2 LEU A 50 -6.372 4.753 8.629 1.00 43.04 H new ATOM 0 HB3 LEU A 50 -4.983 5.273 9.562 1.00 43.04 H new ATOM 0 HG LEU A 50 -7.506 6.887 9.090 1.00 25.31 H new ATOM 0 HD11 LEU A 50 -7.891 6.525 11.496 1.00 12.11 H new ATOM 0 HD12 LEU A 50 -7.849 4.990 10.596 1.00 12.11 H new ATOM 0 HD13 LEU A 50 -6.445 5.491 11.568 1.00 12.11 H new ATOM 0 HD21 LEU A 50 -6.553 8.456 10.735 1.00 63.32 H new ATOM 0 HD22 LEU A 50 -5.055 7.495 10.777 1.00 63.32 H new ATOM 0 HD23 LEU A 50 -5.536 8.328 9.280 1.00 63.32 H new ATOM 826 N LEU A 51 -4.372 4.826 5.828 1.00 51.12 N ATOM 827 CA LEU A 51 -3.474 3.895 5.154 1.00 23.45 C ATOM 828 C LEU A 51 -2.246 4.618 4.611 1.00 3.14 C ATOM 829 O LEU A 51 -1.389 4.011 3.970 1.00 2.12 O ATOM 830 CB LEU A 51 -4.206 3.183 4.015 1.00 0.41 C ATOM 831 CG LEU A 51 -4.786 1.807 4.346 1.00 12.10 C ATOM 832 CD1 LEU A 51 -5.946 1.480 3.419 1.00 12.20 C ATOM 833 CD2 LEU A 51 -3.708 0.737 4.252 1.00 1.45 C ATOM 0 H LEU A 51 -5.174 5.117 5.269 1.00 51.12 H new ATOM 0 HA LEU A 51 -3.144 3.156 5.884 1.00 23.45 H new ATOM 0 HB2 LEU A 51 -5.018 3.825 3.675 1.00 0.41 H new ATOM 0 HB3 LEU A 51 -3.515 3.072 3.179 1.00 0.41 H new ATOM 0 HG LEU A 51 -5.160 1.828 5.370 1.00 12.10 H new ATOM 0 HD11 LEU A 51 -6.346 0.497 3.669 1.00 12.20 H new ATOM 0 HD12 LEU A 51 -6.728 2.231 3.536 1.00 12.20 H new ATOM 0 HD13 LEU A 51 -5.597 1.477 2.386 1.00 12.20 H new ATOM 0 HD21 LEU A 51 -4.139 -0.235 4.491 1.00 1.45 H new ATOM 0 HD22 LEU A 51 -3.303 0.716 3.240 1.00 1.45 H new ATOM 0 HD23 LEU A 51 -2.909 0.963 4.958 1.00 1.45 H new ATOM 845 N GLU A 52 -2.167 5.919 4.874 1.00 53.11 N ATOM 846 CA GLU A 52 -1.043 6.724 4.411 1.00 14.52 C ATOM 847 C GLU A 52 -0.282 7.323 5.591 1.00 41.44 C ATOM 848 O GLU A 52 0.200 8.455 5.522 1.00 21.52 O ATOM 849 CB GLU A 52 -1.533 7.841 3.486 1.00 65.21 C ATOM 850 CG GLU A 52 -2.554 8.762 4.131 1.00 4.54 C ATOM 851 CD GLU A 52 -2.310 10.223 3.805 1.00 62.22 C ATOM 852 OE1 GLU A 52 -2.596 10.630 2.659 1.00 70.54 O ATOM 853 OE2 GLU A 52 -1.834 10.959 4.693 1.00 4.44 O ATOM 0 H GLU A 52 -2.867 6.437 5.405 1.00 53.11 H new ATOM 0 HA GLU A 52 -0.367 6.074 3.856 1.00 14.52 H new ATOM 0 HB2 GLU A 52 -0.677 8.433 3.160 1.00 65.21 H new ATOM 0 HB3 GLU A 52 -1.971 7.395 2.593 1.00 65.21 H new ATOM 0 HG2 GLU A 52 -3.553 8.481 3.797 1.00 4.54 H new ATOM 0 HG3 GLU A 52 -2.529 8.626 5.212 1.00 4.54 H new ATOM 860 N SER A 53 -0.180 6.558 6.672 1.00 21.54 N ATOM 861 CA SER A 53 0.518 7.013 7.869 1.00 41.41 C ATOM 862 C SER A 53 0.738 5.859 8.842 1.00 65.23 C ATOM 863 O SER A 53 -0.191 5.120 9.168 1.00 63.30 O ATOM 864 CB SER A 53 -0.274 8.129 8.553 1.00 22.00 C ATOM 865 OG SER A 53 -0.973 7.637 9.684 1.00 72.11 O ATOM 0 H SER A 53 -0.572 5.619 6.744 1.00 21.54 H new ATOM 0 HA SER A 53 1.491 7.400 7.567 1.00 41.41 H new ATOM 0 HB2 SER A 53 0.404 8.926 8.859 1.00 22.00 H new ATOM 0 HB3 SER A 53 -0.980 8.565 7.846 1.00 22.00 H new ATOM 0 HG SER A 53 -0.594 8.028 10.499 1.00 72.11 H new ATOM 871 N LYS A 54 1.977 5.711 9.303 1.00 75.14 N ATOM 872 CA LYS A 54 2.322 4.648 10.240 1.00 55.33 C ATOM 873 C LYS A 54 1.375 4.648 11.436 1.00 42.51 C ATOM 874 O LYS A 54 0.825 3.611 11.803 1.00 13.20 O ATOM 875 CB LYS A 54 3.766 4.812 10.718 1.00 23.45 C ATOM 876 CG LYS A 54 4.089 6.211 11.211 1.00 50.51 C ATOM 877 CD LYS A 54 5.579 6.392 11.441 1.00 25.14 C ATOM 878 CE LYS A 54 6.178 7.394 10.467 1.00 54.02 C ATOM 879 NZ LYS A 54 6.421 8.716 11.108 1.00 33.35 N ATOM 0 H LYS A 54 2.758 6.314 9.043 1.00 75.14 H new ATOM 0 HA LYS A 54 2.223 3.694 9.722 1.00 55.33 H new ATOM 0 HB2 LYS A 54 3.957 4.100 11.521 1.00 23.45 H new ATOM 0 HB3 LYS A 54 4.441 4.559 9.901 1.00 23.45 H new ATOM 0 HG2 LYS A 54 3.741 6.944 10.483 1.00 50.51 H new ATOM 0 HG3 LYS A 54 3.551 6.404 12.139 1.00 50.51 H new ATOM 0 HD2 LYS A 54 5.752 6.729 12.463 1.00 25.14 H new ATOM 0 HD3 LYS A 54 6.084 5.432 11.333 1.00 25.14 H new ATOM 0 HE2 LYS A 54 7.117 7.003 10.075 1.00 54.02 H new ATOM 0 HE3 LYS A 54 5.506 7.520 9.618 1.00 54.02 H new ATOM 0 HZ1 LYS A 54 6.830 9.370 10.410 1.00 33.35 H new ATOM 0 HZ2 LYS A 54 5.521 9.102 11.459 1.00 33.35 H new ATOM 0 HZ3 LYS A 54 7.082 8.600 11.903 1.00 33.35 H new ATOM 893 N GLU A 55 1.191 5.820 12.038 1.00 70.21 N ATOM 894 CA GLU A 55 0.310 5.954 13.193 1.00 75.23 C ATOM 895 C GLU A 55 -1.058 5.343 12.907 1.00 73.24 C ATOM 896 O GLU A 55 -1.605 4.606 13.727 1.00 63.15 O ATOM 897 CB GLU A 55 0.153 7.427 13.574 1.00 72.10 C ATOM 898 CG GLU A 55 0.807 7.787 14.897 1.00 20.04 C ATOM 899 CD GLU A 55 -0.117 8.566 15.812 1.00 1.31 C ATOM 900 OE1 GLU A 55 -1.014 9.264 15.294 1.00 72.33 O ATOM 901 OE2 GLU A 55 0.058 8.480 17.045 1.00 14.43 O ATOM 0 H GLU A 55 1.639 6.688 11.746 1.00 70.21 H new ATOM 0 HA GLU A 55 0.762 5.417 14.027 1.00 75.23 H new ATOM 0 HB2 GLU A 55 0.583 8.045 12.786 1.00 72.10 H new ATOM 0 HB3 GLU A 55 -0.909 7.669 13.625 1.00 72.10 H new ATOM 0 HG2 GLU A 55 1.126 6.874 15.400 1.00 20.04 H new ATOM 0 HG3 GLU A 55 1.704 8.376 14.706 1.00 20.04 H new ATOM 908 N GLY A 56 -1.607 5.655 11.737 1.00 72.43 N ATOM 909 CA GLY A 56 -2.907 5.129 11.363 1.00 70.11 C ATOM 910 C GLY A 56 -2.882 3.632 11.130 1.00 72.45 C ATOM 911 O GLY A 56 -3.790 2.915 11.554 1.00 43.24 O ATOM 0 H GLY A 56 -1.175 6.263 11.041 1.00 72.43 H new ATOM 0 HA2 GLY A 56 -3.628 5.359 12.147 1.00 70.11 H new ATOM 0 HA3 GLY A 56 -3.251 5.629 10.457 1.00 70.11 H new ATOM 915 N CYS A 57 -1.843 3.157 10.453 1.00 44.44 N ATOM 916 CA CYS A 57 -1.704 1.735 10.161 1.00 5.34 C ATOM 917 C CYS A 57 -1.497 0.935 11.443 1.00 51.41 C ATOM 918 O CYS A 57 -1.886 -0.230 11.528 1.00 42.22 O ATOM 919 CB CYS A 57 -0.533 1.501 9.206 1.00 73.33 C ATOM 920 SG CYS A 57 -1.028 1.161 7.500 1.00 75.11 S ATOM 0 H CYS A 57 -1.084 3.736 10.096 1.00 44.44 H new ATOM 0 HA CYS A 57 -2.624 1.395 9.686 1.00 5.34 H new ATOM 0 HB2 CYS A 57 0.112 2.379 9.218 1.00 73.33 H new ATOM 0 HB3 CYS A 57 0.061 0.664 9.574 1.00 73.33 H new ATOM 0 HG CYS A 57 -0.712 2.172 6.747 1.00 75.11 H new ATOM 926 N GLN A 58 -0.882 1.569 12.437 1.00 21.40 N ATOM 927 CA GLN A 58 -0.622 0.914 13.713 1.00 34.03 C ATOM 928 C GLN A 58 -1.926 0.599 14.439 1.00 23.11 C ATOM 929 O GLN A 58 -2.065 -0.456 15.059 1.00 73.32 O ATOM 930 CB GLN A 58 0.264 1.798 14.593 1.00 14.33 C ATOM 931 CG GLN A 58 0.880 1.062 15.771 1.00 23.13 C ATOM 932 CD GLN A 58 1.599 1.991 16.729 1.00 43.03 C ATOM 933 OE1 GLN A 58 2.773 2.310 16.537 1.00 4.23 O ATOM 934 NE2 GLN A 58 0.898 2.432 17.767 1.00 60.12 N ATOM 0 H GLN A 58 -0.555 2.534 12.383 1.00 21.40 H new ATOM 0 HA GLN A 58 -0.103 -0.023 13.512 1.00 34.03 H new ATOM 0 HB2 GLN A 58 1.062 2.221 13.982 1.00 14.33 H new ATOM 