USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 803 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 12 THR OG1 : rot 76:sc= 1.05 USER MOD Set 1.2: A 56 MET CE :methyl -119:sc= -0.0324 (180deg=-0.871) USER MOD Set 2.1: A 47 HIS : no HE2:sc= 0.0584 K(o=-0.23,f=-1.4) USER MOD Set 2.2: A 69 MET CE :methyl 146:sc= -0.285 (180deg=-1.13) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= -0.003 (180deg=-0.0716) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= 0.16 (180deg=0.0186) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 21 ASN : amide:sc= -0.634 X(o=-0.63,f=-0.71) USER MOD Single : A 23 ASN : amide:sc= 0.51 K(o=0.51,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0.48 (180deg=0.452) USER MOD Single : A 31 LYS NZ :NH3+ -109:sc= 0.0308 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0.0481 X(o=0.048,f=0) USER MOD Single : A 36 MET CE :methyl -138:sc= -3.34! (180deg=-7.37!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.261 F(o=-1.2,f=-0.26) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 64:sc= 0.156 USER MOD Single : A 48 THR OG1 : rot 73:sc= 0.579 USER MOD Single : A 49 MET CE :methyl -177:sc= -0.929 (180deg=-0.998) USER MOD Single : A 50 LYS NZ :NH3+ -127:sc= 0.0216 (180deg=-0.643) USER MOD Single : A 53 THR OG1 : rot -90:sc= -2.47! USER MOD Single : A 55 THR OG1 : rot 1:sc= 1.17 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 67 THR OG1 : rot -74:sc= 1.22 USER MOD Single : A 70 ASN : amide:sc= -0.0405 X(o=-0.04,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0128) USER MOD Single : A 75 MET CE :methyl 169:sc= -1.73 (180deg=-2.13) USER MOD Single : A 77 ASN : amide:sc= -0.625 K(o=-0.63,f=-8.3!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 84 SER OG : rot -99:sc= 0.0636 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -128:sc= 0.279 (180deg=-0.509) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 68:sc= 0.684 USER MOD ----------------------------------------------------------------- ATOM 109 N ILE A 8 -10.447 -0.184 16.823 1.00 71.43 N ATOM 110 CA ILE A 8 -9.086 -0.644 16.433 1.00 71.34 C ATOM 111 C ILE A 8 -9.103 -2.066 15.811 1.00 73.44 C ATOM 112 O ILE A 8 -8.413 -2.313 14.817 1.00 33.40 O ATOM 113 CB ILE A 8 -8.092 -0.595 17.665 1.00 74.43 C ATOM 114 CG1 ILE A 8 -7.936 0.873 18.194 1.00 32.34 C ATOM 115 CG2 ILE A 8 -6.704 -1.213 17.336 1.00 41.14 C ATOM 116 CD1 ILE A 8 -7.358 1.867 17.190 1.00 12.34 C ATOM 0 HA ILE A 8 -8.730 0.046 15.668 1.00 71.34 H new ATOM 0 HB ILE A 8 -8.532 -1.208 18.452 1.00 74.43 H new ATOM 0 HG12 ILE A 8 -8.914 1.232 18.515 1.00 32.34 H new ATOM 0 HG13 ILE A 8 -7.296 0.858 19.076 1.00 32.34 H new ATOM 0 HG21 ILE A 8 -6.062 -1.154 18.215 1.00 41.14 H new ATOM 0 HG22 ILE A 8 -6.829 -2.257 17.048 1.00 41.14 H new ATOM 0 HG23 ILE A 8 -6.246 -0.662 16.514 1.00 41.14 H new ATOM 0 HD11 ILE A 8 -7.290 2.852 17.651 1.00 12.34 H new ATOM 0 HD12 ILE A 8 -6.364 1.540 16.885 1.00 12.34 H new ATOM 0 HD13 ILE A 8 -8.007 1.920 16.316 1.00 12.34 H new ATOM 128 N LYS A 9 -9.923 -2.974 16.386 1.00 43.13 N ATOM 129 CA LYS A 9 -10.078 -4.362 15.887 1.00 62.30 C ATOM 130 C LYS A 9 -10.483 -4.374 14.389 1.00 71.30 C ATOM 131 O LYS A 9 -9.867 -5.065 13.569 1.00 0.33 O ATOM 132 CB LYS A 9 -11.141 -5.125 16.726 1.00 11.31 C ATOM 133 CG LYS A 9 -11.364 -6.596 16.283 1.00 63.14 C ATOM 134 CD LYS A 9 -12.483 -7.328 17.066 1.00 61.32 C ATOM 135 CE LYS A 9 -12.138 -7.542 18.547 1.00 54.04 C ATOM 136 NZ LYS A 9 -13.259 -8.168 19.306 1.00 4.04 N ATOM 0 H LYS A 9 -10.494 -2.768 17.206 1.00 43.13 H new ATOM 0 HA LYS A 9 -9.115 -4.863 15.989 1.00 62.30 H new ATOM 0 HB2 LYS A 9 -10.837 -5.114 17.773 1.00 11.31 H new ATOM 0 HB3 LYS A 9 -12.089 -4.591 16.664 1.00 11.31 H new ATOM 0 HG2 LYS A 9 -11.608 -6.612 15.221 1.00 63.14 H new ATOM 0 HG3 LYS A 9 -10.431 -7.146 16.404 1.00 63.14 H new ATOM 0 HD2 LYS A 9 -13.406 -6.753 16.993 1.00 61.32 H new ATOM 0 HD3 LYS A 9 -12.673 -8.295 16.599 1.00 61.32 H new ATOM 0 HE2 LYS A 9 -11.253 -8.174 18.624 1.00 54.04 H new ATOM 0 HE3 LYS A 9 -11.886 -6.584 19.001 1.00 54.04 H new ATOM 0 HZ1 LYS A 9 -12.979 -8.292 20.300 1.00 4.04 H new ATOM 0 HZ2 LYS A 9 -14.097 -7.554 19.257 1.00 4.04 H new ATOM 0 HZ3 LYS A 9 -13.484 -9.095 18.891 1.00 4.04 H new ATOM 150 N LYS A 10 -11.501 -3.558 14.057 1.00 12.21 N ATOM 151 CA LYS A 10 -12.014 -3.439 12.672 1.00 11.52 C ATOM 152 C LYS A 10 -10.926 -2.905 11.706 1.00 34.34 C ATOM 153 O LYS A 10 -10.571 -3.575 10.732 1.00 1.23 O ATOM 154 CB LYS A 10 -13.245 -2.490 12.648 1.00 61.13 C ATOM 155 CG LYS A 10 -14.406 -2.935 13.560 1.00 72.14 C ATOM 156 CD LYS A 10 -15.600 -1.951 13.524 1.00 43.03 C ATOM 157 CE LYS A 10 -16.773 -2.398 14.415 1.00 74.03 C ATOM 158 NZ LYS A 10 -16.377 -2.517 15.843 1.00 63.42 N ATOM 0 H LYS A 10 -11.989 -2.967 14.730 1.00 12.21 H new ATOM 0 HA LYS A 10 -12.306 -4.434 12.335 1.00 11.52 H new ATOM 0 HB2 LYS A 10 -12.926 -1.492 12.947 1.00 61.13 H new ATOM 0 HB3 LYS A 10 -13.611 -2.414 11.624 1.00 61.13 H new ATOM 0 HG2 LYS A 10 -14.746 -3.924 13.253 1.00 72.14 H new ATOM 0 HG3 LYS A 10 -14.045 -3.025 14.584 1.00 72.14 H new ATOM 0 HD2 LYS A 10 -15.262 -0.966 13.845 1.00 43.03 H new ATOM 0 HD3 LYS A 10 -15.949 -1.849 12.497 1.00 43.03 H new ATOM 0 HE2 LYS A 10 -17.590 -1.682 14.324 1.00 74.03 H new ATOM 0 HE3 LYS A 10 -17.150 -3.358 14.063 1.00 74.03 H new ATOM 0 HZ1 LYS A 10 -17.220 -2.704 16.423 1.00 63.42 H new ATOM 0 HZ2 LYS A 10 -15.701 -3.300 15.952 1.00 63.42 H new ATOM 0 HZ3 LYS A 10 -15.932 -1.630 16.155 1.00 63.42 H new ATOM 172 N VAL A 11 -10.349 -1.741 12.069 1.00 15.20 N ATOM 173 CA VAL A 11 -9.363 -0.990 11.246 1.00 22.12 C ATOM 174 C VAL A 11 -8.077 -1.814 10.948 1.00 21.20 C ATOM 175 O VAL A 11 -7.498 -1.712 9.852 1.00 0.12 O ATOM 176 CB VAL A 11 -9.011 0.378 11.955 1.00 24.42 C ATOM 177 CG1 VAL A 11 -7.965 1.203 11.166 1.00 74.24 C ATOM 178 CG2 VAL A 11 -10.298 1.212 12.190 1.00 64.41 C ATOM 0 H VAL A 11 -10.555 -1.284 12.957 1.00 15.20 H new ATOM 0 HA VAL A 11 -9.824 -0.789 10.279 1.00 22.12 H new ATOM 0 HB VAL A 11 -8.562 0.134 12.918 1.00 24.42 H new ATOM 0 HG11 VAL A 11 -7.759 2.133 11.697 1.00 74.24 H new ATOM 0 HG12 VAL A 11 -7.044 0.628 11.071 1.00 74.24 H new ATOM 0 HG13 VAL A 11 -8.354 1.430 10.174 1.00 74.24 H new ATOM 0 HG21 VAL A 11 -10.039 2.151 12.679 1.00 64.41 H new ATOM 0 HG22 VAL A 11 -10.776 1.421 11.233 1.00 64.41 H new ATOM 0 HG23 VAL A 11 -10.985 0.651 12.823 1.00 64.41 H new ATOM 188 N THR A 12 -7.660 -2.640 11.925 1.00 64.12 N ATOM 189 CA THR A 12 -6.518 -3.572 11.767 1.00 43.15 C ATOM 190 C THR A 12 -6.782 -4.591 10.637 1.00 32.21 C ATOM 191 O THR A 12 -5.940 -4.783 9.760 1.00 12.41 O ATOM 192 CB THR A 12 -6.202 -4.332 13.104 1.00 22.44 C ATOM 193 OG1 THR A 12 -5.906 -3.383 14.142 1.00 12.13 O ATOM 194 CG2 THR A 12 -5.013 -5.310 12.972 1.00 63.44 C ATOM 0 H THR A 12 -8.100 -2.684 12.844 1.00 64.12 H new ATOM 0 HA THR A 12 -5.650 -2.968 11.502 1.00 43.15 H new ATOM 0 HB THR A 12 -7.088 -4.917 13.350 1.00 22.44 H new ATOM 0 HG1 THR A 12 -6.737 -2.966 14.451 1.00 12.13 H new ATOM 0 HG21 THR A 12 -4.842 -5.806 13.927 1.00 63.44 H new ATOM 0 HG22 THR A 12 -5.239 -6.057 12.211 1.00 63.44 H new ATOM 0 HG23 THR A 12 -4.118 -4.758 12.684 1.00 63.44 H new ATOM 202 N ASP A 13 -7.978 -5.207 10.646 1.00 43.43 N ATOM 203 CA ASP A 13 -8.363 -6.223 9.645 1.00 71.35 C ATOM 204 C ASP A 13 -8.660 -5.612 8.250 1.00 72.34 C ATOM 205 O ASP A 13 -8.476 -6.292 7.229 1.00 10.13 O ATOM 206 CB ASP A 13 -9.553 -7.062 10.155 1.00 21.24 C ATOM 207 CG ASP A 13 -9.225 -7.845 11.439 1.00 23.10 C ATOM 208 OD1 ASP A 13 -8.124 -8.451 11.518 1.00 61.43 O ATOM 209 OD2 ASP A 13 -10.055 -7.865 12.371 1.00 53.54 O ATOM 0 H ASP A 13 -8.701 -5.018 11.341 1.00 43.43 H new ATOM 0 HA ASP A 13 -7.504 -6.881 9.512 1.00 71.35 H new ATOM 0 HB2 ASP A 13 -10.401 -6.404 10.343 1.00 21.24 H new ATOM 0 HB3 ASP A 13 -9.859 -7.761 9.377 1.00 21.24 H new ATOM 214 N GLU A 14 -9.127 -4.342 8.211 1.00 22.41 N ATOM 215 CA GLU A 14 -9.309 -3.592 6.936 1.00 21.45 C ATOM 216 C GLU A 14 -7.977 -3.521 6.147 1.00 54.13 C ATOM 217 O GLU A 14 -7.948 -3.657 4.918 1.00 64.31 O ATOM 218 CB GLU A 14 -9.827 -2.144 7.190 1.00 73.02 C ATOM 219 CG GLU A 14 -11.101 -2.032 8.048 1.00 43.32 C ATOM 220 CD GLU A 14 -12.284 -2.881 7.545 1.00 23.24 C ATOM 221 OE1 GLU A 14 -12.783 -2.624 6.430 1.00 35.22 O ATOM 222 OE2 GLU A 14 -12.725 -3.802 8.267 1.00 34.32 O ATOM 0 H GLU A 14 -9.385 -3.812 9.043 1.00 22.41 H new ATOM 0 HA GLU A 14 -10.054 -4.133 6.352 1.00 21.45 H new ATOM 0 HB2 GLU A 14 -9.034 -1.574 7.674 1.00 73.02 H new ATOM 0 HB3 GLU A 14 -10.017 -1.672 6.226 1.00 73.02 H new ATOM 0 HG2 GLU A 14 -10.864 -2.330 9.069 1.00 43.32 H new ATOM 0 HG3 GLU A 14 -11.409 -0.987 8.084 1.00 43.32 H new ATOM 229 N LEU A 15 -6.882 -3.330 6.905 1.00 4.54 N ATOM 230 CA LEU A 15 -5.505 -3.294 6.383 1.00 4.14 C ATOM 231 C LEU A 15 -5.091 -4.648 5.713 1.00 21.02 C ATOM 232 O LEU A 15 -4.323 -4.645 4.749 1.00 55.40 O ATOM 233 CB LEU A 15 -4.552 -2.862 7.546 1.00 14.14 C ATOM 234 CG LEU A 15 -2.999 -2.849 7.279 1.00 61.03 C ATOM 235 CD1 LEU A 15 -2.288 -1.780 8.144 1.00 21.02 C ATOM 236 CD2 LEU A 15 -2.370 -4.243 7.532 1.00 1.51 C ATOM 0 H LEU A 15 -6.931 -3.194 7.915 1.00 4.54 H new ATOM 0 HA LEU A 15 -5.432 -2.560 5.580 1.00 4.14 H new ATOM 0 HB2 LEU A 15 -4.843 -1.859 7.858 1.00 14.14 H new ATOM 0 HB3 LEU A 15 -4.738 -3.525 8.391 1.00 14.14 H new ATOM 0 HG LEU A 15 -2.857 -2.593 6.229 1.00 61.03 H new ATOM 0 HD11 LEU A 15 -1.218 -1.797 7.936 1.00 21.02 H new ATOM 0 HD12 LEU A 15 -2.688 -0.794 7.906 1.00 21.02 H new ATOM 0 HD13 LEU A 15 -2.456 -1.995 9.199 1.00 21.02 H new ATOM 0 HD21 LEU A 15 -1.298 -4.199 7.339 1.00 1.51 H new ATOM 0 HD22 LEU A 15 -2.540 -4.536 8.568 1.00 1.51 H new ATOM 0 HD23 LEU A 15 -2.829 -4.975 6.868 1.00 1.51 H new ATOM 248 N LYS A 16 -5.605 -5.797 6.220 1.00 12.12 N ATOM 249 CA LYS A 16 -5.328 -7.146 5.614 1.00 13.32 C ATOM 250 C LYS A 16 -5.930 -7.263 4.189 1.00 31.21 C ATOM 251 O LYS A 16 -5.257 -7.718 3.251 1.00 61.31 O ATOM 252 CB LYS A 16 -5.879 -8.315 6.490 1.00 3.30 C ATOM 253 CG LYS A 16 -5.055 -8.676 7.750 1.00 61.35 C ATOM 254 CD LYS A 16 -4.986 -7.534 8.777 1.00 0.11 C ATOM 255 CE LYS A 16 -4.415 -7.971 10.128 1.00 75.02 C ATOM 256 NZ LYS A 16 -5.206 -9.065 10.747 1.00 60.40 N ATOM 0 H LYS A 16 -6.210 -5.828 7.040 1.00 12.12 H new ATOM 0 HA LYS A 16 -4.243 -7.231 5.561 1.00 13.32 H new ATOM 0 HB2 LYS A 16 -6.891 -8.059 6.805 1.00 3.30 H new ATOM 0 HB3 LYS A 16 -5.955 -9.205 5.865 1.00 3.30 H new ATOM 0 HG2 LYS A 16 -5.493 -9.555 8.223 1.00 61.35 H new ATOM 0 HG3 LYS A 16 -4.043 -8.947 7.449 1.00 61.35 H new ATOM 0 HD2 LYS A 16 -4.372 -6.728 8.374 1.00 0.11 H new ATOM 0 HD3 LYS A 16 -5.986 -7.128 8.927 1.00 0.11 H new ATOM 0 HE2 LYS A 16 -3.385 -8.301 9.995 1.00 75.02 H new ATOM 0 HE3 LYS A 16 -4.391 -7.116 10.804 1.00 75.02 H new ATOM 0 HZ1 LYS A 16 -4.924 -9.178 11.742 1.00 60.40 H new ATOM 0 HZ2 LYS A 16 -6.218 -8.832 10.699 1.00 60.40 H new ATOM 0 HZ3 LYS A 16 -5.031 -9.953 10.235 1.00 60.40 H new ATOM 270 N GLU A 17 -7.211 -6.857 4.053 1.00 14.51 N ATOM 271 CA GLU A 17 -7.920 -6.801 2.748 1.00 33.11 C ATOM 272 C GLU A 17 -7.205 -5.845 1.774 1.00 11.02 C ATOM 273 