USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 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: I 7 MET CE :methyl -147:sc= -13.2! (180deg=-11.2!) USER MOD Set 1.2: I 8 MET CE :methyl 154:sc= -5.69! (180deg=-5.64!) USER MOD Set 2.1: C 69 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 71 THR OG1 : rot 180:sc= 0.0596 USER MOD Set 3.1: C 13 THR OG1 : rot -103:sc= -2.19! USER MOD Set 3.2: C 16 GLN : amide:sc= -2.92 K(o=-6,f=-7.7!) USER MOD Set 3.3: C 85 MET CE :methyl -156:sc= -0.886 (180deg=-2.26!) USER MOD Single : C 5 TYR OH : rot 30:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.0056 K(o=-0.0056,f=-1.6!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= 0.725 K(o=0.72,f=-1.3) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 180:sc= 0 USER MOD Single : C 37 SER OG : rot 178:sc= -2.91! USER MOD Single : C 38 THR OG1 : rot -85:sc= -0.56! USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ -120:sc= 0.0766 (180deg=-0.206) USER MOD Single : C 45 MET CE :methyl -128:sc= -12.1! (180deg=-14.8!) USER MOD Single : C 47 MET CE :methyl -104:sc= -1.04 (180deg=-1.67) USER MOD Single : C 50 GLN : amide:sc= 0.492 K(o=0.49,f=-5.2!) USER MOD Single : C 51 ASN : amide:sc= -0.0879 X(o=-0.088,f=-0.024) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.324 USER MOD Single : C 58 GLN : amide:sc= -0.168 K(o=-0.17,f=-0.72) USER MOD Single : C 60 MET CE :methyl -142:sc= -0.59 (180deg=-1.67!) USER MOD Single : C 80 MET CE :methyl 162:sc= -0.363 (180deg=-1.7!) USER MOD Single : C 81 MET CE :methyl -162:sc= -0.115 (180deg=-0.935) USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : I 3 SER OG : rot -29:sc= 0.805 USER MOD Single : I 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 55.030 -12.325 13.927 1.00 0.00 N ATOM 45 CA ILE C 4 53.958 -11.414 13.424 1.00 0.00 C ATOM 46 C ILE C 4 54.243 -11.016 11.975 1.00 0.00 C ATOM 47 O ILE C 4 53.438 -11.232 11.092 1.00 0.00 O ATOM 48 CB ILE C 4 53.999 -10.189 14.340 1.00 0.00 C ATOM 49 CG1 ILE C 4 54.093 -10.642 15.800 1.00 0.00 C ATOM 50 CG2 ILE C 4 52.723 -9.368 14.145 1.00 0.00 C ATOM 51 CD1 ILE C 4 54.443 -9.445 16.686 1.00 0.00 C ATOM 0 HA ILE C 4 52.977 -11.889 13.437 1.00 0.00 H new ATOM 0 HB ILE C 4 54.869 -9.580 14.093 1.00 0.00 H new ATOM 0 HG12 ILE C 4 53.146 -11.078 16.118 1.00 0.00 H new ATOM 0 HG13 ILE C 4 54.852 -11.418 15.903 1.00 0.00 H new ATOM 0 HG21 ILE C 4 52.749 -8.494 14.796 1.00 0.00 H new ATOM 0 HG22 ILE C 4 52.654 -9.044 13.106 1.00 0.00 H new ATOM 0 HG23 ILE C 4 51.855 -9.980 14.393 1.00 0.00 H new ATOM 0 HD11 ILE C 4 54.510 -9.768 17.725 1.00 0.00 H new ATOM 0 HD12 ILE C 4 55.401 -9.029 16.373 1.00 0.00 H new ATOM 0 HD13 ILE C 4 53.668 -8.684 16.592 1.00 0.00 H new ATOM 63 N TYR C 5 55.385 -10.438 11.722 1.00 0.00 N ATOM 64 CA TYR C 5 55.721 -10.032 10.330 1.00 0.00 C ATOM 65 C TYR C 5 55.886 -11.273 9.447 1.00 0.00 C ATOM 66 O TYR C 5 55.220 -11.422 8.443 1.00 0.00 O ATOM 67 CB TYR C 5 57.043 -9.272 10.445 1.00 0.00 C ATOM 68 CG TYR C 5 56.788 -7.912 11.050 1.00 0.00 C ATOM 69 CD1 TYR C 5 56.745 -7.760 12.441 1.00 0.00 C ATOM 70 CD2 TYR C 5 56.590 -6.803 10.218 1.00 0.00 C ATOM 71 CE1 TYR C 5 56.507 -6.499 13.000 1.00 0.00 C ATOM 72 CE2 TYR C 5 56.352 -5.542 10.778 1.00 0.00 C ATOM 73 CZ TYR C 5 56.309 -5.390 12.169 1.00 0.00 C ATOM 74 OH TYR C 5 56.073 -4.147 12.721 1.00 0.00 O ATOM 0 H TYR C 5 56.099 -10.230 12.420 1.00 0.00 H new ATOM 0 HA TYR C 5 54.941 -9.420 9.877 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.744 -9.832 11.064 1.00 0.00 H new ATOM 0 HB3 TYR C 5 57.500 -9.165 9.461 1.00 0.00 H new ATOM 0 HD1 TYR C 5 56.895 -8.616 13.083 1.00 0.00 H new ATOM 0 HD2 TYR C 5 56.621 -6.920 9.145 1.00 0.00 H new ATOM 0 HE1 TYR C 5 56.476 -6.382 14.073 1.00 0.00 H new ATOM 0 HE2 TYR C 5 56.202 -4.686 10.137 1.00 0.00 H new ATOM 0 HH TYR C 5 56.522 -4.084 13.590 1.00 0.00 H new ATOM 84 N LYS C 6 56.761 -12.169 9.818 1.00 0.00 N ATOM 85 CA LYS C 6 56.953 -13.397 8.996 1.00 0.00 C ATOM 86 C LYS C 6 55.594 -14.033 8.695 1.00 0.00 C ATOM 87 O LYS C 6 55.424 -14.722 7.708 1.00 0.00 O ATOM 88 CB LYS C 6 57.809 -14.328 9.859 1.00 0.00 C ATOM 89 CG LYS C 6 57.175 -14.475 11.243 1.00 0.00 C ATOM 90 CD LYS C 6 57.110 -15.956 11.623 1.00 0.00 C ATOM 91 CE LYS C 6 55.856 -16.213 12.461 1.00 0.00 C ATOM 92 NZ LYS C 6 56.061 -17.565 13.051 1.00 0.00 N ATOM 0 H LYS C 6 57.348 -12.104 10.650 1.00 0.00 H new ATOM 0 HA LYS C 6 57.430 -13.189 8.038 1.00 0.00 H new ATOM 0 HB2 LYS C 6 57.895 -15.304 9.382 1.00 0.00 H new ATOM 0 HB3 LYS C 6 58.819 -13.928 9.951 1.00 0.00 H new ATOM 0 HG2 LYS C 6 57.758 -13.925 11.982 1.00 0.00 H new ATOM 0 HG3 LYS C 6 56.173 -14.045 11.243 1.00 0.00 H new ATOM 0 HD2 LYS C 6 57.092 -16.573 10.724 1.00 0.00 H new ATOM 0 HD3 LYS C 6 58.000 -16.238 12.185 1.00 0.00 H new ATOM 0 HE2 LYS C 6 55.737 -15.457 13.237 1.00 0.00 H new ATOM 0 HE3 LYS C 6 54.957 -16.182 11.846 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 55.242 -17.814 13.641 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 56.164 -18.265 12.288 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 56.921 -17.562 13.636 1.00 0.00 H new ATOM 106 N ALA C 7 54.622 -13.796 9.533 1.00 0.00 N ATOM 107 CA ALA C 7 53.269 -14.374 9.292 1.00 0.00 C ATOM 108 C ALA C 7 52.523 -13.524 8.263 1.00 0.00 C ATOM 109 O ALA C 7 51.688 -14.011 7.525 1.00 0.00 O ATOM 110 CB ALA C 7 52.566 -14.319 10.649 1.00 0.00 C ATOM 0 H ALA C 7 54.706 -13.227 10.375 1.00 0.00 H new ATOM 0 HA ALA C 7 53.311 -15.391 8.902 1.00 0.00 H new ATOM 0 HB1 ALA C 7 51.560 -14.728 10.555 1.00 0.00 H new ATOM 0 HB2 ALA C 7 53.130 -14.905 11.375 1.00 0.00 H new ATOM 0 HB3 ALA C 7 52.506 -13.284 10.986 1.00 0.00 H new ATOM 116 N ALA C 8 52.826 -12.256 8.201 1.00 0.00 N ATOM 117 CA ALA C 8 52.145 -11.372 7.214 1.00 0.00 C ATOM 118 C ALA C 8 52.790 -11.545 5.838 1.00 0.00 C ATOM 119 O ALA C 8 52.126 -11.815 4.857 1.00 0.00 O ATOM 120 CB ALA C 8 52.364 -9.952 7.737 1.00 0.00 C ATOM 0 H ALA C 8 53.517 -11.794 8.792 1.00 0.00 H new ATOM 0 HA ALA C 8 51.085 -11.602 7.105 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.890 -9.239 7.062 1.00 0.00 H new ATOM 0 HB2 ALA C 8 51.925 -9.858 8.730 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.433 -9.745 7.792 1.00 0.00 H new ATOM 126 N VAL C 9 54.085 -11.399 5.762 1.00 0.00 N ATOM 127 CA VAL C 9 54.779 -11.564 4.453 1.00 0.00 C ATOM 128 C VAL C 9 54.301 -12.844 3.767 1.00 0.00 C ATOM 129 O VAL C 9 53.946 -12.845 2.606 1.00 0.00 O ATOM 130 CB VAL C 9 56.261 -11.670 4.804 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.092 -11.661 3.520 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.663 -10.484 5.682 1.00 0.00 C ATOM 0 H VAL C 9 54.692 -11.173 6.550 1.00 0.00 H new ATOM 0 HA VAL C 9 54.579 -10.739 3.769 1.00 0.00 H new ATOM 0 HB VAL C 9 56.441 -12.599 5.345 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.150 -11.737 3.771 1.00 0.00 H new ATOM 0 HG12 VAL C 9 56.806 -12.507 2.895 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.913 -10.733 2.977 1.00 0.00 H new ATOM 0 HG21 VAL C 9 57.721 -10.559 5.933 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.483 -9.554 5.142 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.072 -10.492 6.598 1.00 0.00 H new ATOM 142 N GLU C 10 54.290 -13.934 4.484 1.00 0.00 N ATOM 143 CA GLU C 10 53.837 -15.220 3.882 1.00 0.00 C ATOM 144 C GLU C 10 52.380 -15.106 3.424 1.00 0.00 C ATOM 145 O GLU C 10 51.974 -15.712 2.453 1.00 0.00 O ATOM 146 CB GLU C 10 53.964 -16.250 5.005 1.00 0.00 C ATOM 147 CG GLU C 10 55.387 -16.811 5.027 1.00 0.00 C ATOM 148 CD GLU C 10 55.339 -18.331 4.864 1.00 0.00 C ATOM 149 OE1 GLU C 10 55.163 -19.009 5.863 1.00 0.00 O ATOM 150 OE2 GLU C 10 55.480 -18.792 3.743 1.00 0.00 O ATOM 0 H GLU C 10 54.575 -13.990 5.462 1.00 0.00 H new ATOM 0 HA GLU C 10 54.426 -15.495 3.007 1.00 0.00 H new ATOM 0 HB2 GLU C 10 53.729 -15.788 5.964 1.00 0.00 H new ATOM 0 HB3 GLU C 10 53.246 -17.057 4.855 1.00 0.00 H new ATOM 0 HG2 GLU C 10 55.977 -16.367 4.225 1.00 0.00 H new ATOM 0 HG3 GLU C 10 55.877 -16.551 5.965 1.00 0.00 H new ATOM 157 N GLN C 11 51.590 -14.333 4.119 1.00 0.00 N ATOM 158 CA GLN C 11 50.159 -14.181 3.728 1.00 0.00 C ATOM 159 C GLN C 11 50.030 -13.196 2.561 1.00 0.00 C ATOM 160 O GLN C 11 48.967 -13.021 1.999 1.00 0.00 O ATOM 161 CB GLN C 11 49.465 -13.631 4.974 1.00 0.00 C ATOM 162 CG GLN C 11 49.024 -14.792 5.869 1.00 0.00 C ATOM 163 CD GLN C 11 48.407 -14.238 7.157 1.00 0.00 C ATOM 164 OE1 GLN C 11 48.628 -13.095 7.506 1.00 0.00 O ATOM 165 NE2 GLN C 11 47.638 -15.005 7.880 1.00 0.00 N ATOM 0 H GLN C 11 51.874 -13.800 4.941 1.00 0.00 H new ATOM 0 HA GLN C 11 49.719 -15.122 3.398 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.142 -12.974 5.520 1.00 0.00 H new ATOM 0 HB3 GLN C 11 48.601 -13.031 4.687 1.00 0.00 H new ATOM 0 HG2 GLN C 11 48.299 -15.415 5.344 1.00 0.00 H new ATOM 0 HG3 GLN C 11 49.878 -15.427 6.106 1.00 0.00 H new ATOM 0 HE21 GLN C 11 47.453 -15.964 7.586 1.00 0.00 H new ATOM 0 HE22 GLN C 11 47.222 -14.645 8.739 1.00 0.00 H new ATOM 174 N LEU C 12 51.104 -12.552 2.193 1.00 0.00 N ATOM 175 CA LEU C 12 51.042 -11.580 1.064 1.00 0.00 C ATOM 176 C LEU C 12 50.359 -12.217 -0.150 1.00 0.00 C ATOM 177 O LEU C 12 50.751 -13.270 -0.612 1.00 0.00 O ATOM 178 CB LEU C 12 52.501 -11.248 0.744 1.00 0.00 C ATOM 179 CG LEU C 12 53.074 -10.356 1.847 1.00 0.00 C ATOM 180 CD1 LEU C 12 54.509 -9.963 1.492 1.00 0.00 C ATOM 181 CD2 LEU C 12 52.218 -9.094 1.976 1.00 0.00 C ATOM 0 H LEU C 12 52.022 -12.657 2.625 1.00 0.00 H new ATOM 0 HA LEU C 12 50.467 -10.690 1.320 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.085 -12.165 0.663 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.567 -10.742 -0.219 1.00 0.00 H new ATOM 0 HG LEU C 12 53.069 -10.899 2.792 1.00 0.00 H new ATOM 0 HD11 LEU C 12 54.917 -9.327 2.278 1.00 0.00 H new ATOM 0 HD12 LEU C 12 55.119 -10.861 1.398 1.00 0.00 H new ATOM 0 HD13 LEU C 12 54.514 -9.420 0.547 1.00 0.00 H new ATOM 0 HD21 LEU C 12 52.625 -8.457 2.762 1.00 0.00 H new ATOM 0 HD22 LEU C 12 52.224 -8.552 1.030 1.00 0.00 H new ATOM 0 HD23 LEU C 12 51.195 -9.373 2.228 1.00 0.00 H new ATOM 193 N THR C 13 49.340 -11.587 -0.668 1.00 0.00 N ATOM 194 CA THR C 13 48.632 -12.157 -1.851 1.00 0.00 C ATOM 195 C THR C 13 49.526 -12.083 -3.091 1.00 0.00 C ATOM 196 O THR C 13 50.537 -11.409 -3.099 1.00 0.00 O ATOM 197 CB THR C 13 47.392 -11.280 -2.034 1.00 0.00 C ATOM 198 OG1 THR C 13 47.758 -9.913 -1.895 1.00 0.00 O ATOM 199 CG2 THR C 13 46.347 -11.640 -0.978 1.00 0.00 C ATOM 0 H THR C 13 48.967 -10.702 -0.324 1.00 0.00 H new ATOM 0 HA THR C 13 48.373 -13.206 -1.708 1.00 0.00 H new ATOM 0 HB THR C 13 46.972 -11.447 -3.026 1.00 0.00 H new ATOM 0 HG1 THR C 13 47.480 -9.588 -1.013 1.00 0.00 H new ATOM 0 HG21 THR C 13 45.465 -11.014 -1.111 1.00 0.00 H new ATOM 0 HG22 THR C 13 46.067 -12.688 -1.085 1.00 0.00 H new ATOM 0 HG23 THR C 13 46.763 -11.475 0.016 1.00 0.00 H new ATOM 207 N GLU C 14 49.160 -12.767 -4.139 1.00 0.00 N ATOM 208 CA GLU C 14 49.988 -12.733 -5.378 1.00 0.00 C ATOM 209 C GLU C 14 49.889 -11.358 -6.043 1.00 0.00 C ATOM 210 O GLU C 14 50.844 -10.859 -6.605 1.00 0.00 O ATOM 211 CB GLU C 14 49.391 -13.812 -6.282 1.00 0.00 C ATOM 212 CG GLU C 14 50.385 -14.965 -6.428 1.00 0.00 C ATOM 213 CD GLU C 14 49.897 -15.926 -7.512 1.00 0.00 C ATOM 214 OE1 GLU C 14 49.088 -15.509 -8.325 1.00 0.00 O ATOM 215 OE2 GLU C 14 50.342 -17.062 -7.514 1.00 0.00 O ATOM 0 H GLU C 14 48.323 -13.348 -4.192 1.00 0.00 H new ATOM 0 HA GLU C 14 51.044 -12.911 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU C 14 48.454 -14.177 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU C 14 49.158 -13.393 -7.261 1.00 0.00 H new ATOM 0 HG2 GLU C 14 51.371 -14.579 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU C 14 50.488 -15.492 -5.480 1.00 0.00 H new ATOM 222 N GLU C 15 48.741 -10.741 -5.984 1.00 0.00 N ATOM 223 CA GLU C 15 48.583 -9.399 -6.614 1.00 0.00 C ATOM 224 C GLU C 15 49.283 -8.331 -5.770 1.00 0.00 C ATOM 225 O GLU C 15 49.692 -7.301 -6.270 1.00 0.00 O ATOM 226 CB GLU C 15 47.075 -9.152 -6.649 1.00 0.00 C ATOM 227 CG GLU C 15 46.616 -8.994 -8.100 1.00 0.00 C ATOM 228 CD GLU C 15 45.826 -7.692 -8.247 1.00 0.00 C ATOM 229 OE1 GLU C 15 45.158 -7.317 -7.297 1.00 0.00 O ATOM 230 OE2 GLU C 15 45.901 -7.093 -9.307 1.00 0.00 O ATOM 0 H GLU C 15 47.906 -11.107 -5.527 1.00 0.00 H new ATOM 0 HA GLU C 15 49.026 -9.356 -7.609 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.549 -9.983 -6.179 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.829 -8.256 -6.079 1.00 0.00 H new ATOM 0 HG2 GLU C 15 47.478 -8.986 -8.766 1.00 0.00 H new ATOM 0 HG3 GLU C 15 45.997 -9.842 -8.391 1.00 0.00 H new ATOM 237 N GLN C 16 49.426 -8.567 -4.494 1.00 0.00 N ATOM 238 CA GLN C 16 50.100 -7.562 -3.622 1.00 0.00 C ATOM 239 C GLN C 16 51.611 -7.572 -3.871 1.00 0.00 C ATOM 240 O GLN C 16 52.207 -6.557 -4.170 1.00 0.00 O ATOM 241 CB GLN C 16 49.789 -8.007 -2.191 1.00 0.00 C ATOM 242 CG GLN C 16 50.422 -7.028 -1.200 1.00 0.00 C ATOM 243 CD GLN C 16 49.985 -7.385 0.221 1.00 0.00 C ATOM 244 OE1 GLN C 16 49.058 -8.147 0.412 1.00 0.00 O ATOM 245 NE2 GLN C 16 50.617 -6.862 1.236 1.00 0.00 N ATOM 0 H GLN C 16 49.106 -9.411 -4.018 1.00 0.00 H new ATOM 0 HA GLN C 16 49.754 -6.547 -3.818 1.00 0.00 H new ATOM 0 HB2 GLN C 16 48.711 -8.048 -2.038 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.174 -9.013 -2.020 1.00 0.00 H new ATOM 0 HG2 GLN C 16 51.509 -7.067 -1.278 1.00 0.00 H new ATOM 0 HG3 GLN C 16 50.122 -6.008 -1.439 1.00 0.00 H new ATOM 0 HE21 GLN C 16 51.395 -6.222 1.077 1.00 0.00 H new ATOM 0 HE22 GLN C 16 50.333 -7.093 2.188 1.00 0.00 H new ATOM 254 N LYS C 17 52.233 -8.712 -3.751 1.00 0.00 N ATOM 255 CA LYS C 17 53.705 -8.784 -3.981 1.00 0.00 C ATOM 256 C LYS C 17 54.061 -8.173 -5.340 1.00 0.00 C ATOM 257 O LYS C 17 55.126 -7.618 -5.522 1.00 0.00 O ATOM 258 CB LYS C 17 54.035 -10.277 -3.959 1.00 0.00 C ATOM 259 CG LYS C 17 54.518 -10.674 -2.562 1.00 0.00 C ATOM 260 CD LYS C 17 54.132 -12.128 -2.280 1.00 0.00 C ATOM 261 CE LYS C 17 55.341 -13.034 -2.524 1.00 0.00 C ATOM 262 NZ LYS C 17 55.295 -14.042 -1.428 1.00 0.00 N ATOM 0 H LYS C 17 51.788 -9.596 -3.504 1.00 0.00 H new ATOM 0 HA LYS C 17 54.268 -8.231 -3.230 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.154 -10.859 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS C 17 54.804 -10.501 -4.698 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.599 -10.554 -2.492 1.00 0.00 H new ATOM 0 HG3 LYS C 17 54.075 -10.018 -1.813 1.00 0.00 H new ATOM 0 HD2 LYS C 17 53.789 -12.231 -1.251 1.00 0.00 H new ATOM 0 HD3 LYS C 17 53.304 -12.427 -2.923 1.00 0.00 H new ATOM 0 HE2 LYS C 17 55.285 -13.512 -3.502 1.00 0.00 H new ATOM 0 HE3 LYS C 17 56.271 -12.466 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 56.094 -14.700 -1.528 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 55.357 -13.559 -0.509 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 54.402 -14.572 -1.481 1.00 0.00 H new ATOM 276 N ASN C 18 53.176 -8.269 -6.295 1.00 0.00 N ATOM 277 CA ASN C 18 53.465 -7.692 -7.640 1.00 0.00 C ATOM 278 C ASN C 18 53.351 -6.167 -7.599 1.00 0.00 C ATOM 279 O ASN C 18 53.827 -5.476 -8.477 1.00 0.00 O ATOM 280 CB ASN C 18 52.398 -8.285 -8.563 1.00 0.00 C ATOM 281 CG ASN C 18 52.852 -9.662 -9.051 1.00 0.00 C ATOM 282 OD1 ASN C 18 53.517 -9.772 -10.062 1.00 0.00 O ATOM 283 ND2 ASN C 18 52.521 -10.725 -8.371 1.00 0.00 N ATOM 0 H ASN C 18 52.266 -8.721 -6.203 1.00 0.00 H new ATOM 0 HA ASN C 18 54.474 -7.925 -7.980 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.450 -8.370 -8.032 1.00 0.00 H new ATOM 0 HB3 ASN C 18 52.229 -7.624 -9.413 1.00 0.00 H new ATOM 0 HD21 ASN C 18 52.820 -11.647 -8.688 1.00 0.00 H new ATOM 0 HD22 ASN C 18 51.963 -10.634 -7.522 1.00 0.00 H new ATOM 290 N GLU C 19 52.726 -5.637 -6.583 1.00 0.00 N ATOM 291 CA GLU C 19 52.584 -4.155 -6.489 1.00 0.00 C ATOM 292 C GLU C 19 53.858 -3.540 -5.905 1.00 0.00 C ATOM 293 O GLU C 19 54.300 -2.489 -6.324 1.00 0.00 O ATOM 294 CB GLU C 19 51.398 -3.928 -5.551 1.00 0.00 C ATOM 295 CG GLU C 19 50.387 -2.997 -6.225 1.00 0.00 C ATOM 296 CD GLU C 19 48.972 -3.539 -6.014 1.00 0.00 C ATOM 297 OE1 GLU C 19 48.848 -4.625 -5.474 1.00 0.00 O ATOM 298 OE2 GLU C 19 48.036 -2.857 -6.397 1.00 0.00 O ATOM 0 H GLU C 19 52.309 -6.164 -5.816 1.00 0.00 H new ATOM 0 HA GLU C 19 52.425 -3.692 -7.463 1.00 0.00 H new ATOM 0 HB2 GLU C 19 50.926 -4.880 -5.307 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.741 -3.492 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU C 19 50.469 -1.993 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU C 19 50.603 -2.919 -7.291 1.00 0.00 H new ATOM 305 N PHE C 20 54.453 -4.187 -4.940 1.00 0.00 N ATOM 306 CA PHE C 20 55.699 -3.638 -4.332 1.00 0.00 C ATOM 307 C PHE C 20 56.820 -3.581 -5.375 1.00 0.00 C ATOM 308 O PHE C 20 57.549 -2.614 -5.465 1.00 0.00 O ATOM 309 CB PHE C 20 56.056 -4.613 -3.211 1.00 0.00 C ATOM 310 CG PHE C 20 55.000 -4.550 -2.132 1.00 0.00 C ATOM 311 CD1 PHE C 20 54.464 -3.314 -1.748 1.00 0.00 C ATOM 312 CD2 PHE C 20 54.557 -5.726 -1.516 1.00 0.00 C ATOM 313 CE1 PHE C 20 53.484 -3.255 -0.749 1.00 0.00 C ATOM 314 CE2 PHE C 20 53.577 -5.667 -0.517 1.00 0.00 C ATOM 315 CZ PHE C 20 53.042 -4.432 -0.134 1.00 0.00 C ATOM 0 H PHE C 20 54.131 -5.071 -4.547 1.00 0.00 H new ATOM 0 HA PHE C 20 55.563 -2.622 -3.960 1.00 0.00 H new ATOM 0 HB2 PHE C 20 56.128 -5.627 -3.605 1.00 0.00 H new ATOM 0 HB3 PHE C 20 57.032 -4.363 -2.795 1.00 0.00 H new ATOM 0 HD1 PHE C 20 54.807 -2.406 -2.222 1.00 0.00 H new ATOM 0 HD2 PHE C 20 54.971 -6.679 -1.811 1.00 0.00 H new ATOM 0 HE1 PHE C 20 53.070 -2.302 -0.454 1.00 0.00 H new ATOM 0 HE2 PHE C 20 53.234 -6.575 -0.042 1.00 0.00 H new ATOM 0 HZ PHE C 20 52.287 -4.387 0.637 1.00 0.00 H new ATOM 325 N LYS C 21 56.960 -4.612 -6.162 1.00 0.00 N ATOM 326 CA LYS C 21 58.033 -4.617 -7.197 1.00 0.00 C ATOM 327 C LYS C 21 58.096 -3.259 -7.902 1.00 0.00 C ATOM 328 O LYS C 21 59.156 -2.696 -8.089 1.00 0.00 O ATOM 329 CB LYS C 21 57.626 -5.715 -8.179 1.00 0.00 C ATOM 330 CG LYS C 21 58.390 -7.000 -7.851 1.00 0.00 C ATOM 331 CD LYS C 21 59.875 -6.802 -8.157 1.00 0.00 C ATOM 332 CE LYS C 21 60.494 -8.141 -8.562 1.00 0.00 C ATOM 333 NZ LYS C 21 60.675 -8.048 -10.038 1.00 0.00 N ATOM 0 H LYS C 21 56.379 -5.450 -6.134 1.00 0.00 H new ATOM 0 HA LYS C 21 59.020 -4.796 -6.770 1.00 0.00 H new ATOM 0 HB2 LYS C 21 56.552 -5.892 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS C 21 57.841 -5.402 -9.201 1.00 0.00 H new ATOM 0 HG2 LYS C 21 58.255 -7.258 -6.801 1.00 0.00 H new ATOM 0 HG3 LYS C 21 57.995 -7.830 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS C 21 59.998 -6.074 -8.959 1.00 0.00 H new ATOM 0 HD3 LYS C 21 60.388 -6.402 -7.282 1.00 0.00 H new ATOM 0 HE2 LYS C 21 61.446 -8.305 -8.057 1.00 0.00 H new ATOM 0 HE3 LYS C 21 59.843 -8.974 -8.295 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 61.096 -8.930 -10.392 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 59.752 -7.898 -10.492 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 61.304 -7.250 -10.261 1.00 0.00 H new ATOM 347 N ALA C 22 56.970 -2.730 -8.294 1.00 0.00 N ATOM 348 CA ALA C 22 56.968 -1.408 -8.987 1.00 0.00 C ATOM 349 C ALA C 22 57.720 -0.369 -8.154 1.00 0.00 C ATOM 350 O ALA C 22 58.753 0.129 -8.554 1.00 0.00 O ATOM 351 CB ALA C 22 55.491 -1.028 -9.112 1.00 0.00 C ATOM 0 H ALA C 22 56.051 -3.154 -8.165 1.00 0.00 H new ATOM 0 HA ALA C 22 57.462 -1.452 -9.958 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.405 -0.064 -9.613 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.968 -1.787 -9.693 1.00 0.00 H new ATOM 0 HB3 ALA C 22 55.047 -0.962 -8.119 1.00 0.00 H new ATOM 357 N ALA C 23 57.213 -0.036 -6.998 1.00 0.00 N ATOM 358 CA ALA C 23 57.907 0.973 -6.149 1.00 0.00 C ATOM 359 C ALA C 23 59.404 0.662 -6.079 1.00 0.00 C ATOM 360 O ALA C 23 60.234 1.494 -6.386 1.00 0.00 O ATOM 361 CB ALA C 23 57.262 0.846 -4.770 1.00 0.00 C ATOM 0 H ALA C 23 56.352 -0.417 -6.606 1.00 0.00 H new ATOM 0 HA ALA C 23 57.812 1.984 -6.546 1.00 0.00 H new ATOM 0 HB1 ALA C 23 57.722 1.560 -4.086 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.195 1.053 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.409 -0.166 -4.391 1.00 0.00 H new ATOM 367 N PHE C 24 59.756 -0.531 -5.683 1.00 0.00 N ATOM 368 CA PHE C 24 61.200 -0.891 -5.602 1.00 0.00 C ATOM 369 C PHE C 24 61.926 -0.418 -6.863 1.00 0.00 C ATOM 370 O PHE C 24 62.986 0.171 -6.798 1.00 0.00 O ATOM 371 CB PHE C 24 61.229 -2.416 -5.506 1.00 0.00 C ATOM 372 CG PHE C 24 62.551 -2.857 -4.925 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.810 -2.677 -3.561 1.00 0.00 C ATOM 374 CD2 PHE C 24 63.519 -3.441 -5.750 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.037 -3.083 -3.022 1.00 0.00 C ATOM 376 CE2 PHE C 24 64.746 -3.846 -5.211 1.00 0.00 C ATOM 377 CZ PHE C 24 65.004 -3.667 -3.847 1.00 0.00 C ATOM 0 H PHE C 24 59.107 -1.270 -5.413 1.00 0.00 H new ATOM 0 HA PHE C 24 61.696 -0.424 -4.751 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.409 -2.768 -4.880 1.00 0.00 H new ATOM 0 HB3 PHE C 24 61.088 -2.856 -6.493 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.064 -2.225 -2.925 1.00 0.00 H new ATOM 0 HD2 PHE C 24 63.319 -3.579 -6.802 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.237 -2.945 -1.970 1.00 0.00 H new ATOM 0 HE2 PHE C 24 65.493 -4.296 -5.848 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.950 -3.980 -3.431 1.00 0.00 H new ATOM 387 N ASP C 25 61.359 -0.668 -8.012 1.00 0.00 N ATOM 388 CA ASP C 25 62.013 -0.228 -9.277 1.00 0.00 C ATOM 389 C ASP C 25 62.296 1.275 -9.221 1.00 0.00 C ATOM 390 O ASP C 25 63.356 1.735 -9.600 1.00 0.00 O ATOM 391 CB ASP C 25 60.997 -0.540 -10.376 1.00 0.00 C ATOM 392 CG ASP C 25 61.571 -1.601 -11.317 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.782 -1.645 -11.460 1.00 0.00 O ATOM 394 OD2 ASP C 25 60.790 -2.352 -11.877 1.00 0.00 O ATOM 0 H ASP C 25 60.472 -1.158 -8.129 1.00 0.00 H new ATOM 0 HA ASP C 25 62.966 -0.729 -9.450 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.066 -0.896 -9.935 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.760 0.366 -10.934 1.00 0.00 H new ATOM 399 N ILE C 26 61.354 2.042 -8.748 1.00 0.00 N ATOM 400 CA ILE C 26 61.560 3.517 -8.662 1.00 0.00 C ATOM 401 C ILE C 26 62.426 3.860 -7.449 1.00 0.00 C ATOM 402 O ILE C 26 63.113 4.862 -7.425 1.00 0.00 O ATOM 403 CB ILE C 26 60.158 4.100 -8.496 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.349 3.847 -9.769 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.256 5.604 -8.239 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.642 2.497 -9.658 1.00 0.00 C ATOM 0 H ILE C 26 60.448 1.711 -8.416 1.00 0.00 H new ATOM 0 HA ILE C 26 62.069 3.915 -9.540 1.00 0.00 H new ATOM 0 HB ILE C 26 59.663 3.623 -7.651 1.00 0.00 H new ATOM 0 HG12 ILE C 26 58.618 4.643 -9.913 1.00 0.00 H new ATOM 0 HG13 ILE C 26 60.006 3.856 -10.639 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.255 6.019 -8.121 1.00 0.00 H new ATOM 0 HG22 ILE C 26 60.832 5.781 -7.331 1.00 0.00 H new ATOM 0 HG23 ILE C 26 60.751 6.086 -9.082 1.00 0.00 H new ATOM 0 HD11 ILE C 26 58.064 2.313 -10.564 1.00 0.00 H new ATOM 0 HD12 ILE C 26 59.383 1.707 -9.534 1.00 0.00 H new ATOM 0 HD13 ILE C 26 57.974 2.506 -8.797 1.00 0.00 H new ATOM 418 N PHE C 27 62.388 3.039 -6.436 1.00 0.00 N ATOM 419 CA PHE C 27 63.199 3.316 -5.214 1.00 0.00 C ATOM 420 C PHE C 27 64.685 3.050 -5.475 1.00 0.00 C ATOM 421 O PHE C 27 65.543 3.540 -4.768 1.00 0.00 O ATOM 422 CB PHE C 27 62.664 2.347 -4.160 1.00 0.00 C ATOM 423 CG PHE C 27 61.474 2.963 -3.461 1.00 0.00 C ATOM 424 CD1 PHE C 27 60.558 3.733 -4.187 1.00 0.00 C ATOM 425 CD2 PHE C 27 61.290 2.763 -2.088 1.00 0.00 C ATOM 426 CE1 PHE C 27 59.457 4.305 -3.538 1.00 0.00 C ATOM 427 CE2 PHE C 27 60.189 3.335 -1.439 1.00 0.00 C ATOM 428 CZ PHE C 27 59.272 4.105 -2.164 1.00 0.00 C ATOM 0 H PHE C 27 61.830 2.186 -6.401 1.00 0.00 H new ATOM 0 HA PHE C 27 63.119 4.357 -4.900 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.376 1.406 -4.629 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.444 2.115 -3.435 1.00 0.00 H new ATOM 0 HD1 PHE C 27 60.700 3.886 -5.247 1.00 0.00 H new ATOM 0 HD2 PHE C 27 61.997 2.168 -1.529 1.00 0.00 H new ATOM 0 HE1 PHE C 27 58.750 4.900 -4.097 1.00 0.00 H new ATOM 0 HE2 PHE C 27 60.047 3.182 -0.379 1.00 0.00 H new ATOM 0 HZ PHE C 27 58.422 4.545 -1.664 1.00 0.00 H new ATOM 438 N VAL C 28 65.000 2.274 -6.477 1.00 0.00 N ATOM 439 CA VAL C 28 66.433 1.979 -6.767 1.00 0.00 C ATOM 440 C VAL C 28 66.863 2.634 -8.081 1.00 0.00 C ATOM 441 O VAL C 28 67.724 2.137 -8.780 1.00 0.00 O ATOM 442 CB VAL C 28 66.505 0.456 -6.882 1.00 0.00 C ATOM 443 CG1 VAL C 28 65.808 -0.183 -5.681 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.811 0.008 -8.171 1.00 0.00 C ATOM 0 H VAL C 28 64.329 1.833 -7.106 1.00 0.00 H new ATOM 0 HA VAL C 28 67.095 2.366 -5.993 1.00 0.00 H new ATOM 0 HB VAL C 28 67.549 0.144 -6.903 1.00 0.00 H new ATOM 0 HG11 VAL C 28 65.860 -1.268 -5.765 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.302 0.134 -4.763 1.00 0.00 H new ATOM 0 HG13 VAL C 28 64.764 0.129 -5.658 1.00 0.00 H new ATOM 0 HG21 VAL C 28 65.862 -1.078 -8.253 1.00 0.00 H new ATOM 0 HG22 VAL C 28 64.767 0.322 -8.150 1.00 0.00 H new ATOM 0 HG23 VAL C 28 66.309 0.461 -9.029 1.00 0.00 H new ATOM 454 N LEU C 29 66.273 3.743 -8.425 1.00 0.00 N ATOM 455 CA LEU C 29 66.654 4.424 -9.696 1.00 0.00 C ATOM 456 C LEU C 29 68.112 4.891 -9.629 1.00 0.00 C ATOM 457 O LEU C 29 68.405 5.977 -9.169 1.00 0.00 O ATOM 458 CB LEU C 29 65.712 5.622 -9.802 1.00 0.00 C ATOM 459 CG LEU C 29 64.604 5.313 -10.809 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.448 6.294 -10.612 1.00 0.00 C ATOM 461 CD2 LEU C 29 65.154 5.453 -12.231 1.00 0.00 C ATOM 0 H LEU C 29 65.544 4.208 -7.883 1.00 0.00 H new ATOM 0 HA LEU C 29 66.571 3.764 -10.559 1.00 0.00 H new ATOM 0 HB2 LEU C 29 65.279 5.845 -8.827 1.00 0.00 H new ATOM 0 HB3 LEU C 29 66.266 6.507 -10.115 1.00 0.00 H new ATOM 0 HG LEU C 29 64.247 4.295 -10.655 1.00 0.00 H new ATOM 0 HD11 LEU C 29 62.658 6.074 -11.330 1.00 0.00 H new ATOM 0 HD12 LEU C 29 63.056 6.196 -9.600 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.805 7.312 -10.766 1.00 0.00 H new ATOM 0 HD21 LEU C 29 64.365 5.233 -12.950 1.00 0.00 H new ATOM 0 HD22 LEU C 29 65.511 6.471 -12.384 1.00 0.00 H new ATOM 0 HD23 LEU C 29 65.979 4.754 -12.373 1.00 0.00 H new ATOM 473 N GLY C 30 69.027 4.078 -10.083 1.00 0.00 N ATOM 474 CA GLY C 30 70.463 4.476 -10.045 1.00 0.00 C ATOM 475 C GLY C 30 71.304 3.313 -9.515 1.00 0.00 C ATOM 476 O GLY C 30 72.462 3.169 -9.851 1.00 0.00 O ATOM 0 H GLY C 30 68.842 3.156 -10.478 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.800 4.756 -11.043 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.592 5.351 -9.408 1.00 0.00 H new ATOM 480 N ALA C 31 70.729 2.481 -8.690 1.00 0.00 N ATOM 481 CA ALA C 31 71.497 1.326 -8.139 1.00 0.00 C ATOM 482 C ALA C 31 71.861 0.349 -9.261 1.00 0.00 C ATOM 483 O ALA C 31 71.082 0.106 -10.160 1.00 0.00 O ATOM 484 CB ALA C 31 70.550 0.663 -7.138 1.00 0.00 C ATOM 0 H ALA C 31 69.762 2.550 -8.373 1.00 0.00 H new ATOM 0 HA ALA C 31 72.432 1.636 -7.673 1.00 0.00 H new ATOM 0 HB1 ALA C 31 71.042 -0.199 -6.687 1.00 0.00 H new ATOM 0 HB2 ALA C 31 70.285 1.378 -6.359 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.647 0.336 -7.653 1.00 0.00 H new ATOM 490 N GLU C 32 73.039 -0.212 -9.216 1.00 0.00 N ATOM 491 CA GLU C 32 73.446 -1.173 -10.282 1.00 0.00 C ATOM 492 C GLU C 32 72.817 -2.545 -10.028 1.00 0.00 C ATOM 493 O GLU C 32 72.220 -3.136 -10.906 1.00 0.00 O ATOM 494 CB GLU C 32 74.970 -1.254 -10.184 1.00 0.00 C ATOM 495 CG GLU C 32 75.548 -1.646 -11.546 1.00 0.00 C ATOM 496 CD GLU C 32 76.528 -0.571 -12.016 1.00 0.00 C ATOM 497 OE1 GLU C 32 77.692 -0.660 -11.661 1.00 0.00 O ATOM 498 OE2 GLU C 32 76.098 0.324 -12.726 1.00 0.00 O ATOM 0 H GLU C 32 73.736 -0.047 -8.489 1.00 0.00 H new ATOM 0 HA GLU C 32 73.118 -0.853 -11.271 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.376 -0.293 -9.867 1.00 0.00 H new ATOM 0 HB3 GLU C 32 75.258 -1.986 -9.430 1.00 0.00 H new ATOM 0 HG2 GLU C 32 76.055 -2.608 -11.474 1.00 0.00 H new ATOM 0 HG3 GLU C 32 74.745 -1.763 -12.273 1.00 0.00 H new ATOM 505 N ASP C 33 72.946 -3.058 -8.835 1.00 0.00 N ATOM 506 CA ASP C 33 72.352 -4.392 -8.529 1.00 0.00 C ATOM 507 C ASP C 33 70.846 -4.260 -8.291 1.00 0.00 C ATOM 508 O ASP C 33 70.085 -5.173 -8.544 1.00 0.00 O ATOM 509 CB ASP C 33 73.058 -4.857 -7.255 1.00 0.00 C ATOM 510 CG ASP C 33 74.397 -5.503 -7.617 1.00 0.00 C ATOM 511 OD1 ASP C 33 74.943 -5.148 -8.648 1.00 0.00 O ATOM 512 OD2 ASP C 33 74.853 -6.340 -6.856 1.00 0.00 O ATOM 0 H ASP C 33 73.436 -2.612 -8.059 1.00 0.00 H new ATOM 0 HA ASP C 33 72.482 -5.099 -9.348 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.220 -4.011 -6.587 1.00 0.00 H new ATOM 0 HB3 ASP C 33 72.431 -5.570 -6.720 1.00 0.00 H new ATOM 517 N GLY C 34 70.409 -3.129 -7.807 1.00 0.00 N ATOM 518 CA GLY C 34 68.953 -2.938 -7.552 1.00 0.00 C ATOM 519 C GLY C 34 68.713 -2.759 -6.052 1.00 0.00 C ATOM 520 O GLY C 34 67.702 -3.173 -5.521 1.00 0.00 O ATOM 0 H GLY C 34 70.998 -2.329 -7.577 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.590 -2.065 -8.095 1.00 0.00 H new ATOM 0 HA3 GLY C 34 68.393 -3.798 -7.920 1.00 0.00 H new ATOM 524 N CYS C 35 69.636 -2.145 -5.363 1.00 0.00 N ATOM 525 CA CYS C 35 69.461 -1.938 -3.897 1.00 0.00 C ATOM 526 C CYS C 35 69.208 -0.458 -3.600 1.00 0.00 C ATOM 527 O CYS C 35 69.429 0.398 -4.432 1.00 0.00 O ATOM 528 CB CYS C 35 70.782 -2.392 -3.274 1.00 0.00 C ATOM 529 SG CYS C 35 71.158 -4.077 -3.820 1.00 0.00 S ATOM 0 H CYS C 35 70.504 -1.778 -5.752 1.00 0.00 H new ATOM 0 HA CYS C 35 68.611 -2.492 -3.499 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.586 -1.716 -3.566 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.715 -2.357 -2.187 1.00 0.00 H new ATOM 0 HG CYS C 35 72.282 -4.463 -3.293 1.00 0.00 H new ATOM 535 N ILE C 36 68.745 -0.147 -2.420 1.00 0.00 N ATOM 536 CA ILE C 36 68.479 1.280 -2.079 1.00 0.00 C ATOM 537 C ILE C 36 69.521 1.796 -1.083 1.00 0.00 C ATOM 538 O ILE C 36 70.150 1.036 -0.373 1.00 0.00 O ATOM 539 CB ILE C 36 67.086 1.288 -1.450 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.031 1.125 -2.548 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.859 2.616 -0.723 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.710 0.672 -1.926 1.00 0.00 C ATOM 0 H ILE C 36 68.540 -0.817 -1.679 1.00 0.00 H new ATOM 0 HA ILE C 36 68.534 1.926 -2.955 1.00 0.00 H new ATOM 0 HB ILE C 36 67.005 0.466 -0.739 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.892 2.069 -3.076 