0 HB3 GLN A 58 -0.328 2.633 14.967 1.00 14.33 H new ATOM 0 HG2 GLN A 58 0.098 0.526 16.309 1.00 23.13 H new ATOM 0 HG3 GLN A 58 1.582 0.314 15.401 1.00 23.13 H new ATOM 0 HE21 GLN A 58 -0.072 2.142 17.887 1.00 60.12 H new ATOM 0 HE22 GLN A 58 1.330 3.061 18.444 1.00 60.12 H new ATOM 943 N LYS A 59 -2.880 1.520 14.358 1.00 20.11 N ATOM 944 CA LYS A 59 -4.174 1.340 15.006 1.00 51.31 C ATOM 945 C LYS A 59 -4.971 0.229 14.331 1.00 54.44 C ATOM 946 O LYS A 59 -5.900 -0.325 14.918 1.00 21.33 O ATOM 947 CB LYS A 59 -4.970 2.648 14.971 1.00 22.42 C ATOM 948 CG LYS A 59 -4.966 3.398 16.292 1.00 43.32 C ATOM 949 CD LYS A 59 -5.175 4.889 16.086 1.00 65.12 C ATOM 950 CE LYS A 59 -6.355 5.403 16.896 1.00 12.24 C ATOM 951 NZ LYS A 59 -7.595 5.492 16.075 1.00 4.51 N ATOM 0 H LYS A 59 -2.782 2.399 13.850 1.00 20.11 H new ATOM 0 HA LYS A 59 -3.997 1.056 16.043 1.00 51.31 H new ATOM 0 HB2 LYS A 59 -4.558 3.293 14.195 1.00 22.42 H new ATOM 0 HB3 LYS A 59 -6.000 2.429 14.690 1.00 22.42 H new ATOM 0 HG2 LYS A 59 -5.752 3.005 16.937 1.00 43.32 H new ATOM 0 HG3 LYS A 59 -4.019 3.230 16.804 1.00 43.32 H new ATOM 0 HD2 LYS A 59 -4.272 5.427 16.374 1.00 65.12 H new ATOM 0 HD3 LYS A 59 -5.343 5.091 15.028 1.00 65.12 H new ATOM 0 HE2 LYS A 59 -6.528 4.742 17.745 1.00 12.24 H new ATOM 0 HE3 LYS A 59 -6.116 6.386 17.301 1.00 12.24 H new ATOM 0 HZ1 LYS A 59 -8.376 5.846 16.663 1.00 4.51 H new ATOM 0 HZ2 LYS A 59 -7.438 6.143 15.279 1.00 4.51 H new ATOM 0 HZ3 LYS A 59 -7.837 4.549 15.709 1.00 4.51 H new ATOM 965 N ILE A 60 -4.601 -0.091 13.096 1.00 72.20 N ATOM 966 CA ILE A 60 -5.281 -1.139 12.343 1.00 63.10 C ATOM 967 C ILE A 60 -4.845 -2.523 12.811 1.00 21.34 C ATOM 968 O ILE A 60 -5.661 -3.440 12.914 1.00 23.21 O ATOM 969 CB ILE A 60 -5.011 -1.011 10.832 1.00 65.21 C ATOM 970 CG1 ILE A 60 -5.496 0.345 10.318 1.00 52.10 C ATOM 971 CG2 ILE A 60 -5.690 -2.144 10.076 1.00 65.23 C ATOM 972 CD1 ILE A 60 -4.986 0.685 8.935 1.00 50.12 C ATOM 0 H ILE A 60 -3.835 0.359 12.595 1.00 72.20 H new ATOM 0 HA ILE A 60 -6.349 -1.017 12.525 1.00 63.10 H new ATOM 0 HB ILE A 60 -3.936 -1.079 10.662 1.00 65.21 H new ATOM 0 HG12 ILE A 60 -6.586 0.351 10.306 1.00 52.10 H new ATOM 0 HG13 ILE A 60 -5.180 1.122 11.014 1.00 52.10 H new ATOM 0 HG21 ILE A 60 -5.491 -2.041 9.009 1.00 65.23 H new ATOM 0 HG22 ILE A 60 -5.301 -3.100 10.427 1.00 65.23 H new ATOM 0 HG23 ILE A 60 -6.765 -2.104 10.250 1.00 65.23 H new ATOM 0 HD11 ILE A 60 -5.370 1.660 8.635 1.00 50.12 H new ATOM 0 HD12 ILE A 60 -3.896 0.712 8.945 1.00 50.12 H new ATOM 0 HD13 ILE A 60 -5.324 -0.071 8.227 1.00 50.12 H new ATOM 984 N LEU A 61 -3.555 -2.666 13.095 1.00 72.33 N ATOM 985 CA LEU A 61 -3.010 -3.940 13.554 1.00 1.52 C ATOM 986 C LEU A 61 -3.615 -4.338 14.897 1.00 12.12 C ATOM 987 O LEU A 61 -3.971 -5.497 15.110 1.00 35.43 O ATOM 988 CB LEU A 61 -1.487 -3.851 13.675 1.00 75.53 C ATOM 989 CG LEU A 61 -0.713 -3.800 12.357 1.00 22.55 C ATOM 990 CD1 LEU A 61 0.778 -3.660 12.622 1.00 63.24 C ATOM 991 CD2 LEU A 61 -0.995 -5.043 11.525 1.00 2.43 C ATOM 0 H LEU A 61 -2.867 -1.917 13.016 1.00 72.33 H new ATOM 0 HA LEU A 61 -3.267 -4.703 12.819 1.00 1.52 H new ATOM 0 HB2 LEU A 61 -1.239 -2.961 14.254 1.00 75.53 H new ATOM 0 HB3 LEU A 61 -1.137 -4.711 14.246 1.00 75.53 H new ATOM 0 HG LEU A 61 -1.046 -2.928 11.794 1.00 22.55 H new ATOM 0 HD11 LEU A 61 1.314 -3.625 11.674 1.00 63.24 H new ATOM 0 HD12 LEU A 61 0.964 -2.741 13.178 1.00 63.24 H new ATOM 0 HD13 LEU A 61 1.126 -4.513 13.204 1.00 63.24 H new ATOM 0 HD21 LEU A 61 -0.436 -4.990 10.591 1.00 2.43 H new ATOM 0 HD22 LEU A 61 -0.690 -5.930 12.081 1.00 2.43 H new ATOM 0 HD23 LEU A 61 -2.061 -5.101 11.307 1.00 2.43 H new ATOM 1003 N THR A 62 -3.732 -3.368 15.799 1.00 24.04 N ATOM 1004 CA THR A 62 -4.295 -3.617 17.120 1.00 43.00 C ATOM 1005 C THR A 62 -5.755 -4.044 17.024 1.00 73.20 C ATOM 1006 O THR A 62 -6.250 -4.792 17.866 1.00 32.45 O ATOM 1007 CB THR A 62 -4.194 -2.370 18.017 1.00 14.03 C ATOM 1008 OG1 THR A 62 -3.975 -2.761 19.378 1.00 50.43 O ATOM 1009 CG2 THR A 62 -5.462 -1.532 17.924 1.00 71.13 C ATOM 0 H THR A 62 -3.444 -2.403 15.638 1.00 24.04 H new ATOM 0 HA THR A 62 -3.713 -4.424 17.565 1.00 43.00 H new ATOM 0 HB THR A 62 -3.353 -1.769 17.672 1.00 14.03 H new ATOM 0 HG1 THR A 62 -3.910 -1.962 19.942 1.00 50.43 H new ATOM 0 HG21 THR A 62 -5.367 -0.656 18.566 1.00 71.13 H new ATOM 0 HG22 THR A 62 -5.611 -1.211 16.893 1.00 71.13 H new ATOM 0 HG23 THR A 62 -6.316 -2.128 18.246 1.00 71.13 H new ATOM 1017 N VAL A 63 -6.440 -3.565 15.990 1.00 0.05 N ATOM 1018 CA VAL A 63 -7.844 -3.899 15.782 1.00 4.21 C ATOM 1019 C VAL A 63 -7.993 -5.280 15.153 1.00 15.14 C ATOM 1020 O VAL A 63 -8.920 -6.024 15.476 1.00 13.01 O ATOM 1021 CB VAL A 63 -8.541 -2.860 14.884 1.00 31.23 C ATOM 1022 CG1 VAL A 63 -9.978 -3.273 14.605 1.00 24.52 C ATOM 1023 CG2 VAL A 63 -8.490 -1.481 15.527 1.00 32.51 C ATOM 0 H VAL A 63 -6.045 -2.944 15.283 1.00 0.05 H new ATOM 0 HA VAL A 63 -8.319 -3.897 16.763 1.00 4.21 H new ATOM 0 HB VAL A 63 -8.010 -2.813 13.933 1.00 31.23 H new ATOM 0 HG11 VAL A 63 -10.454 -2.527 13.969 1.00 24.52 H new ATOM 0 HG12 VAL A 63 -9.987 -4.239 14.100 1.00 24.52 H new ATOM 0 HG13 VAL A 63 -10.524 -3.350 15.545 1.00 24.52 H new ATOM 0 HG21 VAL A 63 -8.987 -0.759 14.879 1.00 32.51 H new ATOM 0 HG22 VAL A 63 -8.995 -1.511 16.492 1.00 32.51 H new ATOM 0 HG23 VAL A 63 -7.451 -1.185 15.671 1.00 32.51 H new ATOM 1033 N LEU A 64 -7.075 -5.617 14.256 1.00 63.04 N ATOM 1034 CA LEU A 64 -7.103 -6.910 13.580 1.00 15.14 C ATOM 1035 C LEU A 64 -6.509 -7.999 14.466 1.00 25.34 C ATOM 1036 O LEU A 64 -6.775 -9.185 14.272 1.00 70.51 O ATOM 1037 CB LEU A 64 -6.336 -6.834 12.259 1.00 64.31 C ATOM 1038 CG LEU A 64 -6.882 -5.855 11.220 1.00 12.13 C ATOM 1039 CD1 LEU A 64 -5.846 -5.591 10.138 1.00 30.11 C ATOM 1040 CD2 LEU A 64 -8.170 -6.390 10.609 1.00 12.54 C ATOM 0 H LEU A 64 -6.301 -5.013 13.979 1.00 63.04 H new ATOM 0 HA LEU A 64 -8.143 -7.163 13.374 1.00 15.14 H new ATOM 0 HB2 LEU A 64 -5.303 -6.562 12.477 1.00 64.31 H new ATOM 0 HB3 LEU A 64 -6.317 -7.830 11.816 1.00 64.31 H new ATOM 0 HG LEU A 64 -7.104 -4.912 11.719 1.00 12.13 H new ATOM 0 HD11 LEU A 64 -6.253 -4.892 9.407 1.00 30.11 H new ATOM 0 HD12 LEU A 64 -4.950 -5.164 10.589 1.00 30.11 H new ATOM 0 HD13 LEU A 64 -5.592 -6.527 9.641 1.00 30.11 H new ATOM 0 HD21 LEU A 64 -8.545 -5.680 9.871 1.00 12.54 H new ATOM 0 HD22 LEU A 64 -7.973 -7.347 10.125 1.00 12.54 H new ATOM 0 HD23 LEU A 64 -8.915 -6.526 11.393 1.00 12.54 H new ATOM 1052 N ASP A 65 -5.703 -7.589 15.439 1.00 33.44 N ATOM 1053 CA ASP A 65 -5.073 -8.530 16.358 1.00 42.01 C ATOM 1054 C ASP A 65 -6.105 -9.483 16.954 1.00 71.25 C ATOM 1055 O ASP A 65 -6.043 -10.699 16.767 1.00 33.22 O ATOM 1056 CB ASP A 65 -4.351 -7.778 17.477 1.00 70.11 C ATOM 1057 CG ASP A 65 -2.843 -7.822 17.325 1.00 52.45 C ATOM 1058 OD1 ASP A 65 -2.353 -7.595 16.199 1.00 1.40 O ATOM 1059 OD2 ASP A 65 -2.153 -8.083 18.332 1.00 11.01 O ATOM 0 H ASP A 65 -5.470 -6.611 15.612 1.00 33.44 H new ATOM 0 HA ASP A 65 -4.346 -9.116 15.796 1.00 42.01 H new ATOM 0 HB2 ASP A 65 -4.682 -6.740 17.485 1.00 70.11 H new ATOM 0 HB3 ASP A 65 -4.629 -8.209 18.439 1.00 70.11 H new ATOM 1064 N PRO A 66 -7.077 -8.921 17.687 1.00 12.11 N ATOM 1065 CA PRO A 66 -8.141 -9.702 18.325 1.00 44.15 C ATOM 1066 C PRO A 66 -9.114 -10.292 17.310 1.00 33.34 C ATOM 1067 O PRO A 66 -9.845 -11.235 17.614 1.00 54.45 O ATOM 1068 CB PRO A 66 -8.850 -8.677 19.213 1.00 40.00 C ATOM 1069 CG PRO A 66 -8.579 -7.363 18.565 1.00 73.11 C ATOM 1070 CD PRO A 66 -7.212 -7.478 17.950 1.00 23.12 C ATOM 0 HA PRO A 66 -7.747 -10.559 18.872 1.00 44.15 H new ATOM 0 HB2 PRO A 66 -9.920 -8.877 19.271 1.00 40.00 H new ATOM 0 HB3 PRO A 66 -8.465 -8.703 20.232 1.00 40.00 H new ATOM 0 HG2 PRO A 66 -9.330 -7.139 17.807 1.00 73.11 H new ATOM 0 HG3 PRO A 66 -8.612 -6.554 19.295 1.00 73.11 H new ATOM 0 HD2 PRO A 66 -7.133 -6.893 17.033 1.00 23.12 H new ATOM 0 HD3 PRO A 66 -6.436 -7.118 18.625 1.00 23.12 H new ATOM 1078 N MET A 67 -9.117 -9.733 16.105 1.00 5.01 N ATOM 1079 CA MET A 67 -10.000 -10.206 15.045 1.00 13.51 C ATOM 1080 C MET A 67 -9.446 -11.473 14.401 1.00 13.45 C ATOM 1081 O MET A 67 -10.193 -12.271 13.834 1.00 33.11 O ATOM 1082 CB MET A 67 -10.185 -9.120 13.984 1.00 51.54 C ATOM 1083 CG MET A 67 -10.911 -7.886 14.496 1.00 34.21 C ATOM 1084 SD MET A 67 -12.703 -8.094 14.516 1.00 52.13 S ATOM 1085 CE MET A 67 -13.026 -8.071 16.277 1.00 33.44 C ATOM 0 H MET A 67 -8.518 -8.952 15.838 1.00 5.01 H new ATOM 0 HA MET A 67 -10.968 -10.439 15.489 1.00 13.51 H new ATOM 0 HB2 MET A 67 -9.207 -8.824 13.604 1.00 51.54 H new ATOM 0 HB3 MET A 67 -10.741 -9.536 13.144 1.00 51.54 H new ATOM 0 HG2 MET A 67 -10.564 -7.657 15.504 1.00 34.21 H new ATOM 0 HG3 MET A 67 -10.655 -7.032 13.869 1.00 34.21 H new ATOM 0 HE1 MET A 67 -14.095 -8.189 16.452 1.00 33.44 H new ATOM 0 HE2 MET A 67 -12.487 -8.888 16.756 1.00 33.44 H new ATOM 0 HE3 MET A 67 -12.693 -7.121 16.696 1.00 33.44 H new ATOM 1095 N VAL A 68 -8.132 -11.652 14.492 1.00 23.22 N ATOM 1096 CA VAL A 68 -7.479 -12.823 13.920 1.00 65.04 C ATOM 1097 C VAL A 68 -8.106 -14.112 14.439 1.00 50.25 C ATOM 1098 O VAL A 68 -8.590 -14.948 13.675 1.00 5.43 O ATOM 1099 CB VAL A 68 -5.971 -12.835 14.235 1.00 51.12 C ATOM 1100 CG1 VAL A 68 -5.449 -14.263 14.291 1.00 45.32 C ATOM 1101 CG2 VAL A 68 -5.205 -12.017 13.206 1.00 21.25 C ATOM 0 H VAL A 68 -7.499 -11.001 14.956 1.00 23.22 H new ATOM 0 HA VAL A 68 -7.617 -12.765 12.840 1.00 65.04 H new ATOM 0 HB VAL A 68 -5.818 -12.379 15.213 1.00 51.12 H new ATOM 0 HG11 VAL A 68 -4.382 -14.252 14.515 1.00 45.32 H new ATOM 0 HG12 VAL A 68 -5.977 -14.813 15.070 1.00 45.32 H new ATOM 0 HG13 VAL A 68 -5.613 -14.748 13.329 1.00 45.32 H new ATOM 0 HG21 VAL A 68 -4.142 -12.037 13.444 1.00 21.25 H new ATOM 0 HG22 VAL A 68 -5.363 -12.441 12.214 1.00 21.25 H new ATOM 0 HG23 VAL A 68 -5.561 -10.987 13.222 1.00 21.25 H new ATOM 1111 N PRO A 69 -8.100 -14.278 15.769 1.00 2.23 N ATOM 1112 CA PRO A 69 -8.666 -15.463 16.422 1.00 43.31 C ATOM 1113 C PRO A 69 -10.187 -15.507 16.326 1.00 64.13 C ATOM 1114 O PRO A 69 -10.826 -16.426 16.837 1.00 34.42 O ATOM 1115 CB PRO A 69 -8.227 -15.308 17.880 1.00 4.23 C ATOM 1116 CG PRO A 69 -8.030 -13.843 18.063 1.00 20.43 C ATOM 1117 CD PRO A 69 -7.541 -13.323 16.740 1.00 4.55 C ATOM 0 HA PRO A 69 -8.325 -16.387 15.955 1.00 43.31 H new ATOM 0 HB2 PRO A 69 -8.983 -15.694 18.564 1.00 4.23 H new ATOM 0 HB3 PRO A 69 -7.307 -15.859 18.077 1.00 4.23 H new ATOM 0 HG2 PRO A 69 -8.962 -13.357 18.353 1.00 20.43 H new ATOM 0 HG3 PRO A 69 -7.306 -13.642 18.853 1.00 20.43 H new ATOM 0 HD2 PRO A 69 -7.892 -12.308 16.553 1.00 4.55 H new ATOM 0 HD3 PRO A 69 -6.452 -13.297 16.696 1.00 4.55 H new ATOM 1125 N THR A 70 -10.762 -14.506 15.666 1.00 75.33 N ATOM 1126 CA THR A 70 -12.209 -14.431 15.502 1.00 11.33 C ATOM 1127 C THR A 70 -12.582 -14.036 14.078 1.00 60.40 C ATOM 1128 O THR A 70 -13.595 -13.376 13.851 1.00 3.32 O ATOM 1129 CB THR A 70 -12.833 -13.419 16.483 1.00 64.20 C ATOM 1130 OG1 THR A 70 -12.481 -12.085 16.099 1.00 74.30 O ATOM 1131 CG2 THR A 70 -12.363 -13.683 17.905 1.00 64.24 C ATOM 0 H THR A 70 -10.248 -13.737 15.237 1.00 75.33 H new ATOM 0 HA THR A 70 -12.603 -15.425 15.715 1.00 11.33 H new ATOM 0 HB THR A 70 -13.916 -13.533 16.449 1.00 64.20 H new ATOM 0 HG1 THR A 70 -12.882 -11.448 16.726 1.00 74.30 H new ATOM 0 HG21 THR A 70 -12.817 -12.956 18.579 1.00 64.24 H new ATOM 0 HG22 THR A 70 -12.657 -14.689 18.205 1.00 64.24 H new ATOM 0 HG23 THR A 70 -11.278 -13.593 17.952 1.00 64.24 H new ATOM 1139 N GLY A 71 -11.756 -14.447 13.119 1.00 4.42 N ATOM 1140 CA GLY A 71 -12.017 -14.127 11.728 1.00 23.24 C ATOM 1141 C GLY A 71 -11.653 -15.264 10.794 1.00 63.02 C ATOM 1142 O GLY A 71 -11.172 -16.308 11.234 1.00 64.32 O ATOM 0 H GLY A 71 -10.911 -14.995 13.281 1.00 4.42 H new ATOM 0 HA2 GLY A 71 -13.073 -13.884 11.606 1.00 23.24 H new ATOM 0 HA3 GLY A 71 -11.451 -13.238 11.451 1.00 23.24 H new ATOM 1146 N SER A 72 -11.884 -15.062 9.501 1.00 61.11 N ATOM 1147 CA SER A 72 -11.581 -16.081 8.502 1.00 31.42 C ATOM 1148 C SER A 72 -10.497 -15.597 7.544 1.00 32.53 C ATOM 1149 O SER A 72 -9.857 -14.573 7.780 1.00 71.21 O ATOM 1150 CB SER A 72 -12.843 -16.448 7.719 1.00 12.30 C ATOM 1151 OG SER A 72 -12.980 -15.639 6.564 1.00 10.24 O ATOM 0 H SER A 72 -12.280 -14.202 9.120 1.00 61.11 H new ATOM 0 HA SER A 72 -11.214 -16.966 9.021 1.00 31.42 H new ATOM 0 HB2 SER A 72 -12.802 -17.498 7.429 1.00 12.30 H new ATOM 0 HB3 SER A 72 -13.718 -16.328 8.357 1.00 12.30 H new ATOM 0 HG SER A 72 -13.793 -15.894 6.080 1.00 10.24 H new ATOM 1157 N GLU A 73 -10.296 -16.343 6.462 1.00 34.54 N ATOM 1158 CA GLU A 73 -9.290 -15.992 5.468 1.00 0.14 C ATOM 1159 C GLU A 73 -9.446 -14.541 5.025 1.00 55.55 C ATOM 1160 O GLU A 73 -8.477 -13.783 4.991 1.00 31.02 O ATOM 1161 CB GLU A 73 -9.391 -16.921 4.256 1.00 31.11 C ATOM 1162 CG GLU A 73 -8.238 -17.906 4.146 1.00 54.43 C ATOM 1163 CD GLU A 73 -8.368 -19.065 5.114 1.00 72.14 C ATOM 1164 OE1 GLU A 73 -8.096 -18.867 6.316 1.00 24.33 O ATOM 1165 OE2 GLU A 73 -8.742 -20.170 4.670 1.00 62.42 O ATOM 0 H GLU A 73 -10.817 -17.194 6.252 1.00 34.54 H new ATOM 0 HA GLU A 73 -8.308 -16.110 5.926 1.00 0.14 H new ATOM 0 HB2 GLU A 73 -10.328 -17.476 4.311 1.00 31.11 