O GLU A 17 -7.168 -6.069 0.566 1.00 1.13 O ATOM 274 CB GLU A 17 -9.383 -6.322 2.940 1.00 42.51 C ATOM 275 CG GLU A 17 -10.237 -7.182 3.886 1.00 73.42 C ATOM 276 CD GLU A 17 -11.659 -6.627 4.073 1.00 23.40 C ATOM 277 OE1 GLU A 17 -11.819 -5.628 4.806 1.00 3.13 O ATOM 278 OE2 GLU A 17 -12.619 -7.167 3.476 1.00 65.03 O ATOM 0 H GLU A 17 -7.785 -6.558 4.841 1.00 14.51 H new ATOM 0 HA GLU A 17 -7.918 -7.808 2.331 1.00 33.11 H new ATOM 0 HB2 GLU A 17 -9.367 -5.300 3.320 1.00 42.51 H new ATOM 0 HB3 GLU A 17 -9.869 -6.292 1.965 1.00 42.51 H new ATOM 0 HG2 GLU A 17 -10.297 -8.197 3.493 1.00 73.42 H new ATOM 0 HG3 GLU A 17 -9.745 -7.244 4.857 1.00 73.42 H new ATOM 285 N LEU A 18 -6.644 -4.784 2.348 1.00 21.32 N ATOM 286 CA LEU A 18 -5.915 -3.740 1.618 1.00 20.31 C ATOM 287 C LEU A 18 -4.606 -4.302 0.997 1.00 23.42 C ATOM 288 O LEU A 18 -4.331 -4.086 -0.180 1.00 32.44 O ATOM 289 CB LEU A 18 -5.645 -2.553 2.607 1.00 72.10 C ATOM 290 CG LEU A 18 -5.997 -1.119 2.106 1.00 13.41 C ATOM 291 CD1 LEU A 18 -7.359 -1.099 1.396 1.00 62.20 C ATOM 292 CD2 LEU A 18 -5.973 -0.108 3.273 1.00 25.33 C ATOM 0 H LEU A 18 -6.682 -4.619 3.354 1.00 21.32 H new ATOM 0 HA LEU A 18 -6.510 -3.376 0.780 1.00 20.31 H new ATOM 0 HB2 LEU A 18 -6.208 -2.740 3.522 1.00 72.10 H new ATOM 0 HB3 LEU A 18 -4.588 -2.568 2.874 1.00 72.10 H new ATOM 0 HG LEU A 18 -5.238 -0.823 1.383 1.00 13.41 H new ATOM 0 HD11 LEU A 18 -7.578 -0.086 1.058 1.00 62.20 H new ATOM 0 HD12 LEU A 18 -7.332 -1.771 0.538 1.00 62.20 H new ATOM 0 HD13 LEU A 18 -8.135 -1.426 2.088 1.00 62.20 H new ATOM 0 HD21 LEU A 18 -6.222 0.885 2.899 1.00 25.33 H new ATOM 0 HD22 LEU A 18 -6.702 -0.405 4.027 1.00 25.33 H new ATOM 0 HD23 LEU A 18 -4.978 -0.090 3.718 1.00 25.33 H new ATOM 304 N ILE A 19 -3.833 -5.045 1.814 1.00 4.13 N ATOM 305 CA ILE A 19 -2.616 -5.781 1.371 1.00 11.41 C ATOM 306 C ILE A 19 -2.943 -6.766 0.217 1.00 64.11 C ATOM 307 O ILE A 19 -2.328 -6.711 -0.855 1.00 15.24 O ATOM 308 CB ILE A 19 -1.987 -6.566 2.599 1.00 52.32 C ATOM 309 CG1 ILE A 19 -1.376 -5.573 3.641 1.00 43.33 C ATOM 310 CG2 ILE A 19 -0.947 -7.640 2.172 1.00 65.14 C ATOM 311 CD1 ILE A 19 -0.881 -6.222 4.929 1.00 43.25 C ATOM 0 H ILE A 19 -4.031 -5.157 2.808 1.00 4.13 H new ATOM 0 HA ILE A 19 -1.894 -5.055 0.997 1.00 11.41 H new ATOM 0 HB ILE A 19 -2.807 -7.108 3.071 1.00 52.32 H new ATOM 0 HG12 ILE A 19 -0.545 -5.045 3.174 1.00 43.33 H new ATOM 0 HG13 ILE A 19 -2.128 -4.825 3.893 1.00 43.33 H new ATOM 0 HG21 ILE A 19 -0.555 -8.140 3.058 1.00 65.14 H new ATOM 0 HG22 ILE A 19 -1.427 -8.373 1.524 1.00 65.14 H new ATOM 0 HG23 ILE A 19 -0.129 -7.161 1.634 1.00 65.14 H new ATOM 0 HD11 ILE A 19 -0.475 -5.456 5.590 1.00 43.25 H new ATOM 0 HD12 ILE A 19 -1.711 -6.726 5.425 1.00 43.25 H new ATOM 0 HD13 ILE A 19 -0.103 -6.949 4.695 1.00 43.25 H new ATOM 323 N GLN A 20 -3.935 -7.639 0.465 1.00 13.22 N ATOM 324 CA GLN A 20 -4.394 -8.677 -0.492 1.00 45.44 C ATOM 325 C GLN A 20 -4.812 -8.067 -1.855 1.00 43.24 C ATOM 326 O GLN A 20 -4.388 -8.538 -2.919 1.00 73.31 O ATOM 327 CB GLN A 20 -5.592 -9.441 0.129 1.00 53.32 C ATOM 328 CG GLN A 20 -6.173 -10.579 -0.738 1.00 74.53 C ATOM 329 CD GLN A 20 -7.412 -11.241 -0.122 1.00 1.24 C ATOM 330 OE1 GLN A 20 -8.185 -10.608 0.596 1.00 41.03 O ATOM 331 NE2 GLN A 20 -7.620 -12.515 -0.407 1.00 54.04 N ATOM 0 H GLN A 20 -4.451 -7.649 1.345 1.00 13.22 H new ATOM 0 HA GLN A 20 -3.563 -9.357 -0.680 1.00 45.44 H new ATOM 0 HB2 GLN A 20 -5.278 -9.860 1.085 1.00 53.32 H new ATOM 0 HB3 GLN A 20 -6.387 -8.726 0.340 1.00 53.32 H new ATOM 0 HG2 GLN A 20 -6.432 -10.182 -1.720 1.00 74.53 H new ATOM 0 HG3 GLN A 20 -5.405 -11.336 -0.893 1.00 74.53 H new ATOM 0 HE21 GLN A 20 -6.964 -13.018 -1.005 1.00 54.04 H new ATOM 0 HE22 GLN A 20 -8.437 -12.995 -0.029 1.00 54.04 H new ATOM 340 N ASN A 21 -5.622 -6.992 -1.789 1.00 71.31 N ATOM 341 CA ASN A 21 -6.163 -6.306 -2.987 1.00 43.24 C ATOM 342 C ASN A 21 -5.032 -5.629 -3.807 1.00 35.35 C ATOM 343 O ASN A 21 -5.015 -5.725 -5.036 1.00 62.33 O ATOM 344 CB ASN A 21 -7.249 -5.275 -2.569 1.00 60.12 C ATOM 345 CG ASN A 21 -8.017 -4.622 -3.736 1.00 31.15 C ATOM 346 OD1 ASN A 21 -8.468 -3.486 -3.631 1.00 21.10 O ATOM 347 ND2 ASN A 21 -8.201 -5.326 -4.842 1.00 3.30 N ATOM 0 H ASN A 21 -5.921 -6.573 -0.908 1.00 71.31 H new ATOM 0 HA ASN A 21 -6.627 -7.053 -3.631 1.00 43.24 H new ATOM 0 HB2 ASN A 21 -7.966 -5.771 -1.915 1.00 60.12 H new ATOM 0 HB3 ASN A 21 -6.774 -4.489 -1.982 1.00 60.12 H new ATOM 0 HD21 ASN A 21 -8.723 -4.925 -5.621 1.00 3.30 H new ATOM 0 HD22 ASN A 21 -7.820 -6.269 -4.915 1.00 3.30 H new ATOM 354 N VAL A 22 -4.076 -4.978 -3.102 1.00 61.34 N ATOM 355 CA VAL A 22 -2.869 -4.383 -3.733 1.00 23.32 C ATOM 356 C VAL A 22 -2.031 -5.452 -4.482 1.00 3.04 C ATOM 357 O VAL A 22 -1.618 -5.213 -5.611 1.00 53.13 O ATOM 358 CB VAL A 22 -1.962 -3.614 -2.690 1.00 14.41 C ATOM 359 CG1 VAL A 22 -0.577 -3.252 -3.273 1.00 22.21 C ATOM 360 CG2 VAL A 22 -2.656 -2.334 -2.187 1.00 21.13 C ATOM 0 H VAL A 22 -4.116 -4.850 -2.091 1.00 61.34 H new ATOM 0 HA VAL A 22 -3.233 -3.655 -4.458 1.00 23.32 H new ATOM 0 HB VAL A 22 -1.811 -4.296 -1.853 1.00 14.41 H new ATOM 0 HG11 VAL A 22 0.009 -2.726 -2.519 1.00 22.21 H new ATOM 0 HG12 VAL A 22 -0.056 -4.164 -3.566 1.00 22.21 H new ATOM 0 HG13 VAL A 22 -0.706 -2.611 -4.145 1.00 22.21 H new ATOM 0 HG21 VAL A 22 -2.009 -1.826 -1.472 1.00 21.13 H new ATOM 0 HG22 VAL A 22 -2.854 -1.672 -3.030 1.00 21.13 H new ATOM 0 HG23 VAL A 22 -3.597 -2.596 -1.703 1.00 21.13 H new ATOM 370 N ASN A 23 -1.801 -6.632 -3.850 1.00 11.54 N ATOM 371 CA ASN A 23 -1.091 -7.765 -4.510 1.00 61.44 C ATOM 372 C ASN A 23 -1.803 -8.187 -5.823 1.00 33.14 C ATOM 373 O ASN A 23 -1.155 -8.319 -6.855 1.00 5.42 O ATOM 374 CB ASN A 23 -0.932 -9.000 -3.571 1.00 11.12 C ATOM 375 CG ASN A 23 0.176 -8.830 -2.522 1.00 33.05 C ATOM 376 OD1 ASN A 23 1.352 -9.047 -2.803 1.00 60.41 O ATOM 377 ND2 ASN A 23 -0.183 -8.498 -1.299 1.00 44.21 N ATOM 0 H ASN A 23 -2.093 -6.825 -2.892 1.00 11.54 H new ATOM 0 HA ASN A 23 -0.092 -7.400 -4.748 1.00 61.44 H new ATOM 0 HB2 ASN A 23 -1.878 -9.185 -3.062 1.00 11.12 H new ATOM 0 HB3 ASN A 23 -0.718 -9.881 -4.175 1.00 11.12 H new ATOM 0 HD21 ASN A 23 0.521 -8.417 -0.565 1.00 44.21 H new ATOM 0 HD22 ASN A 23 -1.165 -8.322 -1.086 1.00 44.21 H new ATOM 384 N ASP A 24 -3.141 -8.351 -5.768 1.00 2.35 N ATOM 385 CA ASP A 24 -3.961 -8.718 -6.953 1.00 4.43 C ATOM 386 C ASP A 24 -3.853 -7.685 -8.107 1.00 33.12 C ATOM 387 O ASP A 24 -3.761 -8.063 -9.289 1.00 53.31 O ATOM 388 CB ASP A 24 -5.444 -8.929 -6.545 1.00 4.22 C ATOM 389 CG ASP A 24 -5.681 -10.289 -5.867 1.00 12.42 C ATOM 390 OD1 ASP A 24 -5.524 -11.332 -6.553 1.00 52.13 O ATOM 391 OD2 ASP A 24 -6.013 -10.338 -4.662 1.00 11.41 O ATOM 0 H ASP A 24 -3.684 -8.235 -4.912 1.00 2.35 H new ATOM 0 HA ASP A 24 -3.557 -9.656 -7.335 1.00 4.43 H new ATOM 0 HB2 ASP A 24 -5.748 -8.131 -5.867 1.00 4.22 H new ATOM 0 HB3 ASP A 24 -6.075 -8.853 -7.430 1.00 4.22 H new ATOM 396 N ASP A 25 -3.866 -6.395 -7.754 1.00 34.42 N ATOM 397 CA ASP A 25 -3.701 -5.290 -8.723 1.00 2.12 C ATOM 398 C ASP A 25 -2.262 -5.241 -9.307 1.00 15.31 C ATOM 399 O ASP A 25 -2.087 -4.999 -10.508 1.00 31.54 O ATOM 400 CB ASP A 25 -4.089 -3.952 -8.047 1.00 52.51 C ATOM 401 CG ASP A 25 -5.613 -3.793 -7.856 1.00 44.43 C ATOM 402 OD1 ASP A 25 -6.353 -3.867 -8.864 1.00 3.35 O ATOM 403 OD2 ASP A 25 -6.078 -3.581 -6.720 1.00 31.01 O ATOM 0 H ASP A 25 -3.991 -6.081 -6.792 1.00 34.42 H new ATOM 0 HA ASP A 25 -4.367 -5.465 -9.568 1.00 2.12 H new ATOM 0 HB2 ASP A 25 -3.598 -3.886 -7.076 1.00 52.51 H new ATOM 0 HB3 ASP A 25 -3.716 -3.125 -8.650 1.00 52.51 H new ATOM 408 N ILE A 26 -1.246 -5.506 -8.457 1.00 42.02 N ATOM 409 CA ILE A 26 0.181 -5.548 -8.876 1.00 13.03 C ATOM 410 C ILE A 26 0.441 -6.700 -9.881 1.00 43.24 C ATOM 411 O ILE A 26 1.220 -6.523 -10.808 1.00 40.10 O ATOM 412 CB ILE A 26 1.160 -5.647 -7.631 1.00 35.15 C ATOM 413 CG1 ILE A 26 1.163 -4.302 -6.836 1.00 74.45 C ATOM 414 CG2 ILE A 26 2.610 -6.052 -8.021 1.00 73.40 C ATOM 415 CD1 ILE A 26 2.043 -4.269 -5.599 1.00 43.21 C ATOM 0 H ILE A 26 -1.386 -5.697 -7.465 1.00 42.02 H new ATOM 0 HA ILE A 26 0.392 -4.606 -9.383 1.00 13.03 H new ATOM 0 HB ILE A 26 0.777 -6.446 -6.996 1.00 35.15 H new ATOM 0 HG12 ILE A 26 1.482 -3.505 -7.508 1.00 74.45 H new ATOM 0 HG13 ILE A 26 0.139 -4.076 -6.537 1.00 74.45 H new ATOM 0 HG21 ILE A 26 3.228 -6.102 -7.124 1.00 73.40 H new ATOM 0 HG22 ILE A 26 2.597 -7.028 -8.507 1.00 73.40 H new ATOM 0 HG23 ILE A 26 3.023 -5.311 -8.706 1.00 73.40 H new ATOM 0 HD11 ILE A 26 1.969 -3.290 -5.126 1.00 43.21 H new ATOM 0 HD12 ILE A 26 1.714 -5.037 -4.898 1.00 43.21 H new ATOM 0 HD13 ILE A 26 3.078 -4.457 -5.884 1.00 43.21 H new ATOM 427 N LYS A 27 -0.243 -7.859 -9.706 1.00 23.34 N ATOM 428 CA LYS A 27 -0.167 -9.008 -10.664 1.00 61.31 C ATOM 429 C LYS A 27 -0.500 -8.557 -12.107 1.00 72.22 C ATOM 430 O LYS A 27 0.187 -8.920 -13.070 1.00 61.41 O ATOM 431 CB LYS A 27 -1.158 -10.133 -10.254 1.00 52.53 C ATOM 432 CG LYS A 27 -0.919 -10.733 -8.857 1.00 12.55 C ATOM 433 CD LYS A 27 -2.035 -11.707 -8.424 1.00 23.32 C ATOM 434 CE LYS A 27 -1.894 -12.157 -6.960 1.00 62.22 C ATOM 435 NZ LYS A 27 -3.002 -13.061 -6.551 1.00 55.32 N ATOM 0 H LYS A 27 -0.857 -8.030 -8.910 1.00 23.34 H new ATOM 0 HA LYS A 27 0.855 -9.386 -10.631 1.00 61.31 H new ATOM 0 HB2 LYS A 27 -2.172 -9.735 -10.293 1.00 52.53 H new ATOM 0 HB3 LYS A 27 -1.101 -10.934 -10.991 1.00 52.53 H new ATOM 0 HG2 LYS A 27 0.037 -11.257 -8.851 1.00 12.55 H new ATOM 0 HG3 LYS A 27 -0.845 -9.926 -8.128 1.00 12.55 H new ATOM 0 HD2 LYS A 27 -3.004 -11.227 -8.561 1.00 23.32 H new ATOM 0 HD3 LYS A 27 -2.019 -12.583 -9.072 1.00 23.32 H new ATOM 0 HE2 LYS A 27 -0.940 -12.668 -6.827 1.00 62.22 H new ATOM 0 HE3 LYS A 27 -1.880 -11.282 -6.310 1.00 62.22 H new ATOM 0 HZ1 LYS A 27 -2.802 -13.450 -5.607 1.00 55.32 H new ATOM 0 HZ2 LYS A 27 -3.894 -12.527 -6.524 1.00 55.32 H new ATOM 0 HZ3 LYS A 27 -3.086 -13.839 -7.236 1.00 55.32 H new ATOM 449 N GLU A 28 -1.555 -7.739 -12.223 1.00 73.43 N ATOM 450 CA GLU A 28 -2.015 -7.186 -13.509 1.00 12.22 C ATOM 451 C GLU A 28 -1.029 -6.140 -14.080 1.00 40.41 C ATOM 452 O GLU A 28 -0.906 -6.004 -15.304 1.00 71.53 O ATOM 453 CB GLU A 28 -3.423 -6.573 -13.336 1.00 72.12 C ATOM 454 CG GLU A 28 -4.522 -7.592 -12.968 1.00 65.04 C ATOM 455 CD GLU A 28 -4.850 -8.567 -14.118 1.00 34.42 C ATOM 456 OE1 GLU A 28 -5.681 -8.221 -14.984 1.00 0.44 O ATOM 457 OE2 GLU A 28 -4.281 -9.677 -14.172 1.00 12.24 O ATOM 0 H GLU A 28 -2.117 -7.440 -11.426 1.00 73.43 H new ATOM 0 HA GLU A 28 -2.060 -8.003 -14.230 1.00 12.22 H new ATOM 0 HB2 GLU A 28 -3.380 -5.808 -12.561 1.00 72.12 H new ATOM 0 HB3 GLU A 28 -3.704 -6.073 -14.263 1.00 72.12 H new ATOM 0 HG2 GLU A 28 -4.203 -8.162 -12.095 1.00 65.04 H new ATOM 0 HG3 GLU A 28 -5.427 -7.055 -12.685 1.00 65.04 H new ATOM 464 N VAL A 29 -0.326 -5.403 -13.193 1.00 1.14 N ATOM 465 CA VAL A 29 0.740 -4.467 -13.620 1.00 1.15 C ATOM 466 C VAL A 29 2.041 -5.227 -14.020 1.00 15.45 C ATOM 467 O VAL A 29 2.798 -4.779 -14.885 1.00 11.32 O ATOM 468 CB VAL A 29 1.108 -3.393 -12.536 1.00 61.33 C ATOM 469 CG1 VAL A 29 1.977 -2.298 -13.176 1.00 33.34 C ATOM 470 CG2 VAL A 29 -0.131 -2.769 -11.848 1.00 43.20 C ATOM 0 H VAL