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.367 0.395 -3.284 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.865 2.620 -0.275 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.610 2.736 0.058 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.940 3.438 -1.434 1.00 0.00 H new ATOM 0 HD11 ILE C 36 63.960 0.556 -2.709 1.00 0.00 H new ATOM 0 HD12 ILE C 36 64.855 -0.282 -1.419 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.372 1.418 -1.207 1.00 0.00 H new ATOM 554 N SER C 37 69.705 3.085 -1.031 1.00 0.00 N ATOM 555 CA SER C 37 70.702 3.671 -0.091 1.00 0.00 C ATOM 556 C SER C 37 70.356 5.134 0.167 1.00 0.00 C ATOM 557 O SER C 37 71.210 5.995 0.194 1.00 0.00 O ATOM 558 CB SER C 37 72.025 3.572 -0.823 1.00 0.00 C ATOM 559 OG SER C 37 72.866 2.635 -0.161 1.00 0.00 O ATOM 0 H SER C 37 69.204 3.764 -1.604 1.00 0.00 H new ATOM 0 HA SER C 37 70.725 3.161 0.872 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.859 3.262 -1.855 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.508 4.549 -0.857 1.00 0.00 H new ATOM 0 HG SER C 37 73.708 2.546 -0.654 1.00 0.00 H new ATOM 565 N THR C 38 69.097 5.407 0.328 1.00 0.00 N ATOM 566 CA THR C 38 68.627 6.809 0.561 1.00 0.00 C ATOM 567 C THR C 38 68.772 7.606 -0.734 1.00 0.00 C ATOM 568 O THR C 38 67.808 8.120 -1.268 1.00 0.00 O ATOM 569 CB THR C 38 69.509 7.407 1.669 1.00 0.00 C ATOM 570 OG1 THR C 38 70.653 8.021 1.093 1.00 0.00 O ATOM 571 CG2 THR C 38 69.947 6.318 2.652 1.00 0.00 C ATOM 0 H THR C 38 68.354 4.709 0.309 1.00 0.00 H new ATOM 0 HA THR C 38 67.580 6.837 0.862 1.00 0.00 H new ATOM 0 HB THR C 38 68.930 8.155 2.211 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.352 7.348 0.957 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.571 6.759 3.430 1.00 0.00 H new ATOM 0 HG22 THR C 38 69.067 5.863 3.107 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.516 5.555 2.120 1.00 0.00 H new ATOM 579 N LYS C 39 69.963 7.696 -1.261 1.00 0.00 N ATOM 580 CA LYS C 39 70.145 8.441 -2.537 1.00 0.00 C ATOM 581 C LYS C 39 69.113 7.943 -3.547 1.00 0.00 C ATOM 582 O LYS C 39 68.620 8.685 -4.374 1.00 0.00 O ATOM 583 CB LYS C 39 71.564 8.105 -2.996 1.00 0.00 C ATOM 584 CG LYS C 39 72.572 8.653 -1.983 1.00 0.00 C ATOM 585 CD LYS C 39 73.421 9.740 -2.646 1.00 0.00 C ATOM 586 CE LYS C 39 73.819 10.788 -1.604 1.00 0.00 C ATOM 587 NZ LYS C 39 74.389 11.916 -2.391 1.00 0.00 N ATOM 0 H LYS C 39 70.811 7.289 -0.866 1.00 0.00 H new ATOM 0 HA LYS C 39 70.011 9.517 -2.430 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.680 7.026 -3.093 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.751 8.535 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.049 9.062 -1.118 1.00 0.00 H new ATOM 0 HG3 LYS C 39 73.211 7.849 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS C 39 74.313 9.298 -3.091 1.00 0.00 H new ATOM 0 HD3 LYS C 39 72.861 10.211 -3.454 1.00 0.00 H new ATOM 0 HE2 LYS C 39 72.957 11.110 -1.019 1.00 0.00 H new ATOM 0 HE3 LYS C 39 74.550 10.388 -0.901 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 74.685 12.675 -1.745 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 75.212 11.581 -2.932 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 73.669 12.281 -3.047 1.00 0.00 H new ATOM 601 N GLU C 40 68.769 6.685 -3.466 1.00 0.00 N ATOM 602 CA GLU C 40 67.752 6.117 -4.394 1.00 0.00 C ATOM 603 C GLU C 40 66.370 6.216 -3.746 1.00 0.00 C ATOM 604 O GLU C 40 65.357 6.292 -4.413 1.00 0.00 O ATOM 605 CB GLU C 40 68.148 4.650 -4.573 1.00 0.00 C ATOM 606 CG GLU C 40 69.580 4.558 -5.099 1.00 0.00 C ATOM 607 CD GLU C 40 70.557 4.549 -3.922 1.00 0.00 C ATOM 608 OE1 GLU C 40 70.103 4.706 -2.800 1.00 0.00 O ATOM 609 OE2 GLU C 40 71.742 4.386 -4.161 1.00 0.00 O ATOM 0 H GLU C 40 69.153 6.023 -2.791 1.00 0.00 H new ATOM 0 HA GLU C 40 67.713 6.643 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU C 40 68.066 4.124 -3.622 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.464 4.162 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.703 3.653 -5.694 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.793 5.402 -5.755 1.00 0.00 H new ATOM 616 N LEU C 41 66.332 6.213 -2.440 1.00 0.00 N ATOM 617 CA LEU C 41 65.029 6.304 -1.720 1.00 0.00 C ATOM 618 C LEU C 41 64.529 7.752 -1.712 1.00 0.00 C ATOM 619 O LEU C 41 63.503 8.067 -2.282 1.00 0.00 O ATOM 620 CB LEU C 41 65.341 5.835 -0.298 1.00 0.00 C ATOM 621 CG LEU C 41 64.052 5.388 0.395 1.00 0.00 C ATOM 622 CD1 LEU C 41 63.004 6.494 0.285 1.00 0.00 C ATOM 623 CD2 LEU C 41 63.528 4.116 -0.275 1.00 0.00 C ATOM 0 H LEU C 41 67.153 6.151 -1.838 1.00 0.00 H new ATOM 0 HA LEU C 41 64.249 5.704 -2.189 1.00 0.00 H new ATOM 0 HB2 LEU C 41 66.054 5.011 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU C 41 65.807 6.642 0.267 1.00 0.00 H new ATOM 0 HG LEU C 41 64.255 5.186 1.447 1.00 0.00 H new ATOM 0 HD11 LEU C 41 62.086 6.176 0.779 1.00 0.00 H new ATOM 0 HD12 LEU C 41 63.378 7.399 0.764 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.799 6.698 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU C 41 62.610 3.797 0.218 1.00 0.00 H new ATOM 0 HD22 LEU C 41 63.324 4.316 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU C 41 64.276 3.327 -0.194 1.00 0.00 H new ATOM 635 N GLY C 42 65.246 8.633 -1.070 1.00 0.00 N ATOM 636 CA GLY C 42 64.810 10.059 -1.027 1.00 0.00 C ATOM 637 C GLY C 42 64.366 10.503 -2.422 1.00 0.00 C ATOM 638 O GLY C 42 63.571 11.409 -2.571 1.00 0.00 O ATOM 0 H GLY C 42 66.113 8.428 -0.574 1.00 0.00 H new ATOM 0 HA2 GLY C 42 63.990 10.178 -0.319 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.628 10.689 -0.677 1.00 0.00 H new ATOM 642 N LYS C 43 64.876 9.875 -3.446 1.00 0.00 N ATOM 643 CA LYS C 43 64.484 10.265 -4.830 1.00 0.00 C ATOM 644 C LYS C 43 62.960 10.229 -4.988 1.00 0.00 C ATOM 645 O LYS C 43 62.384 11.021 -5.708 1.00 0.00 O ATOM 646 CB LYS C 43 65.142 9.225 -5.737 1.00 0.00 C ATOM 647 CG LYS C 43 66.638 9.523 -5.857 1.00 0.00 C ATOM 648 CD LYS C 43 66.870 10.522 -6.989 1.00 0.00 C ATOM 649 CE LYS C 43 67.827 9.919 -8.021 1.00 0.00 C ATOM 650 NZ LYS C 43 67.039 8.851 -8.699 1.00 0.00 N ATOM 0 H LYS C 43 65.547 9.109 -3.384 1.00 0.00 H new ATOM 0 HA LYS C 43 64.800 11.279 -5.074 1.00 0.00 H new ATOM 0 HB2 LYS C 43 64.991 8.225 -5.330 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.677 9.241 -6.723 1.00 0.00 H new ATOM 0 HG2 LYS C 43 67.015 9.928 -4.918 1.00 0.00 H new ATOM 0 HG3 LYS C 43 67.188 8.603 -6.052 1.00 0.00 H new ATOM 0 HD2 LYS C 43 65.922 10.776 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS C 43 67.285 11.448 -6.591 1.00 0.00 H new ATOM 0 HE2 LYS C 43 68.166 10.672 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS C 43 68.717 9.510 -7.543 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 67.509 7.933 -8.563 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 66.083 8.814 -8.292 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 66.975 9.059 -9.716 1.00 0.00 H new ATOM 664 N VAL C 44 62.302 9.317 -4.325 1.00 0.00 N ATOM 665 CA VAL C 44 60.820 9.235 -4.445 1.00 0.00 C ATOM 666 C VAL C 44 60.148 10.228 -3.493 1.00 0.00 C ATOM 667 O VAL C 44 59.020 10.629 -3.696 1.00 0.00 O ATOM 668 CB VAL C 44 60.474 7.804 -4.049 1.00 0.00 C ATOM 669 CG1 VAL C 44 58.965 7.600 -4.167 1.00 0.00 C ATOM 670 CG2 VAL C 44 61.197 6.827 -4.979 1.00 0.00 C ATOM 0 H VAL C 44 62.727 8.626 -3.706 1.00 0.00 H new ATOM 0 HA VAL C 44 60.476 9.480 -5.450 1.00 0.00 H new ATOM 0 HB VAL C 44 60.788 7.623 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL C 44 58.713 6.578 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL C 44 58.451 8.297 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.653 7.780 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.949 5.804 -4.696 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.884 7.004 -6.008 1.00 0.00 H new ATOM 0 HG23 VAL C 44 62.274 6.976 -4.897 1.00 0.00 H new ATOM 680 N MET C 45 60.831 10.626 -2.455 1.00 0.00 N ATOM 681 CA MET C 45 60.224 11.590 -1.494 1.00 0.00 C ATOM 682 C MET C 45 59.794 12.862 -2.226 1.00 0.00 C ATOM 683 O MET C 45 58.674 13.312 -2.098 1.00 0.00 O ATOM 684 CB MET C 45 61.326 11.893 -0.480 1.00 0.00 C ATOM 685 CG MET C 45 61.289 10.850 0.639 1.00 0.00 C ATOM 686 SD MET C 45 61.464 9.193 -0.071 1.00 0.00 S ATOM 687 CE MET C 45 59.715 8.912 -0.446 1.00 0.00 C ATOM 0 H MET C 45 61.780 10.327 -2.231 1.00 0.00 H new ATOM 0 HA MET C 45 59.334 11.187 -1.011 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.299 11.882 -0.970 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.189 12.892 -0.066 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.092 11.038 1.352 1.00 0.00 H new ATOM 0 HG3 MET C 45 60.351 10.924 1.189 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.400 7.959 -0.020 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.117 9.716 -0.017 1.00 0.00 H new ATOM 0 HE3 MET C 45 59.573 8.891 -1.527 1.00 0.00 H new ATOM 697 N ARG C 46 60.669 13.440 -3.002 1.00 0.00 N ATOM 698 CA ARG C 46 60.296 14.676 -3.745 1.00 0.00 C ATOM 699 C ARG C 46 59.061 14.403 -4.610 1.00 0.00 C ATOM 700 O ARG C 46 58.261 15.281 -4.862 1.00 0.00 O ATOM 701 CB ARG C 46 61.509 14.997 -4.618 1.00 0.00 C ATOM 702 CG ARG C 46 62.273 16.178 -4.015 1.00 0.00 C ATOM 703 CD ARG C 46 63.738 16.116 -4.454 1.00 0.00 C ATOM 704 NE ARG C 46 63.773 16.817 -5.768 1.00 0.00 N ATOM 705 CZ ARG C 46 64.747 16.583 -6.605 1.00 0.00 C ATOM 706 NH1 ARG C 46 65.958 16.975 -6.322 1.00 0.00 N ATOM 707 NH2 ARG C 46 64.508 15.959 -7.726 1.00 0.00 N ATOM 0 H ARG C 46 61.623 13.111 -3.153 1.00 0.00 H new ATOM 0 HA ARG C 46 60.049 15.506 -3.083 1.00 0.00 H new ATOM 0 HB2 ARG C 46 62.161 14.126 -4.688 1.00 0.00 H new ATOM 0 HB3 ARG C 46 61.188 15.237 -5.632 1.00 0.00 H new ATOM 0 HG2 ARG C 46 61.825 17.118 -4.338 1.00 0.00 H new ATOM 0 HG3 ARG C 46 62.207 16.151 -2.927 1.00 0.00 H new ATOM 0 HD2 ARG C 46 64.389 16.604 -3.728 1.00 0.00 H new ATOM 0 HD3 ARG C 46 64.080 15.085 -4.547 1.00 0.00 H new ATOM 0 HE ARG C 46 63.037 17.479 -6.013 1.00 0.00 H new ATOM 0 HH11 ARG C 46 66.144 17.464 -5.447 1.00 0.00 H new ATOM 0 HH12 ARG C 46 66.719 16.792 -6.976 1.00 0.00 H new ATOM 0 HH21 ARG C 46 63.560 15.654 -7.948 1.00 0.00 H new ATOM 0 HH22 ARG C 46 65.269 15.776 -8.380 1.00 0.00 