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 43 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 47 HIS : no HD1:sc= -0.155 X(o=-1.9,f=-1.5) USER MOD Set 1.3: A 69 MET CE :methyl 155:sc= -1.71! (180deg=-0.837) USER MOD Set 2.1: A 12 THR OG1 : rot 76:sc= 0.919 USER MOD Set 2.2: A 56 MET CE :methyl 168:sc=-0.00479 (180deg=-0.046) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= -0.0357 (180deg=-0.226) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 21 ASN : amide:sc= 0.319 X(o=0.32,f=-0.04) USER MOD Single : A 23 ASN : amide:sc= -0.687 X(o=-0.69,f=-0.75) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= -1.26 (180deg=-2.47!) USER MOD Single : A 31 LYS NZ :NH3+ -134:sc= -0.974 (180deg=-3.39!) USER MOD Single : A 32 ASN : amide:sc=-0.00183 K(o=-0.0018,f=-3.3!) USER MOD Single : A 36 MET CE :methyl 153:sc= -2.69! (180deg=-3.56!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.207 F(o=-1.9!,f=-0.21) USER MOD Single : A 41 LYS NZ :NH3+ -118:sc= 0.107 (180deg=-0.71) USER MOD Single : A 48 THR OG1 : rot 70:sc= 0.16 USER MOD Single : A 49 MET CE :methyl -173:sc= -0.385 (180deg=-0.556) USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= 0.349 (180deg=0.212) USER MOD Single : A 53 THR OG1 : rot -78:sc= -3.16! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot -62:sc= 1.21 USER MOD Single : A 70 ASN : amide:sc= -0.41 X(o=-0.41,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 168:sc= -3.68! (180deg=-4.01!) USER MOD Single : A 77 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.019) 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= -2.04! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= -0.7 (180deg=-1.03) USER MOD Single : A 91 LYS NZ :NH3+ -122:sc= -0.0162 (180deg=-0.0636) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= -0.0154 (180deg=-0.142) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -1.62 USER MOD ----------------------------------------------------------------- ATOM 109 N ILE A 8 -10.652 0.628 15.606 1.00 53.02 N ATOM 110 CA ILE A 8 -9.199 0.346 15.505 1.00 4.21 C ATOM 111 C ILE A 8 -8.936 -1.175 15.287 1.00 44.40 C ATOM 112 O ILE A 8 -8.167 -1.551 14.410 1.00 42.11 O ATOM 113 CB ILE A 8 -8.441 0.850 16.800 1.00 64.34 C ATOM 114 CG1 ILE A 8 -8.576 2.405 16.949 1.00 41.41 C ATOM 115 CG2 ILE A 8 -6.951 0.419 16.815 1.00 61.25 C ATOM 116 CD1 ILE A 8 -7.991 2.989 18.237 1.00 2.25 C ATOM 0 HA ILE A 8 -8.815 0.887 14.640 1.00 4.21 H new ATOM 0 HB ILE A 8 -8.917 0.374 17.658 1.00 64.34 H new ATOM 0 HG12 ILE A 8 -8.086 2.879 16.099 1.00 41.41 H new ATOM 0 HG13 ILE A 8 -9.632 2.669 16.896 1.00 41.41 H new ATOM 0 HG21 ILE A 8 -6.474 0.789 17.723 1.00 61.25 H new ATOM 0 HG22 ILE A 8 -6.887 -0.669 16.788 1.00 61.25 H new ATOM 0 HG23 ILE A 8 -6.443 0.834 15.944 1.00 61.25 H new ATOM 0 HD11 ILE A 8 -8.134 4.070 18.245 1.00 2.25 H new ATOM 0 HD12 ILE A 8 -8.496 2.550 19.098 1.00 2.25 H new ATOM 0 HD13 ILE A 8 -6.926 2.764 18.287 1.00 2.25 H new ATOM 128 N LYS A 9 -9.625 -2.021 16.073 1.00 42.24 N ATOM 129 CA LYS A 9 -9.492 -3.500 16.018 1.00 70.10 C ATOM 130 C LYS A 9 -9.966 -4.080 14.657 1.00 65.31 C ATOM 131 O LYS A 9 -9.310 -4.960 14.087 1.00 72.31 O ATOM 132 CB LYS A 9 -10.300 -4.138 17.179 1.00 44.52 C ATOM 133 CG LYS A 9 -9.764 -3.821 18.599 1.00 51.41 C ATOM 134 CD LYS A 9 -10.769 -4.197 19.719 1.00 33.00 C ATOM 135 CE LYS A 9 -11.161 -5.690 19.709 1.00 22.44 C ATOM 136 NZ LYS A 9 -12.264 -5.987 20.656 1.00 42.50 N ATOM 0 H LYS A 9 -10.296 -1.702 16.772 1.00 42.24 H new ATOM 0 HA LYS A 9 -8.435 -3.743 16.123 1.00 70.10 H new ATOM 0 HB2 LYS A 9 -11.334 -3.798 17.112 1.00 44.52 H new ATOM 0 HB3 LYS A 9 -10.311 -5.219 17.044 1.00 44.52 H new ATOM 0 HG2 LYS A 9 -8.830 -4.361 18.759 1.00 51.41 H new ATOM 0 HG3 LYS A 9 -9.533 -2.758 18.666 1.00 51.41 H new ATOM 0 HD2 LYS A 9 -10.334 -3.949 20.687 1.00 33.00 H new ATOM 0 HD3 LYS A 9 -11.668 -3.591 19.609 1.00 33.00 H new ATOM 0 HE2 LYS A 9 -11.462 -5.978 18.702 1.00 22.44 H new ATOM 0 HE3 LYS A 9 -10.291 -6.294 19.967 1.00 22.44 H new ATOM 0 HZ1 LYS A 9 -12.493 -7.001 20.615 1.00 42.50 H new ATOM 0 HZ2 LYS A 9 -11.969 -5.737 21.622 1.00 42.50 H new ATOM 0 HZ3 LYS A 9 -13.104 -5.431 20.396 1.00 42.50 H new ATOM 150 N LYS A 10 -11.105 -3.564 14.146 1.00 21.42 N ATOM 151 CA LYS A 10 -11.654 -3.974 12.826 1.00 74.03 C ATOM 152 C LYS A 10 -10.707 -3.561 11.676 1.00 33.42 C ATOM 153 O LYS A 10 -10.362 -4.383 10.841 1.00 43.40 O ATOM 154 CB LYS A 10 -13.107 -3.399 12.600 1.00 40.34 C ATOM 155 CG LYS A 10 -14.245 -4.444 12.776 1.00 2.13 C ATOM 156 CD LYS A 10 -14.436 -4.930 14.233 1.00 51.32 C ATOM 157 CE LYS A 10 -15.241 -3.946 15.097 1.00 21.21 C ATOM 158 NZ LYS A 10 -15.402 -4.437 16.488 1.00 14.13 N ATOM 0 H LYS A 10 -11.667 -2.861 14.626 1.00 21.42 H new ATOM 0 HA LYS A 10 -11.728 -5.062 12.825 1.00 74.03 H new ATOM 0 HB2 LYS A 10 -13.273 -2.578 13.298 1.00 40.34 H new ATOM 0 HB3 LYS A 10 -13.167 -2.980 11.595 1.00 40.34 H new ATOM 0 HG2 LYS A 10 -15.180 -4.010 12.424 1.00 2.13 H new ATOM 0 HG3 LYS A 10 -14.034 -5.305 12.142 1.00 2.13 H new ATOM 0 HD2 LYS A 10 -14.943 -5.895 14.224 1.00 51.32 H new ATOM 0 HD3 LYS A 10 -13.458 -5.088 14.688 1.00 51.32 H new ATOM 0 HE2 LYS A 10 -14.739 -2.978 15.109 1.00 21.21 H new ATOM 0 HE3 LYS A 10 -16.223 -3.790 14.651 1.00 21.21 H new ATOM 0 HZ1 LYS A 10 -15.950 -3.746 17.039 1.00 14.13 H new ATOM 0 HZ2 LYS A 10 -15.903 -5.348 16.479 1.00 14.13 H new ATOM 0 HZ3 LYS A 10 -14.465 -4.562 16.923 1.00 14.13 H new ATOM 172 N VAL A 11 -10.273 -2.295 11.687 1.00 24.35 N ATOM 173 CA VAL A 11 -9.383 -1.708 10.652 1.00 35.23 C ATOM 174 C VAL A 11 -7.961 -2.350 10.653 1.00 73.43 C ATOM 175 O VAL A 11 -7.326 -2.478 9.596 1.00 62.42 O ATOM 176 CB VAL A 11 -9.323 -0.143 10.835 1.00 12.10 C ATOM 177 CG1 VAL A 11 -8.237 0.518 9.963 1.00 4.42 C ATOM 178 CG2 VAL A 11 -10.712 0.482 10.541 1.00 4.41 C ATOM 0 H VAL A 11 -10.528 -1.633 12.420 1.00 24.35 H new ATOM 0 HA VAL A 11 -9.805 -1.932 9.672 1.00 35.23 H new ATOM 0 HB VAL A 11 -9.050 0.049 11.873 1.00 12.10 H new ATOM 0 HG11 VAL A 11 -8.242 1.595 10.130 1.00 4.42 H new ATOM 0 HG12 VAL A 11 -7.260 0.114 10.230 1.00 4.42 H new ATOM 0 HG13 VAL A 11 -8.440 0.313 8.912 1.00 4.42 H new ATOM 0 HG21 VAL A 11 -10.659 1.563 10.670 1.00 4.41 H new ATOM 0 HG22 VAL A 11 -11.004 0.253 9.516 1.00 4.41 H new ATOM 0 HG23 VAL A 11 -11.450 0.070 11.230 1.00 4.41 H new ATOM 188 N THR A 12 -7.495 -2.772 11.845 1.00 1.30 N ATOM 189 CA THR A 12 -6.251 -3.581 12.010 1.00 44.32 C ATOM 190 C THR A 12 -6.330 -4.881 11.171 1.00 21.20 C ATOM 191 O THR A 12 -5.362 -5.280 10.510 1.00 0.24 O ATOM 192 CB THR A 12 -6.005 -3.931 13.535 1.00 1.33 C ATOM 193 OG1 THR A 12 -5.617 -2.747 14.257 1.00 23.24 O ATOM 194 CG2 THR A 12 -4.940 -5.025 13.761 1.00 73.41 C ATOM 0 H THR A 12 -7.964 -2.566 12.727 1.00 1.30 H new ATOM 0 HA THR A 12 -5.412 -2.984 11.652 1.00 44.32 H new ATOM 0 HB THR A 12 -6.951 -4.325 13.906 1.00 1.33 H new ATOM 0 HG1 THR A 12 -6.404 -2.183 14.408 1.00 23.24 H new ATOM 0 HG21 THR A 12 -4.828 -5.209 14.830 1.00 73.41 H new ATOM 0 HG22 THR A 12 -5.252 -5.944 13.265 1.00 73.41 H new ATOM 0 HG23 THR A 12 -3.987 -4.696 13.348 1.00 73.41 H new ATOM 202 N ASP A 13 -7.509 -5.522 11.210 1.00 61.44 N ATOM 203 CA ASP A 13 -7.791 -6.758 10.461 1.00 71.13 C ATOM 204 C ASP A 13 -8.059 -6.486 8.940 1.00 64.24 C ATOM 205 O ASP A 13 -7.553 -7.207 8.076 1.00 54.11 O ATOM 206 CB ASP A 13 -8.979 -7.483 11.137 1.00 14.01 C ATOM 207 CG ASP A 13 -9.280 -8.850 10.517 1.00 32.11 C ATOM 208 OD1 ASP A 13 -8.483 -9.788 10.723 1.00 63.21 O ATOM 209 OD2 ASP A 13 -10.300 -8.994 9.809 1.00 53.24 O ATOM 0 H ASP A 13 -8.299 -5.195 11.766 1.00 61.44 H new ATOM 0 HA ASP A 13 -6.910 -7.400 10.490 1.00 71.13 H new ATOM 0 HB2 ASP A 13 -8.762 -7.612 12.198 1.00 14.01 H new ATOM 0 HB3 ASP A 13 -9.867 -6.855 11.067 1.00 14.01 H new ATOM 214 N GLU A 14 -8.835 -5.421 8.640 1.00 72.10 N ATOM 215 CA GLU A 14 -9.184 -4.994 7.247 1.00 14.45 C ATOM 216 C GLU A 14 -7.933 -4.600 6.432 1.00 42.13 C ATOM 217 O GLU A 14 -7.948 -4.622 5.197 1.00 73.13 O ATOM 218 CB GLU A 14 -10.189 -3.814 7.288 1.00 52.25 C ATOM 219 CG GLU A 14 -11.568 -4.175 7.872 1.00 65.51 C ATOM 220 CD GLU A 14 -12.508 -2.965 7.976 1.00 23.53 C ATOM 221 OE1 GLU A 14 -13.166 -2.622 6.966 1.00 64.10 O ATOM 222 OE2 GLU A 14 -12.590 -2.347 9.060 1.00 4.51 O ATOM 0 H GLU A 14 -9.245 -4.822 9.357 1.00 72.10 H new ATOM 0 HA GLU A 14 -9.644 -5.846 6.748 1.00 14.45 H new ATOM 0 HB2 GLU A 14 -9.758 -3.005 7.878 1.00 52.25 H new ATOM 0 HB3 GLU A 14 -10.325 -3.432 6.276 1.00 52.25 H new ATOM 0 HG2 GLU A 14 -12.033 -4.938 7.247 1.00 65.51 H new ATOM 0 HG3 GLU A 14 -11.435 -4.611 8.862 1.00 65.51 H new ATOM 229 N LEU A 15 -6.877 -4.204 7.149 1.00 41.35 N ATOM 230 CA LEU A 15 -5.545 -3.932 6.583 1.00 54.31 C ATOM 231 C LEU A 15 -5.019 -5.124 5.719 1.00 54.54 C ATOM 232 O LEU A 15 -4.446 -4.900 4.658 1.00 20.55 O ATOM 233 CB LEU A 15 -4.595 -3.542 7.761 1.00 4.30 C ATOM 234 CG LEU A 15 -3.077 -3.283 7.438 1.00 42.12 C ATOM 235 CD1 LEU A 15 -2.466 -2.228 8.394 1.00 63.53 C ATOM 236 CD2 LEU A 15 -2.259 -4.592 7.511 1.00 20.43 C ATOM 0 H LEU A 15 -6.921 -4.060 8.158 1.00 41.35 H new ATOM 0 HA LEU A 15 -5.593 -3.098 5.883 1.00 54.31 H new ATOM 0 HB2 LEU A 15 -4.995 -2.641 8.227 1.00 4.30 H new ATOM 0 HB3 LEU A 15 -4.646 -4.336 8.506 1.00 4.30 H new ATOM 0 HG LEU A 15 -3.029 -2.896 6.420 1.00 42.12 H new ATOM 0 HD11 LEU A 15 -1.417 -2.074 8.143 1.00 63.53 H new ATOM 0 HD12 LEU A 15 -3.006 -1.287 8.290 1.00 63.53 H new ATOM 0 HD13 LEU A 15 -2.545 -2.580 9.423 1.00 63.53 H new ATOM 0 HD21 LEU A 15 -1.214 -4.381 7.283 1.00 20.43 H new ATOM 0 HD22 LEU A 15 -2.334 -5.012 8.514 1.00 20.43 H new ATOM 0 HD23 LEU A 15 -2.651 -5.307 6.788 1.00 20.43 H new ATOM 248 N LYS A 16 -5.261 -6.384 6.152 1.00 4.03 N ATOM 249 CA LYS A 16 -4.854 -7.590 5.371 1.00 5.50 C ATOM 250 C LYS A 16 -5.725 -7.781 4.103 1.00 41.42 C ATOM 251 O LYS A 16 -5.215 -8.223 3.065 1.00 33.34 O ATOM 252 CB LYS A 16 -4.877 -8.880 6.244 1.00 53.01 C ATOM 253 CG LYS A 16 -3.653 -9.062 7.185 1.00 62.54 C ATOM 254 CD LYS A 16 -3.638 -8.101 8.396 1.00 10.52 C ATOM 255 CE LYS A 16 -4.747 -8.429 9.409 1.00 2.54 C ATOM 256 NZ LYS A 16 -4.619 -9.797 9.977 1.00 74.41 N ATOM 0 H LYS A 16 -5.732 -6.597 7.031 1.00 4.03 H new ATOM 0 HA LYS A 16 -3.827 -7.416 5.050 1.00 5.50 H new ATOM 0 HB2 LYS A 16 -5.783 -8.874 6.850 1.00 53.01 H new ATOM 0 HB3 LYS A 16 -4.940 -9.745 5.584 1.00 53.01 H new ATOM 0 HG2 LYS A 16 -3.639 -10.089 7.550 1.00 62.54 H new ATOM 0 HG3 LYS A 16 -2.740 -8.916 6.608 1.00 62.54 H new ATOM 0 HD2 LYS A 16 -2.668 -8.157 8.890 1.00 10.52 H new ATOM 0 HD3 LYS A 16 -3.759 -7.076 8.046 1.00 10.52 H new ATOM 0 HE2 LYS A 16 -4.721 -7.700 10.219 1.00 2.54 H new ATOM 0 HE3 LYS A 16 -5.718 -8.331 8.923 1.00 2.54 H new ATOM 0 HZ1 LYS A 16 -5.258 -9.896 10.792 1.00 74.41 H new ATOM 0 HZ2 LYS A 16 -4.872 -10.499 9.252 1.00 74.41 H new ATOM 0 HZ3 LYS A 16 -3.638 -9.955 10.285 1.00 74.41 H new ATOM 270 N GLU A 17 -7.036 -7.460 4.197 1.00 32.33 N ATOM 271 CA GLU A 17 -7.943 -7.406 3.013 1.00 11.03 C ATOM 272 C GLU A 17 -7.418 -6.421 1.963 1.00 14.42 C ATOM 273 O GLU A 17 -7.426 -6.695 0.762 1.00 13.10 