A 29 -0.475 -5.436 -12.184 1.00 1.14 H new ATOM 0 HA VAL A 29 0.323 -3.947 -14.483 1.00 1.15 H new ATOM 0 HB VAL A 29 1.665 -3.904 -11.750 1.00 61.33 H new ATOM 0 HG11 VAL A 29 2.233 -1.551 -12.424 1.00 33.34 H new ATOM 0 HG12 VAL A 29 2.890 -2.743 -13.572 1.00 33.34 H new ATOM 0 HG13 VAL A 29 1.425 -1.822 -13.986 1.00 33.34 H new ATOM 0 HG21 VAL A 29 0.194 -2.035 -11.110 1.00 43.20 H new ATOM 0 HG22 VAL A 29 -0.755 -2.280 -12.596 1.00 43.20 H new ATOM 0 HG23 VAL A 29 -0.705 -3.552 -11.353 1.00 43.20 H new ATOM 480 N GLU A 30 2.294 -6.383 -13.390 1.00 54.11 N ATOM 481 CA GLU A 30 3.430 -7.266 -13.749 1.00 74.10 C ATOM 482 C GLU A 30 3.267 -7.814 -15.195 1.00 75.31 C ATOM 483 O GLU A 30 4.237 -8.234 -15.831 1.00 62.53 O ATOM 484 CB GLU A 30 3.590 -8.411 -12.711 1.00 22.24 C ATOM 485 CG GLU A 30 4.069 -7.937 -11.313 1.00 71.30 C ATOM 486 CD GLU A 30 4.442 -9.078 -10.353 1.00 15.33 C ATOM 487 OE1 GLU A 30 5.239 -9.962 -10.748 1.00 24.42 O ATOM 488 OE2 GLU A 30 3.953 -9.100 -9.202 1.00 5.43 O ATOM 0 H GLU A 30 1.725 -6.737 -12.621 1.00 54.11 H new ATOM 0 HA GLU A 30 4.347 -6.676 -13.725 1.00 74.10 H new ATOM 0 HB2 GLU A 30 2.634 -8.923 -12.601 1.00 22.24 H new ATOM 0 HB3 GLU A 30 4.301 -9.141 -13.098 1.00 22.24 H new ATOM 0 HG2 GLU A 30 4.934 -7.286 -11.439 1.00 71.30 H new ATOM 0 HG3 GLU A 30 3.282 -7.336 -10.857 1.00 71.30 H new ATOM 495 N LYS A 31 2.022 -7.791 -15.685 1.00 45.13 N ATOM 496 CA LYS A 31 1.684 -8.028 -17.102 1.00 74.13 C ATOM 497 C LYS A 31 1.829 -6.725 -17.920 1.00 64.14 C ATOM 498 O LYS A 31 2.463 -6.702 -18.984 1.00 43.32 O ATOM 499 CB LYS A 31 0.224 -8.535 -17.188 1.00 63.00 C ATOM 500 CG LYS A 31 -0.029 -9.779 -16.328 1.00 13.51 C ATOM 501 CD LYS A 31 -1.526 -10.128 -16.168 1.00 30.33 C ATOM 502 CE LYS A 31 -2.226 -10.484 -17.489 1.00 1.30 C ATOM 503 NZ LYS A 31 -3.680 -10.719 -17.285 1.00 1.13 N ATOM 0 H LYS A 31 1.205 -7.605 -15.103 1.00 45.13 H new ATOM 0 HA LYS A 31 2.366 -8.771 -17.514 1.00 74.13 H new ATOM 0 HB2 LYS A 31 -0.451 -7.739 -16.873 1.00 63.00 H new ATOM 0 HB3 LYS A 31 -0.015 -8.763 -18.227 1.00 63.00 H new ATOM 0 HG2 LYS A 31 0.488 -10.629 -16.773 1.00 13.51 H new ATOM 0 HG3 LYS A 31 0.406 -9.623 -15.341 1.00 13.51 H new ATOM 0 HD2 LYS A 31 -1.622 -10.967 -15.479 1.00 30.33 H new ATOM 0 HD3 LYS A 31 -2.040 -9.282 -15.712 1.00 30.33 H new ATOM 0 HE2 LYS A 31 -2.083 -9.677 -18.207 1.00 1.30 H new ATOM 0 HE3 LYS A 31 -1.768 -11.376 -17.917 1.00 1.30 H new ATOM 0 HZ1 LYS A 31 -3.887 -11.732 -17.395 1.00 1.13 H new ATOM 0 HZ2 LYS A 31 -3.950 -10.412 -16.329 1.00 1.13 H new ATOM 0 HZ3 LYS A 31 -4.221 -10.177 -17.988 1.00 1.13 H new ATOM 517 N ASN A 32 1.228 -5.632 -17.391 1.00 43.44 N ATOM 518 CA ASN A 32 1.148 -4.322 -18.085 1.00 24.34 C ATOM 519 C ASN A 32 1.763 -3.189 -17.207 1.00 71.24 C ATOM 520 O ASN A 32 1.053 -2.599 -16.389 1.00 1.42 O ATOM 521 CB ASN A 32 -0.332 -3.978 -18.431 1.00 61.24 C ATOM 522 CG ASN A 32 -1.063 -5.124 -19.124 1.00 3.24 C ATOM 523 OD1 ASN A 32 -1.061 -5.242 -20.341 1.00 22.23 O ATOM 524 ND2 ASN A 32 -1.690 -5.984 -18.342 1.00 71.52 N ATOM 0 H ASN A 32 0.785 -5.633 -16.472 1.00 43.44 H new ATOM 0 HA ASN A 32 1.721 -4.396 -19.009 1.00 24.34 H new ATOM 0 HB2 ASN A 32 -0.862 -3.717 -17.515 1.00 61.24 H new ATOM 0 HB3 ASN A 32 -0.354 -3.098 -19.074 1.00 61.24 H new ATOM 0 HD21 ASN A 32 -2.191 -6.773 -18.750 1.00 71.52 H new ATOM 0 HD22 ASN A 32 -1.674 -5.859 -17.330 1.00 71.52 H new ATOM 531 N PRO A 33 3.101 -2.882 -17.336 1.00 3.33 N ATOM 532 CA PRO A 33 3.808 -1.917 -16.432 1.00 12.13 C ATOM 533 C PRO A 33 3.245 -0.473 -16.500 1.00 51.33 C ATOM 534 O PRO A 33 3.163 0.223 -15.485 1.00 63.02 O ATOM 535 CB PRO A 33 5.284 -1.982 -16.921 1.00 64.45 C ATOM 536 CG PRO A 33 5.193 -2.473 -18.336 1.00 71.15 C ATOM 537 CD PRO A 33 4.024 -3.434 -18.358 1.00 54.45 C ATOM 0 HA PRO A 33 3.684 -2.185 -15.383 1.00 12.13 H new ATOM 0 HB2 PRO A 33 5.762 -1.003 -16.871 1.00 64.45 H new ATOM 0 HB3 PRO A 33 5.876 -2.658 -16.304 1.00 64.45 H new ATOM 0 HG2 PRO A 33 5.034 -1.646 -19.028 1.00 71.15 H new ATOM 0 HG3 PRO A 33 6.115 -2.970 -18.639 1.00 71.15 H new ATOM 0 HD2 PRO A 33 3.556 -3.474 -19.342 1.00 54.45 H new ATOM 0 HD3 PRO A 33 4.335 -4.449 -18.111 1.00 54.45 H new ATOM 545 N GLU A 34 2.819 -0.070 -17.707 1.00 13.20 N ATOM 546 CA GLU A 34 2.312 1.289 -18.000 1.00 24.04 C ATOM 547 C GLU A 34 0.797 1.427 -17.712 1.00 35.12 C ATOM 548 O GLU A 34 0.194 2.448 -18.068 1.00 4.34 O ATOM 549 CB GLU A 34 2.603 1.607 -19.489 1.00 51.44 C ATOM 550 CG GLU A 34 4.090 1.495 -19.885 1.00 42.13 C ATOM 551 CD GLU A 34 4.302 1.472 -21.407 1.00 55.12 C ATOM 552 OE1 GLU A 34 4.362 2.552 -22.031 1.00 34.32 O ATOM 553 OE2 GLU A 34 4.386 0.368 -21.985 1.00 23.20 O ATOM 0 H GLU A 34 2.815 -0.684 -18.522 1.00 13.20 H new ATOM 0 HA GLU A 34 2.821 1.997 -17.346 1.00 24.04 H new ATOM 0 HB2 GLU A 34 2.021 0.929 -20.113 1.00 51.44 H new ATOM 0 HB3 GLU A 34 2.257 2.617 -19.707 1.00 51.44 H new ATOM 0 HG2 GLU A 34 4.639 2.335 -19.459 1.00 42.13 H new ATOM 0 HG3 GLU A 34 4.509 0.587 -19.451 1.00 42.13 H new ATOM 560 N ASP A 35 0.181 0.405 -17.073 1.00 24.43 N ATOM 561 CA ASP A 35 -1.260 0.432 -16.757 1.00 75.34 C ATOM 562 C ASP A 35 -1.518 1.411 -15.584 1.00 75.21 C ATOM 563 O ASP A 35 -1.435 1.038 -14.403 1.00 52.34 O ATOM 564 CB ASP A 35 -1.803 -0.994 -16.439 1.00 12.43 C ATOM 565 CG ASP A 35 -3.329 -1.108 -16.630 1.00 12.11 C ATOM 566 OD1 ASP A 35 -4.081 -0.273 -16.068 1.00 32.20 O ATOM 567 OD2 ASP A 35 -3.790 -2.006 -17.372 1.00 71.51 O ATOM 0 H ASP A 35 0.660 -0.443 -16.769 1.00 24.43 H new ATOM 0 HA ASP A 35 -1.802 0.786 -17.634 1.00 75.34 H new ATOM 0 HB2 ASP A 35 -1.306 -1.719 -17.083 1.00 12.43 H new ATOM 0 HB3 ASP A 35 -1.550 -1.254 -15.411 1.00 12.43 H new ATOM 572 N MET A 36 -1.813 2.672 -15.941 1.00 4.42 N ATOM 573 CA MET A 36 -1.983 3.770 -14.973 1.00 23.23 C ATOM 574 C MET A 36 -3.246 3.588 -14.113 1.00 34.14 C ATOM 575 O MET A 36 -3.227 3.881 -12.928 1.00 44.01 O ATOM 576 CB MET A 36 -1.988 5.126 -15.718 1.00 21.13 C ATOM 577 CG MET A 36 -0.762 5.389 -16.630 1.00 75.33 C ATOM 578 SD MET A 36 0.783 5.721 -15.746 1.00 20.22 S ATOM 579 CE MET A 36 1.352 4.117 -15.176 1.00 14.32 C ATOM 0 H MET A 36 -1.941 2.960 -16.911 1.00 4.42 H new ATOM 0 HA MET A 36 -1.139 3.754 -14.283 1.00 23.23 H new ATOM 0 HB2 MET A 36 -2.891 5.184 -16.326 1.00 21.13 H new ATOM 0 HB3 MET A 36 -2.049 5.926 -14.980 1.00 21.13 H new ATOM 0 HG2 MET A 36 -0.616 4.524 -17.277 1.00 75.33 H new ATOM 0 HG3 MET A 36 -0.984 6.237 -17.277 1.00 75.33 H new ATOM 0 HE1 MET A 36 1.724 4.205 -14.155 1.00 14.32 H new ATOM 0 HE2 MET A 36 0.525 3.408 -15.201 1.00 14.32 H new ATOM 0 HE3 MET A 36 2.153 3.763 -15.825 1.00 14.32 H new ATOM 589 N GLU A 37 -4.323 3.076 -14.728 1.00 23.34 N ATOM 590 CA GLU A 37 -5.599 2.769 -14.033 1.00 63.01 C ATOM 591 C GLU A 37 -5.413 1.737 -12.887 1.00 11.21 C ATOM 592 O GLU A 37 -5.983 1.907 -11.804 1.00 20.02 O ATOM 593 CB GLU A 37 -6.665 2.290 -15.060 1.00 71.24 C ATOM 594 CG GLU A 37 -7.370 3.424 -15.848 1.00 20.25 C ATOM 595 CD GLU A 37 -6.413 4.390 -16.580 1.00 52.41 C ATOM 596 OE1 GLU A 37 -5.969 4.073 -17.707 1.00 40.44 O ATOM 597 OE2 GLU A 37 -6.091 5.470 -16.024 1.00 12.01 O ATOM 0 H GLU A 37 -4.341 2.860 -15.725 1.00 23.34 H new ATOM 0 HA GLU A 37 -5.952 3.688 -13.564 1.00 63.01 H new ATOM 0 HB2 GLU A 37 -6.186 1.617 -15.771 1.00 71.24 H new ATOM 0 HB3 GLU A 37 -7.422 1.710 -14.532 1.00 71.24 H new ATOM 0 HG2 GLU A 37 -8.043 2.976 -16.580 1.00 20.25 H new ATOM 0 HG3 GLU A 37 -7.987 3.999 -15.158 1.00 20.25 H new ATOM 604 N TYR A 38 -4.603 0.688 -13.124 1.00 33.13 N ATOM 605 CA TYR A 38 -4.236 -0.293 -12.069 1.00 44.42 C ATOM 606 C TYR A 38 -3.257 0.298 -11.028 1.00 3.12 C ATOM 607 O TYR A 38 -3.172 -0.201 -9.904 1.00 3.32 O ATOM 608 CB TYR A 38 -3.698 -1.616 -12.686 1.00 32.31 C ATOM 609 CG TYR A 38 -4.815 -2.615 -13.026 1.00 13.25 C ATOM 610 CD1 TYR A 38 -5.254 -3.546 -12.084 1.00 1.24 C ATOM 611 CD2 TYR A 38 -5.448 -2.608 -14.266 1.00 4.23 C ATOM 612 CE1 TYR A 38 -6.276 -4.430 -12.375 1.00 1.52 C ATOM 613 CE2 TYR A 38 -6.465 -3.488 -14.562 1.00 52.22 C ATOM 614 CZ TYR A 38 -6.876 -4.397 -13.619 1.00 23.43 C ATOM 615 OH TYR A 38 -7.899 -5.271 -13.918 1.00 52.22 O ATOM 0 H TYR A 38 -4.187 0.493 -14.035 1.00 33.13 H new ATOM 0 HA TYR A 38 -5.151 -0.533 -11.528 1.00 44.42 H new ATOM 0 HB2 TYR A 38 -3.135 -1.386 -13.591 1.00 32.31 H new ATOM 0 HB3 TYR A 38 -3.002 -2.080 -11.987 1.00 32.31 H new ATOM 0 HD1 TYR A 38 -4.787 -3.576 -11.111 1.00 1.24 H new ATOM 0 HD2 TYR A 38 -5.134 -1.895 -15.014 1.00 4.23 H new ATOM 0 HE1 TYR A 38 -6.604 -5.143 -11.633 1.00 1.52 H new ATOM 0 HE2 TYR A 38 -6.938 -3.463 -15.533 1.00 52.22 H new ATOM 0 HH TYR A 38 -8.208 -5.112 -14.834 1.00 52.22 H new ATOM 625 N TRP A 39 -2.511 1.350 -11.399 1.00 23.22 N ATOM 626 CA TRP A 39 -1.731 2.146 -10.423 1.00 74.21 C ATOM 627 C TRP A 39 -2.611 3.109 -9.590 1.00 24.15 C ATOM 628 O TRP A 39 -2.284 3.380 -8.440 1.00 71.03 O ATOM 629 CB TRP A 39 -0.543 2.879 -11.113 1.00 41.54 C ATOM 630 CG TRP A 39 0.629 1.956 -11.384 1.00 1.44 C ATOM 631 CD1 TRP A 39 1.242 1.710 -12.578 1.00 33.10 C ATOM 632 CD2 TRP A 39 1.298 1.119 -10.415 1.00 41.13 C ATOM 633 NE1 TRP A 39 2.251 0.805 -12.412 1.00 42.40 N ATOM 634 CE2 TRP A 39 2.298 0.420 -11.093 1.00 61.31 C ATOM 635 CE3 TRP A 39 1.148 0.895 -9.037 1.00 43.33 C ATOM 636 CZ2 TRP A 39 3.128 -0.499 -10.455 1.00 34.02 C ATOM 637 CZ3 TRP A 39 1.980 -0.005 -8.407 1.00 71.31 C ATOM 638 CH2 TRP A 39 2.962 -0.693 -9.117 1.00 74.14 C ATOM 0 H TRP A 39 -2.428 1.673 -12.363 1.00 23.22 H new ATOM 0 HA TRP A 39 -1.309 1.441 -9.707 1.00 74.21 H new ATOM 0 HB2 TRP A 39 -0.884 3.313 -12.053 1.00 41.54 H new ATOM 0 HB3 TRP A 39 -0.213 3.704 -10.482 1.00 41.54 H new ATOM 0 HD1 TRP A 39 0.969 2.165 -13.518 1.00 33.10 H new ATOM 0 HE1 TRP A 39 2.871 0.468 -13.149 1.00 42.40 H new ATOM 0 HE3 TRP A 39 0.389 1.422 -8.477 1.00 43.33 H new ATOM 0 HZ2 TRP A 39 3.882 -1.042 -11.006 1.00 34.02 H new ATOM 0 HZ3 TRP A 39 1.869 -0.180 -7.347 1.00 71.31 H new ATOM 0 HH2 TRP A 39 3.602 -1.391 -8.598 1.00 74.14 H new ATOM 649 N ASN A 40 -3.730 3.613 -10.156 1.00 24.33 N ATOM 650 CA ASN A 40 -4.715 4.431 -9.386 1.00 41.41 C ATOM 651 C ASN A 40 -5.495 3.549 -8.390 1.00 24.22 C ATOM 652 O ASN A 40 -5.895 4.019 -7.322 1.00 11.32 O ATOM 653 CB ASN A 40 -5.709 5.187 -10.304 1.00 20.55 C ATOM 654 CG ASN A 40 -5.029 6.267 -11.138 1.00 42.30 C ATOM 655 OD1 ASN A 40 -4.737 5.975 -12.379 1.00 13.40 O flip ATOM 656 ND2 ASN A 40 -4.799 7.376 -10.674 1.00 20.24 N flip ATOM 0 H ASN A 40 -3.979 3.474 -11.135 1.00 24.33 H new ATOM 0 HA ASN A 40 -4.138 5.178 -8.840 1.00 41.41 H new ATOM 0 HB2 ASN A 40 -6.199 4.475 -10.968 1.00 20.55 H new ATOM 0 HB3 ASN A 40 -6.489 5.642 -9.693 1.00 20.55 H new ATOM 0 HD21 ASN A 40 -5.035 7.582 -9.703 1.00 20.24 H new ATOM 0 HD22 ASN A 40 -4.371 8.095 -11.258 1.00 20.24 H new ATOM 663 N LYS A 41 -5.708 2.271 -8.774 1.00 73.20 N ATOM 664 CA LYS A 41 -6.250 1.216 -7.865 1.00 62.14 C ATOM 665 C LYS A 41 -5.431 1.173 -6.556 1.00 65.30 C ATOM 666 O LYS A 41 -5.947 1.429 -5.468 1.00 12.51 O ATOM 667 CB LYS A 41 -6.153 -0.186 -8.544 1.00 72.35 C ATOM 668 CG LYS A 41 -7.123 -0.464 -9.716 1.00 41.23 C ATOM 669 CD LYS