H new ATOM 0 HB3 GLU A 73 -9.430 -16.318 3.349 1.00 31.11 H new ATOM 0 HG2 GLU A 73 -8.190 -18.292 3.128 1.00 54.43 H new ATOM 0 HG3 GLU A 73 -7.300 -17.384 4.334 1.00 54.43 H new ATOM 1172 N ASN A 74 -10.673 -14.161 4.685 1.00 54.42 N ATOM 1173 CA ASN A 74 -10.958 -12.800 4.242 1.00 33.22 C ATOM 1174 C ASN A 74 -10.455 -11.781 5.259 1.00 12.33 C ATOM 1175 O ASN A 74 -10.122 -10.648 4.908 1.00 70.42 O ATOM 1176 CB ASN A 74 -12.461 -12.618 4.021 1.00 65.33 C ATOM 1177 CG ASN A 74 -12.872 -12.904 2.589 1.00 54.31 C ATOM 1178 OD1 ASN A 74 -12.312 -13.782 1.934 1.00 44.35 O ATOM 1179 ND2 ASN A 74 -13.857 -12.160 2.097 1.00 34.24 N ATOM 0 H ASN A 74 -11.486 -14.776 4.708 1.00 54.42 H new ATOM 0 HA ASN A 74 -10.436 -12.634 3.299 1.00 33.22 H new ATOM 0 HB2 ASN A 74 -13.007 -13.280 4.692 1.00 65.33 H new ATOM 0 HB3 ASN A 74 -12.743 -11.598 4.281 1.00 65.33 H new ATOM 0 HD21 ASN A 74 -14.177 -12.306 1.140 1.00 34.24 H new ATOM 0 HD22 ASN A 74 -14.293 -11.443 2.677 1.00 34.24 H new ATOM 1186 N LEU A 75 -10.403 -12.191 6.523 1.00 54.14 N ATOM 1187 CA LEU A 75 -9.940 -11.314 7.593 1.00 43.23 C ATOM 1188 C LEU A 75 -8.424 -11.390 7.743 1.00 74.54 C ATOM 1189 O LEU A 75 -7.740 -10.367 7.784 1.00 74.23 O ATOM 1190 CB LEU A 75 -10.614 -11.688 8.914 1.00 62.44 C ATOM 1191 CG LEU A 75 -10.620 -10.607 9.995 1.00 61.41 C ATOM 1192 CD1 LEU A 75 -11.993 -10.505 10.640 1.00 1.04 C ATOM 1193 CD2 LEU A 75 -9.555 -10.896 11.043 1.00 35.41 C ATOM 0 H LEU A 75 -10.676 -13.124 6.831 1.00 54.14 H new ATOM 0 HA LEU A 75 -10.210 -10.291 7.332 1.00 43.23 H new ATOM 0 HB2 LEU A 75 -11.646 -11.970 8.705 1.00 62.44 H new ATOM 0 HB3 LEU A 75 -10.117 -12.571 9.315 1.00 62.44 H new ATOM 0 HG LEU A 75 -10.390 -9.650 9.527 1.00 61.41 H new ATOM 0 HD11 LEU A 75 -11.978 -9.731 11.407 1.00 1.04 H new ATOM 0 HD12 LEU A 75 -12.733 -10.250 9.882 1.00 1.04 H new ATOM 0 HD13 LEU A 75 -12.253 -11.461 11.095 1.00 1.04 H new ATOM 0 HD21 LEU A 75 -9.573 -10.117 11.805 1.00 35.41 H new ATOM 0 HD22 LEU A 75 -9.754 -11.862 11.507 1.00 35.41 H new ATOM 0 HD23 LEU A 75 -8.574 -10.917 10.569 1.00 35.41 H new ATOM 1205 N LYS A 76 -7.904 -12.611 7.821 1.00 0.11 N ATOM 1206 CA LYS A 76 -6.468 -12.824 7.962 1.00 14.34 C ATOM 1207 C LYS A 76 -5.706 -12.175 6.811 1.00 2.21 C ATOM 1208 O LYS A 76 -4.600 -11.666 6.995 1.00 21.31 O ATOM 1209 CB LYS A 76 -6.157 -14.321 8.015 1.00 62.15 C ATOM 1210 CG LYS A 76 -5.926 -14.845 9.422 1.00 74.22 C ATOM 1211 CD LYS A 76 -6.570 -16.207 9.621 1.00 34.21 C ATOM 1212 CE LYS A 76 -6.711 -16.546 11.097 1.00 62.21 C ATOM 1213 NZ LYS A 76 -6.499 -17.999 11.355 1.00 51.41 N ATOM 0 H LYS A 76 -8.456 -13.468 7.789 1.00 0.11 H new ATOM 0 HA LYS A 76 -6.146 -12.359 8.894 1.00 14.34 H new ATOM 0 HB2 LYS A 76 -6.982 -14.871 7.562 1.00 62.15 H new ATOM 0 HB3 LYS A 76 -5.271 -14.521 7.412 1.00 62.15 H new ATOM 0 HG2 LYS A 76 -4.855 -14.916 9.614 1.00 74.22 H new ATOM 0 HG3 LYS A 76 -6.334 -14.139 10.146 1.00 74.22 H new ATOM 0 HD2 LYS A 76 -7.552 -16.219 9.148 1.00 34.21 H new ATOM 0 HD3 LYS A 76 -5.969 -16.971 9.127 1.00 34.21 H new ATOM 0 HE2 LYS A 76 -5.990 -15.966 11.673 1.00 62.21 H new ATOM 0 HE3 LYS A 76 -7.703 -16.257 11.443 1.00 62.21 H new ATOM 0 HZ1 LYS A 76 -6.603 -18.190 12.372 1.00 51.41 H new ATOM 0 HZ2 LYS A 76 -7.202 -18.552 10.825 1.00 51.41 H new ATOM 0 HZ3 LYS A 76 -5.543 -18.270 11.048 1.00 51.41 H new ATOM 1227 N SER A 77 -6.306 -12.194 5.625 1.00 3.10 N ATOM 1228 CA SER A 77 -5.682 -11.609 4.444 1.00 65.43 C ATOM 1229 C SER A 77 -5.303 -10.154 4.694 1.00 43.31 C ATOM 1230 O SER A 77 -4.216 -9.710 4.321 1.00 2.34 O ATOM 1231 CB SER A 77 -6.625 -11.704 3.243 1.00 13.45 C ATOM 1232 OG SER A 77 -6.256 -12.770 2.386 1.00 10.22 O ATOM 0 H SER A 77 -7.223 -12.608 5.457 1.00 3.10 H new ATOM 0 HA SER A 77 -4.773 -12.170 4.228 1.00 65.43 H new ATOM 0 HB2 SER A 77 -7.648 -11.851 3.591 1.00 13.45 H new ATOM 0 HB3 SER A 77 -6.608 -10.766 2.689 1.00 13.45 H new ATOM 0 HG SER A 77 -6.876 -12.810 1.628 1.00 10.22 H new ATOM 1238 N LEU A 78 -6.207 -9.414 5.327 1.00 62.12 N ATOM 1239 CA LEU A 78 -5.968 -8.006 5.628 1.00 34.43 C ATOM 1240 C LEU A 78 -4.874 -7.852 6.680 1.00 74.30 C ATOM 1241 O LEU A 78 -3.971 -7.030 6.533 1.00 3.33 O ATOM 1242 CB LEU A 78 -7.258 -7.344 6.116 1.00 52.13 C ATOM 1243 CG LEU A 78 -7.098 -5.988 6.804 1.00 22.40 C ATOM 1244 CD1 LEU A 78 -6.416 -4.995 5.874 1.00 34.24 C ATOM 1245 CD2 LEU A 78 -8.449 -5.456 7.258 1.00 75.45 C ATOM 0 H LEU A 78 -7.112 -9.765 5.642 1.00 62.12 H new ATOM 0 HA LEU A 78 -5.637 -7.514 4.713 1.00 34.43 H new ATOM 0 HB2 LEU A 78 -7.924 -7.219 5.262 1.00 52.13 H new ATOM 0 HB3 LEU A 78 -7.752 -8.025 6.809 1.00 52.13 H new ATOM 0 HG LEU A 78 -6.469 -6.121 7.684 1.00 22.40 H new ATOM 0 HD11 LEU A 78 -6.311 -4.036 6.380 1.00 34.24 H new ATOM 0 HD12 LEU A 78 -5.430 -5.371 5.600 1.00 34.24 H new ATOM 0 HD13 LEU A 78 -7.018 -4.866 4.975 1.00 34.24 H new ATOM 0 HD21 LEU A 78 -8.315 -4.490 7.745 1.00 75.45 H new ATOM 0 HD22 LEU A 78 -9.103 -5.339 6.394 1.00 75.45 H new ATOM 0 HD23 LEU A 78 -8.899 -6.157 7.961 1.00 75.45 H new ATOM 1257 N PHE A 79 -4.962 -8.650 7.738 1.00 34.05 N ATOM 1258 CA PHE A 79 -3.980 -8.603 8.815 1.00 64.02 C ATOM 1259 C PHE A 79 -2.561 -8.668 8.258 1.00 3.42 C ATOM 1260 O PHE A 79 -1.683 -7.914 8.678 1.00 71.11 O ATOM 1261 CB PHE A 79 -4.208 -9.755 9.794 1.00 33.35 C ATOM 1262 CG PHE A 79 -3.436 -9.617 11.075 1.00 24.22 C ATOM 1263 CD1 PHE A 79 -3.441 -8.422 11.777 1.00 65.55 C ATOM 1264 CD2 PHE A 79 -2.704 -10.681 11.576 1.00 0.15 C ATOM 1265 CE1 PHE A 79 -2.731 -8.292 12.956 1.00 51.24 C ATOM 1266 CE2 PHE A 79 -1.993 -10.556 12.754 1.00 24.25 C ATOM 1267 CZ PHE A 79 -2.005 -9.360 13.445 1.00 52.24 C ATOM 0 H PHE A 79 -5.703 -9.337 7.873 1.00 34.05 H new ATOM 0 HA PHE A 79 -4.103 -7.658 9.344 1.00 64.02 H new ATOM 0 HB2 PHE A 79 -5.271 -9.819 10.025 1.00 33.35 H new ATOM 0 HB3 PHE A 79 -3.930 -10.692 9.311 1.00 33.35 H new ATOM 0 HD1 PHE A 79 -4.006 -7.583 11.399 1.00 65.55 H new ATOM 0 HD2 PHE A 79 -2.689 -11.618 11.040 1.00 0.15 H new ATOM 0 HE1 PHE A 79 -2.744 -7.356 13.494 1.00 51.24 H new ATOM 0 HE2 PHE A 79 -1.428 -11.394 13.135 1.00 24.25 H new ATOM 0 HZ PHE A 79 -1.448 -9.260 14.365 1.00 52.24 H new ATOM 1277 N ASN A 80 -2.344 -9.575 7.311 1.00 4.03 N ATOM 1278 CA ASN A 80 -1.031 -9.739 6.697 1.00 24.43 C ATOM 1279 C ASN A 80 -0.687 -8.541 5.818 1.00 21.32 C ATOM 1280 O ASN A 80 0.459 -8.089 5.785 1.00 34.31 O ATOM 1281 CB ASN A 80 -0.992 -11.024 5.866 1.00 0.21 C ATOM 1282 CG ASN A 80 -0.970 -12.271 6.729 1.00 42.43 C ATOM 1283 OD1 ASN A 80 -1.584 -12.313 7.794 1.00 54.53 O ATOM 1284 ND2 ASN A 80 -0.259 -13.294 6.270 1.00 21.24 N ATOM 0 H ASN A 80 -3.060 -10.207 6.952 1.00 4.03 H new ATOM 0 HA ASN A 80 -0.290 -9.806 7.494 1.00 24.43 H new ATOM 0 HB2 ASN A 80 -1.862 -11.055 5.209 1.00 0.21 H new ATOM 0 HB3 ASN A 80 -0.110 -11.013 5.226 1.00 0.21 H new ATOM 0 HD21 ASN A 80 -0.206 -14.160 6.807 1.00 21.24 H new ATOM 0 HD22 ASN A 80 0.234 -13.214 5.381 1.00 21.24 H new ATOM 1291 N THR A 81 -1.687 -8.028 5.108 1.00 23.40 N ATOM 1292 CA THR A 81 -1.490 -6.883 4.228 1.00 13.21 C ATOM 1293 C THR A 81 -1.125 -5.635 5.024 1.00 2.24 C ATOM 1294 O THR A 81 -0.268 -4.852 4.613 1.00 32.51 O ATOM 1295 CB THR A 81 -2.752 -6.593 3.392 1.00 25.34 C ATOM 1296 OG1 THR A 81 -3.129 -7.762 2.656 1.00 33.31 O ATOM 1297 CG2 THR A 81 -2.511 -5.439 2.433 1.00 51.30 C ATOM 0 H THR A 81 -2.641 -8.387 5.125 1.00 23.40 H new ATOM 0 HA THR A 81 -0.669 -7.137 3.558 1.00 13.21 H new ATOM 0 HB THR A 81 -3.558 -6.316 4.072 1.00 25.34 H new ATOM 0 HG1 THR A 81 -3.520 -8.421 3.267 1.00 33.31 H new ATOM 0 HG21 THR A 81 -3.415 -5.252 1.854 1.00 51.30 H new ATOM 0 HG22 THR A 81 -2.251 -4.544 2.999 1.00 51.30 H new ATOM 0 HG23 THR A 81 -1.693 -5.692 1.758 1.00 51.30 H new ATOM 1305 N VAL A 82 -1.780 -5.455 6.167 1.00 74.14 N ATOM 1306 CA VAL A 82 -1.523 -4.302 7.022 1.00 52.23 C ATOM 1307 C VAL A 82 -0.080 -4.294 7.515 1.00 64.04 C ATOM 1308 O VAL A 82 0.491 -3.236 7.779 1.00 0.22 O ATOM 1309 CB VAL A 82 -2.469 -4.283 8.238 1.00 64.00 C ATOM 1310 CG1 VAL A 82 -2.214 -3.051 9.093 1.00 53.12 C ATOM 1311 CG2 VAL A 82 -3.919 -4.337 7.784 1.00 13.34 C ATOM 0 H VAL A 82 -2.492 -6.093 6.522 1.00 74.14 H new ATOM 0 HA VAL A 82 -1.702 -3.413 6.417 1.00 52.23 H new ATOM 0 HB VAL A 82 -2.270 -5.165 8.847 1.00 64.00 H new ATOM 0 HG11 VAL A 82 -2.891 -3.054 9.947 1.00 53.12 H new ATOM 0 HG12 VAL A 82 -1.183 -3.061 9.447 1.00 53.12 H new ATOM 0 HG13 VAL A 82 -2.385 -2.154 8.498 1.00 53.12 H new ATOM 0 HG21 VAL A 82 -4.574 -4.323 8.655 1.00 13.34 H new ATOM 0 HG22 VAL A 82 -4.135 -3.475 7.153 1.00 13.34 H new ATOM 0 HG23 VAL A 82 -4.089 -5.252 7.217 1.00 13.34 H new ATOM 1321 N CYS A 83 0.504 -5.482 7.634 1.00 10.43 N ATOM 1322 CA CYS A 83 1.882 -5.612 8.096 1.00 43.22 C ATOM 1323 C CYS A 83 2.855 -5.049 7.066 1.00 64.35 C ATOM 1324 O CYS A 83 3.916 -4.532 7.416 1.00 42.02 O ATOM 1325 CB CYS A 83 2.210 -7.079 8.379 1.00 72.13 C ATOM 1326 SG CYS A 83 1.569 -7.688 9.956 1.00 43.24 S ATOM 0 H CYS A 83 0.046 -6.367 7.417 1.00 10.43 H new ATOM 0 HA CYS A 83 1.987 -5.040 9.018 1.00 43.22 H new ATOM 0 HB2 CYS A 83 1.806 -7.692 7.574 1.00 72.13 H new ATOM 0 HB3 CYS A 83 3.292 -7.207 8.365 1.00 72.13 H new ATOM 0 HG CYS A 83 0.290 -7.898 9.853 1.00 43.24 H new ATOM 1332 N VAL A 84 2.490 -5.157 5.793 1.00 52.22 N ATOM 1333 CA VAL A 84 3.331 -4.659 4.710 1.00 22.21 C ATOM 1334 C VAL A 84 3.222 -3.144 4.581 1.00 10.14 C ATOM 1335 O VAL A 84 4.230 -2.446 4.475 1.00 23.12 O ATOM 1336 CB VAL A 84 2.955 -5.306 3.364 1.00 21.14 C ATOM 1337 CG1 VAL A 84 3.774 -4.701 2.234 1.00 72.33 C ATOM 1338 CG2 VAL A 84 3.148 -6.813 3.426 1.00 21.42 C ATOM 0 H VAL A 84 1.617 -5.585 5.485 1.00 52.22 H new ATOM 0 HA VAL A 84 4.358 -4.926 4.959 1.00 22.21 H new ATOM 0 HB VAL A 84 1.902 -5.106 3.165 1.00 21.14 H new ATOM 0 HG11 VAL A 84 3.495 -5.170 1.291 1.00 72.33 H new ATOM 0 HG12 VAL A 84 3.581 -3.630 2.178 1.00 72.33 H new ATOM 0 HG13 VAL A 84 4.834 -4.869 2.423 1.00 72.33 H new ATOM 0 HG21 VAL A 84 2.878 -7.254 2.467 1.00 21.42 H new ATOM 0 HG22 VAL A 84 4.191 -7.037 3.648 1.00 21.42 H new ATOM 0 HG23 VAL A 84 2.513 -7.229 4.208 1.00 21.42 H new ATOM 1348 N ILE A 85 1.991 -2.642 4.593 1.00 45.44 N ATOM 1349 CA ILE A 85 1.750 -1.208 4.478 1.00 62.51 C ATOM 1350 C ILE A 85 2.447 -0.444 5.598 1.00 53.11 C ATOM 1351 O ILE A 85 3.270 0.435 5.345 1.00 24.11 O ATOM 1352 CB ILE A 85 0.245 -0.886 4.510 1.00 35.42 C ATOM 1353 CG1 ILE A 85 -0.492 -1.682 3.429 1.00 11.24 C ATOM 1354 CG2 ILE A 85 0.018 0.607 4.323 1.00 65.30 C ATOM 1355 CD1 ILE A 85 -0.253 -1.164 2.029 1.00 43.24 C ATOM 0 H ILE A 85 1.146 -3.206 4.681 1.00 45.44 H new ATOM 0 HA ILE A 85 2.159 -0.894 3.518 1.00 62.51 H new ATOM 0 HB ILE A 85 -0.153 -1.175 5.483 1.00 35.42 H new ATOM 0 HG12 ILE A 85 -0.179 -2.725 3.480 1.00 11.24 H new ATOM 0 HG13 ILE A 85 -1.561 -1.660 3.638 1.00 11.24 H new ATOM 0 HG21 ILE A 85 -1.051 0.818 4.348 1.00 65.30 H new ATOM 0 HG22 ILE A 85 0.515 1.154 5.124 1.00 65.30 H new ATOM 0 HG23 ILE A 85 0.427 0.920 3.362 1.00 65.30 H new ATOM 0 HD11 ILE A 85 -0.806 -1.775 1.316 1.00 43.24 H new ATOM 0 HD12 ILE A 85 -0.592 -0.130 1.961 1.00 43.24 H new ATOM 0 HD13 ILE A 85 0.812 -1.212 1.800 1.00 43.24 H new ATOM 1367 N TRP A 86 2.111 -0.784 6.837 1.00 32.50 N ATOM 1368 CA TRP A 86 2.705 -0.130 7.997 1.00 33.14 C ATOM 1369 C TRP A 86 4.222 -0.061 7.865 1.00 43.42 C ATOM 1370 O TRP A 86 4.828 0.984 8.107 1.00 2.31 O ATOM 1371 CB TRP A 86 2.326 -0.875 9.278 1.00 23.13 C ATOM 1372 CG TRP A 86 2.852 -0.224 10.522 1.00 14.14 C ATOM 1373 CD1 TRP A 86 2.176 0.629 11.348 1.00 4.11 C ATOM 1374 CD2 TRP A 86 4.162 -0.371 11.078 1.00 1.00 C ATOM 1375 NE1 TRP A 86 2.989 1.020 12.385 1.00 51.45 N ATOM 1376 CE2 TRP A 86 4.213 0.420 12.242 1.00 34.13 C ATOM 1377 CE3 TRP A 86 5.298 -1.096 10.708 1.00 61.12 C ATOM 1378 CZ2 TRP A 86 5.353 0.506 13.035 1.00 43.12 C ATOM 1379 CZ3 TRP A 86 6.431 -1.009 11.495 1.00 35.33 C ATOM 1380 CH2 TRP A 86 6.451 -0.213 12.649 1.00 72.54 C ATOM 0 H TRP A 86 1.430 -1.509 7.064 1.00 32.50 H new ATOM 0 HA TRP A 86 2.316 0.887 8.048 1.00 33.14 H new ATOM 0 HB2 TRP A 86 1.240 -0.942 9.343 1.00 23.13 H new ATOM 0 HB3 TRP A 86 2.706 -1.895 9.222 1.00 23.13 H new ATOM 0 HD1 TRP A 86 1.154 0.949 11.207 1.00 4.11 H new ATOM 0 HE1 TRP A 86 2.724 1.654 13.139 1.00 51.45 H new ATOM 0 HE3 TRP A 86 5.291 -1.714 9.822 1.00 61.12 H new ATOM 0 HZ2 TRP A 86 5.370 1.119 13.924 1.00 43.12 H new ATOM 0 HZ3 TRP A 86 7.315 -1.563 11.216 1.00 35.33 H new ATOM 0 HH2 TRP A 86 7.351 -0.167 13.245 1.00 72.54 H new ATOM 1391 N CYS A 87 4.831 -1.177 7.480 1.00 33.43 N ATOM 1392 CA CYS A 87 6.278 -1.243 7.317 1.00 53.53 C ATOM 1393 C CYS A 87 6.776 -0.111 6.423 1.00 34.31 C ATOM 1394 O CYS A 87 7.736 0.582 6.759 1.00 53.35 O ATOM 1395 CB CYS A 87 6.686 -2.593 6.725 1.00 12.13 C ATOM 1396 SG CYS A 87 7.263 -3.791 7.949 1.00 3.53 S ATOM 0 H CYS A 87 4.344 -2.049 7.275 1.00 33.43 H new ATOM 0 HA CYS A 87 6.735 -1.134 8.301 1.00 53.53 H new ATOM 0 HB2 CYS A 87 5.835 -3.016 6.192 1.00 12.13 H new ATOM 0 HB3 CYS A 87 7.475 -2.432 5.990 1.00 12.13 H new ATOM 0 HG CYS A 87 7.583 -4.901 7.353 1.00 3.53 H new ATOM 1402 N ILE A 88 6.117 0.068 5.283 1.00 14.21 N ATOM 1403 CA ILE A 