O ATOM 274 CB GLU A 17 -9.377 -6.988 3.435 1.00 5.25 C ATOM 275 CG GLU A 17 -10.108 -7.998 4.342 1.00 4.34 C ATOM 276 CD GLU A 17 -10.333 -9.375 3.687 1.00 3.22 C ATOM 277 OE1 GLU A 17 -10.968 -9.433 2.608 1.00 42.21 O ATOM 278 OE2 GLU A 17 -9.902 -10.407 4.248 1.00 60.34 O ATOM 0 H GLU A 17 -7.496 -7.233 5.079 1.00 32.33 H new ATOM 0 HA GLU A 17 -7.973 -8.406 2.579 1.00 11.03 H new ATOM 0 HB2 GLU A 17 -9.323 -6.030 3.953 1.00 5.25 H new ATOM 0 HB3 GLU A 17 -9.973 -6.831 2.536 1.00 5.25 H new ATOM 0 HG2 GLU A 17 -9.533 -8.132 5.258 1.00 4.34 H new ATOM 0 HG3 GLU A 17 -11.073 -7.581 4.630 1.00 4.34 H new ATOM 285 N LEU A 18 -6.920 -5.301 2.459 1.00 14.41 N ATOM 286 CA LEU A 18 -6.439 -4.192 1.641 1.00 14.03 C ATOM 287 C LEU A 18 -5.152 -4.583 0.875 1.00 1.41 C ATOM 288 O LEU A 18 -5.054 -4.377 -0.337 1.00 3.11 O ATOM 289 CB LEU A 18 -6.222 -2.966 2.567 1.00 60.45 C ATOM 290 CG LEU A 18 -6.301 -1.575 1.888 1.00 53.45 C ATOM 291 CD1 LEU A 18 -7.562 -1.483 1.015 1.00 13.15 C ATOM 292 CD2 LEU A 18 -6.272 -0.449 2.945 1.00 21.44 C ATOM 0 H LEU A 18 -6.836 -5.130 3.461 1.00 14.41 H new ATOM 0 HA LEU A 18 -7.176 -3.937 0.880 1.00 14.03 H new ATOM 0 HB2 LEU A 18 -6.966 -3.002 3.363 1.00 60.45 H new ATOM 0 HB3 LEU A 18 -5.244 -3.062 3.039 1.00 60.45 H new ATOM 0 HG LEU A 18 -5.430 -1.449 1.245 1.00 53.45 H new ATOM 0 HD11 LEU A 18 -7.607 -0.502 0.543 1.00 13.15 H new ATOM 0 HD12 LEU A 18 -7.529 -2.254 0.246 1.00 13.15 H new ATOM 0 HD13 LEU A 18 -8.446 -1.628 1.636 1.00 13.15 H new ATOM 0 HD21 LEU A 18 -6.328 0.519 2.447 1.00 21.44 H new ATOM 0 HD22 LEU A 18 -7.121 -0.561 3.619 1.00 21.44 H new ATOM 0 HD23 LEU A 18 -5.346 -0.510 3.516 1.00 21.44 H new ATOM 304 N ILE A 19 -4.199 -5.177 1.611 1.00 45.43 N ATOM 305 CA ILE A 19 -2.950 -5.757 1.051 1.00 4.43 C ATOM 306 C ILE A 19 -3.248 -6.812 -0.042 1.00 74.02 C ATOM 307 O ILE A 19 -2.606 -6.820 -1.092 1.00 12.45 O ATOM 308 CB ILE A 19 -2.103 -6.412 2.210 1.00 44.32 C ATOM 309 CG1 ILE A 19 -1.641 -5.333 3.236 1.00 25.11 C ATOM 310 CG2 ILE A 19 -0.890 -7.221 1.690 1.00 12.04 C ATOM 311 CD1 ILE A 19 -0.979 -5.893 4.480 1.00 0.31 C ATOM 0 H ILE A 19 -4.267 -5.273 2.624 1.00 45.43 H new ATOM 0 HA ILE A 19 -2.383 -4.949 0.588 1.00 4.43 H new ATOM 0 HB ILE A 19 -2.762 -7.121 2.710 1.00 44.32 H new ATOM 0 HG12 ILE A 19 -0.945 -4.655 2.743 1.00 25.11 H new ATOM 0 HG13 ILE A 19 -2.505 -4.740 3.535 1.00 25.11 H new ATOM 0 HG21 ILE A 19 -0.348 -7.647 2.534 1.00 12.04 H new ATOM 0 HG22 ILE A 19 -1.239 -8.024 1.041 1.00 12.04 H new ATOM 0 HG23 ILE A 19 -0.228 -6.563 1.128 1.00 12.04 H new ATOM 0 HD11 ILE A 19 -0.690 -5.074 5.138 1.00 0.31 H new ATOM 0 HD12 ILE A 19 -1.678 -6.547 5.001 1.00 0.31 H new ATOM 0 HD13 ILE A 19 -0.093 -6.461 4.196 1.00 0.31 H new ATOM 323 N GLN A 20 -4.249 -7.671 0.225 1.00 12.11 N ATOM 324 CA GLN A 20 -4.677 -8.761 -0.688 1.00 3.12 C ATOM 325 C GLN A 20 -5.075 -8.226 -2.087 1.00 13.31 C ATOM 326 O GLN A 20 -4.613 -8.751 -3.112 1.00 5.30 O ATOM 327 CB GLN A 20 -5.861 -9.527 -0.054 1.00 42.31 C ATOM 328 CG GLN A 20 -6.450 -10.670 -0.912 1.00 62.24 C ATOM 329 CD GLN A 20 -7.578 -11.420 -0.205 1.00 13.32 C ATOM 330 OE1 GLN A 20 -7.582 -11.557 1.013 1.00 53.32 O ATOM 331 NE2 GLN A 20 -8.544 -11.900 -0.954 1.00 72.45 N ATOM 0 H GLN A 20 -4.792 -7.632 1.087 1.00 12.11 H new ATOM 0 HA GLN A 20 -3.831 -9.434 -0.829 1.00 3.12 H new ATOM 0 HB2 GLN A 20 -5.533 -9.943 0.899 1.00 42.31 H new ATOM 0 HB3 GLN A 20 -6.656 -8.814 0.166 1.00 42.31 H new ATOM 0 HG2 GLN A 20 -6.825 -10.259 -1.849 1.00 62.24 H new ATOM 0 HG3 GLN A 20 -5.657 -11.373 -1.167 1.00 62.24 H new ATOM 0 HE21 GLN A 20 -8.517 -11.772 -1.966 1.00 72.45 H new ATOM 0 HE22 GLN A 20 -9.322 -12.401 -0.524 1.00 72.45 H new ATOM 340 N ASN A 21 -5.920 -7.165 -2.111 1.00 62.43 N ATOM 341 CA ASN A 21 -6.328 -6.504 -3.374 1.00 21.41 C ATOM 342 C ASN A 21 -5.115 -5.887 -4.108 1.00 1.55 C ATOM 343 O ASN A 21 -4.955 -6.091 -5.309 1.00 12.01 O ATOM 344 CB ASN A 21 -7.410 -5.423 -3.137 1.00 63.55 C ATOM 345 CG ASN A 21 -8.743 -6.017 -2.679 1.00 74.21 C ATOM 346 OD1 ASN A 21 -9.560 -6.433 -3.494 1.00 71.13 O ATOM 347 ND2 ASN A 21 -8.991 -6.046 -1.387 1.00 74.24 N ATOM 0 H ASN A 21 -6.330 -6.751 -1.274 1.00 62.43 H new ATOM 0 HA ASN A 21 -6.758 -7.281 -4.006 1.00 21.41 H new ATOM 0 HB2 ASN A 21 -7.054 -4.716 -2.387 1.00 63.55 H new ATOM 0 HB3 ASN A 21 -7.564 -4.860 -4.058 1.00 63.55 H new ATOM 0 HD21 ASN A 21 -9.877 -6.420 -1.046 1.00 74.24 H new ATOM 0 HD22 ASN A 21 -8.297 -5.695 -0.727 1.00 74.24 H new ATOM 354 N VAL A 22 -4.245 -5.171 -3.354 1.00 71.05 N ATOM 355 CA VAL A 22 -3.033 -4.521 -3.915 1.00 43.45 C ATOM 356 C VAL A 22 -2.062 -5.552 -4.546 1.00 52.15 C ATOM 357 O VAL A 22 -1.480 -5.268 -5.575 1.00 10.31 O ATOM 358 CB VAL A 22 -2.271 -3.659 -2.840 1.00 20.00 C ATOM 359 CG1 VAL A 22 -1.000 -2.986 -3.422 1.00 61.55 C ATOM 360 CG2 VAL A 22 -3.195 -2.590 -2.240 1.00 32.20 C ATOM 0 H VAL A 22 -4.361 -5.028 -2.351 1.00 71.05 H new ATOM 0 HA VAL A 22 -3.387 -3.853 -4.701 1.00 43.45 H new ATOM 0 HB VAL A 22 -1.957 -4.346 -2.054 1.00 20.00 H new ATOM 0 HG11 VAL A 22 -0.508 -2.403 -2.644 1.00 61.55 H new ATOM 0 HG12 VAL A 22 -0.317 -3.753 -3.787 1.00 61.55 H new ATOM 0 HG13 VAL A 22 -1.281 -2.329 -4.245 1.00 61.55 H new ATOM 0 HG21 VAL A 22 -2.646 -2.008 -1.500 1.00 32.20 H new ATOM 0 HG22 VAL A 22 -3.549 -1.929 -3.031 1.00 32.20 H new ATOM 0 HG23 VAL A 22 -4.047 -3.073 -1.762 1.00 32.20 H new ATOM 370 N ASN A 23 -1.912 -6.750 -3.932 1.00 31.32 N ATOM 371 CA ASN A 23 -1.090 -7.854 -4.509 1.00 54.20 C ATOM 372 C ASN A 23 -1.589 -8.248 -5.918 1.00 12.10 C ATOM 373 O ASN A 23 -0.790 -8.403 -6.848 1.00 2.14 O ATOM 374 CB ASN A 23 -1.078 -9.122 -3.593 1.00 42.50 C ATOM 375 CG ASN A 23 -0.052 -9.049 -2.462 1.00 14.04 C ATOM 376 OD1 ASN A 23 1.123 -9.315 -2.667 1.00 35.31 O ATOM 377 ND2 ASN A 23 -0.479 -8.731 -1.257 1.00 35.31 N ATOM 0 H ASN A 23 -2.346 -6.982 -3.039 1.00 31.32 H new ATOM 0 HA ASN A 23 -0.072 -7.471 -4.580 1.00 54.20 H new ATOM 0 HB2 ASN A 23 -2.070 -9.260 -3.164 1.00 42.50 H new ATOM 0 HB3 ASN A 23 -0.871 -10.000 -4.205 1.00 42.50 H new ATOM 0 HD21 ASN A 23 0.175 -8.704 -0.475 1.00 35.31 H new ATOM 0 HD22 ASN A 23 -1.464 -8.512 -1.106 1.00 35.31 H new ATOM 384 N ASP A 24 -2.918 -8.371 -6.056 1.00 53.24 N ATOM 385 CA ASP A 24 -3.564 -8.815 -7.303 1.00 64.23 C ATOM 386 C ASP A 24 -3.537 -7.708 -8.397 1.00 42.13 C ATOM 387 O ASP A 24 -3.290 -8.009 -9.573 1.00 51.41 O ATOM 388 CB ASP A 24 -5.007 -9.278 -6.995 1.00 73.33 C ATOM 389 CG ASP A 24 -5.712 -9.888 -8.215 1.00 14.11 C ATOM 390 OD1 ASP A 24 -5.274 -10.961 -8.686 1.00 33.43 O ATOM 391 OD2 ASP A 24 -6.693 -9.300 -8.709 1.00 61.33 O ATOM 0 H ASP A 24 -3.577 -8.165 -5.305 1.00 53.24 H new ATOM 0 HA ASP A 24 -3.001 -9.656 -7.708 1.00 64.23 H new ATOM 0 HB2 ASP A 24 -4.983 -10.013 -6.190 1.00 73.33 H new ATOM 0 HB3 ASP A 24 -5.587 -8.428 -6.634 1.00 73.33 H new ATOM 396 N ASP A 25 -3.776 -6.439 -7.995 1.00 32.12 N ATOM 397 CA ASP A 25 -3.666 -5.269 -8.905 1.00 3.24 C ATOM 398 C ASP A 25 -2.206 -5.078 -9.392 1.00 34.14 C ATOM 399 O ASP A 25 -1.972 -4.859 -10.582 1.00 61.44 O ATOM 400 CB ASP A 25 -4.180 -3.978 -8.205 1.00 64.54 C ATOM 401 CG ASP A 25 -5.711 -3.949 -8.031 1.00 5.55 C ATOM 402 OD1 ASP A 25 -6.435 -3.879 -9.055 1.00 0.53 O ATOM 403 OD2 ASP A 25 -6.205 -3.979 -6.881 1.00 1.24 O ATOM 0 H ASP A 25 -4.048 -6.195 -7.043 1.00 32.12 H new ATOM 0 HA ASP A 25 -4.292 -5.462 -9.776 1.00 3.24 H new ATOM 0 HB2 ASP A 25 -3.708 -3.891 -7.226 1.00 64.54 H new ATOM 0 HB3 ASP A 25 -3.871 -3.110 -8.787 1.00 64.54 H new ATOM 408 N ILE A 26 -1.238 -5.197 -8.453 1.00 40.24 N ATOM 409 CA ILE A 26 0.218 -5.233 -8.766 1.00 65.50 C ATOM 410 C ILE A 26 0.537 -6.346 -9.781 1.00 72.42 C ATOM 411 O ILE A 26 1.308 -6.133 -10.702 1.00 72.25 O ATOM 412 CB ILE A 26 1.108 -5.437 -7.461 1.00 2.52 C ATOM 413 CG1 ILE A 26 1.250 -4.104 -6.655 1.00 23.52 C ATOM 414 CG2 ILE A 26 2.500 -6.047 -7.775 1.00 31.20 C ATOM 415 CD1 ILE A 26 2.021 -4.211 -5.343 1.00 71.14 C ATOM 0 H ILE A 26 -1.440 -5.271 -7.456 1.00 40.24 H new ATOM 0 HA ILE A 26 0.466 -4.264 -9.200 1.00 65.50 H new ATOM 0 HB ILE A 26 0.580 -6.159 -6.838 1.00 2.52 H new ATOM 0 HG12 ILE A 26 1.745 -3.367 -7.288 1.00 23.52 H new ATOM 0 HG13 ILE A 26 0.252 -3.721 -6.440 1.00 23.52 H new ATOM 0 HG21 ILE A 26 3.063 -6.164 -6.849 1.00 31.20 H new ATOM 0 HG22 ILE A 26 2.372 -7.021 -8.247 1.00 31.20 H new ATOM 0 HG23 ILE A 26 3.044 -5.385 -8.449 1.00 31.20 H new ATOM 0 HD11 ILE A 26 2.061 -3.233 -4.864 1.00 71.14 H new ATOM 0 HD12 ILE A 26 1.519 -4.918 -4.683 1.00 71.14 H new ATOM 0 HD13 ILE A 26 3.034 -4.559 -5.544 1.00 71.14 H new ATOM 427 N LYS A 27 -0.082 -7.517 -9.592 1.00 50.23 N ATOM 428 CA LYS A 27 0.181 -8.703 -10.406 1.00 71.02 C ATOM 429 C LYS A 27 -0.224 -8.479 -11.878 1.00 64.43 C ATOM 430 O LYS A 27 0.457 -8.941 -12.807 1.00 32.11 O ATOM 431 CB LYS A 27 -0.568 -9.904 -9.798 1.00 41.04 C ATOM 432 CG LYS A 27 -0.043 -11.252 -10.284 1.00 75.32 C ATOM 433 CD LYS A 27 -0.895 -12.464 -9.818 1.00 0.14 C ATOM 434 CE LYS A 27 -2.218 -12.652 -10.605 1.00 71.34 C ATOM 435 NZ LYS A 27 -3.159 -11.498 -10.494 1.00 64.13 N ATOM 0 H LYS A 27 -0.782 -7.666 -8.866 1.00 50.23 H new ATOM 0 HA LYS A 27 1.252 -8.907 -10.403 1.00 71.02 H new ATOM 0 HB2 LYS A 27 -0.488 -9.861 -8.712 1.00 41.04 H new ATOM 0 HB3 LYS A 27 -1.627 -9.825 -10.043 1.00 41.04 H new ATOM 0 HG2 LYS A 27 -0.005 -11.245 -11.373 1.00 75.32 H new ATOM 0 HG3 LYS A 27 0.980 -11.382 -9.930 1.00 75.32 H new ATOM 0 HD2 LYS A 27 -0.298 -13.371 -9.912 1.00 0.14 H new ATOM 0 HD3 LYS A 27 -1.129 -12.344 -8.760 1.00 0.14 H new ATOM 0 HE2 LYS A 27 -1.983 -12.816 -11.657 1.00 71.34 H new ATOM 0 HE3 LYS A 27 -2.718 -13.551 -10.246 1.00 71.34 H new ATOM 0 HZ1 LYS A 27 -4.138 -11.840 -10.573 1.00 64.13 H new ATOM 0 HZ2 LYS A 27 -3.028 -11.031 -9.574 1.00 64.13 H new ATOM 0 HZ3 LYS A 27 -2.967 -10.819 -11.258 1.00 64.13 H new ATOM 449 N GLU A 28 -1.323 -7.730 -12.067 1.00 14.04 N ATOM 450 CA GLU A 28 -1.773 -7.294 -13.399 1.00 14.45 C ATOM 451 C GLU A 28 -0.789 -6.279 -14.027 1.00 44.33 C ATOM 452 O GLU A 28 -0.693 -6.185 -15.253 1.00 52.32 O ATOM 453 CB GLU A 28 -3.194 -6.685 -13.318 1.00 52.23 C ATOM 454 CG GLU A 28 -4.273 -7.620 -12.723 1.00 31.24 C ATOM 455 CD GLU A 28 -4.351 -8.986 -13.427 1.00 42.40 C ATOM 456 OE1 GLU A 28 -4.787 -9.040 -14.600 1.00 70.44 O ATOM 457 OE2 GLU A 28 -3.956 -10.009 -12.822 1.00 42.50 O ATOM 0 H GLU A 28 -1.922 -7.411 -11.305 1.00 14.04 H new ATOM 0 HA GLU A 28 -1.801 -8.173 -14.042 1.00 14.45 H new ATOM 0 HB2 GLU A 28 -3.150 -5.777 -12.717 1.00 52.23 H new ATOM 0 HB3 GLU A 28 -3.504 -6.389 -14.320 1.00 52.23 H new ATOM 0 HG2 GLU A 28 -4.065 -7.776 -11.665 1.00 31.24 H new ATOM 0 HG3 GLU A 28 -5.244 -7.130 -12.788 1.00 31.24 H new ATOM 464 N VAL A 29 -0.075 -5.516 -13.173 1.00 15.11 N ATOM 465 CA VAL A 29 0.977 -4.583 -13.624 1.00 63.34 C ATOM 466 C VAL A 29 2.299 -5.333 -13.958 1.00 13.42 C ATOM 467 O VAL A 29 3.039 -4.940 -14.862 1.00 51.11 O ATOM 468 CB VAL A 29 1.304 -3.461 -12.573 1.00 24.31 C ATOM 469 CG1 VAL A 29 2.174 -2.386 -13.222 1.00 61.14 C ATOM 470 CG2 VAL A 29 0.046 -2.821 -11.953 1.00 22.24 C ATOM 0 H VAL A 29 -0.210 -5.529 -12.162 