H new ATOM 721 N MET C 47 58.901 13.188 -5.062 1.00 0.00 N ATOM 722 CA MET C 47 57.718 12.855 -5.904 1.00 0.00 C ATOM 723 C MET C 47 56.511 12.548 -5.011 1.00 0.00 C ATOM 724 O MET C 47 55.375 12.749 -5.394 1.00 0.00 O ATOM 725 CB MET C 47 58.127 11.612 -6.699 1.00 0.00 C ATOM 726 CG MET C 47 59.082 12.014 -7.825 1.00 0.00 C ATOM 727 SD MET C 47 58.320 11.647 -9.425 1.00 0.00 S ATOM 728 CE MET C 47 58.300 9.845 -9.260 1.00 0.00 C ATOM 0 H MET C 47 59.539 12.412 -4.884 1.00 0.00 H new ATOM 0 HA MET C 47 57.433 13.678 -6.560 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.609 10.889 -6.041 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.244 11.126 -7.114 1.00 0.00 H new ATOM 0 HG2 MET C 47 59.315 13.077 -7.757 1.00 0.00 H new ATOM 0 HG3 MET C 47 60.024 11.475 -7.727 1.00 0.00 H new ATOM 0 HE1 MET C 47 59.094 9.415 -9.870 1.00 0.00 H new ATOM 0 HE2 MET C 47 58.457 9.573 -8.216 1.00 0.00 H new ATOM 0 HE3 MET C 47 57.337 9.460 -9.594 1.00 0.00 H new ATOM 738 N LEU C 48 56.751 12.066 -3.821 1.00 0.00 N ATOM 739 CA LEU C 48 55.619 11.753 -2.902 1.00 0.00 C ATOM 740 C LEU C 48 55.165 13.022 -2.175 1.00 0.00 C ATOM 741 O LEU C 48 54.385 12.973 -1.246 1.00 0.00 O ATOM 742 CB LEU C 48 56.180 10.734 -1.908 1.00 0.00 C ATOM 743 CG LEU C 48 56.442 9.406 -2.624 1.00 0.00 C ATOM 744 CD1 LEU C 48 56.844 8.344 -1.598 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.172 8.954 -3.350 1.00 0.00 C ATOM 0 H LEU C 48 57.680 11.876 -3.446 1.00 0.00 H new ATOM 0 HA LEU C 48 54.751 11.363 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU C 48 57.104 11.110 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU C 48 55.476 10.584 -1.089 1.00 0.00 H new ATOM 0 HG LEU C 48 57.246 9.539 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU C 48 57.031 7.398 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU C 48 57.749 8.662 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.039 8.214 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU C 48 55.361 8.009 -3.859 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.367 8.823 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU C 48 54.883 9.709 -4.082 1.00 0.00 H new ATOM 757 N GLY C 49 55.651 14.159 -2.594 1.00 0.00 N ATOM 758 CA GLY C 49 55.250 15.431 -1.928 1.00 0.00 C ATOM 759 C GLY C 49 55.959 15.546 -0.579 1.00 0.00 C ATOM 760 O GLY C 49 55.389 15.994 0.396 1.00 0.00 O ATOM 0 H GLY C 49 56.308 14.262 -3.368 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.507 16.281 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.170 15.455 -1.786 1.00 0.00 H new ATOM 764 N GLN C 50 57.197 15.143 -0.514 1.00 0.00 N ATOM 765 CA GLN C 50 57.941 15.227 0.775 1.00 0.00 C ATOM 766 C GLN C 50 59.440 15.402 0.514 1.00 0.00 C ATOM 767 O GLN C 50 59.901 15.304 -0.605 1.00 0.00 O ATOM 768 CB GLN C 50 57.672 13.894 1.473 1.00 0.00 C ATOM 769 CG GLN C 50 56.874 14.140 2.754 1.00 0.00 C ATOM 770 CD GLN C 50 57.645 15.101 3.661 1.00 0.00 C ATOM 771 OE1 GLN C 50 58.855 15.036 3.744 1.00 0.00 O ATOM 772 NE2 GLN C 50 56.990 15.996 4.348 1.00 0.00 N ATOM 0 H GLN C 50 57.726 14.759 -1.297 1.00 0.00 H new ATOM 0 HA GLN C 50 57.624 16.077 1.379 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.119 13.229 0.810 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.614 13.398 1.708 1.00 0.00 H new ATOM 0 HG2 GLN C 50 55.897 14.558 2.511 1.00 0.00 H new ATOM 0 HG3 GLN C 50 56.698 13.197 3.272 1.00 0.00 H new ATOM 0 HE21 GLN C 50 55.974 16.050 4.278 1.00 0.00 H new ATOM 0 HE22 GLN C 50 57.494 16.642 4.955 1.00 0.00 H new ATOM 781 N ASN C 51 60.202 15.656 1.542 1.00 0.00 N ATOM 782 CA ASN C 51 61.670 15.835 1.358 1.00 0.00 C ATOM 783 C ASN C 51 62.384 15.748 2.709 1.00 0.00 C ATOM 784 O ASN C 51 62.760 16.753 3.279 1.00 0.00 O ATOM 785 CB ASN C 51 61.830 17.232 0.757 1.00 0.00 C ATOM 786 CG ASN C 51 63.301 17.474 0.411 1.00 0.00 C ATOM 787 OD1 ASN C 51 63.881 18.456 0.829 1.00 0.00 O ATOM 788 ND2 ASN C 51 63.931 16.614 -0.340 1.00 0.00 N ATOM 0 H ASN C 51 59.871 15.747 2.503 1.00 0.00 H new ATOM 0 HA ASN C 51 62.102 15.066 0.718 1.00 0.00 H new ATOM 0 HB2 ASN C 51 61.215 17.327 -0.138 1.00 0.00 H new ATOM 0 HB3 ASN C 51 61.483 17.986 1.464 1.00 0.00 H new ATOM 0 HD21 ASN C 51 64.911 16.766 -0.577 1.00 0.00 H new ATOM 0 HD22 ASN C 51 63.443 15.790 -0.691 1.00 0.00 H new ATOM 795 N PRO C 52 62.544 14.540 3.178 1.00 0.00 N ATOM 796 CA PRO C 52 63.216 14.311 4.481 1.00 0.00 C ATOM 797 C PRO C 52 64.719 14.574 4.362 1.00 0.00 C ATOM 798 O PRO C 52 65.311 14.391 3.317 1.00 0.00 O ATOM 799 CB PRO C 52 62.943 12.838 4.769 1.00 0.00 C ATOM 800 CG PRO C 52 62.710 12.218 3.428 1.00 0.00 C ATOM 801 CD PRO C 52 62.119 13.286 2.546 1.00 0.00 C ATOM 0 HA PRO C 52 62.855 14.970 5.271 1.00 0.00 H new ATOM 0 HB2 PRO C 52 63.787 12.372 5.278 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.074 12.717 5.416 1.00 0.00 H new ATOM 0 HG2 PRO C 52 63.644 11.844 3.008 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.034 11.367 3.509 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.488 13.209 1.523 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.033 13.210 2.500 1.00 0.00 H new ATOM 809 N THR C 53 65.341 14.999 5.428 1.00 0.00 N ATOM 810 CA THR C 53 66.804 15.270 5.379 1.00 0.00 C ATOM 811 C THR C 53 67.571 13.968 5.137 1.00 0.00 C ATOM 812 O THR C 53 67.028 12.892 5.285 1.00 0.00 O ATOM 813 CB THR C 53 67.142 15.845 6.757 1.00 0.00 C ATOM 814 OG1 THR C 53 66.886 14.863 7.752 1.00 0.00 O ATOM 815 CG2 THR C 53 66.280 17.080 7.019 1.00 0.00 C ATOM 0 H THR C 53 64.898 15.170 6.331 1.00 0.00 H new ATOM 0 HA THR C 53 67.075 15.953 4.574 1.00 0.00 H new ATOM 0 HB THR C 53 68.194 16.127 6.788 1.00 0.00 H new ATOM 0 HG1 THR C 53 67.103 15.228 8.635 1.00 0.00 H new ATOM 0 HG21 THR C 53 66.520 17.490 8.000 1.00 0.00 H new ATOM 0 HG22 THR C 53 66.478 17.831 6.254 1.00 0.00 H new ATOM 0 HG23 THR C 53 65.227 16.801 6.990 1.00 0.00 H new ATOM 823 N PRO C 54 68.816 14.112 4.772 1.00 0.00 N ATOM 824 CA PRO C 54 69.671 12.930 4.507 1.00 0.00 C ATOM 825 C PRO C 54 70.030 12.227 5.819 1.00 0.00 C ATOM 826 O PRO C 54 70.382 11.064 5.834 1.00 0.00 O ATOM 827 CB PRO C 54 70.910 13.526 3.845 1.00 0.00 C ATOM 828 CG PRO C 54 70.960 14.943 4.322 1.00 0.00 C ATOM 829 CD PRO C 54 69.538 15.374 4.573 1.00 0.00 C ATOM 0 HA PRO C 54 69.186 12.177 3.885 1.00 0.00 H new ATOM 0 HB2 PRO C 54 71.810 12.982 4.130 1.00 0.00 H new ATOM 0 HB3 PRO C 54 70.839 13.478 2.758 1.00 0.00 H new ATOM 0 HG2 PRO C 54 71.553 15.023 5.233 1.00 0.00 H new ATOM 0 HG3 PRO C 54 71.432 15.584 3.577 1.00 0.00 H new ATOM 0 HD2 PRO C 54 69.465 16.019 5.449 1.00 0.00 H new ATOM 0 HD3 PRO C 54 69.136 15.935 3.730 1.00 0.00 H new ATOM 837 N GLU C 55 69.941 12.922 6.920 1.00 0.00 N ATOM 838 CA GLU C 55 70.273 12.288 8.228 1.00 0.00 C ATOM 839 C GLU C 55 69.123 11.384 8.680 1.00 0.00 C ATOM 840 O GLU C 55 69.329 10.380 9.332 1.00 0.00 O ATOM 841 CB GLU C 55 70.450 13.455 9.201 1.00 0.00 C ATOM 842 CG GLU C 55 71.557 14.379 8.693 1.00 0.00 C ATOM 843 CD GLU C 55 72.881 13.615 8.648 1.00 0.00 C ATOM 844 OE1 GLU C 55 73.333 13.190 9.698 1.00 0.00 O ATOM 845 OE2 GLU C 55 73.422 13.469 7.564 1.00 0.00 O ATOM 0 H GLU C 55 69.653 13.899 6.971 1.00 0.00 H new ATOM 0 HA GLU C 55 71.166 11.666 8.172 1.00 0.00 H new ATOM 0 HB2 GLU C 55 69.515 14.008 9.296 1.00 0.00 H new ATOM 0 HB3 GLU C 55 70.701 13.080 10.193 1.00 0.00 H new ATOM 0 HG2 GLU C 55 71.306 14.752 7.700 1.00 0.00 H new ATOM 0 HG3 GLU C 55 71.648 15.247 9.346 1.00 0.00 H new ATOM 852 N GLU C 56 67.914 11.730 8.334 1.00 0.00 N ATOM 853 CA GLU C 56 66.750 10.890 8.737 1.00 0.00 C ATOM 854 C GLU C 56 66.478 9.825 7.672 1.00 0.00 C ATOM 855 O GLU C 56 65.649 8.954 7.847 1.00 0.00 O ATOM 856 CB GLU C 56 65.575 11.864 8.836 1.00 0.00 C ATOM 857 CG GLU C 56 64.953 11.775 10.230 1.00 0.00 C ATOM 858 CD GLU C 56 64.589 13.179 10.716 1.00 0.00 C ATOM 859 OE1 GLU C 56 65.492 13.987 10.861 1.00 0.00 O ATOM 860 OE2 GLU C 56 63.413 13.423 10.931 1.00 0.00 O ATOM 0 H GLU C 56 67.681 12.560 7.788 1.00 0.00 H new ATOM 0 HA GLU C 56 66.922 10.364 9.676 1.00 0.00 H new ATOM 0 HB2 GLU C 56 65.915 12.881 8.643 1.00 0.00 H new ATOM 0 HB3 GLU C 56 64.829 11.628 8.078 1.00 0.00 H new ATOM 0 HG2 GLU C 56 64.063 11.146 10.204 1.00 0.00 H new ATOM 0 HG3 GLU C 56 65.653 11.309 10.923 1.00 0.00 H new ATOM 867 N LEU C 57 67.171 9.891 6.568 1.00 0.00 N ATOM 868 CA LEU C 57 66.958 8.886 5.487 1.00 0.00 C ATOM 869 C LEU C 57 67.438 7.505 5.941 1.00 0.00 C ATOM 870 O LEU C 57 66.696 6.543 5.925 1.00 0.00 O ATOM 871 CB LEU C 57 67.806 9.383 4.317 1.00 0.00 C ATOM 872 CG LEU C 57 66.894 9.878 3.194 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.751 10.328 2.010 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.968 8.744 2.750 1.00 0.00 C ATOM 0 H LEU C 57 67.877 10.599 6.367 1.00 0.00 H new ATOM 0 HA LEU C 57 65.906 8.785 5.221 1.00 0.00 H new ATOM 0 HB2 LEU C 57 68.462 10.188 4.647 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.446 8.580 3.952 1.00 0.00 H new ATOM 0 HG LEU C 57 66.295 10.715 3.552 1.00 0.00 H new ATOM 0 HD11 LEU C 57 67.105 10.682 1.207 1.00 0.00 H new ATOM 0 HD12 LEU C 57 68.413 11.135 2.326 1.00 0.00 H new ATOM 0 HD13 LEU C 57 68.347 9.489 1.653 1.00 0.00 H new ATOM 0 HD21 LEU C 57 65.318 9.097 1.949 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.565 7.907 2.390 1.00 0.00 H new ATOM 0 HD23 LEU C 57 65.360 8.419 3.594 1.00 0.00 H new ATOM 886 N GLN C 58 68.675 7.404 6.342 1.00 0.00 N ATOM 887 CA GLN C 58 69.211 6.088 6.793 1.00 0.00 C ATOM 888 C GLN C 58 68.179 5.360 7.658 1.00 0.00 C ATOM 889 O GLN C 58 67.955 4.176 7.507 1.00 0.00 O ATOM 890 CB GLN C 58 70.454 6.431 7.616 1.00 0.00 C ATOM 891 CG GLN C 58 71.630 5.575 7.144 1.00 0.00 C ATOM 892 CD GLN C 58 71.824 4.402 8.106 1.00 0.00 C ATOM 893 OE1 GLN C 58 71.778 4.572 9.309 1.00 0.00 O ATOM 894 NE2 GLN C 58 72.041 3.208 7.625 1.00 0.00 N ATOM 0 H GLN C 58 69.339 8.177 6.377 1.00 0.00 H new ATOM 0 HA GLN C 58 69.442 5.428 5.957 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.694 7.489 7.508 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.263 6.254 8.674 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.443 5.205 6.136 1.00 0.00 H new ATOM 0 HG3 GLN C 58 