88 6.493 1.115 4.340 1.00 15.24 C ATOM 1404 C ILE A 88 6.570 2.474 5.030 1.00 73.13 C ATOM 1405 O ILE A 88 7.440 3.289 4.724 1.00 63.13 O ATOM 1406 CB ILE A 88 5.497 1.202 3.168 1.00 33.15 C ATOM 1407 CG1 ILE A 88 5.432 -0.135 2.427 1.00 52.13 C ATOM 1408 CG2 ILE A 88 5.893 2.323 2.219 1.00 23.03 C ATOM 1409 CD1 ILE A 88 4.158 -0.324 1.633 1.00 52.45 C ATOM 0 H ILE A 88 5.321 -0.498 4.990 1.00 14.21 H new ATOM 0 HA ILE A 88 7.476 0.851 3.951 1.00 15.24 H new ATOM 0 HB ILE A 88 4.507 1.424 3.566 1.00 33.15 H new ATOM 0 HG12 ILE A 88 6.285 -0.209 1.753 1.00 52.13 H new ATOM 0 HG13 ILE A 88 5.524 -0.946 3.149 1.00 52.13 H new ATOM 0 HG21 ILE A 88 5.180 2.372 1.396 1.00 23.03 H new ATOM 0 HG22 ILE A 88 5.893 3.271 2.756 1.00 23.03 H new ATOM 0 HG23 ILE A 88 6.890 2.130 1.824 1.00 23.03 H new ATOM 0 HD11 ILE A 88 4.181 -1.293 1.134 1.00 52.45 H new ATOM 0 HD12 ILE A 88 3.301 -0.282 2.305 1.00 52.45 H new ATOM 0 HD13 ILE A 88 4.073 0.466 0.887 1.00 52.45 H new ATOM 1421 N HIS A 89 5.653 2.710 5.963 1.00 53.04 N ATOM 1422 CA HIS A 89 5.617 3.969 6.699 1.00 45.44 C ATOM 1423 C HIS A 89 6.717 4.011 7.756 1.00 72.20 C ATOM 1424 O HIS A 89 7.221 5.105 8.006 1.00 55.22 O ATOM 1425 CB HIS A 89 4.251 4.161 7.359 1.00 23.50 C ATOM 1426 CG HIS A 89 3.119 4.241 6.381 1.00 64.42 C ATOM 1427 ND1 HIS A 89 3.045 5.199 5.392 1.00 24.40 N ATOM 1428 CD2 HIS A 89 2.013 3.474 6.243 1.00 12.24 C ATOM 1429 CE1 HIS A 89 1.941 5.018 4.689 1.00 1.42 C ATOM 1430 NE2 HIS A 89 1.297 3.977 5.185 1.00 13.15 N ATOM 0 H HIS A 89 4.925 2.046 6.227 1.00 53.04 H new ATOM 0 HA HIS A 89 5.786 4.780 5.991 1.00 45.44 H new ATOM 0 HB2 HIS A 89 4.069 3.334 8.046 1.00 23.50 H new ATOM 0 HB3 HIS A 89 4.270 5.073 7.956 1.00 23.50 H new ATOM 0 HD2 HIS A 89 1.743 2.624 6.852 1.00 12.24 H new ATOM 0 HE1 HIS A 89 1.620 5.619 3.851 1.00 1.42 H new ATOM 0 HE2 HIS A 89 0.412 3.607 4.838 1.00 13.15 H new ATOM 1438 N ALA A 90 7.089 2.888 8.362 1.00 31.00 N ATOM 1439 CA ALA A 90 8.135 2.879 9.378 1.00 73.24 C ATOM 1440 C ALA A 90 9.514 2.731 8.743 1.00 61.43 C ATOM 1441 O ALA A 90 10.507 2.521 9.437 1.00 33.12 O ATOM 1442 CB ALA A 90 7.890 1.760 10.378 1.00 33.20 C ATOM 0 H ALA A 90 6.682 1.973 8.167 1.00 31.00 H new ATOM 0 HA ALA A 90 8.105 3.833 9.904 1.00 73.24 H new ATOM 0 HB1 ALA A 90 8.679 1.765 11.130 1.00 33.20 H new ATOM 0 HB2 ALA A 90 6.925 1.910 10.862 1.00 33.20 H new ATOM 0 HB3 ALA A 90 7.890 0.802 9.859 1.00 33.20 H new ATOM 1448 N GLU A 91 9.566 2.840 7.419 1.00 52.04 N ATOM 1449 CA GLU A 91 10.824 2.716 6.692 1.00 74.14 C ATOM 1450 C GLU A 91 11.403 1.311 6.841 1.00 15.43 C ATOM 1451 O GLU A 91 12.544 1.144 7.267 1.00 64.53 O ATOM 1452 CB GLU A 91 11.832 3.751 7.192 1.00 10.00 C ATOM 1453 CG GLU A 91 12.841 4.177 6.139 1.00 52.30 C ATOM 1454 CD GLU A 91 13.816 5.219 6.653 1.00 50.11 C ATOM 1455 OE1 GLU A 91 13.475 6.420 6.613 1.00 22.13 O ATOM 1456 OE2 GLU A 91 14.919 4.833 7.095 1.00 41.34 O ATOM 0 H GLU A 91 8.753 3.014 6.829 1.00 52.04 H new ATOM 0 HA GLU A 91 10.623 2.897 5.636 1.00 74.14 H new ATOM 0 HB2 GLU A 91 11.293 4.631 7.543 1.00 10.00 H new ATOM 0 HB3 GLU A 91 12.366 3.341 8.049 1.00 10.00 H new ATOM 0 HG2 GLU A 91 13.396 3.303 5.798 1.00 52.30 H new ATOM 0 HG3 GLU A 91 12.311 4.576 5.274 1.00 52.30 H new ATOM 1463 N GLU A 92 10.605 0.308 6.488 1.00 1.31 N ATOM 1464 CA GLU A 92 11.038 -1.081 6.585 1.00 40.21 C ATOM 1465 C GLU A 92 10.913 -1.785 5.237 1.00 44.54 C ATOM 1466 O GLU A 92 9.850 -1.778 4.615 1.00 0.31 O ATOM 1467 CB GLU A 92 10.213 -1.823 7.638 1.00 74.42 C ATOM 1468 CG GLU A 92 10.645 -1.533 9.065 1.00 13.03 C ATOM 1469 CD GLU A 92 12.019 -2.091 9.383 1.00 15.33 C ATOM 1470 OE1 GLU A 92 13.021 -1.492 8.940 1.00 55.44 O ATOM 1471 OE2 GLU A 92 12.092 -3.128 10.076 1.00 13.51 O ATOM 0 H GLU A 92 9.657 0.431 6.133 1.00 1.31 H new ATOM 0 HA GLU A 92 12.086 -1.088 6.884 1.00 40.21 H new ATOM 0 HB2 GLU A 92 9.164 -1.551 7.523 1.00 74.42 H new ATOM 0 HB3 GLU A 92 10.287 -2.895 7.456 1.00 74.42 H new ATOM 0 HG2 GLU A 92 10.648 -0.455 9.228 1.00 13.03 H new ATOM 0 HG3 GLU A 92 9.916 -1.958 9.755 1.00 13.03 H new ATOM 1478 N LYS A 93 12.008 -2.391 4.789 1.00 50.53 N ATOM 1479 CA LYS A 93 12.024 -3.100 3.515 1.00 34.03 C ATOM 1480 C LYS A 93 11.925 -4.607 3.731 1.00 71.12 C ATOM 1481 O LYS A 93 12.686 -5.185 4.507 1.00 13.31 O ATOM 1482 CB LYS A 93 13.300 -2.768 2.739 1.00 72.21 C ATOM 1483 CG LYS A 93 14.575 -3.045 3.517 1.00 73.43 C ATOM 1484 CD LYS A 93 15.497 -3.986 2.758 1.00 13.42 C ATOM 1485 CE LYS A 93 16.665 -4.437 3.621 1.00 3.13 C ATOM 1486 NZ LYS A 93 17.926 -4.540 2.837 1.00 22.34 N ATOM 0 H LYS A 93 12.896 -2.405 5.290 1.00 50.53 H new ATOM 0 HA LYS A 93 11.160 -2.776 2.936 1.00 34.03 H new ATOM 0 HB2 LYS A 93 13.315 -3.347 1.816 1.00 72.21 H new ATOM 0 HB3 LYS A 93 13.279 -1.716 2.455 1.00 72.21 H new ATOM 0 HG2 LYS A 93 15.093 -2.107 3.714 1.00 73.43 H new ATOM 0 HG3 LYS A 93 14.325 -3.481 4.484 1.00 73.43 H new ATOM 0 HD2 LYS A 93 14.934 -4.857 2.422 1.00 13.42 H new ATOM 0 HD3 LYS A 93 15.874 -3.487 1.866 1.00 13.42 H new ATOM 0 HE2 LYS A 93 16.804 -3.733 4.441 1.00 3.13 H new ATOM 0 HE3 LYS A 93 16.435 -5.404 4.067 1.00 3.13 H new ATOM 0 HZ1 LYS A 93 18.698 -4.850 3.461 1.00 22.34 H new ATOM 0 HZ2 LYS A 93 17.802 -5.231 2.070 1.00 22.34 H new ATOM 0 HZ3 LYS A 93 18.160 -3.611 2.432 1.00 22.34 H new ATOM 1500 N VAL A 94 10.982 -5.239 3.038 1.00 43.14 N ATOM 1501 CA VAL A 94 10.786 -6.679 3.150 1.00 14.55 C ATOM 1502 C VAL A 94 10.793 -7.344 1.779 1.00 35.10 C ATOM 1503 O VAL A 94 10.115 -6.894 0.855 1.00 30.31 O ATOM 1504 CB VAL A 94 9.461 -7.010 3.863 1.00 11.12 C ATOM 1505 CG1 VAL A 94 9.494 -6.525 5.304 1.00 13.13 C ATOM 1506 CG2 VAL A 94 8.286 -6.401 3.113 1.00 44.14 C ATOM 0 H VAL A 94 10.342 -4.775 2.393 1.00 43.14 H new ATOM 0 HA VAL A 94 11.616 -7.066 3.741 1.00 14.55 H new ATOM 0 HB VAL A 94 9.334 -8.093 3.873 1.00 11.12 H new ATOM 0 HG11 VAL A 94 8.550 -6.768 5.791 1.00 13.13 H new ATOM 0 HG12 VAL A 94 10.312 -7.014 5.834 1.00 13.13 H new ATOM 0 HG13 VAL A 94 9.644 -5.446 5.321 1.00 13.13 H new ATOM 0 HG21 VAL A 94 7.358 -6.645 3.631 1.00 44.14 H new ATOM 0 HG22 VAL A 94 8.404 -5.318 3.070 1.00 44.14 H new ATOM 0 HG23 VAL A 94 8.253 -6.803 2.100 1.00 44.14 H new ATOM 1516 N LYS A 95 11.563 -8.419 1.653 1.00 64.31 N ATOM 1517 CA LYS A 95 11.658 -9.150 0.395 1.00 72.23 C ATOM 1518 C LYS A 95 10.308 -9.745 0.008 1.00 50.02 C ATOM 1519 O LYS A 95 9.831 -9.551 -1.111 1.00 31.55 O ATOM 1520 CB LYS A 95 12.705 -10.261 0.504 1.00 54.32 C ATOM 1521 CG LYS A 95 14.057 -9.883 -0.076 1.00 55.21 C ATOM 1522 CD LYS A 95 14.230 -10.423 -1.485 1.00 32.33 C ATOM 