1.00 15.11 H new ATOM 0 HA VAL A 29 0.570 -4.112 -14.519 1.00 63.34 H new ATOM 0 HB VAL A 29 1.842 -3.940 -11.755 1.00 24.31 H new ATOM 0 HG11 VAL A 29 2.399 -1.610 -12.491 1.00 61.14 H new ATOM 0 HG12 VAL A 29 3.104 -2.834 -13.574 1.00 61.14 H new ATOM 0 HG13 VAL A 29 1.641 -1.947 -14.065 1.00 61.14 H new ATOM 0 HG21 VAL A 29 0.343 -2.055 -11.237 1.00 22.24 H new ATOM 0 HG22 VAL A 29 -0.557 -2.368 -12.740 1.00 22.24 H new ATOM 0 HG23 VAL A 29 -0.539 -3.587 -11.444 1.00 22.24 H new ATOM 480 N GLU A 30 2.591 -6.417 -13.208 1.00 52.34 N ATOM 481 CA GLU A 30 3.792 -7.267 -13.436 1.00 31.42 C ATOM 482 C GLU A 30 3.746 -7.912 -14.848 1.00 22.32 C ATOM 483 O GLU A 30 4.782 -8.278 -15.411 1.00 54.41 O ATOM 484 CB GLU A 30 3.931 -8.330 -12.300 1.00 30.24 C ATOM 485 CG GLU A 30 4.153 -7.708 -10.900 1.00 33.14 C ATOM 486 CD GLU A 30 4.272 -8.729 -9.742 1.00 14.11 C ATOM 487 OE1 GLU A 30 3.269 -9.408 -9.421 1.00 14.21 O ATOM 488 OE2 GLU A 30 5.351 -8.831 -9.114 1.00 44.53 O ATOM 0 H GLU A 30 2.009 -6.731 -12.431 1.00 52.34 H new ATOM 0 HA GLU A 30 4.683 -6.641 -13.402 1.00 31.42 H new ATOM 0 HB2 GLU A 30 3.032 -8.946 -12.277 1.00 30.24 H new ATOM 0 HB3 GLU A 30 4.765 -8.992 -12.532 1.00 30.24 H new ATOM 0 HG2 GLU A 30 5.060 -7.104 -10.927 1.00 33.14 H new ATOM 0 HG3 GLU A 30 3.326 -7.031 -10.684 1.00 33.14 H new ATOM 495 N LYS A 31 2.527 -8.022 -15.406 1.00 64.30 N ATOM 496 CA LYS A 31 2.310 -8.298 -16.842 1.00 24.34 C ATOM 497 C LYS A 31 2.339 -6.998 -17.675 1.00 54.50 C ATOM 498 O LYS A 31 3.099 -6.876 -18.643 1.00 13.43 O ATOM 499 CB LYS A 31 0.938 -8.987 -17.038 1.00 13.44 C ATOM 500 CG LYS A 31 0.918 -10.469 -16.676 1.00 62.50 C ATOM 501 CD LYS A 31 -0.478 -11.141 -16.838 1.00 63.43 C ATOM 502 CE LYS A 31 -1.010 -11.189 -18.294 1.00 33.34 C ATOM 503 NZ LYS A 31 -1.439 -9.861 -18.813 1.00 61.32 N ATOM 0 H LYS A 31 1.662 -7.922 -14.875 1.00 64.30 H new ATOM 0 HA LYS A 31 3.115 -8.949 -17.183 1.00 24.34 H new ATOM 0 HB2 LYS A 31 0.195 -8.468 -16.433 1.00 13.44 H new ATOM 0 HB3 LYS A 31 0.635 -8.876 -18.079 1.00 13.44 H new ATOM 0 HG2 LYS A 31 1.638 -10.995 -17.302 1.00 62.50 H new ATOM 0 HG3 LYS A 31 1.248 -10.585 -15.644 1.00 62.50 H new ATOM 0 HD2 LYS A 31 -0.423 -12.159 -16.452 1.00 63.43 H new ATOM 0 HD3 LYS A 31 -1.198 -10.605 -16.220 1.00 63.43 H new ATOM 0 HE2 LYS A 31 -0.232 -11.590 -18.944 1.00 33.34 H new ATOM 0 HE3 LYS A 31 -1.853 -11.879 -18.342 1.00 33.34 H new ATOM 0 HZ1 LYS A 31 -2.361 -9.954 -19.286 1.00 61.32 H new ATOM 0 HZ2 LYS A 31 -1.521 -9.190 -18.023 1.00 61.32 H new ATOM 0 HZ3 LYS A 31 -0.735 -9.510 -19.493 1.00 61.32 H new ATOM 517 N ASN A 32 1.491 -6.027 -17.280 1.00 14.23 N ATOM 518 CA ASN A 32 1.247 -4.783 -18.047 1.00 30.43 C ATOM 519 C ASN A 32 1.700 -3.527 -17.236 1.00 55.14 C ATOM 520 O ASN A 32 0.903 -2.969 -16.469 1.00 35.24 O ATOM 521 CB ASN A 32 -0.258 -4.656 -18.417 1.00 33.22 C ATOM 522 CG ASN A 32 -0.791 -5.713 -19.385 1.00 34.01 C ATOM 523 OD1 ASN A 32 -0.350 -6.856 -19.413 1.00 25.41 O ATOM 524 ND2 ASN A 32 -1.757 -5.329 -20.199 1.00 63.11 N ATOM 0 H ASN A 32 0.952 -6.082 -16.416 1.00 14.23 H new ATOM 0 HA ASN A 32 1.835 -4.836 -18.963 1.00 30.43 H new ATOM 0 HB2 ASN A 32 -0.844 -4.701 -17.499 1.00 33.22 H new ATOM 0 HB3 ASN A 32 -0.425 -3.672 -18.854 1.00 33.22 H new ATOM 0 HD21 ASN A 32 -2.152 -5.989 -20.869 1.00 63.11 H new ATOM 0 HD22 ASN A 32 -2.108 -4.372 -20.158 1.00 63.11 H new ATOM 531 N PRO A 33 2.979 -3.055 -17.404 1.00 24.43 N ATOM 532 CA PRO A 33 3.602 -2.050 -16.489 1.00 52.12 C ATOM 533 C PRO A 33 2.951 -0.637 -16.542 1.00 21.40 C ATOM 534 O PRO A 33 2.748 0.006 -15.506 1.00 0.32 O ATOM 535 CB PRO A 33 5.085 -2.021 -16.959 1.00 74.13 C ATOM 536 CG PRO A 33 5.029 -2.425 -18.404 1.00 42.40 C ATOM 537 CD PRO A 33 3.913 -3.449 -18.497 1.00 13.20 C ATOM 0 HA PRO A 33 3.472 -2.330 -15.444 1.00 52.12 H new ATOM 0 HB2 PRO A 33 5.520 -1.028 -16.841 1.00 74.13 H new ATOM 0 HB3 PRO A 33 5.699 -2.709 -16.378 1.00 74.13 H new ATOM 0 HG2 PRO A 33 4.827 -1.566 -19.044 1.00 42.40 H new ATOM 0 HG3 PRO A 33 5.979 -2.849 -18.730 1.00 42.40 H new ATOM 0 HD2 PRO A 33 3.424 -3.421 -19.471 1.00 13.20 H new ATOM 0 HD3 PRO A 33 4.288 -4.463 -18.357 1.00 13.20 H new ATOM 545 N GLU A 34 2.602 -0.184 -17.748 1.00 0.11 N ATOM 546 CA GLU A 34 2.146 1.208 -17.994 1.00 62.20 C ATOM 547 C GLU A 34 0.605 1.354 -17.934 1.00 2.33 C ATOM 548 O GLU A 34 0.059 2.397 -18.326 1.00 52.55 O ATOM 549 CB GLU A 34 2.723 1.679 -19.357 1.00 4.00 C ATOM 550 CG GLU A 34 4.266 1.594 -19.427 1.00 43.23 C ATOM 551 CD GLU A 34 4.850 2.000 -20.789 1.00 41.42 C ATOM 552 OE1 GLU A 34 4.908 1.147 -21.697 1.00 52.22 O ATOM 553 OE2 GLU A 34 5.259 3.170 -20.955 1.00 14.24 O ATOM 0 H GLU A 34 2.623 -0.762 -18.588 1.00 0.11 H new ATOM 0 HA GLU A 34 2.521 1.848 -17.196 1.00 62.20 H new ATOM 0 HB2 GLU A 34 2.295 1.072 -20.155 1.00 4.00 H new ATOM 0 HB3 GLU A 34 2.414 2.708 -19.539 1.00 4.00 H new ATOM 0 HG2 GLU A 34 4.691 2.235 -18.655 1.00 43.23 H new ATOM 0 HG3 GLU A 34 4.575 0.574 -19.200 1.00 43.23 H new ATOM 560 N ASP A 35 -0.094 0.313 -17.426 1.00 54.11 N ATOM 561 CA ASP A 35 -1.536 0.391 -17.114 1.00 15.11 C ATOM 562 C ASP A 35 -1.760 1.270 -15.861 1.00 20.23 C ATOM 563 O ASP A 35 -1.736 0.788 -14.715 1.00 63.41 O ATOM 564 CB ASP A 35 -2.153 -1.030 -16.938 1.00 54.54 C ATOM 565 CG ASP A 35 -2.394 -1.768 -18.270 1.00 24.10 C ATOM 566 OD1 ASP A 35 -1.532 -1.693 -19.169 1.00 64.20 O ATOM 567 OD2 ASP A 35 -3.445 -2.433 -18.423 1.00 22.43 O ATOM 0 H ASP A 35 0.323 -0.596 -17.223 1.00 54.11 H new ATOM 0 HA ASP A 35 -2.050 0.858 -17.954 1.00 15.11 H new ATOM 0 HB2 ASP A 35 -1.490 -1.630 -16.315 1.00 54.54 H new ATOM 0 HB3 ASP A 35 -3.099 -0.942 -16.404 1.00 54.54 H new ATOM 572 N MET A 36 -1.949 2.578 -16.112 1.00 1.35 N ATOM 573 CA MET A 36 -2.101 3.605 -15.068 1.00 24.42 C ATOM 574 C MET A 36 -3.336 3.361 -14.186 1.00 12.51 C ATOM 575 O MET A 36 -3.340 3.738 -13.030 1.00 34.12 O ATOM 576 CB MET A 36 -2.176 5.000 -15.725 1.00 40.54 C ATOM 577 CG MET A 36 -0.953 5.411 -16.576 1.00 70.23 C ATOM 578 SD MET A 36 0.481 5.923 -15.601 1.00 44.14 S ATOM 579 CE MET A 36 1.199 4.391 -15.006 1.00 74.32 C ATOM 0 H MET A 36 -2.001 2.955 -17.058 1.00 1.35 H new ATOM 0 HA MET A 36 -1.230 3.550 -14.415 1.00 24.42 H new ATOM 0 HB2 MET A 36 -3.063 5.035 -16.358 1.00 40.54 H new ATOM 0 HB3 MET A 36 -2.315 5.743 -14.940 1.00 40.54 H new ATOM 0 HG2 MET A 36 -0.667 4.573 -17.212 1.00 70.23 H new ATOM 0 HG3 MET A 36 -1.241 6.229 -17.237 1.00 70.23 H new ATOM 0 HE1 MET A 36 2.267 4.531 -14.836 1.00 74.32 H new ATOM 0 HE2 MET A 36 0.718 4.102 -14.072 1.00 74.32 H new ATOM 0 HE3 MET A 36 1.050 3.607 -15.748 1.00 74.32 H new ATOM 589 N GLU A 37 -4.354 2.715 -14.759 1.00 72.51 N ATOM 590 CA GLU A 37 -5.634 2.385 -14.079 1.00 23.34 C ATOM 591 C GLU A 37 -5.416 1.455 -12.868 1.00 60.31 C ATOM 592 O GLU A 37 -6.043 1.623 -11.816 1.00 70.31 O ATOM 593 CB GLU A 37 -6.633 1.739 -15.075 1.00 73.20 C ATOM 594 CG GLU A 37 -7.074 2.657 -16.241 1.00 61.23 C ATOM 595 CD GLU A 37 -5.952 3.000 -17.246 1.00 43.35 C ATOM 596 OE1 GLU A 37 -5.443 2.077 -17.919 1.00 40.11 O ATOM 597 OE2 GLU A 37 -5.537 4.174 -17.321 1.00 42.21 O ATOM 0 H GLU A 37 -4.323 2.395 -15.727 1.00 72.51 H new ATOM 0 HA GLU A 37 -6.055 3.321 -13.710 1.00 23.34 H new ATOM 0 HB2 GLU A 37 -6.179 0.840 -15.491 1.00 73.20 H new ATOM 0 HB3 GLU A 37 -7.519 1.423 -14.525 1.00 73.20 H new ATOM 0 HG2 GLU A 37 -7.890 2.174 -16.778 1.00 61.23 H new ATOM 0 HG3 GLU A 37 -7.470 3.584 -15.827 1.00 61.23 H new ATOM 604 N TYR A 38 -4.511 0.477 -13.036 1.00 35.04 N ATOM 605 CA TYR A 38 -4.088 -0.431 -11.948 1.00 72.13 C ATOM 606 C TYR A 38 -3.207 0.301 -10.918 1.00 50.43 C ATOM 607 O TYR A 38 -3.228 -0.035 -9.741 1.00 34.42 O ATOM 608 CB TYR A 38 -3.376 -1.678 -12.526 1.00 42.15 C ATOM 609 CG TYR A 38 -4.358 -2.678 -13.141 1.00 73.10 C ATOM 610 CD1 TYR A 38 -5.185 -3.451 -12.320 1.00 55.33 C ATOM 611 CD2 TYR A 38 -4.488 -2.829 -14.523 1.00 65.34 C ATOM 612 CE1 TYR A 38 -6.097 -4.338 -12.854 1.00 10.12 C ATOM 613 CE2 TYR A 38 -5.396 -3.717 -15.061 1.00 13.03 C ATOM 614 CZ TYR A 38 -6.200 -4.468 -14.226 1.00 53.25 C ATOM 615 OH TYR A 38 -7.103 -5.356 -14.771 1.00 14.40 O ATOM 0 H TYR A 38 -4.050 0.291 -13.927 1.00 35.04 H new ATOM 0 HA TYR A 38 -4.980 -0.770 -11.421 1.00 72.13 H new ATOM 0 HB2 TYR A 38 -2.658 -1.364 -13.284 1.00 42.15 H new ATOM 0 HB3 TYR A 38 -2.810 -2.169 -11.735 1.00 42.15 H new ATOM 0 HD1 TYR A 38 -5.108 -3.352 -11.247 1.00 55.33 H new ATOM 0 HD2 TYR A 38 -3.867 -2.240 -15.182 1.00 65.34 H new ATOM 0 HE1 TYR A 38 -6.727 -4.927 -12.204 1.00 10.12 H new ATOM 0 HE2 TYR A 38 -5.478 -3.825 -16.132 1.00 13.03 H new ATOM 0 HH TYR A 38 -7.047 -5.321 -15.749 1.00 14.40 H new ATOM 625 N TRP A 39 -2.448 1.309 -11.366 1.00 42.10 N ATOM 626 CA TRP A 39 -1.697 2.195 -10.458 1.00 1.25 C ATOM 627 C TRP A 39 -2.622 3.188 -9.708 1.00 70.53 C ATOM 628 O TRP A 39 -2.290 3.609 -8.612 1.00 13.04 O ATOM 629 CB TRP A 39 -0.546 2.915 -11.211 1.00 74.52 C ATOM 630 CG TRP A 39 0.616 1.989 -11.534 1.00 24.25 C ATOM 631 CD1 TRP A 39 1.124 1.686 -12.765 1.00 42.13 C ATOM 632 CD2 TRP A 39 1.389 1.218 -10.587 1.00 23.11 C ATOM 633 NE1 TRP A 39 2.174 0.818 -12.638 1.00 22.41 N ATOM 634 CE2 TRP A 39 2.346 0.508 -11.313 1.00 71.41 C ATOM 635 CE3 TRP A 39 1.373 1.070 -9.196 1.00 22.24 C ATOM 636 CZ2 TRP A 39 3.272 -0.339 -10.700 1.00 0.35 C ATOM 637 CZ3 TRP A 39 2.284 0.229 -8.591 1.00 20.54 C ATOM 638 CH2 TRP A 39 3.223 -0.470 -9.346 1.00 74.14 C ATOM 0 H TRP A 39 -2.336 1.534 -12.354 1.00 42.10 H new ATOM 0 HA TRP A 39 -1.243 1.569 -9.690 1.00 1.25 H new ATOM 0 HB2 TRP A 39 -0.934 3.341 -12.137 1.00 74.52 H new ATOM 0 HB3 TRP A 39 -0.185 3.746 -10.605 1.00 74.52 H new ATOM 0 HD1 TRP A 39 0.752 2.075 -13.701 1.00 42.13 H new ATOM 0 HE1 TRP A 39 2.739 0.458 -13.407 1.00 22.41 H new ATOM 0 HE3 TRP A 39 0.653 1.610 -8.600 1.00 22.24 H new ATOM 0 HZ2 TRP A 39 4.006 -0.875 -11.284 1.00 0.35 H new ATOM 0 HZ3 TRP A 39 2.269 0.111 -7.518 1.00 20.54 H new ATOM 0 HH2 TRP A 39 3.923 -1.126 -8.850 1.00 74.14 H new ATOM 649 N ASN A 40 -3.781 3.558 -10.297 1.00 61.54 N ATOM 650 CA ASN A 40 -4.829 4.331 -9.574 1.00 64.03 C ATOM 651 C ASN A 40 -5.387 3.489 -8.412 1.00 71.31 C ATOM 652 O ASN A 40 -5.557 3.994 -7.306 1.00 43.32 O ATOM 653 CB ASN A 40 -5.990 4.762 -10.506 1.00 71.21 C ATOM 654 CG ASN A 40 -5.603 5.896 -11.443 1.00 14.14 C ATOM 655 OD1 ASN A 40 -5.246 5.570 -12.649 1.00 41.14 O flip ATOM 656 ND2 ASN A 40 -5.653 7.064 -11.085 1.00 12.42 N flip ATOM 0 H ASN A 40 -4.018 3.338 -11.264 1.00 61.54 H new ATOM 0 HA ASN A 40 -4.360 5.238 -9.192 1.00 64.03 H new ATOM 0 HB2 ASN A 40 -6.314 3.904 -11.095 1.00 71.21 H new ATOM 0 HB3 ASN A 40 -6.841 5.072 -9.899 1.00 71.21 H new ATOM 0 HD21 ASN A 40 -5.936 7.294 -10.132 1.00 12.42 H new ATOM 0 HD22 ASN A 40 -5.411 7.809 -11.739 1.00 12.42 H new ATOM 663 N LYS A 41 -5.649 2.193 -8.691 1.00 51.31 N ATOM 664 CA LYS A 41 -6.044 1.200 -7.653 1.00 64.14 C ATOM 665 C LYS A 41 -5.047 1.196 -6.470 1.00 52.14 C ATOM 666 O LYS A 41 -5.406 1.518 -5.344 1.00 2.24 O ATOM 667 CB LYS A 41 -6.072 -0.233 -8.254 1.00 42.01 C ATOM 668 CG LYS A 41 -7.160 -0.501 -9.302 1.00 34.34 C ATOM 669 CD LYS A 41 -8.584 -0.520 -8.688 1.00 2.43 C ATOM 670 CE LYS A 41 -9.576 -1.287 -9.570 1.00 5.11 C ATOM 671 NZ LYS A 41 -9.172 -2.712 -9.729 1.00 71.05 N ATOM 0 H LYS A 41 -5.595 1.803 -9.632 1.00 51.31 H new ATOM 0 HA LYS A 41 -7.034 1.487 -7.299 1.00 64.14 H new ATOM 0 HB2 LYS A 41 -5.101 -0.435 -8.707 1.00 42.01 H new ATOM 0 HB3 LYS A 41 -6.197 -0.945 -7.439 1.00 42.01 H new ATOM 0 HG2 LYS A 41 -7.112 0.265 -10.076 1.00 34.34 H new ATOM 0 HG3 LYS A 41 -6.964 -1.457 -9.788 1.00 34.34 H new ATOM 0 HD2 LYS A 41 -8.547 -0.978 -7.700 1.00 2.43 H new ATOM 0 HD3 LYS A 41 -8.935 0.503 -8.552 1.00 2.43 H new ATOM 0 HE2 LYS A 41 -10.572 -1.236 -9.129 1.00 5.11 H new ATOM 0 HE3 LYS A 41 -9.636 -0.813 -10.550 1.00 5.11 H new ATOM 0 HZ1 LYS A 41 -8.985 -2.910 -10.733 1.00 71.05 H new ATOM 0 HZ2 LYS A 41 -8.311 -2.893 -9.174 1.00 71.05 H new ATOM 0 HZ3 LYS A 41 -9.938 -3.330 -9.392 1.00 71.05 H new ATOM 685 N ILE A 42 -3.774 0.935 -6.795 1.00 10.11 N ATOM 686 CA ILE A 42 -2.694 0.740 -5.806 1.00 4.53 C ATOM 687 C ILE A 42 -2.403 2.034 -5.009 1.00 12.43 C ATOM 688 O ILE A 42 -2.240 1.981 -3.800 1.00 12.33 O ATOM 689 CB ILE A 42 -1.410 0.214 -6.547 1.00 3.14 C ATOM 690 CG1 ILE A 42 -1.721 -1.180 -7.202 1.00 22.35 C ATOM 691 CG2 ILE A 42 -0.177 0.132 -5.609 1.00 45.34 C ATOM 692 CD1 ILE A 42 -0.736 -1.639 -8.261 1.00 54.41 C ATOM 0 H ILE A 42 -3.457 0.851 -7.761 1.00 10.11 H new ATOM 0 HA ILE A 42 -3.014 -0.002 -5.074 1.00 4.53 H new ATOM 0 HB ILE A 42 -1.150 0.930 -7.326 1.00 3.14 H new ATOM 0 HG12 ILE A 42 -1.757 -1.932 -6.414 1.00 22.35 H new ATOM 0 HG13 ILE A 42 -2.714 -1.138 -7.649 1.00 22.35 H new ATOM 0 HG21 ILE A 42 0.682 -0.237 -6.169 1.00 45.34 H new ATOM 0 HG22 ILE A 42 0.046 1.123 -5.213 1.00 45.34 H new ATOM 0 HG23 ILE A 42 -0.392 -0.548 -4.785 1.00 45.34 H new ATOM 0 HD11 ILE A 42 -1.044 -2.611 -8.647 1.00 54.41 H new ATOM 0 HD12 ILE A 42 -0.714 -0.915 -9.076 1.00 54.41 H new ATOM 0 HD13 ILE A 42 0.258 -1.721 -7.822 1.00 54.41 H new ATOM 704 N TYR A 43 -2.393 3.185 -5.699 1.00 44.43 N ATOM 705 CA TYR A 43 -2.181 4.510 -5.064 1.00 75.35 C ATOM 706 C TYR A 43 -3.268 4.824 -4.002 1.00 63.33 C ATOM 707 O TYR A 43 -2.954 5.219 -2.877 1.00 62.33 O ATOM 708 CB TYR A 43 -2.153 5.627 -6.147 1.00 45.24 C ATOM 709 CG TYR A 43 -2.007 7.049 -5.588 1.00 33.24 C ATOM 710 CD1 TYR A 43 -0.851 7.430 -4.909 1.00 53.23 C ATOM 711 CD2 TYR A 43 -3.039 7.988 -5.696 1.00 71.11 C ATOM 712 CE1 TYR A 43 -0.724 8.694 -4.377 1.00 11.13 C ATOM 713 CE2 TYR A 43 -2.914 9.253 -5.159 1.00 4.21 C ATOM 714 CZ TYR A 43 -1.758 9.599 -4.495 1.00 11.44 C ATOM 715 OH TYR A 43 -1.634 10.857 -3.945 1.00 15.21 O ATOM 0 H TYR A 43 -2.530 3.232 -6.709 1.00 44.43 H new ATOM 0 HA TYR A 43 -1.219 4.478 -4.552 1.00 75.35 H new ATOM 0 HB2 TYR A 43 -1.327 5.432 -6.831 1.00 45.24 H new ATOM 0 HB3 TYR A 43 -3.071 5.572 -6.732 1.00 45.24 H new ATOM 0 HD1 TYR A 43 -0.042 6.723 -4.798 1.00 53.23 H new ATOM 0 HD2 TYR A 43 -3.950 7.718 -6.209 1.00 71.11 H new ATOM 0 HE1 TYR A 43 0.185 8.977 -3.867 1.00 11.13 H new ATOM 0 HE2 TYR A 43 -3.718 9.967 -5.259 1.00 4.21 H new ATOM 0 HH TYR A 43 -2.450 11.371 -4.118 1.00 15.21 H new ATOM 725 N ARG A 44 -4.541 4.637 -4.387 1.00 10.01 N ATOM 726 CA ARG A 44 -5.710 4.952 -3.527 1.00 4.12 C ATOM 727 C ARG A 44 -5.849 3.968 -2.336 1.00 35.11 C ATOM 728 O ARG A 44 -6.232 4.375 -1.232 1.00 4.24 O ATOM 729 CB ARG A 44 -6.998 4.974 -4.389 1.00 42.25 C ATOM 730 CG ARG A 44 -6.983 6.055 -5.501 1.00 21.41 C ATOM 731 CD ARG A 44 -8.173 5.934 -6.474 1.00 42.35 C ATOM 732 NE ARG A 44 -8.057 6.878 -7.610 1.00 35.21 N ATOM 733 CZ ARG A 44 -8.599 6.716 -8.801 1.00 73.51 C ATOM 734 NH1 ARG A 44 -9.349 5.687 -9.065 1.00 61.24 N ATOM 735 NH2 ARG A 44 -8.381 7.590 -9.722 1.00 34.23 N ATOM 0 H ARG A 44 -4.796 4.264 -5.301 1.00 10.01 H new ATOM 0 HA ARG A 44 -5.552 5.939 -3.091 1.00 4.12 H new ATOM 0 HB2 ARG A 44 -7.135 3.995 -4.848 1.00 42.25 H new ATOM 0 HB3 ARG A 44 -7.857 5.145 -3.740 1.00 42.25 H new ATOM 0 HG2 ARG A 44 -6.996 7.043 -5.040 1.00 21.41 H new ATOM 0 HG3 ARG A 44 -6.052 5.978 -6.063 1.00 21.41 H new ATOM 0 HD2 ARG A 44 -8.229 4.914 -6.854 1.00 42.35 H new ATOM 0 HD3 ARG A 44 -9.102 6.125 -5.937 1.00 42.35 H new ATOM 0 HE ARG A 44 -7.511 7.726 -7.458 1.00 35.21 H new ATOM 0 HH11 ARG A 44 -9.527 4.987 -8.344 1.00 61.24 H new ATOM 0 HH12 ARG A 44 -9.759 5.580 -9.993 1.00 61.24 H new ATOM 0 HH21 ARG A 44 -7.793 8.400 -9.527 1.00 34.23 H new ATOM 0 HH22 ARG A 44 -8.797 7.472 -10.646 1.00 34.23 H new ATOM 749 N LEU A 45 -5.526 2.680 -2.566 1.00 62.21 N ATOM 750 CA LEU A 45 -5.539 1.646 -1.498 1.00 2.22 C ATOM 751 C LEU A 45 -4.386 1.874 -0.481 1.00 42.10 C ATOM 752 O LEU A 45 -4.577 1.713 0.725 1.00 54.31 O ATOM 753 CB LEU A 45 -5.464 0.219 -2.113 1.00 64.31 C ATOM 754 CG LEU A 45 -6.633 -0.187 -3.081 1.00 32.00 C ATOM 755 CD1 LEU A 45 -6.402 -1.582 -3.706 1.00 5.20 C ATOM 756 CD2 LEU A 45 -8.003 -0.110 -2.379 1.00 4.45 C ATOM 0 H LEU A 45 -5.252 2.325 -3.482 1.00 62.21 H new ATOM 0 HA LEU A 45 -6.481 1.734 -0.956 1.00 2.22 H new ATOM 0 HB2 LEU A 45 -4.524 0.130 -2.657 1.00 64.31 H new ATOM 0 HB3 LEU A 45 -5.430 -0.503 -1.297 1.00 64.31 H new ATOM 0 HG LEU A 45 -6.639 0.538 -3.895 1.00 32.00 H new ATOM 0 HD11 LEU A 45 -7.232 -1.826 -4.369 1.00 5.20 H new ATOM 0 HD12 LEU A 45 -5.473 -1.576 -4.276 1.00 5.20 H new ATOM 0 HD13 LEU A 45 -6.338 -2.329 -2.915 1.00 5.20 H new ATOM 0 HD21 LEU A 45 -8.787 -0.398 -3.079 1.00 4.45 H new ATOM 0 HD22 LEU A 45 -8.013 -0.787 -1.525 1.00 4.45 H new ATOM 0 HD23 LEU A 45 -8.179 0.909 -2.036 1.00 4.45 H new ATOM 768 N VAL A 46 -3.199 2.274 -0.990 1.00 70.22 N ATOM 769 CA VAL A 46 -2.027 2.652 -0.148 1.00 25.43 C ATOM 770 C VAL A 46 -2.285 3.975 0.624 1.00 62.03 C ATOM 771 O VAL A 46 -1.807 4.142 1.752 1.00 24.32 O ATOM 772 CB VAL A 46 -0.703 2.753 -1.010 1.00 50.43 C ATOM 773 CG1 VAL A 46 0.444 3.452 -0.240 1.00 4.53 C ATOM 774 CG2 VAL A 46 -0.254 1.343 -1.481 1.00 14.41 C ATOM 0 H VAL A 46 -3.020 2.346 -1.992 1.00 70.22 H new ATOM 0 HA VAL A 46 -1.889 1.858 0.586 1.00 25.43 H new ATOM 0 HB VAL A 46 -0.931 3.367 -1.881 1.00 50.43 H new ATOM 0 HG11 VAL A 46 1.331 3.498 -0.872 1.00 4.53 H new ATOM 0 HG12 VAL A 46 0.138 4.463 0.030 1.00 4.53 H new ATOM 0 HG13 VAL A 46 0.671 2.888 0.665 1.00 4.53 H new ATOM 0 HG21 VAL A 46 0.658 1.430 -2.072 1.00 14.41 H new ATOM 0 HG22 VAL A 46 -0.064 0.713 -0.612 1.00 14.41 H new ATOM 0 HG23 VAL A 46 -1.040 0.895 -2.089 1.00 14.41 H new ATOM 784 N HIS A 47 -3.054 4.899 0.010 1.00 62.50 N ATOM 785 CA HIS A 47 -3.518 6.140 0.681 1.00 54.34 C ATOM 786 C HIS A 47 -4.347 5.789 1.932 1.00 15.41 C ATOM 787 O HIS A 47 -4.209 6.426 2.986 1.00 24.21 O ATOM 788 CB HIS A 47 -4.369 7.012 -0.282 1.00 53.13 C ATOM 789 CG HIS A 47 -4.910 8.277 0.351 1.00 21.13 C ATOM 790 ND1 HIS A 47 -6.054 8.310 1.126 1.00 11.12 N ATOM 791 CD2 HIS A 47 -4.443 9.546 0.341 1.00 13.24 C ATOM 792 CE1 HIS A 47 -6.253 9.537 1.560 1.00 1.35 C ATOM 793 NE2 HIS A 47 -5.289 10.296 1.101 1.00 21.12 N ATOM 0 H HIS A 47 -3.370 4.811 -0.956 1.00 62.50 H new ATOM 0 HA HIS A 47 -2.638 6.711 0.977 1.00 54.34 H new ATOM 0 HB2 HIS A 47 -3.761 7.281 -1.146 1.00 53.13 H new ATOM 0 HB3 HIS A 47 -5.204 6.417 -0.653 1.00 53.13 H new ATOM 0 HD2 HIS A 47 -3.562 9.900 -0.174 1.00 13.24 H new ATOM 0 HE1 HIS A 47 -7.070 9.862 2.187 1.00 1.35 H new ATOM 0 HE2 HIS A 47 -5.188 11.294 1.284 1.00 21.12 H new ATOM 802 N THR A 48 -5.206 4.761 1.786 1.00 62.12 N ATOM 803 CA THR A 48 -6.019 4.242 2.891 1.00 32.01 C ATOM 804 C THR A 48 -5.120 3.592 3.964 1.00 14.32 C ATOM 805 O THR A 48 -5.297 3.849 5.139 1.00 40.55 O ATOM 806 CB THR A 48 -7.107 3.244 2.392 1.00 62.51 C ATOM 807 OG1 THR A 48 -7.920 3.888 1.395 1.00 41.15 O ATOM 808 CG2 THR A 48 -8.013 2.737 3.539 1.00 11.14 C ATOM 0 H THR A 48 -5.352 4.273 0.902 1.00 62.12 H new ATOM 0 HA THR A 48 -6.542 5.085 3.342 1.00 32.01 H new ATOM 0 HB THR A 48 -6.592 2.379 1.973 1.00 62.51 H new ATOM 0 HG1 THR A 48 -7.393 4.022 0.580 1.00 41.15 H new ATOM 0 HG21 THR A 48 -8.754 2.045 3.139 1.00 11.14 H new ATOM 0 HG22 THR A 48 -7.404 2.226 4.285 1.00 11.14 H new ATOM 0 HG23 THR A 48 -8.520 3.583 4.003 1.00 11.14 H new ATOM 816 N MET A 49 -4.109 2.806 3.537 1.00 33.41 N ATOM 817 CA MET A 49 -3.102 2.206 4.462 1.00 50.21 C ATOM 818 C MET A 49 -2.336 3.287 5.257 1.00 74.12 C ATOM 819 O MET A 49 -2.014 3.089 6.431 1.00 73.53 O ATOM 820 CB MET A 49 -2.085 1.343 3.679 1.00 45.30 C ATOM 821 CG MET A 49 -2.707 0.176 2.936 1.00 42.33 C ATOM 822 SD MET A 49 -1.514 -0.749 1.961 1.00 4.30 S ATOM 823 CE MET A 49 -2.593 -1.964 1.220 1.00 22.32 C ATOM 0 H MET A 49 -3.961 2.567 2.556 1.00 33.41 H new ATOM 0 HA MET A 49 -3.653 1.581 5.165 1.00 50.21 H new ATOM 0 HB2 MET A 49 -1.561 1.977 2.964 1.00 45.30 H new ATOM 0 HB3 MET A 49 -1.338 0.961 4.374 1.00 45.30 H new ATOM 0 HG2 MET A 49 -3.180 -0.494 3.654 1.00 42.33 H new ATOM 0 HG3 MET A 49 -3.494 0.548 2.280 1.00 42.33 H new ATOM 0 HE1 MET A 49 -1.997 -2.699 0.679 1.00 22.32 H new ATOM 0 HE2 MET A 49 -3.166 -2.465 2.000 1.00 22.32 H new ATOM 0 HE3 MET A 49 -3.276 -1.471 0.528 1.00 22.32 H new ATOM 833 N LYS A 50 -2.064 4.426 4.594 1.00 43.31 N ATOM 834 CA LYS A 50 -1.339 5.554 5.203 1.00 14.22 C ATOM 835 C LYS A 50 -2.196 6.219 6.295 1.00 11.24 C ATOM 836 O LYS A 50 -1.750 6.353 7.422 1.00 71.14 O ATOM 837 CB LYS A 50 -0.922 6.602 4.138 1.00 35.23 C ATOM 838 CG LYS A 50 0.054 7.681 4.670 1.00 25.23 C ATOM 839 CD LYS A 50 0.465 8.714 3.593 1.00 4.31 C ATOM 840 CE LYS A 50 -0.717 9.581 3.114 1.00 21.24 C ATOM 841 NZ LYS A 50 -1.274 10.413 4.210 1.00 52.24 N ATOM 0 H LYS A 50 -2.340 4.589 3.626 1.00 43.31 H new ATOM 0 HA LYS A 50 -0.431 5.157 5.657 1.00 14.22 H new ATOM 0 HB2 LYS A 50 -0.456 6.087 3.298 1.00 35.23 H new ATOM 0 HB3 LYS A 50 -1.817 7.092 3.755 1.00 35.23 H new ATOM 0 HG2 LYS A 50 -0.412 8.203 5.506 1.00 25.23 H new ATOM 0 HG3 LYS A 50 0.949 7.194 5.057 1.00 25.23 H new ATOM 0 HD2 LYS A 50 1.244 9.361 3.995 1.00 4.31 H new ATOM 0 HD3 LYS A 50 0.895 8.190 2.739 1.00 4.31 H new ATOM 0 HE2 LYS A 50 -0.387 10.227 2.300 1.00 21.24 H new ATOM 0 HE3 LYS A 50 -1.500 8.937 2.713 1.00 21.24 H new ATOM 0 HZ1 LYS A 50 -1.985 11.066 3.823 1.00 52.24 H new ATOM 0 HZ2 LYS A 50 -1.719 9.798 4.921 1.00 52.24 H new ATOM 0 HZ3 LYS A 50 -0.509 10.959 4.655 1.00 52.24 H new ATOM 855 N GLU A 51 -3.443 6.595 5.950 1.00 60.43 N ATOM 856 CA GLU A 51 -4.389 7.231 6.910 1.00 53.33 C ATOM 857 C GLU A 51 -4.726 6.281 8.096 1.00 3.54 C ATOM 858 O GLU A 51 -4.999 6.752 9.207 1.00 41.14 O ATOM 859 CB GLU A 51 -5.678 7.739 6.196 1.00 31.34 C ATOM 860 CG GLU A 51 -6.604 6.636 5.656 1.00 44.13 C ATOM 861 CD GLU A 51 -7.736 7.157 4.753 1.00 74.43 C ATOM 862 OE1 GLU A 51 -8.827 7.480 5.268 1.00 24.14 O ATOM 863 OE2 GLU A 51 -7.547 7.240 3.521 1.00 41.12 O ATOM 0 H GLU A 51 -3.827 6.472 5.013 1.00 60.43 H new ATOM 0 HA GLU A 51 -3.887 8.104 7.328 1.00 53.33 H new ATOM 0 HB2 GLU A 51 -6.243 8.355 6.895 1.00 31.34 H new ATOM 0 HB3 GLU A 51 -5.385 8.384 5.367 1.00 31.34 H new ATOM 0 HG2 GLU A 51 -6.007 5.917 5.095 1.00 44.13 H new ATOM 0 HG3 GLU A 51 -7.042 6.099 6.497 1.00 44.13 H new ATOM 870 N ILE A 52 -4.699 4.946 7.840 1.00 10.23 N ATOM 871 CA ILE A 52 -4.808 3.913 8.905 1.00 14.53 C ATOM 