A 41 -8.519 -0.925 -9.248 1.00 13.11 C ATOM 670 CE LYS A 41 -9.324 -1.594 -10.374 1.00 50.11 C ATOM 671 NZ LYS A 41 -10.566 -2.224 -9.868 1.00 3.33 N ATOM 0 H LYS A 41 -5.513 1.935 -9.717 1.00 73.20 H new ATOM 0 HA LYS A 41 -7.292 1.456 -7.651 1.00 62.14 H new ATOM 0 HB2 LYS A 41 -5.134 -0.317 -8.909 1.00 72.35 H new ATOM 0 HB3 LYS A 41 -6.318 -0.945 -7.780 1.00 72.35 H new ATOM 0 HG2 LYS A 41 -7.227 0.440 -10.316 1.00 41.23 H new ATOM 0 HG3 LYS A 41 -6.692 -1.228 -10.363 1.00 41.23 H new ATOM 0 HD2 LYS A 41 -8.409 -1.624 -8.419 1.00 13.11 H new ATOM 0 HD3 LYS A 41 -9.074 -0.067 -8.869 1.00 13.11 H new ATOM 0 HE2 LYS A 41 -9.576 -0.851 -11.130 1.00 50.11 H new ATOM 0 HE3 LYS A 41 -8.707 -2.349 -10.862 1.00 50.11 H new ATOM 0 HZ1 LYS A 41 -11.079 -2.664 -10.659 1.00 3.33 H new ATOM 0 HZ2 LYS A 41 -10.325 -2.951 -9.165 1.00 3.33 H new ATOM 0 HZ3 LYS A 41 -11.167 -1.500 -9.425 1.00 3.33 H new ATOM 685 N ILE A 42 -4.124 0.957 -6.730 1.00 61.42 N ATOM 686 CA ILE A 42 -3.156 0.788 -5.633 1.00 62.25 C ATOM 687 C ILE A 42 -2.903 2.119 -4.881 1.00 45.11 C ATOM 688 O ILE A 42 -2.763 2.122 -3.664 1.00 11.24 O ATOM 689 CB ILE A 42 -1.820 0.199 -6.225 1.00 64.21 C ATOM 690 CG1 ILE A 42 -2.122 -1.179 -6.906 1.00 75.25 C ATOM 691 CG2 ILE A 42 -0.701 0.068 -5.155 1.00 35.12 C ATOM 692 CD1 ILE A 42 -1.020 -1.726 -7.791 1.00 52.10 C ATOM 0 H ILE A 42 -3.697 0.893 -7.654 1.00 61.42 H new ATOM 0 HA ILE A 42 -3.565 0.094 -4.898 1.00 62.25 H new ATOM 0 HB ILE A 42 -1.440 0.898 -6.971 1.00 64.21 H new ATOM 0 HG12 ILE A 42 -2.335 -1.911 -6.127 1.00 75.25 H new ATOM 0 HG13 ILE A 42 -3.028 -1.078 -7.504 1.00 75.25 H new ATOM 0 HG21 ILE A 42 0.197 -0.343 -5.616 1.00 35.12 H new ATOM 0 HG22 ILE A 42 -0.479 1.051 -4.739 1.00 35.12 H new ATOM 0 HG23 ILE A 42 -1.036 -0.596 -4.358 1.00 35.12 H new ATOM 0 HD11 ILE A 42 -1.332 -2.682 -8.212 1.00 52.10 H new ATOM 0 HD12 ILE A 42 -0.819 -1.022 -8.599 1.00 52.10 H new ATOM 0 HD13 ILE A 42 -0.115 -1.868 -7.200 1.00 52.10 H new ATOM 704 N TYR A 43 -2.893 3.243 -5.623 1.00 10.04 N ATOM 705 CA TYR A 43 -2.636 4.600 -5.067 1.00 50.55 C ATOM 706 C TYR A 43 -3.700 4.994 -4.006 1.00 62.52 C ATOM 707 O TYR A 43 -3.373 5.553 -2.954 1.00 43.40 O ATOM 708 CB TYR A 43 -2.619 5.646 -6.217 1.00 4.31 C ATOM 709 CG TYR A 43 -2.010 7.009 -5.839 1.00 72.40 C ATOM 710 CD1 TYR A 43 -0.628 7.199 -5.875 1.00 61.02 C ATOM 711 CD2 TYR A 43 -2.803 8.097 -5.449 1.00 10.22 C ATOM 712 CE1 TYR A 43 -0.063 8.407 -5.542 1.00 13.51 C ATOM 713 CE2 TYR A 43 -2.231 9.314 -5.115 1.00 1.12 C ATOM 714 CZ TYR A 43 -0.861 9.459 -5.163 1.00 41.25 C ATOM 715 OH TYR A 43 -0.284 10.667 -4.850 1.00 63.22 O ATOM 0 H TYR A 43 -3.063 3.243 -6.629 1.00 10.04 H new ATOM 0 HA TYR A 43 -1.664 4.583 -4.573 1.00 50.55 H new ATOM 0 HB2 TYR A 43 -2.059 5.234 -7.056 1.00 4.31 H new ATOM 0 HB3 TYR A 43 -3.641 5.803 -6.562 1.00 4.31 H new ATOM 0 HD1 TYR A 43 0.011 6.380 -6.171 1.00 61.02 H new ATOM 0 HD2 TYR A 43 -3.876 7.985 -5.408 1.00 10.22 H new ATOM 0 HE1 TYR A 43 1.009 8.529 -5.578 1.00 13.51 H new ATOM 0 HE2 TYR A 43 -2.855 10.144 -4.819 1.00 1.12 H new ATOM 0 HH TYR A 43 0.159 11.034 -5.644 1.00 63.22 H new ATOM 725 N ARG A 44 -4.973 4.682 -4.316 1.00 33.00 N ATOM 726 CA ARG A 44 -6.124 4.936 -3.416 1.00 45.31 C ATOM 727 C ARG A 44 -6.080 4.027 -2.158 1.00 20.02 C ATOM 728 O ARG A 44 -6.431 4.463 -1.055 1.00 54.42 O ATOM 729 CB ARG A 44 -7.455 4.736 -4.196 1.00 11.44 C ATOM 730 CG ARG A 44 -7.685 5.764 -5.335 1.00 52.40 C ATOM 731 CD ARG A 44 -8.967 5.491 -6.154 1.00 41.13 C ATOM 732 NE ARG A 44 -8.897 4.223 -6.923 1.00 74.21 N ATOM 733 CZ ARG A 44 -9.885 3.363 -7.073 1.00 12.40 C ATOM 734 NH1 ARG A 44 -11.011 3.526 -6.457 1.00 53.23 N ATOM 735 NH2 ARG A 44 -9.730 2.326 -7.825 1.00 74.44 N ATOM 0 H ARG A 44 -5.237 4.245 -5.199 1.00 33.00 H new ATOM 0 HA ARG A 44 -6.064 5.967 -3.069 1.00 45.31 H new ATOM 0 HB2 ARG A 44 -7.467 3.732 -4.620 1.00 11.44 H new ATOM 0 HB3 ARG A 44 -8.287 4.796 -3.494 1.00 11.44 H new ATOM 0 HG2 ARG A 44 -7.742 6.764 -4.906 1.00 52.40 H new ATOM 0 HG3 ARG A 44 -6.825 5.753 -6.005 1.00 52.40 H new ATOM 0 HD2 ARG A 44 -9.823 5.456 -5.480 1.00 41.13 H new ATOM 0 HD3 ARG A 44 -9.137 6.319 -6.842 1.00 41.13 H new ATOM 0 HE ARG A 44 -8.010 3.998 -7.373 1.00 74.21 H new ATOM 0 HH11 ARG A 44 -11.145 4.330 -5.844 1.00 53.23 H new ATOM 0 HH12 ARG A 44 -11.765 2.851 -6.585 1.00 53.23 H new ATOM 0 HH21 ARG A 44 -8.843 2.171 -8.304 1.00 74.44 H new ATOM 0 HH22 ARG A 44 -10.495 1.661 -7.941 1.00 74.44 H new ATOM 749 N LEU A 45 -5.632 2.771 -2.341 1.00 25.22 N ATOM 750 CA LEU A 45 -5.493 1.790 -1.232 1.00 4.42 C ATOM 751 C LEU A 45 -4.354 2.192 -0.259 1.00 22.24 C ATOM 752 O LEU A 45 -4.512 2.092 0.953 1.00 52.44 O ATOM 753 CB LEU A 45 -5.237 0.368 -1.797 1.00 11.03 C ATOM 754 CG LEU A 45 -6.318 -0.181 -2.781 1.00 52.52 C ATOM 755 CD1 LEU A 45 -5.898 -1.537 -3.380 1.00 1.15 C ATOM 756 CD2 LEU A 45 -7.711 -0.264 -2.114 1.00 60.23 C ATOM 0 H LEU A 45 -5.356 2.403 -3.252 1.00 25.22 H new ATOM 0 HA LEU A 45 -6.428 1.787 -0.672 1.00 4.42 H new ATOM 0 HB2 LEU A 45 -4.275 0.370 -2.309 1.00 11.03 H new ATOM 0 HB3 LEU A 45 -5.151 -0.324 -0.960 1.00 11.03 H new ATOM 0 HG LEU A 45 -6.397 0.530 -3.603 1.00 52.52 H new ATOM 0 HD11 LEU A 45 -6.673 -1.890 -4.060 1.00 1.15 H new ATOM 0 HD12 LEU A 45 -4.962 -1.419 -3.926 1.00 1.15 H new ATOM 0 HD13 LEU A 45 -5.761 -2.262 -2.578 1.00 1.15 H new ATOM 0 HD21 LEU A 45 -8.435 -0.650 -2.831 1.00 60.23 H new ATOM 0 HD22 LEU A 45 -7.663 -0.930 -1.252 1.00 60.23 H new ATOM 0 HD23 LEU A 45 -8.018 0.730 -1.788 1.00 60.23 H new ATOM 768 N VAL A 46 -3.221 2.657 -0.817 1.00 50.30 N ATOM 769 CA VAL A 46 -2.047 3.127 -0.034 1.00 0.44 C ATOM 770 C VAL A 46 -2.367 4.447 0.722 1.00 74.01 C ATOM 771 O VAL A 46 -1.914 4.654 1.856 1.00 10.22 O ATOM 772 CB VAL A 46 -0.785 3.307 -0.962 1.00 0.21 C ATOM 773 CG1 VAL A 46 0.399 3.946 -0.200 1.00 72.52 C ATOM 774 CG2 VAL A 46 -0.363 1.948 -1.584 1.00 62.23 C ATOM 0 H VAL A 46 -3.087 2.720 -1.826 1.00 50.30 H new ATOM 0 HA VAL A 46 -1.817 2.363 0.708 1.00 0.44 H new ATOM 0 HB VAL A 46 -1.065 3.987 -1.766 1.00 0.21 H new ATOM 0 HG11 VAL A 46 1.249 4.053 -0.873 1.00 72.52 H new ATOM 0 HG12 VAL A 46 0.105 4.927 0.173 1.00 72.52 H new ATOM 0 HG13 VAL A 46 0.679 3.308 0.639 1.00 72.52 H new ATOM 0 HG21 VAL A 46 0.509 2.095 -2.221 1.00 62.23 H new ATOM 0 HG22 VAL A 46 -0.118 1.244 -0.789 1.00 62.23 H new ATOM 0 HG23 VAL A 46 -1.184 1.550 -2.180 1.00 62.23 H new ATOM 784 N HIS A 47 -3.164 5.320 0.076 1.00 32.12 N ATOM 785 CA HIS A 47 -3.728 6.540 0.710 1.00 23.00 C ATOM 786 C HIS A 47 -4.535 6.162 1.981 1.00 73.11 C ATOM 787 O HIS A 47 -4.428 6.816 3.028 1.00 3.24 O ATOM 788 CB HIS A 47 -4.641 7.281 -0.307 1.00 14.04 C ATOM 789 CG HIS A 47 -5.226 8.581 0.194 1.00 53.50 C ATOM 790 ND1 HIS A 47 -6.265 8.654 1.104 1.00 74.41 N ATOM 791 CD2 HIS A 47 -4.900 9.865 -0.086 1.00 51.14 C ATOM 792 CE1 HIS A 47 -6.545 9.913 1.353 1.00 75.10 C ATOM 793 NE2 HIS A 47 -5.734 10.664 0.648 1.00 54.11 N ATOM 0 H HIS A 47 -3.438 5.205 -0.900 1.00 32.12 H new ATOM 0 HA HIS A 47 -2.912 7.200 1.004 1.00 23.00 H new ATOM 0 HB2 HIS A 47 -4.065 7.483 -1.210 1.00 14.04 H new ATOM 0 HB3 HIS A 47 -5.458 6.617 -0.591 1.00 14.04 H new ATOM 0 HD1 HIS A 47 -6.741 7.853 1.518 1.00 74.41 H new ATOM 0 HD2 HIS A 47 -4.126 10.197 -0.762 1.00 51.14 H new ATOM 0 HE1 HIS A 47 -7.313 10.269 2.024 1.00 75.10 H new ATOM 802 N THR A 48 -5.338 5.090 1.848 1.00 51.50 N ATOM 803 CA THR A 48 -6.138 4.527 2.951 1.00 62.12 C ATOM 804 C THR A 48 -5.236 3.900 4.054 1.00 43.35 C ATOM 805 O THR A 48 -5.513 4.065 5.237 1.00 61.52 O ATOM 806 CB THR A 48 -7.170 3.477 2.416 1.00 52.54 C ATOM 807 OG1 THR A 48 -8.014 4.082 1.415 1.00 21.01 O ATOM 808 CG2 THR A 48 -8.054 2.889 3.534 1.00 44.30 C ATOM 0 H THR A 48 -5.450 4.588 0.967 1.00 51.50 H new ATOM 0 HA THR A 48 -6.690 5.350 3.405 1.00 62.12 H new ATOM 0 HB THR A 48 -6.593 2.659 1.986 1.00 52.54 H new ATOM 0 HG1 THR A 48 -7.500 4.215 0.591 1.00 21.01 H new ATOM 0 HG21 THR A 48 -8.750 2.168 3.106 1.00 44.30 H new ATOM 0 HG22 THR A 48 -7.424 2.392 4.272 1.00 44.30 H new ATOM 0 HG23 THR A 48 -8.613 3.691 4.015 1.00 44.30 H new ATOM 816 N MET A 49 -4.142 3.210 3.655 1.00 64.42 N ATOM 817 CA MET A 49 -3.161 2.610 4.615 1.00 31.13 C ATOM 818 C MET A 49 -2.492 3.692 5.488 1.00 31.34 C ATOM 819 O MET A 49 -2.284 3.492 6.689 1.00 44.11 O ATOM 820 CB MET A 49 -2.055 1.823 3.856 1.00 64.43 C ATOM 821 CG MET A 49 -2.570 0.644 3.052 1.00 55.30 C ATOM 822 SD MET A 49 -1.299 -0.182 2.085 1.00 25.25 S ATOM 823 CE MET A 49 -2.288 -1.418 1.250 1.00 34.45 C ATOM 0 H MET A 49 -3.908 3.050 2.675 1.00 64.42 H new ATOM 0 HA MET A 49 -3.720 1.930 5.258 1.00 31.13 H new ATOM 0 HB2 MET A 49 -1.534 2.506 3.185 1.00 64.43 H new ATOM 0 HB3 MET A 49 -1.321 1.464 4.577 1.00 64.43 H new ATOM 0 HG2 MET A 49 -3.023 -0.078 3.732 1.00 55.30 H new ATOM 0 HG3 MET A 49 -3.357 0.989 2.382 1.00 55.30 H new ATOM 0 HE1 MET A 49 -1.641 -2.055 0.646 1.00 34.45 H new ATOM 0 HE2 MET A 49 -2.809 -2.027 1.989 1.00 34.45 H new ATOM 0 HE3 MET A 49 -3.017 -0.926 0.605 1.00 34.45 H new ATOM 833 N LYS A 50 -2.171 4.831 4.852 1.00 52.24 N ATOM 834 CA LYS A 50 -1.530 5.984 5.508 1.00 61.02 C ATOM 835 C LYS A 50 -2.432 6.558 6.630 1.00 31.41 C ATOM 836 O LYS A 50 -2.010 6.665 7.781 1.00 22.44 O ATOM 837 CB LYS A 50 -1.215 7.074 4.454 1.00 73.54 C ATOM 838 CG LYS A 50 -0.468 8.309 5.008 1.00 0.15 C ATOM 839 CD LYS A 50 -0.224 9.406 3.946 1.00 43.14 C ATOM 840 CE LYS A 50 0.408 10.673 4.547 1.00 75.24 C ATOM 841 NZ LYS A 50 -0.467 11.308 5.574 1.00 52.12 N ATOM 0 H LYS A 50 -2.351 4.979 3.859 1.00 52.24 H new ATOM 0 HA LYS A 50 -0.600 5.651 5.968 1.00 61.02 H new ATOM 0 HB2 LYS A 50 -0.616 6.630 3.659 1.00 73.54 H new ATOM 0 HB3 LYS A 50 -2.150 7.404 4.002 1.00 73.54 H new ATOM 0 HG2 LYS A 50 -1.042 8.733 5.832 1.00 0.15 H new ATOM 0 HG3 LYS A 50 0.491 7.991 5.418 1.00 0.15 H new ATOM 0 HD2 LYS A 50 0.427 9.014 3.165 1.00 43.14 H new ATOM 0 HD3 LYS A 50 -1.170 9.665 3.471 1.00 43.14 H new ATOM 0 HE2 LYS A 50 1.368 10.419 4.997 1.00 75.24 H new ATOM 0 HE3 LYS A 50 0.609 11.389 3.750 1.00 75.24 H new ATOM 0 HZ1 LYS A 50 -0.606 12.311 5.339 1.00 52.12 H new ATOM 0 HZ2 LYS A 50 -1.388 10.825 5.592 1.00 52.12 H new ATOM 0 HZ3 LYS A 50 -0.018 11.231 6.509 1.00 52.12 H new ATOM 855 N GLU A 51 -3.687 6.881 6.277 1.00 51.54 N ATOM 856 CA GLU A 51 -4.674 7.446 7.239 1.00 33.01 C ATOM 857 C GLU A 51 -5.096 6.411 8.327 1.00 71.10 C ATOM 858 O GLU A 51 -5.410 6.796 9.457 1.00 72.23 O ATOM 859 CB GLU A 51 -5.904 8.030 6.483 1.00 20.34 C ATOM 860 CG GLU A 51 -6.745 7.001 5.709 1.00 65.13 C ATOM 861 CD GLU A 51 -7.794 7.642 4.785 1.00 74.10 C ATOM 862 OE1 GLU A 51 -8.835 8.112 5.286 1.00 74.11 O ATOM 863 OE2 GLU A 51 -7.589 7.677 3.549 1.00 63.22 O ATOM 0 H GLU A 51 -4.052 6.764 5.332 1.00 51.54 H new ATOM 0 HA GLU A 51 -4.187 8.264 7.770 1.00 33.01 H new ATOM 0 HB2 GLU A 51 -6.548 8.534 7.204 1.00 20.34 H new ATOM 0 HB3 GLU A 51 -5.554 8.789 5.784 1.00 20.34 H new ATOM 0 HG2 GLU A 51 -6.081 6.374 5.113 1.00 65.13 H new ATOM 0 HG3 GLU A 51 -7.249 6.346 6.420 1.00 65.13 H new ATOM 870 N ILE A 52 -5.098 5.102 7.974 1.00 13.25 N ATOM 871 CA ILE A 52 -5.330 3.983 