1523 CE LYS A 95 15.636 -10.172 -2.010 1.00 1.33 C ATOM 1524 NZ LYS A 95 16.523 -11.351 -1.806 1.00 13.05 N ATOM 0 H LYS A 95 12.131 -8.804 2.408 1.00 64.31 H new ATOM 0 HA LYS A 95 11.962 -8.448 -0.382 1.00 72.23 H new ATOM 0 HB2 LYS A 95 12.831 -10.528 1.553 1.00 54.32 H new ATOM 0 HB3 LYS A 95 12.335 -11.149 -0.008 1.00 54.32 H new ATOM 0 HG2 LYS A 95 14.159 -8.798 -0.086 1.00 55.21 H new ATOM 0 HG3 LYS A 95 14.850 -10.272 0.563 1.00 55.21 H new ATOM 0 HD2 LYS A 95 14.023 -11.493 -1.494 1.00 32.33 H new ATOM 0 HD3 LYS A 95 13.504 -9.953 -2.148 1.00 32.33 H new ATOM 0 HE2 LYS A 95 15.590 -9.932 -3.072 1.00 1.33 H new ATOM 0 HE3 LYS A 95 16.063 -9.305 -1.506 1.00 1.33 H new ATOM 0 HZ1 LYS A 95 17.471 -11.140 -2.177 1.00 13.05 H new ATOM 0 HZ2 LYS A 95 16.588 -11.565 -0.790 1.00 13.05 H new ATOM 0 HZ3 LYS A 95 16.130 -12.172 -2.308 1.00 13.05 H new ATOM 1538 N ASP A 96 9.697 -10.469 0.939 1.00 12.10 N ATOM 1539 CA ASP A 96 8.399 -11.089 0.696 1.00 65.31 C ATOM 1540 C ASP A 96 7.457 -10.859 1.874 1.00 44.03 C ATOM 1541 O ASP A 96 7.897 -10.671 3.008 1.00 5.32 O ATOM 1542 CB ASP A 96 8.567 -12.590 0.447 1.00 2.44 C ATOM 1543 CG ASP A 96 9.328 -13.280 1.563 1.00 1.03 C ATOM 1544 OD1 ASP A 96 8.792 -13.357 2.688 1.00 15.12 O ATOM 1545 OD2 ASP A 96 10.459 -13.744 1.310 1.00 25.10 O ATOM 0 H ASP A 96 10.079 -10.641 1.869 1.00 12.10 H new ATOM 0 HA ASP A 96 7.963 -10.627 -0.190 1.00 65.31 H new ATOM 0 HB2 ASP A 96 7.585 -13.050 0.342 1.00 2.44 H new ATOM 0 HB3 ASP A 96 9.093 -12.743 -0.496 1.00 2.44 H new ATOM 1550 N THR A 97 6.158 -10.874 1.596 1.00 11.11 N ATOM 1551 CA THR A 97 5.152 -10.663 2.631 1.00 24.31 C ATOM 1552 C THR A 97 5.458 -11.498 3.870 1.00 14.31 C ATOM 1553 O THR A 97 5.474 -10.981 4.987 1.00 21.40 O ATOM 1554 CB THR A 97 3.742 -11.016 2.123 1.00 13.43 C ATOM 1555 OG1 THR A 97 3.365 -10.126 1.067 1.00 43.02 O ATOM 1556 CG2 THR A 97 2.724 -10.931 3.251 1.00 43.51 C ATOM 0 H THR A 97 5.777 -11.030 0.663 1.00 11.11 H new ATOM 0 HA THR A 97 5.181 -9.605 2.892 1.00 24.31 H new ATOM 0 HB THR A 97 3.761 -12.039 1.747 1.00 13.43 H new ATOM 0 HG1 THR A 97 2.658 -9.525 1.382 1.00 43.02 H new ATOM 0 HG21 THR A 97 1.735 -11.184 2.869 1.00 43.51 H new ATOM 0 HG22 THR A 97 2.998 -11.630 4.041 1.00 43.51 H new ATOM 0 HG23 THR A 97 2.709 -9.918 3.652 1.00 43.51 H new ATOM 1564 N GLU A 98 5.699 -12.789 3.665 1.00 1.41 N ATOM 1565 CA GLU A 98 6.003 -13.693 4.767 1.00 13.33 C ATOM 1566 C GLU A 98 7.102 -13.117 5.655 1.00 24.42 C ATOM 1567 O GLU A 98 7.147 -13.379 6.856 1.00 34.34 O ATOM 1568 CB GLU A 98 6.429 -15.061 4.231 1.00 22.50 C ATOM 1569 CG GLU A 98 5.309 -15.819 3.538 1.00 11.04 C ATOM 1570 CD GLU A 98 4.165 -16.155 4.476 1.00 42.00 C ATOM 1571 OE1 GLU A 98 3.387 -15.238 4.814 1.00 40.05 O ATOM 1572 OE2 GLU A 98 4.049 -17.333 4.872 1.00 33.01 O ATOM 0 H GLU A 98 5.690 -13.232 2.746 1.00 1.41 H new ATOM 0 HA GLU A 98 5.100 -13.811 5.366 1.00 13.33 H new ATOM 0 HB2 GLU A 98 7.253 -14.927 3.530 1.00 22.50 H new ATOM 0 HB3 GLU A 98 6.807 -15.664 5.057 1.00 22.50 H new ATOM 0 HG2 GLU A 98 4.930 -15.222 2.708 1.00 11.04 H new ATOM 0 HG3 GLU A 98 5.708 -16.740 3.112 1.00 11.04 H new ATOM 1579 N GLY A 99 7.990 -12.332 5.054 1.00 44.13 N ATOM 1580 CA GLY A 99 9.079 -11.732 5.805 1.00 43.35 C ATOM 1581 C GLY A 99 8.642 -10.505 6.580 1.00 33.40 C ATOM 1582 O GLY A 99 9.154 -10.234 7.665 1.00 21.41 O ATOM 0 H GLY A 99 7.976 -12.100 4.061 1.00 44.13 H new ATOM 0 HA2 GLY A 99 9.488 -12.468 6.497 1.00 43.35 H new ATOM 0 HA3 GLY A 99 9.881 -11.458 5.120 1.00 43.35 H new ATOM 1586 N ALA A 100 7.691 -9.762 6.022 1.00 20.32 N ATOM 1587 CA ALA A 100 7.185 -8.558 6.670 1.00 74.14 C ATOM 1588 C ALA A 100 6.400 -8.903 7.930 1.00 15.34 C ATOM 1589 O ALA A 100 6.439 -8.169 8.919 1.00 33.01 O ATOM 1590 CB ALA A 100 6.317 -7.766 5.704 1.00 13.42 C ATOM 0 H ALA A 100 7.256 -9.973 5.124 1.00 20.32 H new ATOM 0 HA ALA A 100 8.037 -7.945 6.962 1.00 74.14 H new ATOM 0 HB1 ALA A 100 5.945 -6.869 6.200 1.00 13.42 H new ATOM 0 HB2 ALA A 100 6.908 -7.481 4.834 1.00 13.42 H new ATOM 0 HB3 ALA A 100 5.475 -8.380 5.385 1.00 13.42 H new ATOM 1596 N LYS A 101 5.685 -10.021 7.890 1.00 32.43 N ATOM 1597 CA LYS A 101 4.888 -10.464 9.029 1.00 64.32 C ATOM 1598 C LYS A 101 5.785 -10.844 10.204 1.00 71.33 C ATOM 1599 O LYS A 101 5.349 -10.838 11.354 1.00 32.02 O ATOM 1600 CB LYS A 101 4.014 -11.656 8.634 1.00 22.02 C ATOM 1601 CG LYS A 101 2.577 -11.541 9.113 1.00 24.53 C ATOM 1602 CD LYS A 101 1.800 -12.821 8.857 1.00 21.34 C ATOM 1603 CE LYS A 101 1.559 -13.594 10.145 1.00 34.10 C ATOM 1604 NZ LYS A 101 1.558 -15.066 9.919 1.00 43.55 N ATOM 0 H LYS A 101 5.640 -10.639 7.080 1.00 32.43 H new ATOM 0 HA LYS A 101 4.246 -9.638 9.336 1.00 64.32 H new ATOM 0 HB2 LYS A 101 4.020 -11.756 7.549 1.00 22.02 H new ATOM 0 HB3 LYS A 101 4.452 -12.568 9.041 1.00 22.02 H new ATOM 0 HG2 LYS A 101 2.565 -11.314 10.179 1.00 24.53 H new ATOM 0 HG3 LYS A 101 2.088 -10.710 8.605 1.00 24.53 H new ATOM 0 HD2 LYS A 101 0.844 -12.581 8.391 1.00 21.34 H new ATOM 0 HD3 LYS A 101 2.349 -13.447 8.153 1.00 21.34 H new ATOM 0 HE2 LYS A 101 2.331 -13.339 10.871 1.00 34.10 H new ATOM 0 HE3 LYS A 101 0.604 -13.292 10.576 1.00 34.10 H new ATOM 0 HZ1 LYS A 101 1.391 -15.556 10.821 1.00 43.55 H new ATOM 0 HZ2 LYS A 101 0.805 -15.313 9.246 1.00 43.55 H new ATOM 0 HZ3 LYS A 101 2.478 -15.358 9.532 1.00 43.55 H new ATOM 1618 N GLN A 102 7.038 -11.172 9.904 1.00 33.33 N ATOM 1619 CA GLN A 102 7.993 -11.553 10.937 1.00 65.41 C ATOM 1620 C GLN A 102 8.629 -10.321 11.572 1.00 24.43 C ATOM 1621 O GLN A 102 8.944 -10.318 12.763 1.00 21.41 O ATOM 1622 CB GLN A 102 9.079 -12.456 10.348 1.00 5.10 C ATOM 1623 CG GLN A 102 10.037 -13.015 11.388 1.00 44.21 C ATOM 1624 CD GLN A 102 9.543 -14.311 11.999 1.00 72.34 C ATOM 1625 OE1 GLN A 102 9.899 -15.400 11.546 1.00 2.12 O ATOM 1626 NE2 GLN A 102 8.718 -14.203 13.034 1.00 54.43 N ATOM 0 H GLN A 102 7.414 -11.181 8.956 1.00 33.33 H new ATOM 0 HA GLN A 102 7.454 -12.100 11.711 1.00 65.41 H new ATOM 0 HB2 GLN A 102 8.605 -13.284 9.821 1.00 5.10 H new ATOM 0 HB3 GLN A 102 9.648 -11.892 9.609 1.00 5.10 H new ATOM 0 HG2 GLN A 102 11.010 -13.183 10.927 1.00 44.21 H new ATOM 0 HG3 GLN A 102 10.181 -12.277 12.177 1.00 44.21 H new ATOM 0 HE21 GLN A 102 8.449 -13.281 13.377 1.00 54.43 H new ATOM 0 HE22 GLN A 102 8.354 -15.042 13.486 1.00 54.43 H new ATOM 1635 N ILE A 103 8.816 -9.278 10.772 1.00 71.33 N ATOM 1636 CA ILE A 103 9.413 -8.041 11.256 1.00 42.23 C ATOM 1637 C ILE A 103 8.427 -7.253 12.113 1.00 1.33 C ATOM 1638 O ILE A 103 8.758 -6.815 13.216 1.00 64.42 O ATOM 1639 CB ILE A 103 9.888 -7.151 10.092 