872 C ILE A 52 -3.648 4.054 9.922 1.00 73.05 C ATOM 873 O ILE A 52 -3.886 4.320 11.095 1.00 23.11 O ATOM 874 CB ILE A 52 -4.830 2.442 8.303 1.00 23.51 C ATOM 875 CG1 ILE A 52 -6.156 2.182 7.516 1.00 71.12 C ATOM 876 CG2 ILE A 52 -4.616 1.352 9.396 1.00 42.55 C ATOM 877 CD1 ILE A 52 -6.214 0.850 6.769 1.00 2.24 C ATOM 0 H ILE A 52 -4.602 4.559 6.901 1.00 10.23 H new ATOM 0 HA ILE A 52 -5.755 4.077 9.419 1.00 14.53 H new ATOM 0 HB ILE A 52 -3.992 2.370 7.609 1.00 23.51 H new ATOM 0 HG12 ILE A 52 -6.990 2.225 8.216 1.00 71.12 H new ATOM 0 HG13 ILE A 52 -6.299 2.990 6.799 1.00 71.12 H new ATOM 0 HG21 ILE A 52 -4.639 0.365 8.935 1.00 42.55 H new ATOM 0 HG22 ILE A 52 -3.650 1.505 9.878 1.00 42.55 H new ATOM 0 HG23 ILE A 52 -5.409 1.423 10.141 1.00 42.55 H new ATOM 0 HD11 ILE A 52 -7.171 0.762 6.255 1.00 2.24 H new ATOM 0 HD12 ILE A 52 -5.405 0.806 6.040 1.00 2.24 H new ATOM 0 HD13 ILE A 52 -6.107 0.030 7.479 1.00 2.24 H new ATOM 889 N THR A 53 -2.391 3.928 9.450 1.00 53.31 N ATOM 890 CA THR A 53 -1.196 3.984 10.334 1.00 71.11 C ATOM 891 C THR A 53 -1.006 5.383 10.982 1.00 12.43 C ATOM 892 O THR A 53 -0.471 5.486 12.089 1.00 22.55 O ATOM 893 CB THR A 53 0.120 3.518 9.613 1.00 53.01 C ATOM 894 OG1 THR A 53 1.243 3.700 10.460 1.00 35.55 O ATOM 895 CG2 THR A 53 0.388 4.246 8.302 1.00 34.44 C ATOM 0 H THR A 53 -2.171 3.787 8.464 1.00 53.31 H new ATOM 0 HA THR A 53 -1.393 3.271 11.135 1.00 71.11 H new ATOM 0 HB THR A 53 -0.032 2.463 9.385 1.00 53.01 H new ATOM 0 HG1 THR A 53 1.498 4.646 10.466 1.00 35.55 H new ATOM 0 HG21 THR A 53 1.312 3.873 7.861 1.00 34.44 H new ATOM 0 HG22 THR A 53 -0.439 4.072 7.614 1.00 34.44 H new ATOM 0 HG23 THR A 53 0.483 5.315 8.492 1.00 34.44 H new ATOM 903 N GLU A 54 -1.472 6.449 10.301 1.00 73.43 N ATOM 904 CA GLU A 54 -1.443 7.832 10.842 1.00 21.33 C ATOM 905 C GLU A 54 -2.408 7.990 12.050 1.00 13.24 C ATOM 906 O GLU A 54 -2.054 8.642 13.038 1.00 2.13 O ATOM 907 CB GLU A 54 -1.778 8.874 9.730 1.00 2.15 C ATOM 908 CG GLU A 54 -0.702 9.003 8.630 1.00 40.12 C ATOM 909 CD GLU A 54 -1.094 9.929 7.458 1.00 64.35 C ATOM 910 OE1 GLU A 54 -2.214 9.789 6.929 1.00 71.34 O ATOM 911 OE2 GLU A 54 -0.278 10.781 7.039 1.00 30.42 O ATOM 0 H GLU A 54 -1.877 6.382 9.367 1.00 73.43 H new ATOM 0 HA GLU A 54 -0.430 8.023 11.197 1.00 21.33 H new ATOM 0 HB2 GLU A 54 -2.724 8.599 9.265 1.00 2.15 H new ATOM 0 HB3 GLU A 54 -1.923 9.849 10.195 1.00 2.15 H new ATOM 0 HG2 GLU A 54 0.217 9.377 9.080 1.00 40.12 H new ATOM 0 HG3 GLU A 54 -0.483 8.011 8.235 1.00 40.12 H new ATOM 918 N THR A 55 -3.618 7.374 11.980 1.00 23.03 N ATOM 919 CA THR A 55 -4.591 7.408 13.112 1.00 21.43 C ATOM 920 C THR A 55 -4.217 6.381 14.216 1.00 22.42 C ATOM 921 O THR A 55 -4.637 6.524 15.368 1.00 72.44 O ATOM 922 CB THR A 55 -6.084 7.203 12.656 1.00 41.41 C ATOM 923 OG1 THR A 55 -6.969 7.533 13.742 1.00 21.25 O ATOM 924 CG2 THR A 55 -6.390 5.770 12.185 1.00 71.41 C ATOM 0 H THR A 55 -3.943 6.854 11.165 1.00 23.03 H new ATOM 0 HA THR A 55 -4.522 8.413 13.528 1.00 21.43 H new ATOM 0 HB THR A 55 -6.239 7.864 11.803 1.00 41.41 H new ATOM 0 HG1 THR A 55 -7.898 7.407 13.457 1.00 21.25 H new ATOM 0 HG21 THR A 55 -7.436 5.701 11.886 1.00 71.41 H new ATOM 0 HG22 THR A 55 -5.753 5.522 11.336 1.00 71.41 H new ATOM 0 HG23 THR A 55 -6.199 5.071 12.999 1.00 71.41 H new ATOM 932 N MET A 56 -3.427 5.344 13.853 1.00 51.23 N ATOM 933 CA MET A 56 -2.823 4.407 14.840 1.00 62.42 C ATOM 934 C MET A 56 -1.708 5.113 15.661 1.00 72.42 C ATOM 935 O MET A 56 -1.402 4.710 16.791 1.00 40.01 O ATOM 936 CB MET A 56 -2.230 3.157 14.129 1.00 70.21 C ATOM 937 CG MET A 56 -3.246 2.284 13.382 1.00 3.53 C ATOM 938 SD MET A 56 -4.490 1.554 14.466 1.00 35.02 S ATOM 939 CE MET A 56 -5.445 0.589 13.291 1.00 74.22 C ATOM 0 H MET A 56 -3.190 5.132 12.884 1.00 51.23 H new ATOM 0 HA MET A 56 -3.615 4.087 15.517 1.00 62.42 H new ATOM 0 HB2 MET A 56 -1.471 3.488 13.421 1.00 70.21 H new ATOM 0 HB3 MET A 56 -1.725 2.542 14.873 1.00 70.21 H new ATOM 0 HG2 MET A 56 -3.744 2.887 12.623 1.00 3.53 H new ATOM 0 HG3 MET A 56 -2.716 1.487 12.860 1.00 3.53 H new ATOM 0 HE1 MET A 56 -6.113 -0.083 13.830 1.00 74.22 H new ATOM 0 HE2 MET A 56 -6.033 1.258 12.663 1.00 74.22 H new ATOM 0 HE3 MET A 56 -4.770 0.005 12.665 1.00 74.22 H new ATOM 949 N GLY A 57 -1.105 6.164 15.065 1.00 2.10 N ATOM 950 CA GLY A 57 -0.041 6.954 15.710 1.00 45.01 C ATOM 951 C GLY A 57 1.371 6.573 15.245 1.00 64.34 C ATOM 952 O GLY A 57 2.364 7.083 15.779 1.00 51.53 O ATOM 0 H GLY A 57 -1.343 6.486 14.127 1.00 2.10 H new ATOM 0 HA2 GLY A 57 -0.210 8.011 15.505 1.00 45.01 H new ATOM 0 HA3 GLY A 57 -0.107 6.824 16.790 1.00 45.01 H new ATOM 956 N PHE A 58 1.461 5.677 14.246 1.00 61.04 N ATOM 957 CA PHE A 58 2.741 5.203 13.688 1.00 23.31 C ATOM 958 C PHE A 58 3.238 6.137 12.562 1.00 13.41 C ATOM 959 O PHE A 58 2.810 6.022 11.407 1.00 51.32 O ATOM 960 CB PHE A 58 2.566 3.763 13.160 1.00 55.43 C ATOM 961 CG PHE A 58 2.297 2.727 14.241 1.00 32.24 C ATOM 962 CD1 PHE A 58 3.226 2.506 15.253 1.00 22.12 C ATOM 963 CD2 PHE A 58 1.121 1.977 14.247 1.00 31.54 C ATOM 964 CE1 PHE A 58 2.982 1.579 16.244 1.00 24.34 C ATOM 965 CE2 PHE A 58 0.878 1.051 15.238 1.00 70.43 C ATOM 966 CZ PHE A 58 1.815 0.850 16.233 1.00 24.25 C ATOM 0 H PHE A 58 0.644 5.259 13.801 1.00 61.04 H new ATOM 0 HA PHE A 58 3.493 5.211 14.477 1.00 23.31 H new ATOM 0 HB2 PHE A 58 1.742 3.748 12.446 1.00 55.43 H new ATOM 0 HB3 PHE A 58 3.465 3.477 12.615 1.00 55.43 H new ATOM 0 HD1 PHE A 58 4.149 3.067 15.262 1.00 22.12 H new ATOM 0 HD2 PHE A 58 0.391 2.124 13.465 1.00 31.54 H new ATOM 0 HE1 PHE A 58 3.707 1.425 17.029 1.00 24.34 H new ATOM 0 HE2 PHE A 58 -0.041 0.484 15.237 1.00 70.43 H new ATOM 0 HZ PHE A 58 1.631 0.118 17.005 1.00 24.25 H new ATOM 976 N SER A 59 4.132 7.069 12.922 1.00 33.44 N ATOM 977 CA SER A 59 4.723 8.033 11.970 1.00 22.32 C ATOM 978 C SER A 59 5.738 7.339 11.033 1.00 74.12 C ATOM 979 O SER A 59 5.743 7.587 9.830 1.00 12.51 O ATOM 980 CB SER A 59 5.413 9.180 12.737 1.00 34.53 C ATOM 981 OG SER A 59 4.526 9.795 13.664 1.00 24.15 O ATOM 0 H SER A 59 4.468 7.179 13.879 1.00 33.44 H new ATOM 0 HA SER A 59 3.919 8.442 11.359 1.00 22.32 H new ATOM 0 HB2 SER A 59 6.283 8.793 13.267 1.00 34.53 H new ATOM 0 HB3 SER A 59 5.776 9.926 12.030 1.00 34.53 H new ATOM 0 HG SER A 59 4.993 10.516 14.135 1.00 24.15 H new ATOM 987 N SER A 60 6.576 6.450 11.609 1.00 51.11 N ATOM 988 CA SER A 60 7.613 5.688 10.859 1.00 14.43 C ATOM 989 C SER A 60 6.994 4.787 9.766 1.00 63.10 C ATOM 990 O SER A 60 7.491 4.733 8.635 1.00 20.23 O ATOM 991 CB SER A 60 8.448 4.828 11.837 1.00 61.31 C ATOM 992 OG SER A 60 9.111 5.636 12.794 1.00 73.14 O ATOM 0 H SER A 60 6.557 6.236 12.606 1.00 51.11 H new ATOM 0 HA SER A 60 8.257 6.414 10.363 1.00 14.43 H new ATOM 0 HB2 SER A 60 7.797 4.117 12.346 1.00 61.31 H new ATOM 0 HB3 SER A 60 9.181 4.246 11.278 1.00 61.31 H new ATOM 0 HG SER A 60 9.630 5.067 13.400 1.00 73.14 H new ATOM 998 N VAL A 61 5.891 4.097 10.117 1.00 72.11 N ATOM 999 CA VAL A 61 5.152 3.231 9.171 1.00 45.24 C ATOM 1000 C VAL A 61 4.443 4.089 8.096 1.00 41.11 C ATOM 1001 O VAL A 61 4.448 3.742 6.916 1.00 72.14 O ATOM 1002 CB VAL A 61 4.106 2.332 9.912 1.00 75.25 C ATOM 1003 CG1 VAL A 61 3.426 1.320 8.949 1.00 52.41 C ATOM 1004 CG2 VAL A 61 4.745 1.612 11.124 1.00 73.44 C ATOM 0 H VAL A 61 5.489 4.122 11.054 1.00 72.11 H new ATOM 0 HA VAL A 61 5.878 2.577 8.688 1.00 45.24 H new ATOM 0 HB VAL A 61 3.324 2.991 10.289 1.00 75.25 H new ATOM 0 HG11 VAL A 61 2.708 0.716 9.504 1.00 52.41 H new ATOM 0 HG12 VAL A 61 2.909 1.862 8.157 1.00 52.41 H new ATOM 0 HG13 VAL A 61 4.183 0.671 8.510 1.00 52.41 H new ATOM 0 HG21 VAL A 61 3.994 0.995 11.618 1.00 73.44 H new ATOM 0 HG22 VAL A 61 5.565 0.981 10.781 1.00 73.44 H new ATOM 0 HG23 VAL A 61 5.127 2.352 11.827 1.00 73.44 H new ATOM 1014 N ALA A 62 3.873 5.235 8.527 1.00 42.52 N ATOM 1015 CA ALA A 62 3.252 6.221 7.608 1.00 40.21 C ATOM 1016 C ALA A 62 4.248 6.722 6.544 1.00 22.30 C ATOM 1017 O ALA A 62 3.853 6.984 5.418 1.00 50.04 O ATOM 1018 CB ALA A 62 2.678 7.411 8.389 1.00 64.31 C ATOM 0 H ALA A 62 3.829 5.503 9.510 1.00 42.52 H new ATOM 0 HA ALA A 62 2.440 5.708 7.093 1.00 40.21 H new ATOM 0 HB1 ALA A 62 2.228 8.120 7.694 1.00 64.31 H new ATOM 0 HB2 ALA A 62 1.919 7.056 9.087 1.00 64.31 H new ATOM 0 HB3 ALA A 62 3.478 7.903 8.942 1.00 64.31 H new ATOM 1024 N LYS A 63 5.539 6.836 6.927 1.00 34.44 N ATOM 1025 CA LYS A 63 6.631 7.231 6.005 1.00 44.45 C ATOM 1026 C LYS A 63 6.932 6.138 4.951 1.00 25.41 C ATOM 1027 O LYS A 63 7.236 6.467 3.801 1.00 43.45 O ATOM 1028 CB LYS A 63 7.911 7.601 6.800 1.00 70.41 C ATOM 1029 CG LYS A 63 7.758 8.864 7.679 1.00 53.34 C ATOM 1030 CD LYS A 63 9.047 9.231 8.454 1.00 2.41 C ATOM 1031 CE LYS A 63 10.236 9.562 7.526 1.00 22.15 C ATOM 1032 NZ LYS A 63 11.422 10.030 8.282 1.00 60.41 N ATOM 0 H LYS A 63 5.854 6.658 7.881 1.00 34.44 H new ATOM 0 HA LYS A 63 6.291 8.112 5.461 1.00 44.45 H new ATOM 0 HB2 LYS A 63 8.189 6.760 7.435 1.00 70.41 H new ATOM 0 HB3 LYS A 63 8.731 7.755 6.099 1.00 70.41 H new ATOM 0 HG2 LYS A 63 7.470 9.705 7.048 1.00 53.34 H new ATOM 0 HG3 LYS A 63 6.947 8.707 8.390 1.00 53.34 H new ATOM 0 HD2 LYS A 63 8.846 10.088 9.097 1.00 2.41 H new ATOM 0 HD3 LYS A 63 9.322 8.401 9.105 1.00 2.41 H new ATOM 0 HE2 LYS A 63 10.501 8.677 6.948 1.00 22.15 H new ATOM 0 HE3 LYS A 63 9.936 10.330 6.813 1.00 22.15 H new ATOM 0 HZ1 LYS A 63 12.195 10.240 7.619 1.00 60.41 H new ATOM 0 HZ2 LYS A 63 11.178 10.890 8.813 1.00 60.41 H new ATOM 0 HZ3 LYS A 63 11.726 9.288 8.945 1.00 60.41 H new ATOM 1046 N VAL A 64 6.824 4.849 5.341 1.00 1.43 N ATOM 1047 CA VAL A 64 6.971 3.714 4.391 1.00 5.32 C ATOM 1048 C VAL A 64 5.886 3.795 3.290 1.00 61.45 C ATOM 1049 O VAL A 64 6.180 3.716 2.100 1.00 35.34 O ATOM 1050 CB VAL A 64 6.872 2.310 5.103 1.00 3.31 C ATOM 1051 CG1 VAL A 64 7.095 1.149 4.090 1.00 62.34 C ATOM 1052 CG2 VAL A 64 7.858 2.206 6.294 1.00 13.11 C ATOM 0 H VAL A 64 6.636 4.565 6.302 1.00 1.43 H new ATOM 0 HA VAL A 64 7.966 3.800 3.954 1.00 5.32 H new ATOM 0 HB VAL A 64 5.862 2.217 5.503 1.00 3.31 H new ATOM 0 HG11 VAL A 64 7.021 0.194 4.609 1.00 62.34 H new ATOM 0 HG12 VAL A 64 6.336 1.197 3.309 1.00 62.34 H new ATOM 0 HG13 VAL A 64 8.084 1.242 3.641 1.00 62.34 H new ATOM 0 HG21 VAL A 64 7.762 1.226 6.761 1.00 13.11 H new ATOM 0 HG22 VAL A 64 8.878 2.339 5.934 1.00 13.11 H new ATOM 0 HG23 VAL A 64 7.628 2.980 7.026 1.00 13.11 H new ATOM 1062 N LEU A 65 4.635 3.991 3.724 1.00 1.21 N ATOM 1063 CA LEU A 65 3.476 4.137 2.818 1.00 5.21 C ATOM 1064 C LEU A 65 3.540 5.475 2.042 1.00 32.20 C ATOM 1065 O LEU A 65 3.090 5.551 0.904 1.00 34.12 O ATOM 1066 CB LEU A 65 2.141 4.015 3.619 1.00 34.24 C ATOM 1067 CG LEU A 65 1.726 2.575 4.076 1.00 60.30 C ATOM 1068 CD1 LEU A 65 1.465 1.661 2.863 1.00 30.11 C ATOM 1069 CD2 LEU A 65 2.763 1.943 5.019 1.00 10.04 C ATOM 0 H LEU A 65 4.392 4.054 4.713 1.00 1.21 H new ATOM 0 HA LEU A 65 3.511 3.331 2.085 1.00 5.21 H new ATOM 0 HB2 LEU A 65 2.217 4.645 4.505 1.00 34.24 H new ATOM 0 HB3 LEU A 65 1.337 4.423 3.006 1.00 34.24 H new ATOM 0 HG LEU A 65 0.797 2.678 4.637 1.00 60.30 H new ATOM 0 HD11 LEU A 65 1.179 0.668 3.210 1.00 30.11 H new ATOM 0 HD12 LEU A 65 0.661 2.080 2.258 