8.941 1.00 41.40 C ATOM 872 C ILE A 52 -4.253 3.966 10.060 1.00 41.04 C ATOM 873 O ILE A 52 -4.583 3.974 11.253 1.00 53.13 O ATOM 874 CB ILE A 52 -5.380 2.569 8.191 1.00 15.31 C ATOM 875 CG1 ILE A 52 -6.785 2.332 7.538 1.00 22.22 C ATOM 876 CG2 ILE A 52 -4.976 1.365 9.094 1.00 44.22 C ATOM 877 CD1 ILE A 52 -6.939 1.011 6.793 1.00 23.52 C ATOM 0 H ILE A 52 -4.940 4.786 7.017 1.00 13.25 H new ATOM 0 HA ILE A 52 -6.299 4.157 9.408 1.00 41.40 H new ATOM 0 HB ILE A 52 -4.626 2.620 7.406 1.00 15.31 H new ATOM 0 HG12 ILE A 52 -7.544 2.381 8.319 1.00 22.22 H new ATOM 0 HG13 ILE A 52 -6.988 3.148 6.844 1.00 22.22 H new ATOM 0 HG21 ILE A 52 -5.034 0.442 8.517 1.00 44.22 H new ATOM 0 HG22 ILE A 52 -3.956 1.505 9.453 1.00 44.22 H new ATOM 0 HG23 ILE A 52 -5.655 1.304 9.945 1.00 44.22 H new ATOM 0 HD11 ILE A 52 -7.945 0.942 6.378 1.00 23.52 H new ATOM 0 HD12 ILE A 52 -6.209 0.962 5.985 1.00 23.52 H new ATOM 0 HD13 ILE A 52 -6.774 0.183 7.482 1.00 23.52 H new ATOM 889 N THR A 53 -2.971 3.937 9.668 1.00 0.53 N ATOM 890 CA THR A 53 -1.856 3.869 10.633 1.00 61.44 C ATOM 891 C THR A 53 -1.715 5.185 11.452 1.00 72.43 C ATOM 892 O THR A 53 -1.266 5.157 12.595 1.00 15.40 O ATOM 893 CB THR A 53 -0.503 3.487 9.948 1.00 71.04 C ATOM 894 OG1 THR A 53 0.517 3.386 10.919 1.00 65.51 O ATOM 895 CG2 THR A 53 -0.072 4.485 8.873 1.00 21.34 C ATOM 0 H THR A 53 -2.677 3.959 8.691 1.00 0.53 H new ATOM 0 HA THR A 53 -2.103 3.070 11.331 1.00 61.44 H new ATOM 0 HB THR A 53 -0.665 2.527 9.457 1.00 71.04 H new ATOM 0 HG1 THR A 53 0.948 4.259 11.032 1.00 65.51 H new ATOM 0 HG21 THR A 53 0.873 4.163 8.436 1.00 21.34 H new ATOM 0 HG22 THR A 53 -0.834 4.533 8.095 1.00 21.34 H new ATOM 0 HG23 THR A 53 0.052 5.471 9.321 1.00 21.34 H new ATOM 903 N GLU A 54 -2.118 6.332 10.859 1.00 63.55 N ATOM 904 CA GLU A 54 -2.165 7.642 11.569 1.00 55.00 C ATOM 905 C GLU A 54 -3.299 7.678 12.632 1.00 34.11 C ATOM 906 O GLU A 54 -3.119 8.250 13.713 1.00 53.14 O ATOM 907 CB GLU A 54 -2.325 8.808 10.551 1.00 0.22 C ATOM 908 CG GLU A 54 -1.104 9.014 9.634 1.00 34.24 C ATOM 909 CD GLU A 54 -1.292 10.126 8.585 1.00 43.14 C ATOM 910 OE1 GLU A 54 -2.062 9.927 7.626 1.00 64.24 O ATOM 911 OE2 GLU A 54 -0.661 11.201 8.703 1.00 55.31 O ATOM 0 H GLU A 54 -2.418 6.382 9.885 1.00 63.55 H new ATOM 0 HA GLU A 54 -1.219 7.768 12.097 1.00 55.00 H new ATOM 0 HB2 GLU A 54 -3.202 8.619 9.933 1.00 0.22 H new ATOM 0 HB3 GLU A 54 -2.514 9.731 11.099 1.00 0.22 H new ATOM 0 HG2 GLU A 54 -0.236 9.251 10.249 1.00 34.24 H new ATOM 0 HG3 GLU A 54 -0.885 8.077 9.121 1.00 34.24 H new ATOM 918 N THR A 55 -4.462 7.050 12.328 1.00 0.34 N ATOM 919 CA THR A 55 -5.586 6.913 13.304 1.00 3.21 C ATOM 920 C THR A 55 -5.252 5.871 14.409 1.00 31.22 C ATOM 921 O THR A 55 -5.831 5.905 15.501 1.00 65.53 O ATOM 922 CB THR A 55 -6.954 6.551 12.610 1.00 64.41 C ATOM 923 OG1 THR A 55 -6.810 5.393 11.782 1.00 62.32 O ATOM 924 CG2 THR A 55 -7.511 7.721 11.773 1.00 23.41 C ATOM 0 H THR A 55 -4.651 6.629 11.418 1.00 0.34 H new ATOM 0 HA THR A 55 -5.706 7.892 13.768 1.00 3.21 H new ATOM 0 HB THR A 55 -7.666 6.341 13.408 1.00 64.41 H new ATOM 0 HG1 THR A 55 -5.888 5.065 11.836 1.00 62.32 H new ATOM 0 HG21 THR A 55 -8.454 7.424 11.315 1.00 23.41 H new ATOM 0 HG22 THR A 55 -7.677 8.583 12.419 1.00 23.41 H new ATOM 0 HG23 THR A 55 -6.796 7.984 10.994 1.00 23.41 H new ATOM 932 N MET A 56 -4.317 4.946 14.110 1.00 13.22 N ATOM 933 CA MET A 56 -3.711 4.038 15.123 1.00 64.42 C ATOM 934 C MET A 56 -2.640 4.772 15.977 1.00 20.21 C ATOM 935 O MET A 56 -2.408 4.411 17.136 1.00 40.15 O ATOM 936 CB MET A 56 -3.063 2.802 14.441 1.00 2.24 C ATOM 937 CG MET A 56 -4.036 1.850 13.743 1.00 20.34 C ATOM 938 SD MET A 56 -3.172 0.458 12.982 1.00 64.53 S ATOM 939 CE MET A 56 -4.544 -0.534 12.410 1.00 61.20 C ATOM 0 H MET A 56 -3.958 4.803 13.166 1.00 13.22 H new ATOM 0 HA MET A 56 -4.517 3.708 15.779 1.00 64.42 H new ATOM 0 HB2 MET A 56 -2.336 3.153 13.708 1.00 2.24 H new ATOM 0 HB3 MET A 56 -2.511 2.241 15.195 1.00 2.24 H new ATOM 0 HG2 MET A 56 -4.763 1.477 14.465 1.00 20.34 H new ATOM 0 HG3 MET A 56 -4.594 2.394 12.981 1.00 20.34 H new ATOM 0 HE1 MET A 56 -4.516 -1.509 12.897 1.00 61.20 H new ATOM 0 HE2 MET A 56 -5.481 -0.034 12.654 1.00 61.20 H new ATOM 0 HE3 MET A 56 -4.473 -0.665 11.330 1.00 61.20 H new ATOM 949 N GLY A 57 -1.994 5.796 15.384 1.00 63.44 N ATOM 950 CA GLY A 57 -0.949 6.591 16.062 1.00 23.12 C ATOM 951 C GLY A 57 0.474 6.322 15.541 1.00 52.24 C ATOM 952 O GLY A 57 1.424 7.000 15.948 1.00 2.03 O ATOM 0 H GLY A 57 -2.180 6.094 14.427 1.00 63.44 H new ATOM 0 HA2 GLY A 57 -1.176 7.650 15.941 1.00 23.12 H new ATOM 0 HA3 GLY A 57 -0.981 6.379 17.131 1.00 23.12 H new ATOM 956 N PHE A 58 0.622 5.333 14.635 1.00 62.02 N ATOM 957 CA PHE A 58 1.923 4.951 14.044 1.00 1.41 C ATOM 958 C PHE A 58 2.297 5.880 12.847 1.00 22.20 C ATOM 959 O PHE A 58 2.147 5.512 11.675 1.00 30.24 O ATOM 960 CB PHE A 58 1.862 3.468 13.594 1.00 21.45 C ATOM 961 CG PHE A 58 1.735 2.429 14.707 1.00 24.12 C ATOM 962 CD1 PHE A 58 2.857 2.002 15.418 1.00 72.34 C ATOM 963 CD2 PHE A 58 0.500 1.852 15.016 1.00 41.13 C ATOM 964 CE1 PHE A 58 2.747 1.039 16.408 1.00 72.51 C ATOM 965 CE2 PHE A 58 0.392 0.886 16.001 1.00 41.32 C ATOM 966 CZ PHE A 58 1.515 0.479 16.695 1.00 73.54 C ATOM 0 H PHE A 58 -0.159 4.775 14.291 1.00 62.02 H new ATOM 0 HA PHE A 58 2.702 5.069 14.798 1.00 1.41 H new ATOM 0 HB2 PHE A 58 1.016 3.350 12.917 1.00 21.45 H new ATOM 0 HB3 PHE A 58 2.762 3.247 13.020 1.00 21.45 H new ATOM 0 HD1 PHE A 58 3.824 2.428 15.194 1.00 72.34 H new ATOM 0 HD2 PHE A 58 -0.383 2.165 14.478 1.00 41.13 H new ATOM 0 HE1 PHE A 58 3.623 0.725 16.956 1.00 72.51 H new ATOM 0 HE2 PHE A 58 -0.570 0.450 16.227 1.00 41.32 H new ATOM 0 HZ PHE A 58 1.431 -0.277 17.462 1.00 73.54 H new ATOM 976 N SER A 59 2.761 7.103 13.160 1.00 43.10 N ATOM 977 CA SER A 59 3.224 8.090 12.141 1.00 51.44 C ATOM 978 C SER A 59 4.453 7.582 11.342 1.00 63.02 C ATOM 979 O SER A 59 4.668 7.969 10.185 1.00 11.02 O ATOM 980 CB SER A 59 3.557 9.433 12.826 1.00 73.24 C ATOM 981 OG SER A 59 2.425 9.950 13.507 1.00 40.20 O ATOM 0 H SER A 59 2.830 7.444 14.119 1.00 43.10 H new ATOM 0 HA SER A 59 2.411 8.229 11.428 1.00 51.44 H new ATOM 0 HB2 SER A 59 4.377 9.293 13.530 1.00 73.24 H new ATOM 0 HB3 SER A 59 3.897 10.152 12.080 1.00 73.24 H new ATOM 0 HG SER A 59 2.660 10.800 13.934 1.00 40.20 H new ATOM 987 N SER A 60 5.239 6.710 11.995 1.00 44.32 N ATOM 988 CA SER A 60 6.421 6.041 11.405 1.00 62.13 C ATOM 989 C SER A 60 6.053 5.182 10.169 1.00 13.22 C ATOM 990 O SER A 60 6.760 5.200 9.150 1.00 42.11 O ATOM 991 CB SER A 60 7.092 5.160 12.486 1.00 55.25 C ATOM 992 OG SER A 60 6.171 4.226 13.039 1.00 14.01 O ATOM 0 H SER A 60 5.072 6.442 12.965 1.00 44.32 H new ATOM 0 HA SER A 60 7.111 6.811 11.062 1.00 62.13 H new ATOM 0 HB2 SER A 60 7.936 4.626 12.050 1.00 55.25 H new ATOM 0 HB3 SER A 60 7.490 5.794 13.278 1.00 55.25 H new ATOM 0 HG SER A 60 6.624 3.683 13.717 1.00 14.01 H new ATOM 998 N VAL A 61 4.933 4.445 10.272 1.00 54.21 N ATOM 999 CA VAL A 61 4.434 3.580 9.177 1.00 25.10 C ATOM 1000 C VAL A 61 3.881 4.434 8.009 1.00 62.22 C ATOM 1001 O VAL A 61 4.112 4.117 6.839 1.00 13.52 O ATOM 1002 CB VAL A 61 3.323 2.591 9.682 1.00 20.21 C ATOM 1003 CG1 VAL A 61 2.916 1.568 8.589 1.00 54.14 C ATOM 1004 CG2 VAL A 61 3.756 1.879 10.982 1.00 74.51 C ATOM 0 H VAL A 61 4.349 4.429 11.108 1.00 54.21 H new ATOM 0 HA VAL A 61 5.280 2.992 8.821 1.00 25.10 H new ATOM 0 HB VAL A 61 2.440 3.189 9.906 1.00 20.21 H new ATOM 0 HG11 VAL A 61 2.146 0.904 8.981 1.00 54.14 H new ATOM 0 HG12 VAL A 61 2.529 2.099 7.719 1.00 54.14 H new ATOM 0 HG13 VAL A 61 3.787 0.981 8.298 1.00 54.14 H new ATOM 0 HG21 VAL A 61 2.966 1.201 11.306 1.00 74.51 H new ATOM 0 HG22 VAL A 61 4.669 1.312 10.799 1.00 74.51 H new ATOM 0 HG23 VAL A 61 3.939 2.621 11.759 1.00 74.51 H new ATOM 1014 N ALA A 62 3.171 5.536 8.345 1.00 61.20 N ATOM 1015 CA ALA A 62 2.616 6.485 7.340 1.00 24.52 C ATOM 1016 C ALA A 62 3.707 7.091 6.445 1.00 31.11 C ATOM 1017 O ALA A 62 3.452 7.371 5.281 1.00 52.41 O ATOM 1018 CB ALA A 62 1.829 7.614 8.011 1.00 60.14 C ATOM 0 H ALA A 62 2.966 5.795 9.310 1.00 61.20 H new ATOM 0 HA ALA A 62 1.943 5.900 6.713 1.00 24.52 H new ATOM 0 HB1 ALA A 62 1.438 8.288 7.249 1.00 60.14 H new ATOM 0 HB2 ALA A 62 1.001 7.192 8.581 1.00 60.14 H new ATOM 0 HB3 ALA A 62 2.486 8.167 8.682 1.00 60.14 H new ATOM 1024 N LYS A 63 4.907 7.307 7.016 1.00 22.21 N ATOM 1025 CA LYS A 63 6.085 7.784 6.263 1.00 4.00 C ATOM 1026 C LYS A 63 6.536 6.741 5.205 1.00 72.25 C ATOM 1027 O LYS A 63 6.856 7.098 4.067 1.00 14.43 O ATOM 1028 CB LYS A 63 7.241 8.125 7.239 1.00 52.01 C ATOM 1029 CG LYS A 63 8.499 8.711 6.557 1.00 31.15 C ATOM 1030 CD LYS A 63 9.595 9.129 7.562 1.00 64.24 C ATOM 1031 CE LYS A 63 10.830 9.728 6.869 1.00 64.01 C ATOM 1032 NZ LYS A 63 11.851 10.185 7.843 1.00 1.10 N ATOM 0 H LYS A 63 5.088 7.157 8.008 1.00 22.21 H new ATOM 0 HA LYS A 63 5.806 8.691 5.727 1.00 4.00 H new ATOM 0 HB2 LYS A 63 6.878 8.838 7.979 1.00 52.01 H new ATOM 0 HB3 LYS A 63 7.523 7.221 7.779 1.00 52.01 H new ATOM 0 HG2 LYS A 63 8.909 7.972 5.868 1.00 31.15 H new ATOM 0 HG3 LYS A 63 8.212 9.577 5.961 1.00 31.15 H new ATOM 0 HD2 LYS A 63 9.184 9.858 8.260 1.00 64.24 H new ATOM 0 HD3 LYS A 63 9.896 8.261 8.148 1.00 64.24 H new ATOM 0 HE2 LYS A 63 11.270 8.983 6.206 1.00 64.01 H new ATOM 0 HE3 LYS A 63 10.523 10.568 6.245 1.00 64.01 H new ATOM 0 HZ1 LYS A 63 12.665 10.581 7.332 1.00 1.10 H new ATOM 0 HZ2 LYS A 63 11.440 10.915 8.459 1.00 1.10 H new ATOM 0 HZ3 LYS A 63 12.164 9.379 8.421 1.00 1.10 H new ATOM 1046 N VAL A 64 6.522 5.450 5.589 1.00 20.43 N ATOM 1047 CA VAL A 64 6.862 4.327 4.677 1.00 25.43 C ATOM 1048 C VAL A 64 5.821 4.203 3.526 1.00 31.02 C ATOM 1049 O VAL A 64 6.182 3.987 2.370 1.00 5.40 O ATOM 1050 CB VAL A 64 6.968 2.963 5.465 1.00 31.10 C ATOM 1051 CG1 VAL A 64 7.313 1.773 4.531 1.00 64.42 C ATOM 1052 CG2 VAL A 64 7.990 3.075 6.628 1.00 44.23 C ATOM 0 H VAL A 64 6.277 5.151 6.533 1.00 20.43 H new ATOM 0 HA VAL A 64 7.836 4.547 4.239 1.00 25.43 H new ATOM 0 HB VAL A 64 5.985 2.759 5.890 1.00 31.10 H new ATOM 0 HG11 VAL A 64 7.375 0.856 5.117 1.00 64.42 H new ATOM 0 HG12 VAL A 64 6.536 1.667 3.774 1.00 64.42 H new ATOM 0 HG13 VAL A 64 8.271 1.958 4.044 1.00 64.42 H new ATOM 0 HG21 VAL A 64 8.046 2.123 7.156 1.00 44.23 H new ATOM 0 HG22 VAL A 64 8.972 3.325 6.227 1.00 44.23 H new ATOM 0 HG23 VAL A 64 7.671 3.855 7.319 1.00 44.23 H new ATOM 1062 N LEU A 65 4.530 4.368 3.861 1.00 65.14 N ATOM 1063 CA LEU A 65 3.426 4.351 2.864 1.00 14.42 C ATOM 1064 C LEU A 65 3.413 5.642 2.016 1.00 54.13 C ATOM 1065 O LEU A 65 3.011 5.621 0.851 1.00 43.20 O ATOM 1066 CB LEU A 65 2.048 4.107 3.558 1.00 54.32 C ATOM 1067 CG LEU A 65 1.715 2.622 3.924 1.00 24.45 C ATOM 1068 CD1 LEU A 65 1.589 1.749 2.659 1.00 21.25 C ATOM 1069 CD2 LEU A 65 2.752 2.033 4.894 1.00 73.32 C ATOM 0 H LEU A 65 4.216 4.516 4.820 1.00 65.14 H new ATOM 0 HA LEU A 65 3.605 3.519 2.183 1.00 14.42 H new ATOM 0 HB2 LEU A 65 2.014 4.701 4.471 1.00 54.32 H new ATOM 0 HB3 LEU A 65 1.262 4.483 2.903 1.00 54.32 H new ATOM 0 HG LEU A 65 0.750 2.623 4.431 1.00 24.45 H new ATOM 0 HD11 LEU A 65 1.357 0.723 2.946 1.00 21.25 H new ATOM 0 HD12 