1.00 4.43 C ATOM 1640 CG1 ILE A 103 10.919 -7.895 9.241 1.00 54.04 C ATOM 1641 CG2 ILE A 103 10.472 -5.851 10.624 1.00 50.45 C ATOM 1642 CD1 ILE A 103 11.304 -7.159 7.977 1.00 10.44 C ATOM 0 H ILE A 103 8.562 -9.265 9.784 1.00 71.33 H new ATOM 0 HA ILE A 103 10.274 -8.323 11.862 1.00 42.23 H new ATOM 0 HB ILE A 103 9.030 -6.911 9.464 1.00 4.43 H new ATOM 0 HG12 ILE A 103 11.814 -8.068 9.838 1.00 54.04 H new ATOM 0 HG13 ILE A 103 10.520 -8.874 8.975 1.00 54.04 H new ATOM 0 HG21 ILE A 103 10.803 -5.233 9.790 1.00 50.45 H new ATOM 0 HG22 ILE A 103 9.711 -5.316 11.192 1.00 50.45 H new ATOM 0 HG23 ILE A 103 11.321 -6.071 11.272 1.00 50.45 H new ATOM 0 HD11 ILE A 103 12.038 -7.745 7.424 1.00 10.44 H new ATOM 0 HD12 ILE A 103 10.419 -7.010 7.359 1.00 10.44 H new ATOM 0 HD13 ILE A 103 11.733 -6.191 8.236 1.00 10.44 H new ATOM 1654 N VAL A 104 7.214 -7.078 11.599 1.00 4.13 N ATOM 1655 CA VAL A 104 6.178 -6.345 12.318 1.00 32.45 C ATOM 1656 C VAL A 104 5.812 -7.048 13.621 1.00 34.44 C ATOM 1657 O VAL A 104 5.738 -6.421 14.678 1.00 44.24 O ATOM 1658 CB VAL A 104 4.909 -6.183 11.462 1.00 51.24 C ATOM 1659 CG1 VAL A 104 3.821 -5.469 12.250 1.00 33.20 C ATOM 1660 CG2 VAL A 104 5.227 -5.432 10.177 1.00 11.11 C ATOM 0 H VAL A 104 6.924 -7.433 10.688 1.00 4.13 H new ATOM 0 HA VAL A 104 6.585 -5.359 12.542 1.00 32.45 H new ATOM 0 HB VAL A 104 4.541 -7.174 11.196 1.00 51.24 H new ATOM 0 HG11 VAL A 104 2.932 -5.363 11.629 1.00 33.20 H new ATOM 0 HG12 VAL A 104 3.576 -6.049 13.139 1.00 33.20 H new ATOM 0 HG13 VAL A 104 4.175 -4.482 12.547 1.00 33.20 H new ATOM 0 HG21 VAL A 104 4.319 -5.326 9.583 1.00 11.11 H new ATOM 0 HG22 VAL A 104 5.619 -4.444 10.420 1.00 11.11 H new ATOM 0 HG23 VAL A 104 5.971 -5.987 9.606 1.00 11.11 H new ATOM 1670 N ARG A 105 5.583 -8.355 13.538 1.00 23.21 N ATOM 1671 CA ARG A 105 5.224 -9.144 14.710 1.00 60.14 C ATOM 1672 C ARG A 105 6.223 -8.922 15.842 1.00 11.33 C ATOM 1673 O ARG A 105 5.836 -8.700 16.990 1.00 43.35 O ATOM 1674 CB ARG A 105 5.164 -10.630 14.353 1.00 51.14 C ATOM 1675 CG ARG A 105 4.642 -11.508 15.478 1.00 4.20 C ATOM 1676 CD ARG A 105 3.887 -12.714 14.941 1.00 4.42 C ATOM 1677 NE ARG A 105 3.632 -13.707 15.981 1.00 63.24 N ATOM 1678 CZ ARG A 105 2.707 -13.563 16.923 1.00 71.41 C ATOM 1679 NH1 ARG A 105 1.952 -12.474 16.956 1.00 50.13 N ATOM 1680 NH2 ARG A 105 2.534 -14.512 17.835 1.00 61.02 N ATOM 0 H ARG A 105 5.640 -8.889 12.671 1.00 23.21 H new ATOM 0 HA ARG A 105 4.240 -8.819 15.048 1.00 60.14 H new ATOM 0 HB2 ARG A 105 4.527 -10.759 13.478 1.00 51.14 H new ATOM 0 HB3 ARG A 105 6.162 -10.968 14.073 1.00 51.14 H new ATOM 0 HG2 ARG A 105 5.475 -11.845 16.095 1.00 4.20 H new ATOM 0 HG3 ARG A 105 3.985 -10.923 16.122 1.00 4.20 H new ATOM 0 HD2 ARG A 105 2.940 -12.387 14.512 1.00 4.42 H new ATOM 0 HD3 ARG A 105 4.461 -13.172 14.135 1.00 4.42 H new ATOM 0 HE ARG A 105 4.195 -14.558 15.984 1.00 63.24 H new ATOM 0 HH11 ARG A 105 2.080 -11.743 16.256 1.00 50.13 H new ATOM 0 HH12 ARG A 105 1.243 -12.367 17.681 1.00 50.13 H new ATOM 0 HH21 ARG A 105 3.112 -15.352 17.813 1.00 61.02 H new ATOM 0 HH22 ARG A 105 1.823 -14.401 18.558 1.00 61.02 H new ATOM 1694 N ARG A 106 7.509 -8.986 15.510 1.00 14.41 N ATOM 1695 CA ARG A 106 8.563 -8.793 16.499 1.00 52.31 C ATOM 1696 C ARG A 106 8.599 -7.346 16.981 1.00 52.10 C ATOM 1697 O ARG A 106 8.826 -7.079 18.161 1.00 14.14 O ATOM 1698 CB ARG A 106 9.921 -9.179 15.910 1.00 32.21 C ATOM 1699 CG ARG A 106 10.424 -10.535 16.377 1.00 35.32 C ATOM 1700 CD ARG A 106 11.926 -10.520 16.615 1.00 41.04 C ATOM 1701 NE ARG A 106 12.441 -11.846 16.942 1.00 23.42 N ATOM 1702 CZ ARG A 106 13.710 -12.085 17.255 1.00 62.31 C ATOM 1703 NH1 ARG A 106 14.588 -11.093 17.283 1.00 51.41 N ATOM 1704 NH2 ARG A 106 14.102 -13.320 17.541 1.00 44.10 N ATOM 0 H ARG A 106 7.845 -9.170 14.565 1.00 14.41 H new ATOM 0 HA ARG A 106 8.348 -9.437 17.352 1.00 52.31 H new ATOM 0 HB2 ARG A 106 9.848 -9.183 14.822 1.00 32.21 H new ATOM 0 HB3 ARG A 106 10.653 -8.417 16.178 1.00 32.21 H new ATOM 0 HG2 ARG A 106 9.912 -10.817 17.297 1.00 35.32 H new ATOM 0 HG3 ARG A 106 10.180 -11.291 15.631 1.00 35.32 H new ATOM 0 HD2 ARG A 106 12.430 -10.145 15.725 1.00 41.04 H new ATOM 0 HD3 ARG A 106 12.158 -9.831 17.427 1.00 41.04 H new ATOM 0 HE ARG A 106 11.791 -12.632 16.930 1.00 23.42 H new ATOM 0 HH11 ARG A 106 14.290 -10.142 17.064 1.00 51.41 H new ATOM 0 HH12 ARG A 106 15.561 -11.280 17.524 1.00 51.41 H new ATOM 0 HH21 ARG A 106 13.429 -14.086 17.521 1.00 44.10 H new ATOM 0 HH22 ARG A 106 15.076 -13.503 17.781 1.00 44.10 H new ATOM 1718 N HIS A 107 8.374 -6.414 16.059 1.00 3.04 N ATOM 1719 CA HIS A 107 8.381 -4.993 16.389 1.00 11.34 C ATOM 1720 C HIS A 107 7.255 -4.658 17.363 1.00 52.31 C ATOM 1721 O HIS A 107 7.432 -3.708 18.128 1.00 73.02 O ATOM 1722 CB HIS A 107 8.239 -4.152 15.120 1.00 11.33 C ATOM 1723 CG HIS A 107 9.512 -4.027 14.340 1.00 5.34 C ATOM 1724 ND1 HIS A 107 10.760 -4.173 14.908 1.00 61.33 N ATOM 1725 CD2 HIS A 107 9.725 -3.769 13.029 1.00 41.02 C ATOM 1726 CE1 HIS A 107 11.686 -4.009 13.979 1.00 32.33 C ATOM 1727 NE2 HIS A 107 11.083 -3.764 12.830 1.00 44.33 N ATOM 0 H HIS A 107 8.185 -6.618 15.078 1.00 3.04 H new ATOM 0 HA HIS A 107 9.333 -4.760 16.865 1.00 11.34 H new ATOM 0 HB2 HIS A 107 7.474 -4.596 14.483 1.00 11.33 H new ATOM 0 HB3 HIS A 107 7.889 -3.156 15.391 1.00 11.33 H new ATOM 0 HD2 HIS A 107 8.967 -3.599 12.279 1.00 41.02 H new ATOM 0 HE1 HIS A 107 12.753 -4.066 14.133 1.00 32.33 H new ATOM 0 HE2 HIS A 107 11.551 -3.598 11.939 1.00 44.33 H new ATOM 1735 N LEU A 108 6.142 -5.384 17.357 1.00 25.23 N ATOM 1736 CA LEU A 108 5.040 -5.101 18.270 1.00 73.15 C ATOM 1737 C LEU A 108 5.350 -5.610 19.674 1.00 70.53 C ATOM 1738 O LEU A 108 5.064 -4.940 20.666 1.00 74.43 O ATOM 1739 CB LEU A 108 3.749 -5.742 17.756 1.00 63.53 C ATOM 1740 CG LEU A 108 3.117 -5.087 16.527 1.00 12.42 C ATOM 1741 CD1 LEU A 108 1.917 -5.891 16.052 1.00 14.42 C ATOM 1742 CD2 LEU A 108 2.713 -3.653 16.838 1.00 40.24 C ATOM 0 H LEU A 108 5.979 -6.172 16.731 1.00 25.23 H new ATOM 0 HA LEU A 108 4.909 -4.020 18.317 1.00 73.15 H new ATOM 0 HB2 LEU A 108 3.954 -6.786 17.521 1.00 63.53 H new ATOM 0 HB3 LEU A 108 3.017 -5.735 18.564 1.00 63.53 H new ATOM 0 HG LEU A 108 3.856 -5.070 15.726 1.00 12.42 H new ATOM 0 HD11 LEU A 108 1.480 -5.410 15.177 1.00 14.42 H new ATOM 0 HD12 LEU A 108 2.236 -6.900 15.790 1.00 14.42 H new ATOM 0 HD13 LEU A 108 1.174 -5.940 16.848 1.00 14.42 H new ATOM 0 HD21 LEU A 108 2.265 -3.201 15.953 1.00 40.24 H new ATOM 0 HD22 LEU A 108 1.990 -3.647 17.654 1.00 40.24 H new ATOM 0 HD23 LEU A 108 3.594 -3.082 17.130 1.00 40.24 H new