1.00 30.11 H new ATOM 0 HD13 LEU A 65 2.371 1.588 2.261 1.00 30.11 H new ATOM 0 HD21 LEU A 65 2.431 0.946 5.309 1.00 10.04 H new ATOM 0 HD22 LEU A 65 3.723 1.872 4.509 1.00 10.04 H new ATOM 0 HD23 LEU A 65 2.870 2.562 5.909 1.00 10.04 H new ATOM 1081 N HIS A 66 4.150 6.502 2.666 1.00 4.13 N ATOM 1082 CA HIS A 66 4.318 7.847 2.067 1.00 34.55 C ATOM 1083 C HIS A 66 5.305 7.805 0.876 1.00 74.23 C ATOM 1084 O HIS A 66 5.187 8.612 -0.056 1.00 21.44 O ATOM 1085 CB HIS A 66 4.787 8.855 3.148 1.00 31.15 C ATOM 1086 CG HIS A 66 4.747 10.297 2.723 1.00 43.04 C ATOM 1087 ND1 HIS A 66 5.807 10.945 2.124 1.00 3.45 N ATOM 1088 CD2 HIS A 66 3.756 11.218 2.813 1.00 3.42 C ATOM 1089 CE1 HIS A 66 5.470 12.188 1.855 1.00 1.41 C ATOM 1090 NE2 HIS A 66 4.235 12.379 2.261 1.00 62.42 N ATOM 0 H HIS A 66 4.543 6.425 3.604 1.00 4.13 H new ATOM 0 HA HIS A 66 3.354 8.179 1.681 1.00 34.55 H new ATOM 0 HB2 HIS A 66 4.163 8.734 4.033 1.00 31.15 H new ATOM 0 HB3 HIS A 66 5.807 8.605 3.440 1.00 31.15 H new ATOM 0 HD2 HIS A 66 2.775 11.066 3.239 1.00 3.42 H new ATOM 0 HE1 HIS A 66 6.101 12.926 1.381 1.00 1.41 H new ATOM 0 HE2 HIS A 66 3.715 13.252 2.179 1.00 62.42 H new ATOM 1099 N THR A 67 6.276 6.855 0.908 1.00 15.12 N ATOM 1100 CA THR A 67 7.213 6.670 -0.235 1.00 53.13 C ATOM 1101 C THR A 67 6.474 6.056 -1.434 1.00 53.22 C ATOM 1102 O THR A 67 6.762 6.391 -2.576 1.00 40.31 O ATOM 1103 CB THR A 67 8.471 5.779 0.084 1.00 3.30 C ATOM 1104 OG1 THR A 67 8.094 4.411 0.300 1.00 20.02 O ATOM 1105 CG2 THR A 67 9.247 6.283 1.305 1.00 30.51 C ATOM 0 H THR A 67 6.430 6.219 1.691 1.00 15.12 H new ATOM 0 HA THR A 67 7.583 7.670 -0.460 1.00 53.13 H new ATOM 0 HB THR A 67 9.121 5.847 -0.788 1.00 3.30 H new ATOM 0 HG1 THR A 67 7.502 4.354 1.079 1.00 20.02 H new ATOM 0 HG21 THR A 67 10.105 5.635 1.484 1.00 30.51 H new ATOM 0 HG22 THR A 67 9.592 7.300 1.122 1.00 30.51 H new ATOM 0 HG23 THR A 67 8.596 6.273 2.179 1.00 30.51 H new ATOM 1113 N ILE A 68 5.499 5.173 -1.141 1.00 34.43 N ATOM 1114 CA ILE A 68 4.700 4.466 -2.172 1.00 41.41 C ATOM 1115 C ILE A 68 3.674 5.423 -2.811 1.00 15.44 C ATOM 1116 O ILE A 68 3.376 5.328 -4.003 1.00 23.55 O ATOM 1117 CB ILE A 68 3.957 3.205 -1.584 1.00 3.10 C ATOM 1118 CG1 ILE A 68 4.877 2.412 -0.602 1.00 71.42 C ATOM 1119 CG2 ILE A 68 3.430 2.284 -2.716 1.00 63.23 C ATOM 1120 CD1 ILE A 68 6.249 2.068 -1.143 1.00 62.21 C ATOM 0 H ILE A 68 5.240 4.927 -0.185 1.00 34.43 H new ATOM 0 HA ILE A 68 5.398 4.119 -2.934 1.00 41.41 H new ATOM 0 HB ILE A 68 3.097 3.565 -1.019 1.00 3.10 H new ATOM 0 HG12 ILE A 68 4.999 2.997 0.309 1.00 71.42 H new ATOM 0 HG13 ILE A 68 4.372 1.488 -0.322 1.00 71.42 H new ATOM 0 HG21 ILE A 68 2.923 1.424 -2.279 1.00 63.23 H new ATOM 0 HG22 ILE A 68 2.730 2.839 -3.341 1.00 63.23 H new ATOM 0 HG23 ILE A 68 4.266 1.941 -3.325 1.00 63.23 H new ATOM 0 HD11 ILE A 68 6.811 1.519 -0.388 1.00 62.21 H new ATOM 0 HD12 ILE A 68 6.144 1.452 -2.036 1.00 62.21 H new ATOM 0 HD13 ILE A 68 6.781 2.985 -1.395 1.00 62.21 H new ATOM 1132 N MET A 69 3.155 6.348 -1.984 1.00 3.05 N ATOM 1133 CA MET A 69 2.293 7.457 -2.438 1.00 41.45 C ATOM 1134 C MET A 69 2.996 8.269 -3.545 1.00 40.41 C ATOM 1135 O MET A 69 2.467 8.429 -4.635 1.00 31.34 O ATOM 1136 CB MET A 69 1.965 8.387 -1.248 1.00 64.11 C ATOM 1137 CG MET A 69 1.097 7.757 -0.159 1.00 3.03 C ATOM 1138 SD MET A 69 -0.631 7.578 -0.643 1.00 65.05 S ATOM 1139 CE MET A 69 -1.113 9.294 -0.825 1.00 62.31 C ATOM 0 H MET A 69 3.322 6.348 -0.978 1.00 3.05 H new ATOM 0 HA MET A 69 1.371 7.037 -2.839 1.00 41.45 H new ATOM 0 HB2 MET A 69 2.900 8.722 -0.799 1.00 64.11 H new ATOM 0 HB3 MET A 69 1.459 9.274 -1.628 1.00 64.11 H new ATOM 0 HG2 MET A 69 1.500 6.777 0.096 1.00 3.03 H new ATOM 0 HG3 MET A 69 1.154 8.369 0.741 1.00 3.03 H new ATOM 0 HE1 MET A 69 -1.953 9.365 -1.516 1.00 62.31 H new ATOM 0 HE2 MET A 69 -1.407 9.694 0.145 1.00 62.31 H new ATOM 0 HE3 MET A 69 -0.273 9.868 -1.215 1.00 62.31 H new ATOM 1149 N ASN A 70 4.225 8.711 -3.248 1.00 21.43 N ATOM 1150 CA ASN A 70 5.060 9.474 -4.191 1.00 13.14 C ATOM 1151 C ASN A 70 5.447 8.619 -5.420 1.00 43.21 C ATOM 1152 O ASN A 70 5.382 9.087 -6.549 1.00 25.23 O ATOM 1153 CB ASN A 70 6.333 9.970 -3.464 1.00 4.13 C ATOM 1154 CG ASN A 70 7.242 10.865 -4.328 1.00 1.42 C ATOM 1155 OD1 ASN A 70 8.462 10.841 -4.196 1.00 1.15 O ATOM 1156 ND2 ASN A 70 6.668 11.674 -5.209 1.00 22.33 N ATOM 0 H ASN A 70 4.671 8.550 -2.345 1.00 21.43 H new ATOM 0 HA ASN A 70 4.485 10.328 -4.550 1.00 13.14 H new ATOM 0 HB2 ASN A 70 6.037 10.524 -2.573 1.00 4.13 H new ATOM 0 HB3 ASN A 70 6.906 9.106 -3.127 1.00 4.13 H new ATOM 0 HD21 ASN A 70 7.242 12.287 -5.788 1.00 22.33 H new ATOM 0 HD22 ASN A 70 5.653 11.683 -5.307 1.00 22.33 H new ATOM 1163 N LEU A 71 5.817 7.359 -5.150 1.00 72.33 N ATOM 1164 CA LEU A 71 6.316 6.391 -6.159 1.00 33.01 C ATOM 1165 C LEU A 71 5.286 6.211 -7.306 1.00 41.23 C ATOM 1166 O LEU A 71 5.582 6.462 -8.480 1.00 22.04 O ATOM 1167 CB LEU A 71 6.604 5.030 -5.427 1.00 24.12 C ATOM 1168 CG LEU A 71 7.664 4.060 -6.044 1.00 5.43 C ATOM 1169 CD1 LEU A 71 7.958 2.882 -5.080 1.00 11.03 C ATOM 1170 CD2 LEU A 71 7.238 3.528 -7.426 1.00 20.41 C ATOM 0 H LEU A 71 5.780 6.969 -4.208 1.00 72.33 H new ATOM 0 HA LEU A 71 7.234 6.762 -6.616 1.00 33.01 H new ATOM 0 HB2 LEU A 71 6.919 5.261 -4.409 1.00 24.12 H new ATOM 0 HB3 LEU A 71 5.662 4.487 -5.353 1.00 24.12 H new ATOM 0 HG LEU A 71 8.577 4.639 -6.187 1.00 5.43 H new ATOM 0 HD11 LEU A 71 8.698 2.220 -5.530 1.00 11.03 H new ATOM 0 HD12 LEU A 71 8.344 3.271 -4.138 1.00 11.03 H new ATOM 0 HD13 LEU A 71 7.039 2.326 -4.894 1.00 11.03 H new ATOM 0 HD21 LEU A 71 8.008 2.859 -7.811 1.00 20.41 H new ATOM 0 HD22 LEU A 71 6.298 2.984 -7.333 1.00 20.41 H new ATOM 0 HD23 LEU A 71 7.107 4.364 -8.113 1.00 20.41 H new ATOM 1182 N VAL A 72 4.077 5.803 -6.916 1.00 52.10 N ATOM 1183 CA VAL A 72 2.973 5.502 -7.838 1.00 72.15 C ATOM 1184 C VAL A 72 2.346 6.787 -8.456 1.00 51.22 C ATOM 1185 O VAL A 72 1.942 6.792 -9.629 1.00 63.54 O ATOM 1186 CB VAL A 72 1.881 4.653 -7.100 1.00 41.41 C ATOM 1187 CG1 VAL A 72 0.742 4.288 -8.059 1.00 54.34 C ATOM 1188 CG2 VAL A 72 2.502 3.376 -6.458 1.00 45.15 C ATOM 0 H VAL A 72 3.830 5.669 -5.935 1.00 52.10 H new ATOM 0 HA VAL A 72 3.384 4.925 -8.667 1.00 72.15 H new ATOM 0 HB VAL A 72 1.467 5.260 -6.295 1.00 41.41 H new ATOM 0 HG11 VAL A 72 -0.006 3.699 -7.528 1.00 54.34 H new ATOM 0 HG12 VAL A 72 0.282 5.199 -8.441 1.00 54.34 H new ATOM 0 HG13 VAL A 72 1.139 3.706 -8.891 1.00 54.34 H new ATOM 0 HG21 VAL A 72 1.722 2.806 -5.953 1.00 45.15 H new ATOM 0 HG22 VAL A 72 2.954 2.761 -7.236 1.00 45.15 H new ATOM 0 HG23 VAL A 72 3.265 3.666 -5.735 1.00 45.15 H new ATOM 1198 N ASP A 73 2.282 7.876 -7.659 1.00 65.43 N ATOM 1199 CA ASP A 73 1.774 9.189 -8.136 1.00 44.33 C ATOM 1200 C ASP A 73 2.698 9.773 -9.242 1.00 14.22 C ATOM 1201 O ASP A 73 2.233 10.482 -10.136 1.00 23.30 O ATOM 1202 CB ASP A 73 1.632 10.184 -6.957 1.00 32.14 C ATOM 1203 CG ASP A 73 0.841 11.449 -7.321 1.00 10.04 C ATOM 1204 OD1 ASP A 73 -0.395 11.359 -7.442 1.00 43.40 O ATOM 1205 OD2 ASP A 73 1.445 12.536 -7.490 1.00 21.22 O ATOM 0 H ASP A 73 2.575 7.876 -6.682 1.00 65.43 H new ATOM 0 HA ASP A 73 0.786 9.032 -8.570 1.00 44.33 H new ATOM 0 HB2 ASP A 73 1.138 9.682 -6.125 1.00 32.14 H new ATOM 0 HB3 ASP A 73 2.625 10.472 -6.612 1.00 32.14 H new ATOM 1210 N LYS A 74 4.007 9.456 -9.167 1.00 64.50 N ATOM 1211 CA LYS A 74 4.979 9.771 -10.237 1.00 64.33 C ATOM 1212 C LYS A 74 4.684 8.949 -11.514 1.00 31.53 C ATOM 1213 O LYS A 74 4.653 9.509 -12.617 1.00 64.55 O ATOM 1214 CB LYS A 74 6.431 9.504 -9.764 1.00 71.40 C ATOM 1215 CG LYS A 74 7.011 10.566 -8.801 1.00 52.51 C ATOM 1216 CD LYS A 74 8.508 10.332 -8.497 1.00 64.55 C ATOM 1217 CE LYS A 74 8.799 8.947 -7.881 1.00 2.35 C ATOM 1218 NZ LYS A 74 10.253 8.703 -7.740 1.00 42.23 N ATOM 0 H LYS A 74 4.420 8.976 -8.367 1.00 64.50 H new ATOM 0 HA LYS A 74 4.876 10.830 -10.472 1.00 64.33 H new ATOM 0 HB2 LYS A 74 6.464 8.532 -9.271 1.00 71.40 H new ATOM 0 HB3 LYS A 74 7.076 9.439 -10.640 1.00 71.40 H new ATOM 0 HG2 LYS A 74 6.882 11.557 -9.237 1.00 52.51 H new ATOM 0 HG3 LYS A 74 6.447 10.553 -7.868 1.00 52.51 H new ATOM 0 HD2 LYS A 74 9.079 10.439 -9.419 1.00 64.55 H new ATOM 0 HD3 LYS A 74 8.858 11.106 -7.814 1.00 64.55 H new ATOM 0 HE2 LYS A 74 8.322 8.876 -6.903 1.00 2.35 H new ATOM 0 HE3 LYS A 74 8.359 8.171 -8.507 1.00 2.35 H new ATOM 0 HZ1 LYS A 74 10.408 7.763 -7.323 1.00 42.23 H new ATOM 0 HZ2 LYS A 74 10.704 8.745 -8.676 1.00 42.23 H new ATOM 0 HZ3 LYS A 74 10.669 9.429 -7.122 1.00 42.23 H new ATOM 1232 N MET A 75 4.451 7.623 -11.334 1.00 55.33 N ATOM 1233 CA MET A 75 4.165 6.666 -12.442 1.00 22.41 C ATOM 1234 C MET A 75 2.995 7.153 -13.321 1.00 55.20 C ATOM 1235 O MET A 75 3.038 7.030 -14.541 1.00 12.51 O ATOM 1236 CB MET A 75 3.797 5.274 -11.867 1.00 52.13 C ATOM 1237 CG MET A 75 4.925 4.526 -11.157 1.00 54.30 C ATOM 1238 SD MET A 75 4.286 3.042 -10.351 1.00 11.45 S ATOM 1239 CE MET A 75 5.729 1.997 -10.232 1.00 60.04 C ATOM 0 H MET A 75 4.456 7.183 -10.414 1.00 55.33 H new ATOM 0 HA MET A 75 5.066 6.599 -13.051 1.00 22.41 H new ATOM 0 HB2 MET A 75 2.972 5.399 -11.166 1.00 52.13 H new ATOM 0 HB3 MET A 75 3.431 4.651 -12.683 1.00 52.13 H new ATOM 0 HG2 MET A 75 5.698 4.253 -11.876 1.00 54.30 H new ATOM 0 HG3 MET A 75 5.392 5.176 -10.418 1.00 54.30 H new ATOM 0 HE1 MET A 75 5.516 1.156 -9.572 1.00 60.04 H new ATOM 0 HE2 MET A 75 5.991 1.624 -11.222 1.00 60.04 H new ATOM 0 HE3 MET A 75 6.563 2.572 -9.829 1.00 60.04 H new ATOM 1249 N LEU A 76 1.980 7.734 -12.653 1.00 2.02 N ATOM 1250 CA LEU A 76 0.745 8.274 -13.277 1.00 42.24 C ATOM 1251 C LEU A 76 1.041 9.312 -14.410 1.00 65.54 C ATOM 1252 O LEU A 76 0.230 9.514 -15.320 1.00 31.54 O ATOM 1253 CB LEU A 76 -0.113 8.936 -12.161 1.00 64.34 C ATOM 1254 CG LEU A 76 -1.634 9.133 -12.459 1.00 55.12 C ATOM 1255 CD1 LEU A 76 -2.339 7.771 -12.679 1.00 72.34 C ATOM 1256 CD2 LEU A 76 -2.309 9.941 -11.325 1.00 41.44 C ATOM 0 H LEU A 76 1.991 7.846 -11.639 1.00 2.02 H new ATOM 0 HA LEU A 76 0.211 7.448 -13.748 1.00 42.24 H new ATOM 0 HB2 LEU A 76 -0.020 8.332 -11.259 1.00 64.34 H new ATOM 0 HB3 LEU A 76 0.317 9.912 -11.937 1.00 64.34 H new ATOM 0 HG LEU A 76 -1.731 9.704 -13.383 1.00 55.12 H new ATOM 0 HD11 LEU A 76 -3.396 7.938 -12.884 1.00 72.34 H new ATOM 0 HD12 LEU A 76 -1.882 7.257 -13.524 1.00 72.34 H new ATOM 0 HD13 LEU A 76 -2.236 7.159 -11.783 1.00 72.34 H new ATOM 0 HD21 LEU A 76 -3.368 10.068 -11.550 1.00 41.44 H new ATOM 0 HD22 LEU A 76 -2.200 9.405 -10.382 1.00 41.44 H new ATOM 0 HD23 LEU A 76 -1.835 10.919 -11.243 1.00 41.44 H new ATOM 1268 N ASN A 77 2.214 9.964 -14.320 1.00 4.14 N ATOM 1269 CA ASN A 77 2.670 11.001 -15.274 1.00 33.34 C ATOM 1270 C ASN A 77 3.626 10.412 -16.346 1.00 73.01 C ATOM 1271 O ASN A 77 4.401 9.489 -16.068 1.00 72.01 O ATOM 1272 CB ASN A 77 3.375 12.130 -14.488 1.00 13.15 C ATOM 1273 CG ASN A 77 2.455 12.786 -13.459 1.00 14.02 C ATOM 1274 OD1 ASN A 77 1.793 13.776 -13.740 1.00 41.41 O ATOM 1275 ND2 ASN A 77 2.378 12.220 -12.271 1.00 54.22 N ATOM 0 H ASN A 77 2.885 9.785 -13.573 1.00 4.14 H new ATOM 0 HA ASN A 77 1.801 11.398 -15.799 1.00 33.34 H new ATOM 0 HB2 ASN A 77 4.251 11.724 -13.982 1.00 13.15 H new