LEU A 65 0.791 2.138 2.027 1.00 21.25 H new ATOM 0 HD13 LEU A 65 2.530 1.768 2.109 1.00 21.25 H new ATOM 0 HD21 LEU A 65 2.488 1.001 5.126 1.00 73.32 H new ATOM 0 HD22 LEU A 65 3.739 2.061 4.432 1.00 73.32 H new ATOM 0 HD23 LEU A 65 2.765 2.619 5.813 1.00 73.32 H new ATOM 1081 N HIS A 66 3.897 6.747 2.598 1.00 31.41 N ATOM 1082 CA HIS A 66 4.017 8.046 1.906 1.00 61.12 C ATOM 1083 C HIS A 66 5.064 7.971 0.765 1.00 54.34 C ATOM 1084 O HIS A 66 4.951 8.690 -0.239 1.00 64.55 O ATOM 1085 CB HIS A 66 4.371 9.148 2.930 1.00 32.34 C ATOM 1086 CG HIS A 66 4.330 10.552 2.391 1.00 14.54 C ATOM 1087 ND1 HIS A 66 5.433 11.211 1.889 1.00 1.22 N ATOM 1088 CD2 HIS A 66 3.299 11.419 2.282 1.00 45.23 C ATOM 1089 CE1 HIS A 66 5.081 12.411 1.484 1.00 55.35 C ATOM 1090 NE2 HIS A 66 3.794 12.566 1.714 1.00 35.12 N ATOM 0 H HIS A 66 4.219 6.770 3.566 1.00 31.41 H new ATOM 0 HA HIS A 66 3.061 8.296 1.447 1.00 61.12 H new ATOM 0 HB2 HIS A 66 3.681 9.077 3.771 1.00 32.34 H new ATOM 0 HB3 HIS A 66 5.370 8.953 3.320 1.00 32.34 H new ATOM 0 HD2 HIS A 66 2.278 11.242 2.585 1.00 45.23 H new ATOM 0 HE1 HIS A 66 5.736 13.145 1.038 1.00 55.35 H new ATOM 0 HE2 HIS A 66 3.252 13.404 1.504 1.00 35.12 H new ATOM 1099 N THR A 67 6.074 7.080 0.920 1.00 21.03 N ATOM 1100 CA THR A 67 7.093 6.849 -0.142 1.00 31.55 C ATOM 1101 C THR A 67 6.471 6.091 -1.337 1.00 15.12 C ATOM 1102 O THR A 67 6.931 6.228 -2.474 1.00 33.42 O ATOM 1103 CB THR A 67 8.350 6.039 0.346 1.00 35.11 C ATOM 1104 OG1 THR A 67 8.029 4.648 0.528 1.00 23.45 O ATOM 1105 CG2 THR A 67 8.927 6.587 1.653 1.00 2.43 C ATOM 0 H THR A 67 6.207 6.514 1.758 1.00 21.03 H new ATOM 0 HA THR A 67 7.429 7.844 -0.435 1.00 31.55 H new ATOM 0 HB THR A 67 9.102 6.148 -0.435 1.00 35.11 H new ATOM 0 HG1 THR A 67 7.499 4.539 1.345 1.00 23.45 H new ATOM 0 HG21 THR A 67 9.792 5.993 1.946 1.00 2.43 H new ATOM 0 HG22 THR A 67 9.230 7.624 1.510 1.00 2.43 H new ATOM 0 HG23 THR A 67 8.170 6.535 2.435 1.00 2.43 H new ATOM 1113 N ILE A 68 5.405 5.297 -1.064 1.00 2.23 N ATOM 1114 CA ILE A 68 4.727 4.480 -2.098 1.00 42.35 C ATOM 1115 C ILE A 68 3.846 5.404 -2.945 1.00 44.33 C ATOM 1116 O ILE A 68 3.685 5.214 -4.144 1.00 24.43 O ATOM 1117 CB ILE A 68 3.846 3.321 -1.483 1.00 30.43 C ATOM 1118 CG1 ILE A 68 4.557 2.636 -0.272 1.00 23.40 C ATOM 1119 CG2 ILE A 68 3.452 2.278 -2.563 1.00 63.04 C ATOM 1120 CD1 ILE A 68 5.973 2.186 -0.529 1.00 52.34 C ATOM 0 H ILE A 68 4.997 5.206 -0.134 1.00 2.23 H new ATOM 0 HA ILE A 68 5.495 4.001 -2.706 1.00 42.35 H new ATOM 0 HB ILE A 68 2.929 3.777 -1.109 1.00 30.43 H new ATOM 0 HG12 ILE A 68 4.561 3.331 0.567 1.00 23.40 H new ATOM 0 HG13 ILE A 68 3.968 1.771 0.033 1.00 23.40 H new ATOM 0 HG21 ILE A 68 2.847 1.494 -2.108 1.00 63.04 H new ATOM 0 HG22 ILE A 68 2.879 2.768 -3.350 1.00 63.04 H new ATOM 0 HG23 ILE A 68 4.353 1.838 -2.990 1.00 63.04 H new ATOM 0 HD11 ILE A 68 6.377 1.724 0.372 1.00 52.34 H new ATOM 0 HD12 ILE A 68 5.982 1.462 -1.344 1.00 52.34 H new ATOM 0 HD13 ILE A 68 6.584 3.046 -0.801 1.00 52.34 H new ATOM 1132 N MET A 69 3.291 6.423 -2.270 1.00 51.00 N ATOM 1133 CA MET A 69 2.511 7.484 -2.914 1.00 41.31 C ATOM 1134 C MET A 69 3.406 8.295 -3.878 1.00 4.11 C ATOM 1135 O MET A 69 3.030 8.520 -5.010 1.00 12.53 O ATOM 1136 CB MET A 69 1.872 8.414 -1.857 1.00 33.44 C ATOM 1137 CG MET A 69 1.174 7.678 -0.705 1.00 42.22 C ATOM 1138 SD MET A 69 -0.028 8.703 0.174 1.00 44.53 S ATOM 1139 CE MET A 69 -1.176 9.128 -1.139 1.00 11.32 C ATOM 0 H MET A 69 3.373 6.532 -1.259 1.00 51.00 H new ATOM 0 HA MET A 69 1.708 7.021 -3.488 1.00 41.31 H new ATOM 0 HB2 MET A 69 2.646 9.060 -1.443 1.00 33.44 H new ATOM 0 HB3 MET A 69 1.147 9.061 -2.351 1.00 33.44 H new ATOM 0 HG2 MET A 69 0.670 6.796 -1.099 1.00 42.22 H new ATOM 0 HG3 MET A 69 1.926 7.326 0.001 1.00 42.22 H new ATOM 0 HE1 MET A 69 -2.185 9.198 -0.732 1.00 11.32 H new ATOM 0 HE2 MET A 69 -0.893 10.087 -1.573 1.00 11.32 H new ATOM 0 HE3 MET A 69 -1.148 8.358 -1.910 1.00 11.32 H new ATOM 1149 N ASN A 70 4.608 8.686 -3.406 1.00 65.02 N ATOM 1150 CA ASN A 70 5.629 9.373 -4.246 1.00 61.31 C ATOM 1151 C ASN A 70 6.006 8.516 -5.488 1.00 1.34 C ATOM 1152 O ASN A 70 6.126 9.028 -6.612 1.00 60.14 O ATOM 1153 CB ASN A 70 6.897 9.651 -3.398 1.00 23.05 C ATOM 1154 CG ASN A 70 7.970 10.453 -4.147 1.00 5.32 C ATOM 1155 OD1 ASN A 70 7.997 11.676 -4.107 1.00 32.53 O ATOM 1156 ND2 ASN A 70 8.854 9.767 -4.853 1.00 32.43 N ATOM 0 H ASN A 70 4.903 8.539 -2.441 1.00 65.02 H new ATOM 0 HA ASN A 70 5.206 10.314 -4.599 1.00 61.31 H new ATOM 0 HB2 ASN A 70 6.611 10.195 -2.498 1.00 23.05 H new ATOM 0 HB3 ASN A 70 7.324 8.702 -3.075 1.00 23.05 H new ATOM 0 HD21 ASN A 70 9.578 10.257 -5.379 1.00 32.43 H new ATOM 0 HD22 ASN A 70 8.812 8.748 -4.871 1.00 32.43 H new ATOM 1163 N LEU A 71 6.182 7.209 -5.239 1.00 72.42 N ATOM 1164 CA LEU A 71 6.617 6.222 -6.246 1.00 40.25 C ATOM 1165 C LEU A 71 5.561 6.085 -7.383 1.00 33.31 C ATOM 1166 O LEU A 71 5.858 6.335 -8.558 1.00 51.11 O ATOM 1167 CB LEU A 71 6.878 4.862 -5.505 1.00 2.15 C ATOM 1168 CG LEU A 71 7.822 3.816 -6.188 1.00 61.33 C ATOM 1169 CD1 LEU A 71 8.144 2.642 -5.228 1.00 70.11 C ATOM 1170 CD2 LEU A 71 7.237 3.279 -7.506 1.00 63.51 C ATOM 0 H LEU A 71 6.024 6.799 -4.318 1.00 72.42 H new ATOM 0 HA LEU A 71 7.538 6.547 -6.730 1.00 40.25 H new ATOM 0 HB2 LEU A 71 7.291 5.092 -4.523 1.00 2.15 H new ATOM 0 HB3 LEU A 71 5.913 4.382 -5.340 1.00 2.15 H new ATOM 0 HG LEU A 71 8.748 4.339 -6.426 1.00 61.33 H new ATOM 0 HD11 LEU A 71 8.801 1.932 -5.730 1.00 70.11 H new ATOM 0 HD12 LEU A 71 8.639 3.027 -4.336 1.00 70.11 H new ATOM 0 HD13 LEU A 71 7.219 2.141 -4.942 1.00 70.11 H new ATOM 0 HD21 LEU A 71 7.927 2.557 -7.943 1.00 63.51 H new ATOM 0 HD22 LEU A 71 6.281 2.794 -7.309 1.00 63.51 H new ATOM 0 HD23 LEU A 71 7.088 4.105 -8.201 1.00 63.51 H new ATOM 1182 N VAL A 72 4.335 5.699 -7.000 1.00 61.24 N ATOM 1183 CA VAL A 72 3.200 5.496 -7.932 1.00 0.25 C ATOM 1184 C VAL A 72 2.728 6.830 -8.598 1.00 33.23 C ATOM 1185 O VAL A 72 2.230 6.826 -9.734 1.00 13.31 O ATOM 1186 CB VAL A 72 2.010 4.765 -7.208 1.00 34.02 C ATOM 1187 CG1 VAL A 72 0.848 4.488 -8.184 1.00 24.31 C ATOM 1188 CG2 VAL A 72 2.488 3.446 -6.535 1.00 20.44 C ATOM 0 H VAL A 72 4.094 5.515 -6.026 1.00 61.24 H new ATOM 0 HA VAL A 72 3.556 4.856 -8.739 1.00 0.25 H new ATOM 0 HB VAL A 72 1.643 5.430 -6.427 1.00 34.02 H new ATOM 0 HG11 VAL A 72 0.041 3.982 -7.654 1.00 24.31 H new ATOM 0 HG12 VAL A 72 0.481 5.431 -8.590 1.00 24.31 H new ATOM 0 HG13 VAL A 72 1.200 3.855 -8.999 1.00 24.31 H new ATOM 0 HG21 VAL A 72 1.644 2.962 -6.042 1.00 20.44 H new ATOM 0 HG22 VAL A 72 2.897 2.778 -7.293 1.00 20.44 H new ATOM 0 HG23 VAL A 72 3.258 3.672 -5.797 1.00 20.44 H new ATOM 1198 N ASP A 73 2.908 7.965 -7.892 1.00 33.03 N ATOM 1199 CA ASP A 73 2.639 9.318 -8.446 1.00 55.30 C ATOM 1200 C ASP A 73 3.561 9.587 -9.670 1.00 14.24 C ATOM 1201 O ASP A 73 3.119 10.119 -10.684 1.00 10.43 O ATOM 1202 CB ASP A 73 2.860 10.400 -7.354 1.00 22.14 C ATOM 1203 CG ASP A 73 2.287 11.782 -7.713 1.00 15.34 C ATOM 1204 OD1 ASP A 73 2.941 12.542 -8.461 1.00 62.02 O ATOM 1205 OD2 ASP A 73 1.179 12.120 -7.237 1.00 20.23 O ATOM 0 H ASP A 73 3.241 7.976 -6.928 1.00 33.03 H new ATOM 0 HA ASP A 73 1.600 9.364 -8.774 1.00 55.30 H new ATOM 0 HB2 ASP A 73 2.404 10.060 -6.424 1.00 22.14 H new ATOM 0 HB3 ASP A 73 3.929 10.499 -7.167 1.00 22.14 H new ATOM 1210 N LYS A 74 4.848 9.190 -9.539 1.00 0.44 N ATOM 1211 CA LYS A 74 5.844 9.264 -10.637 1.00 53.23 C ATOM 1212 C LYS A 74 5.559 8.226 -11.752 1.00 51.02 C ATOM 1213 O LYS A 74 5.873 8.459 -12.922 1.00 61.43 O ATOM 1214 CB LYS A 74 7.297 9.097 -10.082 1.00 64.31 C ATOM 1215 CG LYS A 74 7.971 10.412 -9.621 1.00 52.01 C ATOM 1216 CD LYS A 74 8.157 11.423 -10.780 1.00 14.34 C ATOM 1217 CE LYS A 74 8.798 12.751 -10.340 1.00 53.12 C ATOM 1218 NZ LYS A 74 7.921 13.516 -9.414 1.00 11.04 N ATOM 0 H LYS A 74 5.226 8.810 -8.671 1.00 0.44 H new ATOM 0 HA LYS A 74 5.756 10.253 -11.086 1.00 53.23 H new ATOM 0 HB2 LYS A 74 7.272 8.404 -9.241 1.00 64.31 H new ATOM 0 HB3 LYS A 74 7.915 8.640 -10.854 1.00 64.31 H new ATOM 0 HG2 LYS A 74 7.368 10.870 -8.837 1.00 52.01 H new ATOM 0 HG3 LYS A 74 8.943 10.184 -9.183 1.00 52.01 H new ATOM 0 HD2 LYS A 74 8.777 10.968 -11.552 1.00 14.34 H new ATOM 0 HD3 LYS A 74 7.186 11.629 -11.231 1.00 14.34 H new ATOM 0 HE2 LYS A 74 9.751 12.549 -9.852 1.00 53.12 H new ATOM 0 HE3 LYS A 74 9.013 13.358 -11.219 1.00 53.12 H new ATOM 0 HZ1 LYS A 74 8.361 14.433 -9.197 1.00 11.04 H new ATOM 0 HZ2 LYS A 74 6.996 13.674 -9.863 1.00 11.04 H new ATOM 0 HZ3 LYS A 74 7.791 12.977 -8.534 1.00 11.04 H new ATOM 1232 N MET A 75 4.977 7.080 -11.382 1.00 33.12 N ATOM 1233 CA MET A 75 4.551 6.054 -12.358 1.00 31.43 C ATOM 1234 C MET A 75 3.473 6.603 -13.321 1.00 44.42 C ATOM 1235 O MET A 75 3.528 6.337 -14.526 1.00 31.30 O ATOM 1236 CB MET A 75 4.029 4.804 -11.618 1.00 44.41 C ATOM 1237 CG MET A 75 5.112 4.046 -10.853 1.00 22.34 C ATOM 1238 SD MET A 75 4.445 2.618 -9.980 1.00 63.24 S ATOM 1239 CE MET A 75 5.804 1.466 -10.103 1.00 15.40 C ATOM 0 H MET A 75 4.787 6.833 -10.411 1.00 33.12 H new ATOM 0 HA MET A 75 5.418 5.777 -12.957 1.00 31.43 H new ATOM 0 HB2 MET A 75 3.248 5.106 -10.921 1.00 44.41 H new ATOM 0 HB3 MET A 75 3.568 4.131 -12.341 1.00 44.41 H new ATOM 0 HG2 MET A 75 5.885 3.718 -11.548 1.00 22.34 H new ATOM 0 HG3 MET A 75 5.589 4.717 -10.139 1.00 22.34 H new ATOM 0 HE1 MET A 75 5.620 0.615 -9.447 1.00 15.40 H new ATOM 0 HE2 MET A 75 5.894 1.118 -11.132 1.00 15.40 H new ATOM 0 HE3 MET A 75 6.728 1.961 -9.805 1.00 15.40 H new ATOM 1249 N LEU A 76 2.534 7.400 -12.767 1.00 3.24 N ATOM 1250 CA LEU A 76 1.417 8.022 -13.528 1.00 43.30 C ATOM 1251 C LEU A 76 1.919 8.872 -14.738 1.00 53.25 C ATOM 1252 O LEU A 76 1.229 8.987 -15.759 1.00 12.32 O ATOM 1253 CB LEU A 76 0.559 8.906 -12.578 1.00 22.44 C ATOM 1254 CG LEU A 76 -0.811 9.403 -13.150 1.00 33.04 C ATOM 1255 CD1 LEU A 76 -1.744 8.219 -13.488 1.00 11.52 C ATOM 1256 CD2 LEU A 76 -1.498 10.398 -12.186 1.00 35.50 C ATOM 0 H LEU A 76 2.525 7.634 -11.774 1.00 3.24 H new ATOM 0 HA LEU A 76 0.810 7.212 -13.933 1.00 43.30 H new ATOM 0 HB2 LEU A 76 0.365 8.342 -11.666 1.00 22.44 H new ATOM 0 HB3 LEU A 76 1.149 9.778 -12.294 1.00 22.44 H new ATOM 0 HG LEU A 76 -0.602 9.934 -14.079 1.00 33.04 H new ATOM 0 HD11 LEU A 76 -2.686 8.599 -13.883 1.00 11.52 H new ATOM 0 HD12 LEU A 76 -1.268 7.583 -14.234 1.00 11.52 H new ATOM 0 HD13 LEU A 76 -1.937 7.638 -12.586 1.00 11.52 H new ATOM 0 HD21 LEU A 76 -2.446 10.723 -12.614 1.00 35.50 H new ATOM 0 HD22 LEU A 76 -1.680 9.910 -11.228 1.00 35.50 H new ATOM 0 HD23 LEU A 76 -0.852 11.263 -12.035 1.00 35.50 H new ATOM 1268 N ASN A 77 3.125 9.464 -14.603 1.00 21.34 N ATOM 1269 CA ASN A 77 3.752 10.285 -15.672 1.00 30.20 C ATOM 1270 C ASN A 77 4.762 9.461 -16.519 1.00 23.51 C ATOM 1271 O ASN A 77 5.523 8.636 -16.001 1.00 63.20 O ATOM 1272 CB ASN A 77 4.405 11.588 -15.095 1.00 64.10 C ATOM 1273 CG ASN A 77 4.845 11.489 -13.642 1.00 71.02 C ATOM 1274 OD1 ASN A 77 5.986 11.199 -13.336 1.00 75.23 O ATOM 1275 ND2 ASN A 77 3.926 11.705 -12.730 1.00 62.25 N ATOM 0 H ASN A 77 3.691 9.390 -13.758 1.00 21.34 H new ATOM 0 HA ASN A 77 2.953 10.596 -16.345 1.00 30.20 H new ATOM 0 HB2 ASN A 77 5.270 11.846 -15.706 1.00 64.10 H new ATOM 0 HB3 ASN A 77 3.693 12.408 -15.190 1.00 64.10 H new ATOM 0 HD21 ASN A 77 4.162 11.631 -11.740 1.00 62.25 H new ATOM 0 HD22 ASN A 77 2.976 11.947 -13.011 1.00 62.25 H new ATOM 1282 N SER A 78 4.775 9.756 -17.838 1.00 0.40 N ATOM 1283 CA SER A 78 5.567 9.016 -18.859 1.00 13.41 C ATOM 1284 C SER A 78 7.088 9.315 -18.789 1.00 63.42 C ATOM 1285 O SER A 78 7.881 8.701 -19.514 1.00 62.11 O ATOM 1286 CB SER A 78 5.029 9.363 -20.270 1.00 63.54 C ATOM 1287 OG SER A 78 3.642 9.072 -20.388 1.00 42.12 O ATOM 0 H SER A 78 4.231 10.523 -18.233 1.00 0.40 H new ATOM 0 HA SER A 78 5.449 7.953 -18.650 1.00 13.41 H new ATOM 0 HB2 SER A 78 5.198 10.420 -20.475 1.00 63.54 H new ATOM 0 HB3 SER A 78 5.584 8.800 -21.020 1.00 63.54 H new ATOM 0 HG SER A 78 3.335 9.304 -21.289 1.00 42.12 H new ATOM 1293 N GLU A 79 7.483 10.258 -17.909 1.00 43.31 N ATOM 1294 CA GLU A 79 8.903 10.628 -17.681 1.00 74.50 C ATOM 1295 C GLU A 79 9.681 9.461 -17.021 1.00 73.44 C ATOM 1296 O GLU A 79 10.894 9.322 -17.195 1.00 74.15 O ATOM 1297 CB GLU A 79 8.981 11.904 -16.789 1.00 31.35 C ATOM 1298 CG GLU A 79 8.325 11.748 -15.404 1.00 23.22 C ATOM 1299 CD GLU A 79 8.482 12.975 -14.491 1.00 22.13 C ATOM 1300 OE1 GLU A 79 9.528 13.097 -13.821 1.00 4.33 O ATOM 1301 OE2 GLU A 79 7.566 13.824 -14.442 1.00 2.15 O ATOM 0 H GLU A 79 6.828 10.788 -17.333 1.00 43.31 H new ATOM 0 HA GLU A 79 9.365 10.838 -18.646 1.00 74.50 H new ATOM 0 HB2 GLU A 79 10.028 12.176 -16.654 1.00 31.35 H new ATOM 0 HB3 GLU A 79 8.502 12.731 -17.314 1.00 31.35 H new ATOM 0 HG2 GLU A 79 7.263 11.543 -15.538 1.00 23.22 H new ATOM 0 HG3 GLU A 79 8.757 10.880 -14.905 1.00 23.22 H new ATOM 1308 N ILE A 80 8.942 8.638 -16.264 1.00 34.23 N ATOM 1309 CA ILE A 80 9.475 7.471 -15.530 1.00 24.42 C ATOM 1310 C ILE A 80 9.159 6.161 -16.291 1.00 1.32 C ATOM 1311 O ILE A 80 10.025 5.289 -16.431 1.00 54.31 O ATOM 1312 CB ILE A 80 8.841 7.432 -14.093 1.00 21.43 C ATOM 1313 CG1 ILE A 80 9.095 8.796 -13.363 1.00 74.24 C ATOM 1314 CG2 ILE A 80 9.340 6.219 -13.255 1.00 72.11 C ATOM 1315 CD1 ILE A 80 10.511 9.022 -12.849 1.00 73.11 C ATOM 0 H ILE A 80 7.937 8.763 -16.139 1.00 34.23 H new ATOM 0 HA ILE A 80 10.558 7.562 -15.448 1.00 24.42 H new ATOM 0 HB ILE A 80 7.766 7.292 -14.201 1.00 21.43 H new ATOM 0 HG12 ILE A 80 8.845 9.605 -14.049 1.00 74.24 H new ATOM 0 HG13 ILE A 80 8.407 8.868 -12.520 1.00 74.24 H new ATOM 0 HG21 ILE A 80 8.872 6.239 -12.271 1.00 72.11 H new ATOM 0 HG22 ILE A 80 9.076 5.292 -13.764 1.00 72.11 H new ATOM 0 HG23 ILE A 80 10.423 6.275 -13.143 1.00 72.11 H new ATOM 0 HD11 ILE A 80 10.570 9.996 -12.363 1.00 73.11 H new ATOM 0 HD12 ILE A 80 10.767 8.242 -12.132 1.00 73.11 H new ATOM 0 HD13 ILE A 80 11.211 8.990 -13.684 1.00 73.11 H new ATOM 1327 N LYS A 81 7.880 6.024 -16.726 1.00 13.11 N ATOM 1328 CA LYS A 81 7.384 4.889 -17.562 1.00 14.13 C ATOM 1329 C LYS A 81 7.514 3.497 -16.855 1.00 54.53 C ATOM 1330 O LYS A 81 7.322 2.445 -17.480 1.00 4.40 O ATOM 1331 CB LYS A 81 8.093 4.911 -18.961 1.00 43.10 C ATOM 1332 CG LYS A 81 7.465 4.000 -20.050 1.00 51.52 C ATOM 1333 CD LYS A 81 8.290 3.965 -21.360 1.00 41.02 C ATOM 1334 CE LYS A 81 7.683 3.033 -22.425 1.00 22.33 C ATOM 1335 NZ LYS A 81 8.506 2.988 -23.659 1.00 12.45 N ATOM 0 H LYS A 81 7.152 6.704 -16.506 1.00 13.11 H new ATOM 0 HA LYS A 81 6.313 5.031 -17.709 1.00 14.13 H new ATOM 0 HB2 LYS A 81 8.096 5.937 -19.330 1.00 43.10 H new ATOM 0 HB3 LYS A 81 9.134 4.618 -18.825 1.00 43.10 H new ATOM 0 HG2 LYS A 81 7.372 2.987 -19.659 1.00 51.52 H new ATOM 0 HG3 LYS A 81 6.457 4.350 -20.271 1.00 51.52 H new ATOM 0 HD2 LYS A 81 8.361 4.974 -21.766 1.00 41.02 H new ATOM 0 HD3 LYS A 81 9.306 3.639 -21.135 1.00 41.02 H new ATOM 0 HE2 LYS A 81 7.589 2.027 -22.015 1.00 22.33 H new ATOM 0 HE3 LYS A 81 6.677 3.372 -22.672 1.00 22.33 H new ATOM 0 HZ1 LYS A 81 8.062 2.349 -24.349 1.00 12.45 H new ATOM 0 HZ2 LYS A 81 8.575 3.943 -24.065 1.00 12.45 H new ATOM 0 HZ3 LYS A 81 9.459 2.640 -23.428 1.00 12.45 H new ATOM 1349 N ILE A 82 7.763 3.525 -15.524 1.00 51.32 N ATOM 1350 CA ILE A 82 7.888 2.325 -14.660 1.00 74.20 C ATOM 1351 C ILE A 82 9.105 1.450 -15.067 1.00 60.22 C ATOM 1352 O ILE A 82 9.084 0.765 -16.099 1.00 73.32 O ATOM 1353 CB ILE A 82 6.554 1.463 -14.590 1.00 53.22 C ATOM 1354 CG1 ILE A 82 5.351 2.298 -14.038 1.00 72.13 C ATOM 1355 CG2 ILE A 82 6.757 0.184 -13.754 1.00 63.22 C ATOM 1356 CD1 ILE A 82 4.643 3.153 -15.063 1.00 0.13 C ATOM 0 H ILE A 82 7.885 4.398 -15.011 1.00 51.32 H new ATOM 0 HA ILE A 82 8.064 2.699 -13.652 1.00 74.20 H new ATOM 0 HB ILE A 82 6.312 1.168 -15.611 1.00 53.22 H new ATOM 0 HG12 ILE A 82 4.627 1.614 -13.595 1.00 72.13 H new ATOM 0 HG13 ILE A 82 5.713 2.943 -13.237 1.00 72.13 H new ATOM 0 HG21 ILE A 82 5.827 -0.383 -13.725 1.00 63.22 H new ATOM 0 HG22 ILE A 82 7.540 -0.425 -14.205 1.00 63.22 H new ATOM 0 HG23 ILE A 82 7.048 0.455 -12.739 1.00 63.22 H new ATOM 0 HD11 ILE A 82 3.826 3.693 -14.585 1.00 0.13 H new ATOM 0 HD12 ILE A 82 5.347 3.866 -15.491 1.00 0.13 H new ATOM 0 HD13 ILE A 82 4.245 2.518 -15.854 1.00 0.13 H new ATOM 1368 N THR A 83 10.160 1.468 -14.230 1.00 1.03 N ATOM 1369 CA THR A 83 11.459 0.847 -14.561 1.00 35.21 C ATOM 1370 C THR A 83 11.513 -0.674 -14.225 1.00 13.54 C ATOM 1371 O THR A 83 12.220 -1.091 -13.299 1.00 72.22 O ATOM 1372 CB THR A 83 12.649 1.629 -13.881 1.00 21.34 C ATOM 1373 OG1 THR A 83 12.484 1.650 -12.452 1.00 73.24 O ATOM 1374 CG2 THR A 83 12.760 3.085 -14.392 1.00 72.31 C ATOM 0 H THR A 83 10.138 1.910 -13.311 1.00 1.03 H new ATOM 0 HA THR A 83 11.571 0.921 -15.643 1.00 35.21 H new ATOM 0 HB THR A 83 13.564 1.101 -14.147 1.00 21.34 H new ATOM 0 HG1 THR A 83 13.230 2.137 -12.044 1.00 73.24 H new ATOM 0 HG21 THR A 83 13.593 3.582 -13.895 1.00 72.31 H new ATOM 0 HG22 THR A 83 12.930 3.081 -15.469 1.00 72.31 H new ATOM 0 HG23 THR A 83 11.835 3.619 -14.173 1.00 72.31 H new ATOM 1382 N SER A 84 10.730 -1.476 -15.000 1.00 23.21 N ATOM 1383 CA SER A 84 10.707 -2.974 -14.956 1.00 52.34 C ATOM 1384 C SER A 84 10.519 -3.562 -13.525 1.00 70.04 C ATOM 1385 O SER A 84 9.390 -3.831 -13.094 1.00 14.32 O ATOM 1386 CB SER A 84 11.977 -3.550 -15.651 1.00 11.54 C ATOM 1387 OG SER A 84 12.050 -4.963 -15.542 1.00 21.31 O ATOM 0 H SER A 84 10.082 -1.095 -15.689 1.00 23.21 H new ATOM 0 HA SER A 84 9.822 -3.289 -15.508 1.00 52.34 H new ATOM 0 HB2 SER A 84 11.973 -3.268 -16.704 1.00 11.54 H new ATOM 0 HB3 SER A 84 12.867 -3.106 -15.205 1.00 11.54 H new ATOM 0 HG SER A 84 12.653 -5.204 -14.808 1.00 21.31 H new ATOM 1393 N ASP A 85 11.641 -3.706 -12.789 1.00 43.33 N ATOM 1394 CA ASP A 85 11.690 -4.227 -11.403 1.00 61.10 C ATOM 1395 C ASP A 85 11.023 -3.267 -10.389 1.00 11.15 C ATOM 1396 O ASP A 85 10.788 -3.642 -9.238 1.00 13.34 O ATOM 1397 CB ASP A 85 13.160 -4.496 -10.991 1.00 63.14 C ATOM 1398 CG ASP A 85 13.849 -5.571 -11.856 1.00 63.44 C ATOM 1399 OD1 ASP A 85 14.087 -5.319 -13.063 1.00 24.45 O ATOM 1400 OD2 ASP A 85 14.163 -6.663 -11.334 1.00 30.10 O ATOM 0 H ASP A 85 12.562 -3.457 -13.150 1.00 43.33 H new ATOM 0 HA ASP A 85 11.125 -5.159 -11.386 1.00 61.10 H new ATOM 0 HB2 ASP A 85 13.725 -3.567 -11.060 1.00 63.14 H new ATOM 0 HB3 ASP A 85 13.186 -4.808 -9.947 1.00 63.14 H new ATOM 1405 N LEU A 86 10.791 -2.010 -10.806 1.00 24.14 N ATOM 1406 CA LEU A 86 10.165 -0.973 -9.958 1.00 33.31 C ATOM 1407 C LEU A 86 8.765 -1.384 -9.405 1.00 54.32 C ATOM 1408 O LEU A 86 8.389 -0.978 -8.301 1.00 3.35 O ATOM 1409 CB LEU A 86 10.046 0.347 -10.742 1.00 74.45 C ATOM 1410 CG LEU A 86 9.609 1.572 -9.895 1.00 4.32 C ATOM 1411 CD1 LEU A 86 10.713 2.018 -8.910 1.00 64.30 C ATOM 1412 CD2 LEU A 86 9.135 2.738 -10.796 1.00 54.42 C ATOM 0 H LEU A 86 11.032 -1.681 -11.741 1.00 24.14 H new ATOM 0 HA LEU A 86 10.818 -0.846 -9.095 1.00 33.31 H new ATOM 0 HB2 LEU A 86 11.009 0.567 -11.203 1.00 74.45 H new ATOM 0 HB3 LEU A 86 9.329 0.209 -11.551 1.00 74.45 H new ATOM 0 HG LEU A 86 8.758 1.260 -9.290 1.00 4.32 H new ATOM 0 HD11 LEU A 86 10.364 2.878 -8.338 1.00 64.30 H new ATOM 0 HD12 LEU A 86 10.946 1.199 -8.229 1.00 64.30 H new ATOM 0 HD13 LEU A 86 11.609 2.292 -9.467 1.00 64.30 H new ATOM 0 HD21 LEU A 86 8.836 3.581 -10.173 1.00 54.42 H new ATOM 0 HD22 LEU A 86 9.949 3.044 -11.454 1.00 54.42 H new ATOM 0 HD23 LEU A 86 8.286 2.412 -11.397 1.00 54.42 H new ATOM 1424 N ILE A 87 7.998 -2.166 -10.189 1.00 3.53 N ATOM 1425 CA ILE A 87 6.689 -2.732 -9.739 1.00 33.42 C ATOM 1426 C ILE A 87 6.899 -3.650 -8.505 1.00 53.13 C ATOM 1427 O ILE A 87 6.117 -3.646 -7.544 1.00 42.04 O ATOM 1428 CB ILE A 87 6.015 -3.594 -10.874 1.00 30.50 C ATOM 1429 CG1 ILE A 87 5.983 -2.822 -12.220 1.00 60.43 C ATOM 1430 CG2 ILE A 87 4.585 -4.053 -10.481 1.00 42.34 C ATOM 1431 CD1 ILE A 87 5.552 -3.646 -13.428 1.00 1.20 C ATOM 0 H ILE A 87 8.254 -2.427 -11.141 1.00 3.53 H new ATOM 0 HA ILE A 87 6.043 -1.890 -9.489 1.00 33.42 H new ATOM 0 HB ILE A 87 6.628 -4.486 -11.000 1.00 30.50 H new ATOM 0 HG12 ILE A 87 5.306 -1.974 -12.118 1.00 60.43 H new ATOM 0 HG13 ILE A 87 6.976 -2.416 -12.412 1.00 60.43 H new ATOM 0 HG21 ILE A 87 4.157 -4.644 -11.291 1.00 42.34 H new ATOM 0 HG22 ILE A 87 4.633 -4.659 -9.576 1.00 42.34 H new ATOM 0 HG23 ILE A 87 3.959 -3.179 -10.300 1.00 42.34 H new ATOM 0 HD11 ILE A 87 5.562 -3.018 -14.319 1.00 1.20 H new ATOM 0 HD12 ILE A 87 6.241 -4.480 -13.564 1.00 1.20 H new ATOM 0 HD13 ILE A 87 4.545 -4.030 -13.266 1.00 1.20 H new ATOM 1443 N ASP A 88 7.997 -4.422 -8.574 1.00 10.04 N ATOM 1444 CA ASP A 88 8.420 -5.351 -7.512 1.00 45.50 C ATOM 1445 C ASP A 88 8.916 -4.577 -6.280 1.00 1.42 C ATOM 1446 O ASP A 88 8.866 -5.102 -5.169 1.00 30.15 O ATOM 1447 CB ASP A 88 9.519 -6.309 -8.019 1.00 32.05 C ATOM 1448 CG ASP A 88 9.116 -7.047 -9.298 1.00 42.11 C ATOM 1449 OD1 ASP A 88 8.483 -8.118 -9.207 1.00 61.54 O ATOM 1450 OD2 ASP A 88 9.412 -6.547 -10.401 1.00 33.23 O ATOM 0 H ASP A 88 8.623 -4.418 -9.379 1.00 10.04 H new ATOM 0 HA ASP A 88 7.553 -5.946 -7.225 1.00 45.50 H new ATOM 0 HB2 ASP A 88 10.432 -5.743 -8.204 1.00 32.05 H new ATOM 0 HB3 ASP A 88 9.748 -7.037 -7.241 1.00 32.05 H new ATOM 1455 N LYS A 89 9.429 -3.338 -6.492 1.00 34.22 N ATOM 1456 CA LYS A 89 9.806 -2.442 -5.375 1.00 15.12 C ATOM 1457 C LYS A 89 8.549 -2.077 -4.551 1.00 70.11 C ATOM 1458 O LYS A 89 8.567 -2.141 -3.323 1.00 34.22 O ATOM 1459 CB LYS A 89 10.495 -1.152 -5.896 1.00 34.43 C ATOM 1460 CG LYS A 89 11.059 -0.229 -4.781 1.00 73.11 C ATOM 1461 CD LYS A 89 11.837 0.986 -5.342 1.00 14.12 C ATOM 1462 CE LYS A 89 13.085 0.577 -6.142 1.00 30.53 C ATOM 1463 NZ LYS A 89 13.795 1.748 -6.711 1.00 25.10 N ATOM 0 H LYS A 89 9.589 -2.942 -7.418 1.00 34.22 H new ATOM 0 HA LYS A 89 10.517 -2.969 -4.739 1.00 15.12 H new ATOM 0 HB2 LYS A 89 11.309 -1.434 -6.563 1.00 34.43 H new ATOM 0 HB3 LYS A 89 9.777 -0.586 -6.490 1.00 34.43 H new ATOM 0 HG2 LYS A 89 10.237 0.127 -4.161 1.00 73.11 H new ATOM 0 HG3 LYS A 89 11.718 -0.809 -4.135 1.00 73.11 H new ATOM 0 HD2 LYS A 89 11.176 1.571 -5.982 1.00 14.12 H new ATOM 0 HD3 LYS A 89 12.136 1.633 -4.517 1.00 14.12 H new ATOM 0 HE2 LYS A 89 13.764 0.022 -5.494 1.00 30.53 H new ATOM 0 HE3 LYS A 89 12.793 -0.096 -6.948 1.00 30.53 H new ATOM 0 HZ1 LYS A 89 14.629 1.424 -7.241 1.00 25.10 H new ATOM 0 HZ2 LYS A 89 13.157 2.264 -7.350 1.00 25.10 H new ATOM 0 HZ3 LYS A 89 14.098 2.378 -5.941 1.00 25.10 H new ATOM 1477 N VAL A 90 7.454 -1.736 -5.265 1.00 41.04 N ATOM 1478 CA VAL A 90 6.136 -1.425 -4.650 1.00 74.21 C ATOM 1479 C VAL A 90 5.609 -2.636 -3.847 1.00 12.35 C ATOM 1480 O VAL A 90 5.156 -2.500 -2.705 1.00 12.25 O ATOM 1481 CB VAL A 90 5.065 -1.039 -5.741 1.00 41.13 C ATOM 1482 CG1 VAL A 90 3.733 -0.567 -5.099 1.00 22.31 C ATOM 1483 CG2 VAL A 90 5.624 0.009 -6.728 1.00 44.22 C ATOM 0 H VAL A 90 7.454 -1.667 -6.283 1.00 41.04 H new ATOM 0 HA VAL A 90 6.288 -0.575 -3.984 1.00 74.21 H new ATOM 0 HB VAL A 90 4.841 -1.941 -6.311 1.00 41.13 H new ATOM 0 HG11 VAL A 90 3.022 -0.310 -5.884 1.00 22.31 H new ATOM 0 HG12 VAL A 90 3.322 -1.368 -4.484 1.00 22.31 H new ATOM 0 HG13 VAL A 90 3.919 0.309 -4.477 1.00 22.31 H new ATOM 0 HG21 VAL A 90 4.862 0.255 -7.468 1.00 44.22 H new ATOM 0 HG22 VAL A 90 5.904 0.910 -6.182 1.00 44.22 H new ATOM 0 HG23 VAL A 90 6.501 -0.397 -7.232 1.00 44.22 H new ATOM 1493 N LYS A 91 5.710 -3.826 -4.471 1.00 11.51 N ATOM 1494 CA LYS A 91 5.219 -5.089 -3.885 1.00 53.43 C ATOM 1495 C LYS A 91 6.054 -5.502 -2.652 1.00 72.03 C ATOM 1496 O LYS A 91 5.511 -6.035 -1.698 1.00 1.42 O ATOM 1497 CB LYS A 91 5.236 -6.240 -4.935 1.00 13.52 C ATOM 1498 CG LYS A 91 4.138 -7.317 -4.707 1.00 15.43 C ATOM 1499 CD LYS A 91 4.474 -8.684 -5.343 1.00 72.24 C ATOM 1500 CE LYS A 91 5.571 -9.434 -4.571 1.00 25.50 C ATOM 1501 NZ LYS A 91 5.162 -9.721 -3.170 1.00 4.42 N ATOM 0 H LYS A 91 6.133 -3.939 -5.392 1.00 11.51 H new ATOM 0 HA LYS A 91 4.191 -4.914 -3.568 1.00 53.43 H new ATOM 0 HB2 LYS A 91 5.111 -5.813 -5.930 1.00 13.52 H new ATOM 0 HB3 LYS A 91 6.213 -6.722 -4.916 1.00 13.52 H new ATOM 0 HG2 LYS A 91 3.988 -7.451 -3.636 1.00 15.43 H new ATOM 0 HG3 LYS A 91 3.195 -6.956 -5.118 1.00 15.43 H new ATOM 0 HD2 LYS A 91 3.573 -9.297 -5.377 1.00 72.24 H new ATOM 0 HD3 LYS A 91 4.796 -8.533 -6.373 1.00 72.24 H new ATOM 0 HE2 LYS A 91 5.800 -10.369 -5.082 1.00 25.50 H new ATOM 0 HE3 LYS A 91 6.485 -8.840 -4.569 1.00 25.50 H new ATOM 0 HZ1 LYS A 91 5.899 -9.384 -2.517 1.00 4.42 H new ATOM 0 HZ2 LYS A 91 4.267 -9.234 -2.963 1.00 4.42 H new ATOM 0 HZ3 LYS A 91 5.034 -10.746 -3.049 1.00 4.42 H new ATOM 1515 N LYS A 92 7.378 -5.251 -2.713 1.00 1.22 N ATOM 1516 CA LYS A 92 8.336 -5.562 -1.622 1.00 53.31 C ATOM 1517 C LYS A 92 8.128 -4.642 -0.398 1.00 30.13 C ATOM 1518 O LYS A 92 8.286 -5.066 0.756 1.00 62.23 O ATOM 1519 CB LYS A 92 9.785 -5.425 -2.138 1.00 23.31 C ATOM 1520 CG LYS A 92 10.881 -5.716 -1.087 1.00 45.54 C ATOM 1521 CD LYS A 92 10.943 -7.203 -0.677 1.00 52.21 C ATOM 1522 CE LYS A 92 11.972 -7.461 0.440 1.00 62.24 C ATOM 1523 NZ LYS A 92 12.088 -8.902 0.780 1.00 60.11 N ATOM 0 H LYS A 92 7.820 -4.823 -3.526 1.00 1.22 H new ATOM 0 HA LYS A 92 8.154 -6.589 -1.304 1.00 53.31 H new ATOM 0 HB2 LYS A 92 9.921 -6.103 -2.980 1.00 23.31 H new ATOM 0 HB3 LYS A 92 9.926 -4.413 -2.518 1.00 23.31 H new ATOM 0 HG2 LYS A 92 11.849 -5.414 -1.487 1.00 45.54 H new ATOM 0 HG3 LYS A 92 10.698 -5.108 -0.201 1.00 45.54 H new ATOM 0 HD2 LYS A 92 9.958 -7.526 -0.341 1.00 52.21 H new ATOM 0 HD3 LYS A 92 11.197 -7.807 -1.548 1.00 52.21 H new ATOM 0 HE2 LYS A 92 12.946 -7.085 0.127 1.00 62.24 H new ATOM 0 HE3 LYS A 92 11.685 -6.902 1.331 1.00 62.24 H new ATOM 0 HZ1 LYS A 92 12.792 -9.025 1.536 1.00 60.11 H new ATOM 0 HZ2 LYS A 92 11.166 -9.257 1.104 1.00 60.11 H new ATOM 0 HZ3 LYS A 92 12.388 -9.434 -0.062 1.00 60.11 H new ATOM 1537 N LYS A 93 7.808 -3.372 -0.668 1.00 22.14 N ATOM 1538 CA LYS A 93 7.434 -2.399 0.375 1.00 71.41 C ATOM 1539 C LYS A 93 6.124 -2.826 1.072 1.00 13.10 C ATOM 1540 O LYS A 93 6.018 -2.764 2.291 1.00 15.33 O ATOM 1541 CB LYS A 93 7.261 -0.997 -0.241 1.00 60.44 C ATOM 1542 CG LYS A 93 8.558 -0.343 -0.767 1.00 63.44 C ATOM 1543 CD LYS A 93 9.543 0.053 0.357 1.00 13.32 C ATOM 1544 CE LYS A 93 10.775 0.799 -0.185 1.00 20.54 C ATOM 1545 NZ LYS A 93 11.698 1.214 0.901 1.00 63.14 N ATOM 0 H LYS A 93 7.800 -2.986 -1.612 1.00 22.14 H new ATOM 0 HA LYS A 93 8.233 -2.369 1.116 1.00 71.41 H new ATOM 0 HB2 LYS A 93 6.548 -1.065 -1.063 1.00 60.44 H new ATOM 0 HB3 LYS A 93 6.821 -0.340 0.509 1.00 60.44 H new ATOM 0 HG2 LYS A 93 9.054 -1.034 -1.449 1.00 63.44 H new ATOM 0 HG3 LYS A 93 8.301 0.545 -1.344 1.00 63.44 H new ATOM 0 HD2 LYS A 93 9.029 0.683 1.083 1.00 13.32 H new ATOM 0 HD3 LYS A 93 9.867 -0.843 0.886 1.00 13.32 H new ATOM 0 HE2 LYS A 93 11.307 0.157 -0.887 1.00 20.54 H new ATOM 0 HE3 LYS A 93 10.450 1.679 -0.740 1.00 20.54 H new ATOM 0 HZ1 LYS A 93 12.514 1.713 0.492 1.00 63.14 H new ATOM 0 HZ2 LYS A 93 11.199 1.847 1.558 1.00 63.14 H new ATOM 0 HZ3 LYS A 93 12.029 0.373 1.416 1.00 63.14 H new ATOM 1559 N LEU A 94 5.150 -3.269 0.260 1.00 71.02 N ATOM 1560 CA LEU A 94 3.848 -3.790 0.734 1.00 73.14 C ATOM 1561 C LEU A 94 4.033 -5.142 1.497 1.00 5.03 C ATOM 1562 O LEU A 94 3.303 -5.430 2.455 1.00 13.12 O ATOM 1563 CB LEU A 94 2.886 -3.898 -0.497 1.00 23.34 C ATOM 1564 CG LEU A 94 1.380 -4.287 -0.255 1.00 61.30 C ATOM 1565 CD1 LEU A 94 1.175 -5.808 -0.155 1.00 73.45 C ATOM 1566 CD2 LEU A 94 0.790 -3.551 0.968 1.00 11.13 C ATOM 0 H LEU A 94 5.241 -3.277 -0.756 1.00 71.02 H new ATOM 0 HA LEU A 94 3.399 -3.109 1.457 1.00 73.14 H new ATOM 0 HB2 LEU A 94 2.899 -2.937 -1.011 1.00 23.34 H new ATOM 0 HB3 LEU A 94 3.310 -4.632 -1.183 1.00 23.34 H new ATOM 0 HG LEU A 94 0.828 -3.955 -1.134 1.00 61.30 H new ATOM 0 HD11 LEU A 94 0.119 -6.023 0.012 1.00 73.45 H new ATOM 0 HD12 LEU A 94 1.499 -6.281 -1.082 1.00 73.45 H new ATOM 0 HD13 LEU A 94 1.761 -6.200 0.676 1.00 73.45 H new ATOM 0 HD21 LEU A 94 -0.251 -3.845 1.103 1.00 11.13 H new ATOM 0 HD22 LEU A 94 1.359 -3.813 1.860 1.00 11.13 H new ATOM 0 HD23 LEU A 94 0.844 -2.474 0.806 1.00 11.13 H new ATOM 1578 N ASP A 95 5.026 -5.944 1.061 1.00 70.35 N ATOM 1579 CA ASP A 95 5.479 -7.166 1.775 1.00 42.21 C ATOM 1580 C ASP A 95 6.002 -6.807 3.183 1.00 5.14 C ATOM 1581 O ASP A 95 5.706 -7.483 4.170 1.00 10.14 O ATOM 1582 CB ASP A 95 6.615 -7.877 0.981 1.00 21.12 C ATOM 1583 CG ASP A 95 6.156 -8.647 -0.268 1.00 24.53 C ATOM 1584 OD1 ASP A 95 4.988 -9.085 -0.325 1.00 72.11 O ATOM 1585 OD2 ASP A 95 6.975 -8.828 -1.201 1.00 70.13 O ATOM 0 H ASP A 95 5.542 -5.765 0.199 1.00 70.35 H new ATOM 0 HA ASP A 95 4.624 -7.836 1.863 1.00 42.21 H new ATOM 0 HB2 ASP A 95 7.348 -7.129 0.679 1.00 21.12 H new ATOM 0 HB3 ASP A 95 7.125 -8.571 1.649 1.00 21.12 H new ATOM 1590 N MET A 96 6.788 -5.723 3.234 1.00 24.52 N ATOM 1591 CA MET A 96 7.360 -5.176 4.470 1.00 61.43 C ATOM 1592 C MET A 96 6.247 -4.598 5.395 1.00 60.34 C ATOM 1593 O MET A 96 6.348 -4.704 6.611 1.00 12.11 O ATOM 1594 CB MET A 96 8.423 -4.110 4.102 1.00 41.54 C ATOM 1595 CG MET A 96 9.106 -3.440 5.299 1.00 52.12 C ATOM 1596 SD MET A 96 9.953 -4.636 6.359 1.00 21.15 S ATOM 1597 CE MET A 96 10.518 -3.599 7.708 1.00 10.12 C ATOM 0 H MET A 96 7.048 -5.193 2.402 1.00 24.52 H new ATOM 0 HA MET A 96 7.845 -5.972 5.034 1.00 61.43 H new ATOM 0 HB2 MET A 96 9.187 -4.579 3.482 1.00 41.54 H new ATOM 0 HB3 MET A 96 7.948 -3.339 3.495 1.00 41.54 H new ATOM 0 HG2 MET A 96 9.824 -2.703 4.940 1.00 52.12 H new ATOM 0 HG3 MET A 96 8.362 -2.901 5.885 1.00 52.12 H new ATOM 0 HE1 MET A 96 11.056 -4.208 8.434 1.00 10.12 H new ATOM 0 HE2 MET A 96 11.182 -2.826 7.320 1.00 10.12 H new ATOM 0 HE3 MET A 96 9.660 -3.131 8.191 1.00 10.12 H new ATOM 1607 N VAL A 97 5.178 -4.014 4.797 1.00 33.42 N ATOM 1608 CA VAL A 97 3.963 -3.568 5.545 1.00 54.40 C ATOM 1609 C VAL A 97 3.242 -4.786 6.194 1.00 74.00 C ATOM 1610 O VAL A 97 2.767 -4.715 7.333 1.00 35.12 O ATOM 1611 CB VAL A 97 2.955 -2.781 4.608 1.00 74.14 C ATOM 1612 CG1 VAL A 97 1.654 -2.380 5.353 1.00 52.13 C ATOM 1613 CG2 VAL A 97 3.630 -1.536 3.980 1.00 34.33 C ATOM 0 H VAL A 97 5.128 -3.838 3.794 1.00 33.42 H new ATOM 0 HA VAL A 97 4.296 -2.889 6.330 1.00 54.40 H new ATOM 0 HB VAL A 97 2.674 -3.463 3.805 1.00 74.14 H new ATOM 0 HG11 VAL A 97 0.995 -1.843 4.671 1.00 52.13 H new ATOM 0 HG12 VAL A 97 1.150 -3.277 5.714 1.00 52.13 H new ATOM 0 HG13 VAL A 97 1.902 -1.738 6.198 1.00 52.13 H new ATOM 0 HG21 VAL A 97 2.914 -1.017 3.343 1.00 34.33 H new ATOM 0 HG22 VAL A 97 3.964 -0.865 4.771 1.00 34.33 H new ATOM 0 HG23 VAL A 97 4.487 -1.849 3.383 1.00 34.33 H new ATOM 1623 N THR A 98 3.204 -5.908 5.446 1.00 50.41 N ATOM 1624 CA THR A 98 2.640 -7.197 5.926 1.00 63.32 C ATOM 1625 C THR A 98 3.451 -7.739 7.136 1.00 43.30 C ATOM 1626 O THR A 98 2.884 -8.137 8.158 1.00 63.31 O ATOM 1627 CB THR A 98 2.630 -8.269 4.770 1.00 64.21 C ATOM 1628 OG1 THR A 98 1.990 -7.730 3.599 1.00 70.14 O ATOM 1629 CG2 THR A 98 1.912 -9.574 5.169 1.00 14.12 C ATOM 0 H THR A 98 3.562 -5.951 4.492 1.00 50.41 H new ATOM 0 HA THR A 98 1.614 -7.012 6.244 1.00 63.32 H new ATOM 0 HB THR A 98 3.673 -8.509 4.564 1.00 64.21 H new ATOM 0 HG1 THR A 98 2.546 -7.017 3.222 1.00 70.14 H new ATOM 0 HG21 THR A 98 1.937 -10.273 4.333 1.00 14.12 H new ATOM 0 HG22 THR A 98 2.414 -10.017 6.029 1.00 14.12 H new ATOM 0 HG23 THR A 98 0.876 -9.355 5.427 1.00 14.12 H new ATOM 1637 N ARG A 99 4.787 -7.693 7.002 1.00 30.43 N ATOM 1638 CA ARG A 99 5.744 -8.131 8.048 1.00 23.21 C ATOM 1639 C ARG A 99 5.695 -7.223 9.303 1.00 0.14 C ATOM 1640 O ARG A 99 5.817 -7.697 10.441 1.00 70.14 O ATOM 1641 CB ARG A 99 7.186 -8.117 7.475 1.00 22.44 C ATOM 1642 CG ARG A 99 7.449 -9.133 6.344 1.00 14.33 C ATOM 1643 CD ARG A 99 8.864 -8.994 5.749 1.00 54.31 C ATOM 1644 NE ARG A 99 9.910 -9.078 6.787 1.00 52.34 N ATOM 1645 CZ ARG A 99 11.134 -8.599 6.689 1.00 24.12 C ATOM 1646 NH1 ARG A 99 11.562 -8.060 5.592 1.00 44.24 N ATOM 1647 NH2 ARG A 99 11.928 -8.680 7.701 1.00 42.30 N ATOM 0 H ARG A 99 5.244 -7.348 6.158 1.00 30.43 H new ATOM 0 HA ARG A 99 5.458 -9.139 8.347 1.00 23.21 H new ATOM 0 HB2 ARG A 99 7.402 -7.116 7.101 1.00 22.44 H new ATOM 0 HB3 ARG A 99 7.886 -8.312 8.288 1.00 22.44 H new ATOM 0 HG2 ARG A 99 7.317 -10.144 6.729 1.00 14.33 H new ATOM 0 HG3 ARG A 99 6.710 -8.994 5.555 1.00 14.33 H new ATOM 0 HD2 ARG A 99 9.024 -9.777 5.008 1.00 54.31 H new ATOM 0 HD3 ARG A 99 8.946 -8.040 5.228 1.00 54.31 H new ATOM 0 HE ARG A 99 9.664 -9.549 7.658 1.00 52.34 H new ATOM 0 HH11 ARG A 99 10.948 -7.999 4.780 1.00 44.24 H new ATOM 0 HH12 ARG A 99 12.513 -7.696 5.540 1.00 44.24 H new ATOM 0 HH21 ARG A 99 11.607 -9.112 8.568 1.00 42.30 H new ATOM 0 HH22 ARG A 99 12.877 -8.312 7.635 1.00 42.30 H new ATOM 1661 N GLU A 100 5.534 -5.914 9.062 1.00 51.41 N ATOM 1662 CA GLU A 100 5.585 -4.879 10.111 1.00 12.12 C ATOM 1663 C GLU A 100 4.290 -4.916 10.959 1.00 53.33 C ATOM 1664 O GLU A 100 4.343 -4.763 12.180 1.00 14.03 O ATOM 1665 CB GLU A 100 5.840 -3.478 9.461 1.00 42.01 C ATOM 1666 CG GLU A 100 6.707 -2.503 10.298 1.00 32.14 C ATOM 1667 CD GLU A 100 5.991 -1.905 11.519 1.00 43.44 C ATOM 1668 OE1 GLU A 100 5.291 -0.899 11.354 1.00 24.41 O ATOM 1669 OE2 GLU A 100 6.120 -2.433 12.647 1.00 40.11 O ATOM 0 H GLU A 100 5.364 -5.539 8.129 1.00 51.41 H new ATOM 0 HA GLU A 100 6.415 -5.077 10.789 1.00 12.12 H new ATOM 0 HB2 GLU A 100 6.322 -3.627 8.495 1.00 42.01 H new ATOM 0 HB3 GLU A 100 4.877 -3.006 9.267 1.00 42.01 H new ATOM 0 HG2 GLU A 100 7.599 -3.029 10.637 1.00 32.14 H new ATOM 0 HG3 GLU A 100 7.042 -1.690 9.654 1.00 32.14 H new