ATOM 0 HB3 ASN A 77 3.732 12.887 -15.186 1.00 13.15 H new ATOM 0 HD21 ASN A 77 1.756 12.607 -11.561 1.00 54.22 H new ATOM 0 HD22 ASN A 77 2.940 11.395 -12.062 1.00 54.22 H new ATOM 1282 N SER A 78 3.582 11.004 -17.559 1.00 32.30 N ATOM 1283 CA SER A 78 4.353 10.548 -18.751 1.00 12.40 C ATOM 1284 C SER A 78 5.883 10.712 -18.582 1.00 71.10 C ATOM 1285 O SER A 78 6.662 10.080 -19.306 1.00 61.53 O ATOM 1286 CB SER A 78 3.886 11.341 -19.996 1.00 40.12 C ATOM 1287 OG SER A 78 2.498 11.156 -20.238 1.00 21.53 O ATOM 0 H SER A 78 3.004 11.823 -17.747 1.00 32.30 H new ATOM 0 HA SER A 78 4.157 9.482 -18.871 1.00 12.40 H new ATOM 0 HB2 SER A 78 4.094 12.401 -19.853 1.00 40.12 H new ATOM 0 HB3 SER A 78 4.455 11.020 -20.868 1.00 40.12 H new ATOM 0 HG SER A 78 2.232 11.670 -21.029 1.00 21.53 H new ATOM 1293 N GLU A 79 6.298 11.550 -17.615 1.00 51.31 N ATOM 1294 CA GLU A 79 7.726 11.843 -17.351 1.00 41.30 C ATOM 1295 C GLU A 79 8.453 10.645 -16.690 1.00 42.23 C ATOM 1296 O GLU A 79 9.681 10.541 -16.749 1.00 41.54 O ATOM 1297 CB GLU A 79 7.840 13.111 -16.455 1.00 33.15 C ATOM 1298 CG GLU A 79 7.082 13.026 -15.110 1.00 5.21 C ATOM 1299 CD GLU A 79 7.209 14.292 -14.249 1.00 42.41 C ATOM 1300 OE1 GLU A 79 8.232 14.443 -13.542 1.00 42.44 O ATOM 1301 OE2 GLU A 79 6.294 15.145 -14.280 1.00 51.34 O ATOM 0 H GLU A 79 5.658 12.044 -16.994 1.00 51.31 H new ATOM 0 HA GLU A 79 8.215 12.025 -18.308 1.00 41.30 H new ATOM 0 HB2 GLU A 79 8.894 13.300 -16.251 1.00 33.15 H new ATOM 0 HB3 GLU A 79 7.465 13.968 -17.014 1.00 33.15 H new ATOM 0 HG2 GLU A 79 6.027 12.837 -15.309 1.00 5.21 H new ATOM 0 HG3 GLU A 79 7.458 12.173 -14.544 1.00 5.21 H new ATOM 1308 N ILE A 80 7.674 9.744 -16.070 1.00 14.41 N ATOM 1309 CA ILE A 80 8.191 8.606 -15.283 1.00 11.42 C ATOM 1310 C ILE A 80 7.858 7.262 -15.968 1.00 4.52 C ATOM 1311 O ILE A 80 6.692 6.975 -16.270 1.00 74.13 O ATOM 1312 CB ILE A 80 7.577 8.644 -13.839 1.00 44.13 C ATOM 1313 CG1 ILE A 80 7.895 10.008 -13.143 1.00 4.44 C ATOM 1314 CG2 ILE A 80 8.041 7.445 -12.967 1.00 52.04 C ATOM 1315 CD1 ILE A 80 9.351 10.227 -12.761 1.00 44.34 C ATOM 0 H ILE A 80 6.655 9.783 -16.100 1.00 14.41 H new ATOM 0 HA ILE A 80 9.276 8.691 -15.219 1.00 11.42 H new ATOM 0 HB ILE A 80 6.496 8.552 -13.944 1.00 44.13 H new ATOM 0 HG12 ILE A 80 7.587 10.815 -13.808 1.00 4.44 H new ATOM 0 HG13 ILE A 80 7.286 10.087 -12.242 1.00 4.44 H new ATOM 0 HG21 ILE A 80 7.589 7.518 -11.978 1.00 52.04 H new ATOM 0 HG22 ILE A 80 7.734 6.512 -13.439 1.00 52.04 H new ATOM 0 HG23 ILE A 80 9.127 7.463 -12.872 1.00 52.04 H new ATOM 0 HD11 ILE A 80 9.460 11.202 -12.286 1.00 44.34 H new ATOM 0 HD12 ILE A 80 9.666 9.448 -12.067 1.00 44.34 H new ATOM 0 HD13 ILE A 80 9.972 10.188 -13.656 1.00 44.34 H new ATOM 1327 N LYS A 81 8.901 6.451 -16.217 1.00 1.42 N ATOM 1328 CA LYS A 81 8.765 5.105 -16.803 1.00 61.44 C ATOM 1329 C LYS A 81 8.593 4.044 -15.695 1.00 35.50 C ATOM 1330 O LYS A 81 9.318 4.045 -14.688 1.00 41.42 O ATOM 1331 CB LYS A 81 9.990 4.744 -17.702 1.00 62.31 C ATOM 1332 CG LYS A 81 10.033 5.446 -19.086 1.00 14.22 C ATOM 1333 CD LYS A 81 10.240 6.980 -19.014 1.00 13.55 C ATOM 1334 CE LYS A 81 10.280 7.630 -20.406 1.00 70.21 C ATOM 1335 NZ LYS A 81 10.484 9.094 -20.324 1.00 34.41 N ATOM 0 H LYS A 81 9.867 6.712 -16.017 1.00 1.42 H new ATOM 0 HA LYS A 81 7.874 5.111 -17.431 1.00 61.44 H new ATOM 0 HB2 LYS A 81 10.902 4.992 -17.160 1.00 62.31 H new ATOM 0 HB3 LYS A 81 9.997 3.666 -17.861 1.00 62.31 H new ATOM 0 HG2 LYS A 81 10.838 5.009 -19.677 1.00 14.22 H new ATOM 0 HG3 LYS A 81 9.102 5.241 -19.614 1.00 14.22 H new ATOM 0 HD2 LYS A 81 9.435 7.426 -18.430 1.00 13.55 H new ATOM 0 HD3 LYS A 81 11.171 7.194 -18.489 1.00 13.55 H new ATOM 0 HE2 LYS A 81 11.083 7.184 -20.993 1.00 70.21 H new ATOM 0 HE3 LYS A 81 9.348 7.422 -20.931 1.00 70.21 H new ATOM 0 HZ1 LYS A 81 10.505 9.496 -21.283 1.00 34.41 H new ATOM 0 HZ2 LYS A 81 9.705 9.524 -19.786 1.00 34.41 H new ATOM 0 HZ3 LYS A 81 11.386 9.293 -19.845 1.00 34.41 H new ATOM 1349 N ILE A 82 7.629 3.139 -15.905 1.00 21.12 N ATOM 1350 CA ILE A 82 7.332 2.045 -14.973 1.00 3.21 C ATOM 1351 C ILE A 82 8.151 0.815 -15.387 1.00 42.32 C ATOM 1352 O ILE A 82 7.765 0.073 -16.308 1.00 14.42 O ATOM 1353 CB ILE A 82 5.787 1.675 -14.914 1.00 51.23 C ATOM 1354 CG1 ILE A 82 4.874 2.928 -14.648 1.00 4.50 C ATOM 1355 CG2 ILE A 82 5.533 0.587 -13.841 1.00 35.33 C ATOM 1356 CD1 ILE A 82 4.670 3.852 -15.838 1.00 62.04 C ATOM 0 H ILE A 82 7.030 3.145 -16.731 1.00 21.12 H new ATOM 0 HA ILE A 82 7.604 2.378 -13.972 1.00 3.21 H new ATOM 0 HB ILE A 82 5.516 1.286 -15.896 1.00 51.23 H new ATOM 0 HG12 ILE A 82 3.898 2.580 -14.309 1.00 4.50 H new ATOM 0 HG13 ILE A 82 5.308 3.505 -13.832 1.00 4.50 H new ATOM 0 HG21 ILE A 82 4.471 0.345 -13.813 1.00 35.33 H new ATOM 0 HG22 ILE A 82 6.103 -0.308 -14.089 1.00 35.33 H new ATOM 0 HG23 ILE A 82 5.846 0.958 -12.865 1.00 35.33 H new ATOM 0 HD11 ILE A 82 4.026 4.682 -15.548 1.00 62.04 H new ATOM 0 HD12 ILE A 82 5.634 4.238 -16.168 1.00 62.04 H new ATOM 0 HD13 ILE A 82 4.203 3.298 -16.653 1.00 62.04 H new ATOM 1368 N THR A 83 9.323 0.647 -14.755 1.00 54.44 N ATOM 1369 CA THR A 83 10.197 -0.506 -15.021 1.00 70.23 C ATOM 1370 C THR A 83 9.707 -1.746 -14.244 1.00 22.43 C ATOM 1371 O THR A 83 9.048 -1.612 -13.201 1.00 30.40 O ATOM 1372 CB THR A 83 11.696 -0.209 -14.667 1.00 72.30 C ATOM 1373 OG1 THR A 83 11.857 0.016 -13.264 1.00 31.11 O ATOM 1374 CG2 THR A 83 12.229 1.011 -15.442 1.00 23.44 C ATOM 0 H THR A 83 9.687 1.295 -14.056 1.00 54.44 H new ATOM 0 HA THR A 83 10.145 -0.705 -16.091 1.00 70.23 H new ATOM 0 HB THR A 83 12.271 -1.088 -14.959 1.00 72.30 H new ATOM 0 HG1 THR A 83 12.800 0.197 -13.068 1.00 31.11 H new ATOM 0 HG21 THR A 83 13.270 1.187 -15.172 1.00 23.44 H new ATOM 0 HG22 THR A 83 12.159 0.821 -16.513 1.00 23.44 H new ATOM 0 HG23 THR A 83 11.635 1.890 -15.190 1.00 23.44 H new ATOM 1382 N SER A 84 10.027 -2.945 -14.765 1.00 12.24 N ATOM 1383 CA SER A 84 9.639 -4.242 -14.144 1.00 61.34 C ATOM 1384 C SER A 84 10.129 -4.354 -12.672 1.00 31.45 C ATOM 1385 O SER A 84 9.397 -4.818 -11.789 1.00 50.20 O ATOM 1386 CB SER A 84 10.194 -5.415 -14.987 1.00 21.33 C ATOM 1387 OG SER A 84 9.866 -6.676 -14.424 1.00 23.43 O ATOM 0 H SER A 84 10.561 -3.051 -15.627 1.00 12.24 H new ATOM 0 HA SER A 84 8.550 -4.290 -14.126 1.00 61.34 H new ATOM 0 HB2 SER A 84 9.794 -5.355 -15.999 1.00 21.33 H new ATOM 0 HB3 SER A 84 11.277 -5.324 -15.066 1.00 21.33 H new ATOM 0 HG SER A 84 10.233 -7.390 -14.986 1.00 23.43 H new ATOM 1393 N ASP A 85 11.372 -3.899 -12.432 1.00 23.32 N ATOM 1394 CA ASP A 85 11.986 -3.859 -11.082 1.00 74.25 C ATOM 1395 C ASP A 85 11.462 -2.689 -10.211 1.00 74.14 C ATOM 1396 O ASP A 85 11.674 -2.681 -8.995 1.00 45.41 O ATOM 1397 CB ASP A 85 13.518 -3.787 -11.197 1.00 61.53 C ATOM 1398 CG ASP A 85 14.118 -5.035 -11.865 1.00 54.13 C ATOM 1399 OD1 ASP A 85 14.211 -5.075 -13.112 1.00 11.14 O ATOM 1400 OD2 ASP A 85 14.473 -5.994 -11.147 1.00 24.41 O ATOM 0 H ASP A 85 11.985 -3.547 -13.167 1.00 23.32 H new ATOM 0 HA ASP A 85 11.695 -4.781 -10.579 1.00 74.25 H new ATOM 0 HB2 ASP A 85 13.795 -2.903 -11.771 1.00 61.53 H new ATOM 0 HB3 ASP A 85 13.949 -3.669 -10.203 1.00 61.53 H new ATOM 1405 N LEU A 86 10.836 -1.676 -10.822 1.00 13.55 N ATOM 1406 CA LEU A 86 10.232 -0.565 -10.051 1.00 4.24 C ATOM 1407 C LEU A 86 8.922 -1.007 -9.368 1.00 54.41 C ATOM 1408 O LEU A 86 8.616 -0.592 -8.245 1.00 0.21 O ATOM 1409 CB LEU A 86 9.962 0.670 -10.939 1.00 12.25 C ATOM 1410 CG LEU A 86 9.836 2.003 -10.156 1.00 71.25 C ATOM 1411 CD1 LEU A 86 11.228 2.498 -9.696 1.00 1.41 C ATOM 1412 CD2 LEU A 86 9.089 3.074 -10.978 1.00 43.34 C ATOM 0 H LEU A 86 10.731 -1.596 -11.833 1.00 13.55 H new ATOM 0 HA LEU A 86 10.956 -0.286 -9.285 1.00 4.24 H new ATOM 0 HB2 LEU A 86 10.769 0.764 -11.666 1.00 12.25 H new ATOM 0 HB3 LEU A 86 9.043 0.504 -11.502 1.00 12.25 H new ATOM 0 HG LEU A 86 9.238 1.817 -9.264 1.00 71.25 H new ATOM 0 HD11 LEU A 86 11.119 3.434 -9.149 1.00 1.41 H new ATOM 0 HD12 LEU A 86 11.684 1.750 -9.048 1.00 1.41 H new ATOM 0 HD13 LEU A 86 11.863 2.659 -10.567 1.00 1.41 H new ATOM 0 HD21 LEU A 86 9.019 3.994 -10.398 1.00 43.34 H new ATOM 0 HD22 LEU A 86 9.633 3.268 -11.903 1.00 43.34 H new ATOM 0 HD23 LEU A 86 8.086 2.717 -11.215 1.00 43.34 H new ATOM 1424 N ILE A 87 8.163 -1.856 -10.075 1.00 62.30 N ATOM 1425 CA ILE A 87 6.957 -2.530 -9.534 1.00 35.22 C ATOM 1426 C ILE A 87 7.356 -3.426 -8.325 1.00 25.13 C ATOM 1427 O ILE A 87 6.589 -3.606 -7.375 1.00 53.25 O ATOM 1428 CB ILE A 87 6.273 -3.420 -10.642 1.00 22.01 C ATOM 1429 CG1 ILE A 87 6.112 -2.627 -11.984 1.00 23.35 C ATOM 1430 CG2 ILE A 87 4.904 -3.975 -10.166 1.00 24.51 C ATOM 1431 CD1 ILE A 87 5.730 -3.474 -13.196 1.00 32.04 C ATOM 0 H ILE A 87 8.363 -2.101 -11.045 1.00 62.30 H new ATOM 0 HA ILE A 87 6.249 -1.767 -9.210 1.00 35.22 H new ATOM 0 HB ILE A 87 6.930 -4.270 -10.824 1.00 22.01 H new ATOM 0 HG12 ILE A 87 5.353 -1.858 -11.844 1.00 23.35 H new ATOM 0 HG13 ILE A 87 7.049 -2.114 -12.200 1.00 23.35 H new ATOM 0 HG21 ILE A 87 4.463 -4.583 -10.956 1.00 24.51 H new ATOM 0 HG22 ILE A 87 5.049 -4.587 -9.276 1.00 24.51 H new ATOM 0 HG23 ILE A 87 4.237 -3.146 -9.932 1.00 24.51 H new ATOM 0 HD11 ILE A 87 5.643 -2.834 -14.074 1.00 32.04 H new ATOM 0 HD12 ILE A 87 6.499 -4.227 -13.370 1.00 32.04 H new ATOM 0 HD13 ILE A 87 4.775 -3.966 -13.010 1.00 32.04 H new ATOM 1443 N ASP A 88 8.597 -3.960 -8.400 1.00 23.32 N ATOM 1444 CA ASP A 88 9.211 -4.792 -7.342 1.00 70.11 C ATOM 1445 C ASP A 88 9.461 -3.966 -6.052 1.00 54.24 C ATOM 1446 O ASP A 88 9.367 -4.499 -4.938 1.00 31.33 O ATOM 1447 CB ASP A 88 10.541 -5.387 -7.872 1.00 53.33 C ATOM 1448 CG ASP A 88 11.285 -6.271 -6.853 1.00 62.43 C ATOM 1449 OD1 ASP A 88 10.951 -7.459 -6.730 1.00 51.25 O ATOM 1450 OD2 ASP A 88 12.210 -5.769 -6.168 1.00 65.24 O ATOM 0 H ASP A 88 9.206 -3.823 -9.207 1.00 23.32 H new ATOM 0 HA ASP A 88 8.525 -5.599 -7.085 1.00 70.11 H new ATOM 0 HB2 ASP A 88 10.332 -5.977 -8.765 1.00 53.33 H new ATOM 0 HB3 ASP A 88 11.196 -4.571 -8.175 1.00 53.33 H new ATOM 1455 N LYS A 89 9.789 -2.662 -6.216 1.00 11.22 N ATOM 1456 CA LYS A 89 9.990 -1.739 -5.077 1.00 2.31 C ATOM 1457 C LYS A 89 8.664 -1.512 -4.314 1.00 51.22 C ATOM 1458 O LYS A 89 8.643 -1.492 -3.079 1.00 14.31 O ATOM 1459 CB LYS A 89 10.588 -0.394 -5.568 1.00 21.20 C ATOM 1460 CG LYS A 89 10.918 0.615 -4.435 1.00 2.53 C ATOM 1461 CD LYS A 89 11.793 1.815 -4.904 1.00 53.41 C ATOM 1462 CE LYS A 89 13.309 1.519 -4.876 1.00 22.45 C ATOM 1463 NZ LYS A 89 13.704 0.379 -5.740 1.00 2.50 N ATOM 0 H LYS A 89 9.920 -2.226 -7.129 1.00 11.22 H new ATOM 0 HA LYS A 89 10.699 -2.194 -4.385 1.00 2.31 H new ATOM 0 HB2 LYS A 89 11.498 -0.600 -6.131 1.00 21.20 H new ATOM 0 HB3 LYS A 89 9.885 0.071 -6.258 1.00 21.20 H new ATOM 0 HG2 LYS A 89 9.986 0.997 -4.017 1.00 2.53 H new ATOM 0 HG3 LYS A 89 11.436 0.090 -3.632 1.00 2.53 H new ATOM 0 HD2 LYS A 89 11.503 2.092 -5.918 1.00 53.41 H new ATOM 0 HD3 LYS A 89 11.587 2.676 -4.268 1.00 53.41 H new ATOM 0 HE2 LYS A 89 13.851 2.410 -5.193 1.00 22.45 H new ATOM 0 HE3 LYS A 89 13.612 1.309 -3.850 1.00 22.45 H new ATOM 0 HZ1 LYS A 89 14.735 0.389 -5.879 1.00 2.50 H new ATOM 0 HZ2 LYS A 89 13.425 -0.514 -5.286 1.00 2.50 H new ATOM 0 HZ3 LYS A 89 13.230 0.462 -6.662 1.00 2.50 H new ATOM 1477 N VAL A 90 7.565 -1.381 -5.076 1.00 43.31 N ATOM 1478 CA VAL A 90 6.192 -1.271 -4.522 1.00 54.12 C ATOM 1479 C VAL A 90 5.796 -2.585 -3.789 1.00 35.53 C ATOM 1480 O VAL A 90 5.244 -2.557 -2.685 1.00 63.22 O ATOM 1481 CB VAL A 90 5.143 -0.987 -5.666 1.00 55.03 C ATOM 1482 CG1 VAL A 90 3.738 -0.677 -5.091 1.00 31.10 C ATOM 1483 CG2 VAL A 90 5.627 0.139 -6.616 1.00 51.10 C ATOM 0 H VAL A 90 7.597 -1.348 -6.095 1.00 43.31 H new ATOM 0 HA VAL A 90 6.186 -0.440 -3.817 1.00 54.12 H new ATOM 0 HB VAL A 90 5.057 -1.899 -6.257 1.00 55.03 H new ATOM 0 HG11 VAL A 90 3.044 -0.487 -5.910 1.00 31.10 H new ATOM 0 HG12 VAL A 90 3.387 -1.529 -4.508 1.00 31.10 H new ATOM 0 HG13 VAL A 90 3.793 0.203 -4.450 1.00 31.10 H new ATOM 0 HG21 VAL A 90 4.879 0.307 -7.391 1.00 51.10 H new ATOM 0 HG22 VAL A 90 5.773 1.057 -6.047 1.00 51.10 H new ATOM 0 HG23 VAL A 90 6.569 -0.155 -7.078 1.00 51.10 H new ATOM 1493 N LYS A 91 6.130 -3.721 -4.438 1.00 60.05 N ATOM 1494 CA LYS A 91 5.839 -5.095 -3.950 1.00 12.41 C ATOM 1495 C LYS A 91 6.451 -5.353 -2.555 1.00 54.44 C ATOM 1496 O LYS A 91 5.750 -5.759 -1.637 1.00 24.53 O ATOM 1497 CB LYS A 91 6.378 -6.162 -4.982 1.00 24.23 C ATOM 1498 CG LYS A 91 5.296 -6.994 -5.698 1.00 44.00 C ATOM 1499 CD LYS A 91 4.523 -7.934 -4.737 1.00 31.24 C ATOM 1500 CE LYS A 91 3.447 -8.755 -5.464 1.00 43.32 C ATOM 1501 NZ LYS A 91 4.013 -9.580 -6.562 1.00 54.42 N ATOM 0 H LYS A 91 6.619 -3.713 -5.333 1.00 60.05 H new ATOM 0 HA LYS A 91 4.757 -5.189 -3.859 1.00 12.41 H new ATOM 0 HB2 LYS A 91 6.973 -5.646 -5.735 1.00 24.23 H new ATOM 0 HB3 LYS A 91 7.049 -6.843 -4.458 1.00 24.23 H new ATOM 0 HG2 LYS A 91 4.591 -6.321 -6.185 1.00 44.00 H new ATOM 0 HG3 LYS A 91 5.763 -7.589 -6.483 1.00 44.00 H new ATOM 0 HD2 LYS A 91 5.226 -8.610 -4.251 1.00 31.24 H new ATOM 0 HD3 LYS A 91 4.055 -7.341 -3.951 1.00 31.24 H new ATOM 0 HE2 LYS A 91 2.943 -9.404 -4.748 1.00 43.32 H new ATOM 0 HE3 LYS A 91 2.692 -8.082 -5.870 1.00 43.32 H new ATOM 0 HZ1 LYS A 91 3.552 -9.327 -7.459 1.00 54.42 H new ATOM 0 HZ2 LYS A 91 5.035 -9.404 -6.637 1.00 54.42 H new ATOM 0 HZ3 LYS A 91 3.848 -10.587 -6.360 1.00 54.42 H new ATOM 1515 N LYS A 92 7.759 -5.069 -2.430 1.00 24.42 N ATOM 1516 CA LYS A 92 8.554 -5.334 -1.210 1.00 73.11 C ATOM 1517 C LYS A 92 8.059 -4.510 0.007 1.00 42.43 C ATOM 1518 O LYS A 92 8.053 -4.985 1.145 1.00 11.50 O ATOM 1519 CB LYS A 92 10.039 -5.021 -1.508 1.00 42.42 C ATOM 1520 CG LYS A 92 11.010 -5.317 -0.350 1.00 13.12 C ATOM 1521 CD LYS A 92 11.268 -6.829 -0.155 1.00 52.15 C ATOM 1522 CE LYS A 92 12.254 -7.109 0.989 1.00 63.22 C ATOM 1523 NZ LYS A 92 12.536 -8.557 1.145 1.00 73.53 N ATOM 0 H LYS A 92 8.304 -4.644 -3.180 1.00 24.42 H new ATOM 0 HA LYS A 92 8.435 -6.384 -0.943 1.00 73.11 H new ATOM 0 HB2 LYS A 92 10.349 -5.598 -2.379 1.00 42.42 H new ATOM 0 HB3 LYS A 92 10.126 -3.968 -1.776 1.00 42.42 H new ATOM 0 HG2 LYS A 92 11.958 -4.813 -0.539 1.00 13.12 H new ATOM 0 HG3 LYS A 92 10.606 -4.900 0.572 1.00 13.12 H new ATOM 0 HD2 LYS A 92 10.324 -7.333 0.051 1.00 52.15 H new ATOM 0 HD3 LYS A 92 11.659 -7.251 -1.081 1.00 52.15 H new ATOM 0 HE2 LYS A 92 13.187 -6.577 0.801 1.00 63.22 H new ATOM 0 HE3 LYS A 92 11.847 -6.718 1.921 1.00 63.22 H new ATOM 0 HZ1 LYS A 92 13.206 -8.698 1.928 1.00 73.53 H new ATOM 0 HZ2 LYS A 92 11.651 -9.063 1.351 1.00 73.53 H new ATOM 0 HZ3 LYS A 92 12.949 -8.927 0.265 1.00 73.53 H new ATOM 1537 N LYS A 93 7.662 -3.264 -0.259 1.00 33.32 N ATOM 1538 CA LYS A 93 7.125 -2.341 0.769 1.00 74.11 C ATOM 1539 C LYS A 93 5.666 -2.674 1.154 1.00 53.43 C ATOM 1540 O LYS A 93 5.239 -2.407 2.280 1.00 71.23 O ATOM 1541 CB LYS A 93 7.240 -0.898 0.257 1.00 12.20 C ATOM 1542 CG LYS A 93 8.691 -0.419 0.045 1.00 60.34 C ATOM 1543 CD LYS A 93 9.509 -0.372 1.356 1.00 1.41 C ATOM 1544 CE LYS A 93 10.977 0.017 1.117 1.00 23.12 C ATOM 1545 NZ LYS A 93 11.100 1.309 0.395 1.00 70.10 N ATOM 0 H LYS A 93 7.700 -2.856 -1.193 1.00 33.32 H new ATOM 0 HA LYS A 93 7.717 -2.460 1.677 1.00 74.11 H new ATOM 0 HB2 LYS A 93 6.700 -0.814 -0.686 1.00 12.20 H new ATOM 0 HB3 LYS A 93 6.749 -0.232 0.966 1.00 12.20 H new ATOM 0 HG2 LYS A 93 9.187 -1.083 -0.663 1.00 60.34 H new ATOM 0 HG3 LYS A 93 8.678 0.574 -0.405 1.00 60.34 H new ATOM 0 HD2 LYS A 93 9.053 0.344 2.040 1.00 1.41 H new ATOM 0 HD3 LYS A 93 9.469 -1.347 1.841 1.00 1.41 H new ATOM 0 HE2 LYS A 93 11.494 0.086 2.074 1.00 23.12 H new ATOM 0 HE3 LYS A 93 11.471 -0.767 0.543 1.00 23.12 H new ATOM 0 HZ1 LYS A 93 12.100 1.593 0.359 1.00 70.10 H new ATOM 0 HZ2 LYS A 93 10.735 1.202 -0.573 1.00 70.10 H new ATOM 0 HZ3 LYS A 93 10.551 2.039 0.893 1.00 70.10 H new ATOM 1559 N LEU A 94 4.926 -3.253 0.205 1.00 43.52 N ATOM 1560 CA LEU A 94 3.572 -3.797 0.437 1.00 2.33 C ATOM 1561 C LEU A 94 3.668 -5.075 1.325 1.00 45.31 C ATOM 1562 O LEU A 94 2.820 -5.312 2.195 1.00 41.32 O ATOM 1563 CB LEU A 94 2.907 -4.040 -0.961 1.00 32.14 C ATOM 1564 CG LEU A 94 1.445 -4.596 -1.033 1.00 73.40 C ATOM 1565 CD1 LEU A 94 1.402 -6.126 -0.914 1.00 33.54 C ATOM 1566 CD2 LEU A 94 0.525 -3.910 0.003 1.00 24.51 C ATOM 0 H LEU A 94 5.247 -3.362 -0.757 1.00 43.52 H new ATOM 0 HA LEU A 94 2.937 -3.102 0.987 1.00 2.33 H new ATOM 0 HB2 LEU A 94 2.923 -3.092 -1.499 1.00 32.14 H new ATOM 0 HB3 LEU A 94 3.546 -4.730 -1.511 1.00 32.14 H new ATOM 0 HG LEU A 94 1.058 -4.350 -2.022 1.00 73.40 H new ATOM 0 HD11 LEU A 94 0.368 -6.466 -0.969 1.00 33.54 H new ATOM 0 HD12 LEU A 94 1.974 -6.571 -1.728 1.00 33.54 H new ATOM 0 HD13 LEU A 94 1.833 -6.429 0.040 1.00 33.54 H new ATOM 0 HD21 LEU A 94 -0.482 -4.321 -0.076 1.00 24.51 H new ATOM 0 HD22 LEU A 94 0.912 -4.087 1.007 1.00 24.51 H new ATOM 0 HD23 LEU A 94 0.495 -2.838 -0.190 1.00 24.51 H new ATOM 1578 N ASP A 95 4.726 -5.877 1.089 1.00 41.15 N ATOM 1579 CA ASP A 95 5.108 -7.020 1.955 1.00 53.03 C ATOM 1580 C ASP A 95 5.422 -6.553 3.407 1.00 3.31 C ATOM 1581 O ASP A 95 5.043 -7.203 4.390 1.00 13.33 O ATOM 1582 CB ASP A 95 6.353 -7.731 1.346 1.00 21.14 C ATOM 1583 CG ASP A 95 6.022 -8.614 0.132 1.00 62.51 C ATOM 1584 OD1 ASP A 95 5.185 -9.528 0.273 1.00 13.41 O ATOM 1585 OD2 ASP A 95 6.605 -8.417 -0.958 1.00 61.45 O ATOM 0 H ASP A 95 5.346 -5.752 0.288 1.00 41.15 H new ATOM 0 HA ASP A 95 4.268 -7.713 2.003 1.00 53.03 H new ATOM 0 HB2 ASP A 95 7.083 -6.978 1.049 1.00 21.14 H new ATOM 0 HB3 ASP A 95 6.823 -8.345 2.114 1.00 21.14 H new ATOM 1590 N MET A 96 6.125 -5.410 3.503 1.00 31.43 N ATOM 1591 CA MET A 96 6.489 -4.747 4.780 1.00 14.52 C ATOM 1592 C MET A 96 5.242 -4.347 5.620 1.00 50.11 C ATOM 1593 O MET A 96 5.286 -4.418 6.851 1.00 13.11 O ATOM 1594 CB MET A 96 7.388 -3.514 4.457 1.00 20.33 C ATOM 1595 CG MET A 96 7.570 -2.477 5.580 1.00 71.03 C ATOM 1596 SD MET A 96 8.365 -3.142 7.061 1.00 21.52 S ATOM 1597 CE MET A 96 8.464 -1.671 8.089 1.00 64.44 C ATOM 0 H MET A 96 6.465 -4.908 2.683 1.00 31.43 H new ATOM 0 HA MET A 96 7.042 -5.453 5.400 1.00 14.52 H new ATOM 0 HB2 MET A 96 8.374 -3.878 4.167 1.00 20.33 H new ATOM 0 HB3 MET A 96 6.969 -3.005 3.589 1.00 20.33 H new ATOM 0 HG2 MET A 96 8.164 -1.645 5.202 1.00 71.03 H new ATOM 0 HG3 MET A 96 6.594 -2.074 5.852 1.00 71.03 H new ATOM 0 HE1 MET A 96 8.933 -1.923 9.040 1.00 64.44 H new ATOM 0 HE2 MET A 96 9.058 -0.911 7.581 1.00 64.44 H new ATOM 0 HE3 MET A 96 7.461 -1.286 8.270 1.00 64.44 H new ATOM 1607 N VAL A 97 4.137 -3.950 4.949 1.00 32.12 N ATOM 1608 CA VAL A 97 2.860 -3.583 5.635 1.00 75.13 C ATOM 1609 C VAL A 97 2.291 -4.793 6.433 1.00 72.01 C ATOM 1610 O VAL A 97 1.856 -4.648 7.588 1.00 30.44 O ATOM 1611 CB VAL A 97 1.768 -3.060 4.617 1.00 62.21 C ATOM 1612 CG1 VAL A 97 0.498 -2.542 5.350 1.00 41.40 C ATOM 1613 CG2 VAL A 97 2.342 -1.965 3.685 1.00 24.44 C ATOM 0 H VAL A 97 4.096 -3.873 3.933 1.00 32.12 H new ATOM 0 HA VAL A 97 3.096 -2.773 6.325 1.00 75.13 H new ATOM 0 HB VAL A 97 1.475 -3.911 4.002 1.00 62.21 H new ATOM 0 HG11 VAL A 97 -0.228 -2.192 4.616 1.00 41.40 H new ATOM 0 HG12 VAL A 97 0.061 -3.351 5.936 1.00 41.40 H new ATOM 0 HG13 VAL A 97 0.770 -1.720 6.012 1.00 41.40 H new ATOM 0 HG21 VAL A 97 1.565 -1.628 2.998 1.00 24.44 H new ATOM 0 HG22 VAL A 97 2.688 -1.122 4.284 1.00 24.44 H new ATOM 0 HG23 VAL A 97 3.177 -2.373 3.116 1.00 24.44 H new ATOM 1623 N THR A 98 2.334 -5.986 5.800 1.00 0.34 N ATOM 1624 CA THR A 98 1.926 -7.269 6.435 1.00 33.31 C ATOM 1625 C THR A 98 2.828 -7.606 7.647 1.00 43.42 C ATOM 1626 O THR A 98 2.342 -7.971 8.725 1.00 45.41 O ATOM 1627 CB THR A 98 1.998 -8.461 5.410 1.00 20.23 C ATOM 1628 OG1 THR A 98 1.315 -8.117 4.195 1.00 71.02 O ATOM 1629 CG2 THR A 98 1.390 -9.759 5.979 1.00 64.13 C ATOM 0 H THR A 98 2.651 -6.092 4.836 1.00 0.34 H new ATOM 0 HA THR A 98 0.897 -7.140 6.771 1.00 33.31 H new ATOM 0 HB THR A 98 3.054 -8.640 5.209 1.00 20.23 H new ATOM 0 HG1 THR A 98 1.369 -8.866 3.566 1.00 71.02 H new ATOM 0 HG21 THR A 98 1.463 -10.552 5.235 1.00 64.13 H new ATOM 0 HG22 THR A 98 1.934 -10.053 6.877 1.00 64.13 H new ATOM 0 HG23 THR A 98 0.342 -9.591 6.228 1.00 64.13 H new ATOM 1637 N ARG A 99 4.152 -7.452 7.444 1.00 63.44 N ATOM 1638 CA ARG A 99 5.184 -7.799 8.449 1.00 14.23 C ATOM 1639 C ARG A 99 5.082 -6.877 9.702 1.00 34.44 C ATOM 1640 O ARG A 99 5.277 -7.328 10.838 1.00 42.52 O ATOM 1641 CB ARG A 99 6.600 -7.726 7.777 1.00 14.13 C ATOM 1642 CG ARG A 99 7.734 -8.520 8.492 1.00 15.54 C ATOM 1643 CD ARG A 99 8.307 -7.832 9.752 1.00 13.02 C ATOM 1644 NE ARG A 99 8.985 -8.784 10.645 1.00 74.12 N ATOM 1645 CZ ARG A 99 8.413 -9.442 11.635 1.00 11.44 C ATOM 1646 NH1 ARG A 99 7.154 -9.271 11.919 1.00 3.22 N ATOM 1647 NH2 ARG A 99 9.107 -10.266 12.339 1.00 4.44 N ATOM 0 H ARG A 99 4.540 -7.082 6.576 1.00 63.44 H new ATOM 0 HA ARG A 99 5.020 -8.817 8.802 1.00 14.23 H new ATOM 0 HB2 ARG A 99 6.515 -8.093 6.754 1.00 14.13 H new ATOM 0 HB3 ARG A 99 6.898 -6.679 7.716 1.00 14.13 H new ATOM 0 HG2 ARG A 99 7.351 -9.501 8.773 1.00 15.54 H new ATOM 0 HG3 ARG A 99 8.546 -8.685 7.784 1.00 15.54 H new ATOM 0 HD2 ARG A 99 9.010 -7.055 9.452 1.00 13.02 H new ATOM 0 HD3 ARG A 99 7.500 -7.340 10.294 1.00 13.02 H new ATOM 0 HE ARG A 99 9.979 -8.949 10.486 1.00 74.12 H new ATOM 0 HH11 ARG A 99 6.592 -8.619 11.372 1.00 3.22 H new ATOM 0 HH12 ARG A 99 6.730 -9.789 12.688 1.00 3.22 H new ATOM 0 HH21 ARG A 99 10.095 -10.408 12.131 1.00 4.44 H new ATOM 0 HH22 ARG A 99 8.669 -10.777 13.105 1.00 4.44 H new ATOM 1661 N GLU A 100 4.762 -5.597 9.475 1.00 13.45 N ATOM 1662 CA GLU A 100 4.637 -4.583 10.544 1.00 20.22 C ATOM 1663 C GLU A 100 3.413 -4.863 11.447 1.00 13.45 C ATOM 1664 O GLU A 100 3.472 -4.698 12.670 1.00 52.14 O ATOM 1665 CB GLU A 100 4.536 -3.176 9.902 1.00 63.13 C ATOM 1666 CG GLU A 100 4.509 -1.999 10.901 1.00 42.52 C ATOM 1667 CD GLU A 100 5.737 -1.940 11.836 1.00 33.14 C ATOM 1668 OE1 GLU A 100 6.886 -1.946 11.337 1.00 71.52 O ATOM 1669 OE2 GLU A 100 5.565 -1.901 13.075 1.00 2.02 O ATOM 0 H GLU A 100 4.580 -5.228 8.542 1.00 13.45 H new ATOM 0 HA GLU A 100 5.522 -4.630 11.178 1.00 20.22 H new ATOM 0 HB2 GLU A 100 5.381 -3.040 9.228 1.00 63.13 H new ATOM 0 HB3 GLU A 100 3.633 -3.136 9.293 1.00 63.13 H new ATOM 0 HG2 GLU A 100 4.444 -1.064 10.344 1.00 42.52 H new ATOM 0 HG3 GLU A 100 3.606 -2.072 11.508 1.00 42.52 H new