72.538 6.177 7.100 1.00 0.00 H new ATOM 0 HE21 GLN C 58 72.080 3.064 6.616 1.00 0.00 H new ATOM 0 HE22 GLN C 58 72.172 2.419 8.258 1.00 0.00 H new ATOM 903 N GLU C 59 67.549 6.058 8.562 1.00 0.00 N ATOM 904 CA GLU C 59 66.533 5.403 9.433 1.00 0.00 C ATOM 905 C GLU C 59 65.637 4.484 8.598 1.00 0.00 C ATOM 906 O GLU C 59 65.548 3.298 8.842 1.00 0.00 O ATOM 907 CB GLU C 59 65.721 6.552 10.031 1.00 0.00 C ATOM 908 CG GLU C 59 64.945 6.048 11.250 1.00 0.00 C ATOM 909 CD GLU C 59 64.597 7.229 12.158 1.00 0.00 C ATOM 910 OE1 GLU C 59 65.431 7.590 12.973 1.00 0.00 O ATOM 911 OE2 GLU C 59 63.505 7.753 12.022 1.00 0.00 O ATOM 0 H GLU C 59 67.694 7.053 8.735 1.00 0.00 H new ATOM 0 HA GLU C 59 66.988 4.784 10.206 1.00 0.00 H new ATOM 0 HB2 GLU C 59 66.384 7.368 10.320 1.00 0.00 H new ATOM 0 HB3 GLU C 59 65.031 6.950 9.287 1.00 0.00 H new ATOM 0 HG2 GLU C 59 64.035 5.541 10.930 1.00 0.00 H new ATOM 0 HG3 GLU C 59 65.541 5.318 11.798 1.00 0.00 H new ATOM 918 N MET C 60 64.971 5.023 7.611 1.00 0.00 N ATOM 919 CA MET C 60 64.082 4.177 6.762 1.00 0.00 C ATOM 920 C MET C 60 64.796 2.876 6.384 1.00 0.00 C ATOM 921 O MET C 60 64.260 1.796 6.535 1.00 0.00 O ATOM 922 CB MET C 60 63.808 5.017 5.516 1.00 0.00 C ATOM 923 CG MET C 60 62.996 6.254 5.904 1.00 0.00 C ATOM 924 SD MET C 60 61.336 6.137 5.189 1.00 0.00 S ATOM 925 CE MET C 60 61.836 6.141 3.450 1.00 0.00 C ATOM 0 H MET C 60 65.004 6.010 7.357 1.00 0.00 H new ATOM 0 HA MET C 60 63.162 3.898 7.276 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.748 5.316 5.052 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.263 4.427 4.779 1.00 0.00 H new ATOM 0 HG2 MET C 60 62.931 6.334 6.989 1.00 0.00 H new ATOM 0 HG3 MET C 60 63.494 7.156 5.547 1.00 0.00 H new ATOM 0 HE1 MET C 60 61.120 6.720 2.867 1.00 0.00 H new ATOM 0 HE2 MET C 60 62.826 6.588 3.357 1.00 0.00 H new ATOM 0 HE3 MET C 60 61.864 5.117 3.077 1.00 0.00 H new ATOM 935 N ILE C 61 66.000 2.973 5.894 1.00 0.00 N ATOM 936 CA ILE C 61 66.749 1.745 5.505 1.00 0.00 C ATOM 937 C ILE C 61 67.184 0.971 6.754 1.00 0.00 C ATOM 938 O ILE C 61 67.285 -0.240 6.742 1.00 0.00 O ATOM 939 CB ILE C 61 67.966 2.258 4.733 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.540 2.651 3.317 1.00 0.00 C ATOM 941 CG2 ILE C 61 69.031 1.160 4.659 1.00 0.00 C ATOM 942 CD1 ILE C 61 67.141 4.128 3.293 1.00 0.00 C ATOM 0 H ILE C 61 66.499 3.850 5.746 1.00 0.00 H new ATOM 0 HA ILE C 61 66.146 1.061 4.908 1.00 0.00 H new ATOM 0 HB ILE C 61 68.379 3.127 5.245 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.357 2.473 2.618 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.703 2.032 2.993 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.896 1.529 4.108 1.00 0.00 H new ATOM 0 HG22 ILE C 61 69.335 0.880 5.667 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.621 0.289 4.148 1.00 0.00 H new ATOM 0 HD11 ILE C 61 66.838 4.407 2.284 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.310 4.292 3.980 1.00 0.00 H new ATOM 0 HD13 ILE C 61 67.990 4.739 3.598 1.00 0.00 H new ATOM 954 N ASP C 62 67.444 1.662 7.830 1.00 0.00 N ATOM 955 CA ASP C 62 67.874 0.967 9.078 1.00 0.00 C ATOM 956 C ASP C 62 66.668 0.324 9.771 1.00 0.00 C ATOM 957 O ASP C 62 66.810 -0.573 10.577 1.00 0.00 O ATOM 958 CB ASP C 62 68.470 2.067 9.956 1.00 0.00 C ATOM 959 CG ASP C 62 69.001 1.453 11.252 1.00 0.00 C ATOM 960 OD1 ASP C 62 68.207 1.246 12.155 1.00 0.00 O ATOM 961 OD2 ASP C 62 70.192 1.199 11.320 1.00 0.00 O ATOM 0 H ASP C 62 67.378 2.677 7.900 1.00 0.00 H new ATOM 0 HA ASP C 62 68.589 0.168 8.880 1.00 0.00 H new ATOM 0 HB2 ASP C 62 69.275 2.575 9.425 1.00 0.00 H new ATOM 0 HB3 ASP C 62 67.713 2.818 10.180 1.00 0.00 H new ATOM 966 N GLU C 63 65.484 0.778 9.464 1.00 0.00 N ATOM 967 CA GLU C 63 64.272 0.194 10.108 1.00 0.00 C ATOM 968 C GLU C 63 64.137 -1.288 9.745 1.00 0.00 C ATOM 969 O GLU C 63 63.363 -2.012 10.339 1.00 0.00 O ATOM 970 CB GLU C 63 63.100 0.995 9.539 1.00 0.00 C ATOM 971 CG GLU C 63 63.134 2.418 10.098 1.00 0.00 C ATOM 972 CD GLU C 63 62.319 2.478 11.393 1.00 0.00 C ATOM 973 OE1 GLU C 63 61.127 2.722 11.308 1.00 0.00 O ATOM 974 OE2 GLU C 63 62.903 2.281 12.445 1.00 0.00 O ATOM 0 H GLU C 63 65.303 1.527 8.796 1.00 0.00 H new ATOM 0 HA GLU C 63 64.316 0.249 11.196 1.00 0.00 H new ATOM 0 HB2 GLU C 63 63.157 1.019 8.451 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.157 0.514 9.798 1.00 0.00 H new ATOM 0 HG2 GLU C 63 64.164 2.720 10.290 1.00 0.00 H new ATOM 0 HG3 GLU C 63 62.727 3.117 9.367 1.00 0.00 H new ATOM 981 N VAL C 64 64.882 -1.745 8.777 1.00 0.00 N ATOM 982 CA VAL C 64 64.789 -3.181 8.382 1.00 0.00 C ATOM 983 C VAL C 64 66.159 -3.700 7.938 1.00 0.00 C ATOM 984 O VAL C 64 66.261 -4.685 7.234 1.00 0.00 O ATOM 985 CB VAL C 64 63.801 -3.206 7.216 1.00 0.00 C ATOM 986 CG1 VAL C 64 62.434 -2.714 7.695 1.00 0.00 C ATOM 987 CG2 VAL C 64 64.307 -2.291 6.099 1.00 0.00 C ATOM 0 H VAL C 64 65.550 -1.189 8.243 1.00 0.00 H new ATOM 0 HA VAL C 64 64.464 -3.816 9.206 1.00 0.00 H new ATOM 0 HB VAL C 64 63.710 -4.225 6.839 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.729 -2.732 6.864 1.00 0.00 H new ATOM 0 HG12 VAL C 64 62.072 -3.364 8.492 1.00 0.00 H new ATOM 0 HG13 VAL C 64 62.525 -1.695 8.072 1.00 0.00 H new ATOM 0 HG21 VAL C 64 63.603 -2.309 5.267 1.00 0.00 H new ATOM 0 HG22 VAL C 64 64.398 -1.272 6.476 1.00 0.00 H new ATOM 0 HG23 VAL C 64 65.281 -2.639 5.757 1.00 0.00 H new ATOM 997 N ASP C 65 67.213 -3.045 8.343 1.00 0.00 N ATOM 998 CA ASP C 65 68.575 -3.505 7.943 1.00 0.00 C ATOM 999 C ASP C 65 69.092 -4.555 8.929 1.00 0.00 C ATOM 1000 O ASP C 65 69.745 -4.237 9.904 1.00 0.00 O ATOM 1001 CB ASP C 65 69.446 -2.250 7.988 1.00 0.00 C ATOM 1002 CG ASP C 65 70.754 -2.508 7.235 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.779 -3.423 6.428 1.00 0.00 O ATOM 1004 OD2 ASP C 65 71.707 -1.787 7.479 1.00 0.00 O ATOM 0 H ASP C 65 67.191 -2.213 8.932 1.00 0.00 H new ATOM 0 HA ASP C 65 68.580 -3.969 6.957 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.915 -1.410 7.539 1.00 0.00 H new ATOM 0 HB3 ASP C 65 69.657 -1.978 9.022 1.00 0.00 H new ATOM 1009 N GLU C 66 68.807 -5.804 8.683 1.00 0.00 N ATOM 1010 CA GLU C 66 69.284 -6.876 9.605 1.00 0.00 C ATOM 1011 C GLU C 66 70.616 -7.444 9.109 1.00 0.00 C ATOM 1012 O GLU C 66 71.051 -8.496 9.533 1.00 0.00 O ATOM 1013 CB GLU C 66 68.195 -7.949 9.564 1.00 0.00 C ATOM 1014 CG GLU C 66 67.446 -7.966 10.897 1.00 0.00 C ATOM 1015 CD GLU C 66 66.099 -8.670 10.716 1.00 0.00 C ATOM 1016 OE1 GLU C 66 66.043 -9.610 9.941 1.00 0.00 O ATOM 1017 OE2 GLU C 66 65.146 -8.257 11.357 1.00 0.00 O ATOM 0 H GLU C 66 68.264 -6.130 7.883 1.00 0.00 H new ATOM 0 HA GLU C 66 69.453 -6.506 10.616 1.00 0.00 H new ATOM 0 HB2 GLU C 66 67.502 -7.748 8.748 1.00 0.00 H new ATOM 0 HB3 GLU C 66 68.639 -8.926 9.372 1.00 0.00 H new ATOM 0 HG2 GLU C 66 68.039 -8.481 11.653 1.00 0.00 H new ATOM 0 HG3 GLU C 66 67.291 -6.947 11.253 1.00 0.00 H new ATOM 1024 N ASP C 67 71.270 -6.751 8.216 1.00 0.00 N ATOM 1025 CA ASP C 67 72.575 -7.250 7.697 1.00 0.00 C ATOM 1026 C ASP C 67 73.676 -6.235 8.007 1.00 0.00 C ATOM 1027 O ASP C 67 74.842 -6.568 8.080 1.00 0.00 O ATOM 1028 CB ASP C 67 72.385 -7.386 6.183 1.00 0.00 C ATOM 1029 CG ASP C 67 71.005 -7.976 5.883 1.00 0.00 C ATOM 1030 OD1 ASP C 67 70.706 -9.034 6.413 1.00 0.00 O ATOM 1031 OD2 ASP C 67 70.272 -7.360 5.126 1.00 0.00 O ATOM 0 H ASP C 67 70.957 -5.863 7.824 1.00 0.00 H new ATOM 0 HA ASP C 67 72.866 -8.197 8.152 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.485 -6.411 5.706 1.00 0.00 H new ATOM 0 HB3 ASP C 67 73.162 -8.026 5.766 1.00 0.00 H new ATOM 1036 N GLY C 68 73.311 -4.996 8.192 1.00 0.00 N ATOM 1037 CA GLY C 68 74.330 -3.955 8.499 1.00 0.00 C ATOM 1038 C GLY C 68 75.039 -3.534 7.210 1.00 0.00 C ATOM 1039 O GLY C 68 76.021 -2.818 7.234 1.00 0.00 O ATOM 0 H GLY C 68 72.349 -4.660 8.144 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.854 -3.091 8.963 1.00 0.00 H new ATOM 0 HA3 GLY C 68 75.055 -4.342 9.215 1.00 0.00 H new ATOM 1043 N SER C 69 74.549 -3.973 6.082 1.00 0.00 N ATOM 1044 CA SER C 69 75.196 -3.598 4.792 1.00 0.00 C ATOM 1045 C SER C 69 74.953 -2.117 4.490 1.00 0.00 C ATOM 1046 O SER C 69 75.674 -1.502 3.729 1.00 0.00 O ATOM 1047 CB SER C 69 74.519 -4.476 3.741 1.00 0.00 C ATOM 1048 OG SER C 69 73.136 -4.151 3.678 1.00 0.00 O ATOM 0 H SER C 69 73.729 -4.574 5.998 1.00 0.00 H new ATOM 0 HA SER C 69 76.276 -3.745 4.813 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.985 -4.323 2.768 1.00 0.00 H new ATOM 0 HB3 SER C 69 74.646 -5.529 3.993 1.00 0.00 H new ATOM 0 HG SER C 69 72.699 -4.711 3.003 1.00 0.00 H new ATOM 1054 N GLY C 70 73.942 -1.540 5.079 1.00 0.00 N ATOM 1055 CA GLY C 70 73.652 -0.100 4.824 1.00 0.00 C ATOM 1056 C GLY C 70 72.596 0.022 3.724 1.00 0.00 C ATOM 1057 O GLY C 70 71.724 0.868 3.778 1.00 0.00 O ATOM 0 H GLY C 70 73.304 -2.003 5.726 1.00 0.00 H new ATOM 0 HA2 GLY C 70 73.298 0.378 5.737 1.00 0.00 H new ATOM 0 HA3 GLY C 70 74.564 0.418 4.526 1.00 0.00 H new ATOM 1061 N THR C 71 72.666 -0.817 2.727 1.00 0.00 N ATOM 1062 CA THR C 71 71.665 -0.751 1.623 1.00 0.00 C ATOM 1063 C THR C 71 70.457 -1.633 1.947 1.00 0.00 C ATOM 1064 O THR C 71 70.482 -2.419 2.874 1.00 0.00 O ATOM 1065 CB THR C 71 72.403 -1.283 0.393 1.00 0.00 C ATOM 1066 OG1 THR C 71 73.012 -2.527 0.711 1.00 0.00 O ATOM 1067 CG2 THR C 71 73.477 -0.280 -0.033 1.00 0.00 C ATOM 0 H THR C 71 73.373 -1.546 2.629 1.00 0.00 H new ATOM 0 HA THR C 71 71.285 0.259 1.469 1.00 0.00 H new ATOM 0 HB THR C 71 71.696 -1.423 -0.425 1.00 0.00 H new ATOM 0 HG1 THR C 71 73.484 -2.871 -0.076 1.00 0.00 H new ATOM 0 HG21 THR C 71 74.002 -0.660 -0.909 1.00 0.00 H new ATOM 0 HG22 THR C 71 73.008 0.674 -0.276 1.00 0.00 H new ATOM 0 HG23 THR C 71 74.187 -0.138 0.782 1.00 0.00 H new ATOM 1075 N VAL C 72 69.399 -1.513 1.191 1.00 0.00 N ATOM 1076 CA VAL C 72 68.193 -2.349 1.458 1.00 0.00 C ATOM 1077 C VAL C 72 67.950 -3.313 0.293 1.00 0.00 C ATOM 1078 O VAL C 72 68.380 -3.080 -0.819 1.00 0.00 O ATOM 1079 CB VAL C 72 67.037 -1.355 1.583 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.703 -2.092 1.440 1.00 0.00 C ATOM 1081 CG2 VAL C 72 67.095 -0.678 2.955 1.00 0.00 C ATOM 0 H VAL C 72 69.318 -0.873 0.401 1.00 0.00 H new ATOM 0 HA VAL C 72 68.304 -2.957 2.356 1.00 0.00 H new ATOM 0 HB VAL C 72 67.122 -0.604 0.797 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.883 -1.380 1.530 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.658 -2.577 0.465 1.00 0.00 H new ATOM 0 HG13 VAL C 72 65.617 -2.845 2.224 1.00 0.00 H new ATOM 0 HG21 VAL C 72 66.272 0.031 3.046 1.00 0.00 H new ATOM 0 HG22 VAL C 72 67.012 -1.433 3.737 1.00 0.00 H new ATOM 0 HG23 VAL C 72 68.042 -0.149 3.060 1.00 0.00 H new ATOM 1091 N ASP C 73 67.264 -4.395 0.541 1.00 0.00 N ATOM 1092 CA ASP C 73 66.992 -5.374 -0.550 1.00 0.00 C ATOM 1093 C ASP C 73 65.492 -5.678 -0.622 1.00 0.00 C ATOM 1094 O ASP C 73 64.767 -5.491 0.333 1.00 0.00 O ATOM 1095 CB ASP C 73 67.776 -6.627 -0.157 1.00 0.00 C ATOM 1096 CG ASP C 73 68.094 -7.445 -1.410 1.00 0.00 C ATOM 1097 OD1 ASP C 73 67.828 -6.957 -2.496 1.00 0.00 O ATOM 1098 OD2 ASP C 73 68.597 -8.547 -1.263 1.00 0.00 O ATOM 0 H ASP C 73 66.880 -4.644 1.453 1.00 0.00 H new ATOM 0 HA ASP C 73 67.287 -4.998 -1.530 1.00 0.00 H new ATOM 0 HB2 ASP C 73 68.699 -6.347 0.351 1.00 0.00 H new ATOM 0 HB3 ASP C 73 67.196 -7.227 0.544 1.00 0.00 H new ATOM 1103 N PHE C 74 65.023 -6.146 -1.747 1.00 0.00 N ATOM 1104 CA PHE C 74 63.570 -6.459 -1.870 1.00 0.00 C ATOM 1105 C PHE C 74 63.106 -7.273 -0.660 1.00 0.00 C ATOM 1106 O PHE C 74 61.951 -7.243 -0.284 1.00 0.00 O ATOM 1107 CB PHE C 74 63.442 -7.281 -3.151 1.00 0.00 C ATOM 1108 CG PHE C 74 61.981 -7.417 -3.519 1.00 0.00 C ATOM 1109 CD1 PHE C 74 61.129 -6.310 -3.417 1.00 0.00 C ATOM 1110 CD2 PHE C 74 61.481 -8.648 -3.961 1.00 0.00 C ATOM 1111 CE1 PHE C 74 59.777 -6.435 -3.757 1.00 0.00 C ATOM 1112 CE2 PHE C 74 60.128 -8.772 -4.300 1.00 0.00 C ATOM 1113 CZ PHE C 74 59.276 -7.665 -4.199 1.00 0.00 C ATOM 0 H PHE C 74 65.580 -6.325 -2.583 1.00 0.00 H new ATOM 0 HA PHE C 74 62.956 -5.559 -1.906 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.989 -6.799 -3.961 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.886 -8.267 -3.009 1.00 0.00 H new ATOM 0 HD1 PHE C 74 61.515 -5.361 -3.076 1.00 0.00 H new ATOM 0 HD2 PHE C 74 62.138 -9.501 -4.040 1.00 0.00 H new ATOM 0 HE1 PHE C 74 59.120 -5.582 -3.678 1.00 0.00 H new ATOM 0 HE2 PHE C 74 59.741 -9.722 -4.639 1.00 0.00 H new ATOM 0 HZ PHE C 74 58.233 -7.760 -4.462 1.00 0.00 H new ATOM 1123 N ASP C 75 64.000 -7.998 -0.046 1.00 0.00 N ATOM 1124 CA ASP C 75 63.612 -8.813 1.139 1.00 0.00 C ATOM 1125 C ASP C 75 63.304 -7.898 2.327 1.00 0.00 C ATOM 1126 O ASP C 75 62.231 -7.943 2.896 1.00 0.00 O ATOM 1127 CB ASP C 75 64.832 -9.688 1.434 1.00 0.00 C ATOM 1128 CG ASP C 75 64.773 -10.952 0.576 1.00 0.00 C ATOM 1129 OD1 ASP C 75 64.116 -10.917 -0.451 1.00 0.00 O ATOM 1130 OD2 ASP C 75 65.385 -11.935 0.962 1.00 0.00 O ATOM 0 H ASP C 75 64.982 -8.061 -0.314 1.00 0.00 H new ATOM 0 HA ASP C 75 62.719 -9.411 0.958 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.748 -9.136 1.224 1.00 0.00 H new ATOM 0 HB3 ASP C 75 64.855 -9.954 2.491 1.00 0.00 H new ATOM 1135 N GLU C 76 64.234 -7.063 2.703 1.00 0.00 N ATOM 1136 CA GLU C 76 63.990 -6.144 3.851 1.00 0.00 C ATOM 1137 C GLU C 76 62.970 -5.073 3.458 1.00 0.00 C ATOM 1138 O GLU C 76 62.095 -4.722 4.225 1.00 0.00 O ATOM 1139 CB GLU C 76 65.349 -5.509 4.148 1.00 0.00 C ATOM 1140 CG GLU C 76 66.382 -6.610 4.395 1.00 0.00 C ATOM 1141 CD GLU C 76 67.789 -6.016 4.329 1.00 0.00 C ATOM 1142 OE1 GLU C 76 68.238 -5.493 5.335 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.395 -6.094 3.273 1.00 0.00 O ATOM 0 H GLU C 76 65.151 -6.977 2.265 1.00 0.00 H new ATOM 0 HA GLU C 76 63.587 -6.664 4.720 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.661 -4.884 3.312 1.00 0.00 H new ATOM 0 HB3 GLU C 76 65.277 -4.861 5.021 1.00 0.00 H new ATOM 0 HG2 GLU C 76 66.215 -7.068 5.370 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.274 -7.398 3.650 1.00 0.00 H new ATOM 1150 N PHE C 77 63.075 -4.553 2.266 1.00 0.00 N ATOM 1151 CA PHE C 77 62.112 -3.507 1.819 1.00 0.00 C ATOM 1152 C PHE C 77 60.674 -3.984 2.043 1.00 0.00 C ATOM 1153 O PHE C 77 59.763 -3.194 2.193 1.00 0.00 O ATOM 1154 CB PHE C 77 62.393 -3.325 0.327 1.00 0.00 C ATOM 1155 CG PHE C 77 61.288 -2.507 -0.298 1.00 0.00 C ATOM 1156 CD1 PHE C 77 61.361 -1.110 -0.286 1.00 0.00 C ATOM 1157 CD2 PHE C 77 60.194 -3.147 -0.890 1.00 0.00 C ATOM 1158 CE1 PHE C 77 60.338 -0.351 -0.867 1.00 0.00 C ATOM 1159 CE2 PHE C 77 59.170 -2.388 -1.471 1.00 0.00 C ATOM 1160 CZ PHE C 77 59.242 -0.991 -1.459 1.00 0.00 C ATOM 0 H PHE C 77 63.787 -4.808 1.581 1.00 0.00 H new ATOM 0 HA PHE C 77 62.226 -2.574 2.371 1.00 0.00 H new ATOM 0 HB2 PHE C 77 63.353 -2.828 0.185 1.00 0.00 H new ATOM 0 HB3 PHE C 77 62.462 -4.297 -0.162 1.00 0.00 H new ATOM 0 HD1 PHE C 77 62.206 -0.617 0.171 1.00 0.00 H new ATOM 0 HD2 PHE C 77 60.139 -4.226 -0.899 1.00 0.00 H new ATOM 0 HE1 PHE C 77 60.394 0.728 -0.859 1.00 0.00 H new ATOM 0 HE2 PHE C 77 58.325 -2.881 -1.928 1.00 0.00 H new ATOM 0 HZ PHE C 77 58.452 -0.406 -1.906 1.00 0.00 H new ATOM 1170 N LEU C 78 60.464 -5.273 2.068 1.00 0.00 N ATOM 1171 CA LEU C 78 59.086 -5.799 2.286 1.00 0.00 C ATOM 1172 C LEU C 78 58.671 -5.593 3.746 1.00 0.00 C ATOM 1173 O LEU C 78 57.567 -5.177 4.034 1.00 0.00 O ATOM 1174 CB LEU C 78 59.172 -7.289 1.954 1.00 0.00 C ATOM 1175 CG LEU C 78 59.157 -7.476 0.435 1.00 0.00 C ATOM 1176 CD1 LEU C 78 59.867 -8.782 0.075 1.00 0.00 C ATOM 1177 CD2 LEU C 78 57.709 -7.530 -0.060 1.00 0.00 C ATOM 0 H LEU C 78 61.186 -5.983 1.947 1.00 0.00 H new ATOM 0 HA LEU C 78 58.345 -5.290 1.670 1.00 0.00 H new ATOM 0 HB2 LEU C 78 60.084 -7.714 2.374 1.00 0.00 H new ATOM 0 HB3 LEU C 78 58.335 -7.822 2.405 1.00 0.00 H new ATOM 0 HG LEU C 78 59.671 -6.640 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU C 78 59.857 -8.916 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU C 78 60.898 -8.744 0.426 1.00 0.00 H new ATOM 0 HD13 LEU C 78 59.353 -9.618 0.549 1.00 0.00 H new ATOM 0 HD21 LEU C 78 57.699 -7.663 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU C 78 57.194 -8.366 0.413 1.00 0.00 H new ATOM 0 HD23 LEU C 78 57.202 -6.600 0.196 1.00 0.00 H new ATOM 1189 N VAL C 79 59.550 -5.875 4.669 1.00 0.00 N ATOM 1190 CA VAL C 79 59.204 -5.687 6.107 1.00 0.00 C ATOM 1191 C VAL C 79 58.734 -4.249 6.345 1.00 0.00 C ATOM 1192 O VAL C 79 57.704 -4.013 6.945 1.00 0.00 O ATOM 1193 CB VAL C 79 60.502 -5.957 6.869 1.00 0.00 C ATOM 1194 CG1 VAL C 79 60.346 -5.506 8.322 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.812 -7.455 6.833 1.00 0.00 C ATOM 0 H VAL C 79 60.491 -6.227 4.490 1.00 0.00 H new ATOM 0 HA VAL C 79 58.400 -6.348 6.430 1.00 0.00 H new ATOM 0 HB VAL C 79 61.317 -5.404 6.402 1.00 0.00 H new ATOM 0 HG11 VAL C 79 61.272 -5.699 8.864 1.00 0.00 H new ATOM 0 HG12 VAL C 79 60.125 -4.439 8.350 1.00 0.00 H new ATOM 0 HG13 VAL C 79 59.530 -6.058 8.789 1.00 0.00 H new ATOM 0 HG21 VAL C 79 61.737 -7.648 7.376 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.996 -8.007 7.299 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.924 -7.779 5.798 1.00 0.00 H new ATOM 1205 N MET C 80 59.482 -3.289 5.876 1.00 0.00 N ATOM 1206 CA MET C 80 59.082 -1.866 6.071 1.00 0.00 C ATOM 1207 C MET C 80 57.630 -1.658 5.629 1.00 0.00 C ATOM 1208 O MET C 80 56.878 -0.938 6.257 1.00 0.00 O ATOM 1209 CB MET C 80 60.035 -1.064 5.185 1.00 0.00 C ATOM 1210 CG MET C 80 60.724 0.013 6.025 1.00 0.00 C ATOM 1211 SD MET C 80 62.193 0.612 5.152 1.00 0.00 S ATOM 1212 CE MET C 80 61.429 0.792 3.521 1.00 0.00 C ATOM 0 H MET C 80 60.354 -3.428 5.365 1.00 0.00 H new ATOM 0 HA MET C 80 59.141 -1.559 7.115 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.779 -1.725 4.740 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.485 -0.604 4.364 1.00 0.00 H new ATOM 0 HG2 MET C 80 60.037 0.838 6.212 1.00 0.00 H new ATOM 0 HG3 MET C 80 61.006 -0.393 6.996 1.00 0.00 H new ATOM 0 HE1 MET C 80 62.046 1.441 2.900 1.00 0.00 H new ATOM 0 HE2 MET C 80 61.343 -0.187 3.050 1.00 0.00 H new ATOM 0 HE3 MET C 80 60.437 1.231 3.630 1.00 0.00 H new ATOM 1222 N MET C 81 57.231 -2.279 4.553 1.00 0.00 N ATOM 1223 CA MET C 81 55.828 -2.113 4.075 1.00 0.00 C ATOM 1224 C MET C 81 54.852 -2.770 5.055 1.00 0.00 C ATOM 1225 O MET C 81 53.748 -2.304 5.252 1.00 0.00 O ATOM 1226 CB MET C 81 55.787 -2.819 2.718 1.00 0.00 C ATOM 1227 CG MET C 81 55.647 -1.779 1.604 1.00 0.00 C ATOM 1228 SD MET C 81 56.903 -0.492 1.819 1.00 0.00 S ATOM 1229 CE MET C 81 56.656 0.333 0.227 1.00 0.00 C ATOM 0 H MET C 81 57.814 -2.893 3.985 1.00 0.00 H new ATOM 0 HA MET C 81 55.539 -1.065 3.998 1.00 0.00 H new ATOM 0 HB2 MET C 81 56.696 -3.403 2.573 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.951 -3.517 2.685 1.00 0.00 H new ATOM 0 HG2 MET C 81 55.762 -2.255 0.630 1.00 0.00 H new ATOM 0 HG3 MET C 81 54.651 -1.337 1.627 1.00 0.00 H new ATOM 0 HE1 MET C 81 57.524 0.953 -0.000 1.00 0.00 H new ATOM 0 HE2 MET C 81 56.530 -0.416 -0.555 1.00 0.00 H new ATOM 0 HE3 MET C 81 55.766 0.960 0.276 1.00 0.00 H new ATOM 1239 N VAL C 82 55.252 -3.847 5.673 1.00 0.00 N ATOM 1240 CA VAL C 82 54.347 -4.529 6.643 1.00 0.00 C ATOM 1241 C VAL C 82 54.088 -3.622 7.847 1.00 0.00 C ATOM 1242 O VAL C 82 53.006 -3.599 8.400 1.00 0.00 O ATOM 1243 CB VAL C 82 55.106 -5.784 7.073 1.00 0.00 C ATOM 1244 CG1 VAL C 82 54.176 -6.699 7.871 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.603 -6.524 5.830 1.00 0.00 C ATOM 0 H VAL C 82 56.165 -4.284 5.549 1.00 0.00 H new ATOM 0 HA VAL C 82 53.376 -4.767 6.208 1.00 0.00 H new ATOM 0 HB VAL C 82 55.954 -5.500 7.696 1.00 0.00 H new ATOM 0 HG11 VAL C 82 54.719 -7.593 8.176 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.818 -6.172 8.755 1.00 0.00 H new ATOM 0 HG13 VAL C 82 53.327 -6.985 7.251 1.00 0.00 H new ATOM 0 HG21 VAL C 82 56.145 -7.420 6.132 1.00 0.00 H new ATOM 0 HG22 VAL C 82 54.752 -6.807 5.210 1.00 0.00 H new ATOM 0 HG23 VAL C 82 56.267 -5.873 5.260 1.00 0.00 H new ATOM 1255 N ARG C 83 55.076 -2.875 8.256 1.00 0.00 N ATOM 1256 CA ARG C 83 54.893 -1.968 9.424 1.00 0.00 C ATOM 1257 C ARG C 83 53.685 -1.052 9.204 1.00 0.00 C ATOM 1258 O ARG C 83 53.157 -0.473 10.131 1.00 0.00 O ATOM 1259 CB ARG C 83 56.182 -1.147 9.492 1.00 0.00 C ATOM 1260 CG ARG C 83 57.373 -2.081 9.704 1.00 0.00 C ATOM 1261 CD ARG C 83 58.650 -1.255 9.876 1.00 0.00 C ATOM 1262 NE ARG C 83 58.810 -1.098 11.348 1.00 0.00 N ATOM 1263 CZ ARG C 83 59.762 -1.739 11.971 1.00 0.00 C ATOM 1264 NH1 ARG C 83 60.916 -1.918 11.390 1.00 0.00 N ATOM 1265 NH2 ARG C 83 59.558 -2.201 13.175 1.00 0.00 N ATOM 0 H ARG C 83 56.003 -2.853 7.831 1.00 0.00 H new ATOM 0 HA ARG C 83 54.708 -2.518 10.347 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.312 -0.578 8.571 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.123 -0.425 10.307 1.00 0.00 H new ATOM 0 HG2 ARG C 83 57.208 -2.702 10.584 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.476 -2.755 8.853 1.00 0.00 H new ATOM 0 HD2 ARG C 83 59.510 -1.761 9.437 1.00 0.00 H new ATOM 0 HD3 ARG C 83 58.564 -0.287 9.383 1.00 0.00 H new ATOM 0 HE ARG C 83 58.177 -0.491 11.869 1.00 0.00 H new ATOM 0 HH11 ARG C 83 61.075 -1.557 10.449 1.00 0.00 H new ATOM 0 HH12 ARG C 83 61.660 -2.419 11.876 1.00 0.00 H new ATOM 0 HH21 ARG C 83 58.655 -2.061 13.629 1.00 0.00 H new ATOM 0 HH22 ARG C 83 60.301 -2.702 13.662 1.00 0.00 H new ATOM 1279 N CYS C 84 53.246 -0.915 7.982 1.00 0.00 N ATOM 1280 CA CYS C 84 52.073 -0.034 7.708 1.00 0.00 C ATOM 1281 C CYS C 84 50.960 -0.829 7.017 1.00 0.00 C ATOM 1282 O CYS C 84 50.372 -0.379 6.053 1.00 0.00 O ATOM 1283 CB CYS C 84 52.607 1.057 6.780 1.00 0.00 C ATOM 1284 SG CYS C 84 53.160 2.473 7.765 1.00 0.00 S ATOM 0 H CYS C 84 53.647 -1.373 7.164 1.00 0.00 H new ATOM 0 HA CYS C 84 51.646 0.379 8.622 1.00 0.00 H new ATOM 0 HB2 CYS C 84 53.434 0.670 6.185 1.00 0.00 H new ATOM 0 HB3 CYS C 84 51.830 1.368 6.082 1.00 0.00 H new ATOM 0 HG CYS C 84 53.616 3.399 6.975 1.00 0.00 H new ATOM 1290 N MET C 85 50.667 -2.004 7.502 1.00 0.00 N ATOM 1291 CA MET C 85 49.590 -2.822 6.871 1.00 0.00 C ATOM 1292 C MET C 85 48.530 -3.196 7.910 1.00 0.00 C ATOM 1293 O MET C 85 47.355 -3.277 7.612 1.00 0.00 O ATOM 1294 CB MET C 85 50.295 -4.076 6.354 1.00 0.00 C ATOM 1295 CG MET C 85 50.518 -3.956 4.845 1.00 0.00 C ATOM 1296 SD MET C 85 49.299 -4.971 3.971 1.00 0.00 S ATOM 1297 CE MET C 85 49.771 -6.563 4.694 1.00 0.00 C ATOM 0 H MET C 85 51.125 -2.433 8.306 1.00 0.00 H new ATOM 0 HA MET C 85 49.078 -2.283 6.074 1.00 0.00 H new ATOM 0 HB2 MET C 85 51.250 -4.204 6.864 1.00 0.00 H new ATOM 0 HB3 MET C 85 49.695 -4.959 6.574 1.00 0.00 H new ATOM 0 HG2 MET C 85 50.429 -2.915 4.535 1.00 0.00 H new ATOM 0 HG3 MET C 85 51.527 -4.280 4.589 1.00 0.00 H new ATOM 0 HE1 MET C 85 49.471 -7.370 4.025 1.00 0.00 H new ATOM 0 HE2 MET C 85 50.851 -6.592 4.836 1.00 0.00 H new ATOM 0 HE3 MET C 85 49.275 -6.687 5.657 1.00 0.00 H new ATOM 1411 N SER I 3 54.335 6.256 3.746 1.00 0.00 N ATOM 1412 CA SER I 3 53.271 5.360 4.283 1.00 0.00 C ATOM 1413 C SER I 3 52.877 4.311 3.238 1.00 0.00 C ATOM 1414 O SER I 3 53.485 3.264 3.140 1.00 0.00 O ATOM 1415 CB SER I 3 52.095 6.284 4.591 1.00 0.00 C ATOM 1416 OG SER I 3 52.050 7.325 3.623 1.00 0.00 O ATOM 0 HA SER I 3 53.601 4.812 5.166 1.00 0.00 H new ATOM 0 HB2 SER I 3 51.162 5.720 4.580 1.00 0.00 H new ATOM 0 HB3 SER I 3 52.201 6.705 5.591 1.00 0.00 H new ATOM 0 HG SER I 3 52.955 7.501 3.290 1.00 0.00 H new ATOM 1422 N ALA I 4 51.864 4.579 2.458 1.00 0.00 N ATOM 1423 CA ALA I 4 51.438 3.589 1.427 1.00 0.00 C ATOM 1424 C ALA I 4 50.455 4.232 0.444 1.00 0.00 C ATOM 1425 O ALA I 4 50.598 4.116 -0.757 1.00 0.00 O ATOM 1426 CB ALA I 4 50.754 2.468 2.210 1.00 0.00 C ATOM 0 H ALA I 4 51.315 5.438 2.490 1.00 0.00 H new ATOM 0 HA ALA I 4 52.279 3.222 0.839 1.00 0.00 H new ATOM 0 HB1 ALA I 4 50.411 1.698 1.519 1.00 0.00 H new ATOM 0 HB2 ALA I 4 51.462 2.033 2.916 1.00 0.00 H new ATOM 0 HB3 ALA I 4 49.901 2.873 2.754 1.00 0.00 H new ATOM 1432 N ASP I 5 49.456 4.906 0.943 1.00 0.00 N ATOM 1433 CA ASP I 5 48.464 5.552 0.034 1.00 0.00 C ATOM 1434 C ASP I 5 49.096 6.750 -0.678 1.00 0.00 C ATOM 1435 O ASP I 5 48.922 6.942 -1.865 1.00 0.00 O ATOM 1436 CB ASP I 5 47.328 6.011 0.948 1.00 0.00 C ATOM 1437 CG ASP I 5 46.644 4.791 1.567 1.00 0.00 C ATOM 1438 OD1 ASP I 5 46.156 3.964 0.814 1.00 0.00 O ATOM 1439 OD2 ASP I 5 46.621 4.703 2.784 1.00 0.00 O ATOM 0 H ASP I 5 49.283 5.038 1.939 1.00 0.00 H new ATOM 0 HA ASP I 5 48.114 4.871 -0.742 1.00 0.00 H new ATOM 0 HB2 ASP I 5 47.718 6.659 1.733 1.00 0.00 H new ATOM 0 HB3 ASP I 5 46.605 6.597 0.381 1.00 0.00 H new ATOM 1444 N ALA I 6 49.828 7.559 0.038 1.00 0.00 N ATOM 1445 CA ALA I 6 50.468 8.744 -0.600 1.00 0.00 C ATOM 1446 C ALA I 6 51.599 8.300 -1.531 1.00 0.00 C ATOM 1447 O ALA I 6 52.192 9.101 -2.227 1.00 0.00 O ATOM 1448 CB ALA I 6 51.021 9.568 0.564 1.00 0.00 C ATOM 0 H ALA I 6 50.010 7.451 1.036 1.00 0.00 H new ATOM 0 HA ALA I 6 49.766 9.316 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA I 6 51.510 10.462 0.177 1.00 0.00 H new ATOM 0 HB2 ALA I 6 50.204 9.859 1.225 1.00 0.00 H new ATOM 0 HB3 ALA I 6 51.743 8.972 1.121 1.00 0.00 H new ATOM 1454 N MET I 7 51.905 7.030 -1.548 1.00 0.00 N ATOM 1455 CA MET I 7 53.001 6.541 -2.435 1.00 0.00 C ATOM 1456 C MET I 7 52.465 6.265 -3.843 1.00 0.00 C ATOM 1457 O MET I 7 53.034 6.694 -4.827 1.00 0.00 O ATOM 1458 CB MET I 7 53.491 5.244 -1.787 1.00 0.00 C ATOM 1459 CG MET I 7 55.017 5.276 -1.675 1.00 0.00 C ATOM 1460 SD MET I 7 55.674 3.603 -1.890 1.00 0.00 S ATOM 1461 CE MET I 7 56.083 3.741 -3.647 1.00 0.00 C ATOM 0 H MET I 7 51.445 6.312 -0.988 1.00 0.00 H new ATOM 0 HA MET I 7 53.801 7.274 -2.538 1.00 0.00 H new ATOM 0 HB2 MET I 7 53.045 5.127 -0.799 1.00 0.00 H new ATOM 0 HB3 MET I 7 53.177 4.386 -2.382 1.00 0.00 H new ATOM 0 HG2 MET I 7 55.434 5.942 -2.431 1.00 0.00 H new ATOM 0 HG3 MET I 7 55.313 5.672 -0.704 1.00 0.00 H new ATOM 0 HE1 MET I 7 55.944 2.774 -4.130 1.00 0.00 H new ATOM 0 HE2 MET I 7 55.431 4.478 -4.116 1.00 0.00 H new ATOM 0 HE3 MET I 7 57.121 4.055 -3.755 1.00 0.00 H new ATOM 1471 N MET I 8 51.379 5.549 -3.947 1.00 0.00 N ATOM 1472 CA MET I 8 50.812 5.244 -5.293 1.00 0.00 C ATOM 1473 C MET I 8 50.067 6.461 -5.850 1.00 0.00 C ATOM 1474 O MET I 8 49.751 6.523 -7.022 1.00 0.00 O ATOM 1475 CB MET I 8 49.844 4.083 -5.060 1.00 0.00 C ATOM 1476 CG MET I 8 50.589 2.921 -4.397 1.00 0.00 C ATOM 1477 SD MET I 8 51.738 2.182 -5.585 1.00 0.00 S ATOM 1478 CE MET I 8 53.269 2.737 -4.797 1.00 0.00 C ATOM 0 H MET I 8 50.859 5.162 -3.159 1.00 0.00 H new ATOM 0 HA MET I 8 51.587 4.993 -6.017 1.00 0.00 H new ATOM 0 HB2 MET I 8 49.017 4.407 -4.428 1.00 0.00 H new ATOM 0 HB3 MET I 8 49.413 3.759 -6.007 1.00 0.00 H new ATOM 0 HG2 MET I 8 51.133 3.276 -3.522 1.00 0.00 H new ATOM 0 HG3 MET I 8 49.878 2.172 -4.048 1.00 0.00 H new ATOM 0 HE1 MET I 8 54.079 2.055 -5.055 1.00 0.00 H new ATOM 0 HE2 MET I 8 53.514 3.740 -5.145 1.00 0.00 H new ATOM 0 HE3 MET I 8 53.137 2.751 -3.715 1.00 0.00 H new ATOM 1488 N GLN I 9 49.786 7.431 -5.023 1.00 0.00 N ATOM 1489 CA GLN I 9 49.062 8.641 -5.511 1.00 0.00 C ATOM 1490 C GLN I 9 50.040 9.610 -6.182 1.00 0.00 C ATOM 1491 O GLN I 9 49.752 10.185 -7.212 1.00 0.00 O ATOM 1492 CB GLN I 9 48.456 9.274 -4.259 1.00 0.00 C ATOM 1493 CG GLN I 9 47.568 10.454 -4.661 1.00 0.00 C ATOM 1494 CD GLN I 9 46.152 10.230 -4.128 1.00 0.00 C ATOM 1495 OE1 GLN I 9 45.832 10.639 -3.029 1.00 0.00 O ATOM 1496 NE2 GLN I 9 45.284 9.594 -4.865 1.00 0.00 N ATOM 0 H GLN I 9 50.026 7.439 -4.032 1.00 0.00 H new ATOM 0 HA GLN I 9 48.301 8.394 -6.252 1.00 0.00 H new ATOM 0 HB2 GLN I 9 47.871 8.535 -3.712 1.00 0.00 H new ATOM 0 HB3 GLN I 9 49.248 9.612 -3.590 1.00 0.00 H new ATOM 0 HG2 GLN I 9 47.976 11.383 -4.262 1.00 0.00 H new ATOM 0 HG3 GLN I 9 47.548 10.555 -5.746 1.00 0.00 H new ATOM 0 HE21 GLN I 9 45.552 9.251 -5.787 1.00 0.00 H new ATOM 0 HE22 GLN I 9 44.337 9.440 -4.519 1.00 0.00 H new ATOM 1505 N ALA I 10 51.195 9.794 -5.603 1.00 0.00 N ATOM 1506 CA ALA I 10 52.191 10.725 -6.206 1.00 0.00 C ATOM 1507 C ALA I 10 52.892 10.050 -7.386 1.00 0.00 C ATOM 1508 O ALA I 10 53.186 10.673 -8.386 1.00 0.00 O ATOM 1509 CB ALA I 10 53.191 11.012 -5.086 1.00 0.00 C ATOM 0 H ALA I 10 51.492 9.340 -4.739 1.00 0.00 H new ATOM 0 HA ALA I 10 51.730 11.637 -6.586 1.00 0.00 H new ATOM 0 HB1 ALA I 10 53.960 11.693 -5.451 1.00 0.00 H new ATOM 0 HB2 ALA I 10 52.672 11.468 -4.243 1.00 0.00 H new ATOM 0 HB3 ALA I 10 53.655 10.079 -4.765 1.00 0.00 H new ATOM 1515 N LEU I 11 53.161 8.781 -7.274 1.00 0.00 N ATOM 1516 CA LEU I 11 53.845 8.060 -8.383 1.00 0.00 C ATOM 1517 C LEU I 11 53.407 6.596 -8.404 1.00 0.00 C ATOM 1518 O LEU I 11 52.553 6.184 -7.644 1.00 0.00 O ATOM 1519 CB LEU I 11 55.338 8.169 -8.063 1.00 0.00 C ATOM 1520 CG LEU I 11 55.588 7.705 -6.625 1.00 0.00 C ATOM 1521 CD1 LEU I 11 56.124 6.273 -6.638 1.00 0.00 C ATOM 1522 CD2 LEU I 11 56.616 8.624 -5.960 1.00 0.00 C ATOM 0 H LEU I 11 52.936 8.209 -6.460 1.00 0.00 H new ATOM 0 HA LEU I 11 53.606 8.479 -9.361 1.00 0.00 H new ATOM 0 HB2 LEU I 11 55.915 7.560 -8.758 1.00 0.00 H new ATOM 0 HB3 LEU I 11 55.673 9.199 -8.188 1.00 0.00 H new ATOM 0 HG LEU I 11 54.653 7.741 -6.066 1.00 0.00 H new ATOM 0 HD11 LEU I 11 56.302 5.942 -5.615 1.00 0.00 H new ATOM 0 HD12 LEU I 11 55.394 5.616 -7.110 1.00 0.00 H new ATOM 0 HD13 LEU I 11 57.058 6.239 -7.198 1.00 0.00 H new ATOM 0 HD21 LEU I 11 56.793 8.292 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU I 11 57.551 8.589 -6.519 1.00 0.00 H new ATOM 0 HD23 LEU I 11 56.237 9.646 -5.950 1.00 0.00 H new ATOM 1534 N LEU I 12 53.987 5.804 -9.263 1.00 0.00 N ATOM 1535 CA LEU I 12 53.606 4.363 -9.323 1.00 0.00 C ATOM 1536 C LEU I 12 52.102 4.223 -9.585 1.00 0.00 C ATOM 1537 O LEU I 12 51.390 5.199 -9.708 1.00 0.00 O ATOM 1538 CB LEU I 12 53.959 3.812 -7.938 1.00 0.00 C ATOM 1539 CG LEU I 12 55.417 3.325 -7.895 1.00 0.00 C ATOM 1540 CD1 LEU I 12 56.305 4.179 -8.810 1.00 0.00 C ATOM 1541 CD2 LEU I 12 55.933 3.427 -6.457 1.00 0.00 C ATOM 0 H LEU I 12 54.707 6.091 -9.926 1.00 0.00 H new ATOM 0 HA LEU I 12 54.119 3.830 -10.124 1.00 0.00 H new ATOM 0 HB2 LEU I 12 53.808 4.586 -7.185 1.00 0.00 H new ATOM 0 HB3 LEU I 12 53.289 2.989 -7.688 1.00 0.00 H new ATOM 0 HG LEU I 12 55.453 2.292 -8.241 1.00 0.00 H new ATOM 0 HD11 LEU I 12 57.332 3.816 -8.763 1.00 0.00 H new ATOM 0 HD12 LEU I 12 55.943 4.111 -9.836 1.00 0.00 H new ATOM 0 HD13 LEU I 12 56.272 5.218 -8.482 1.00 0.00 H new ATOM 0 HD21 LEU I 12 56.967 3.084 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU I 12 55.882 4.464 -6.125 1.00 0.00 H new ATOM 0 HD23 LEU I 12 55.319 2.806 -5.805 1.00 0.00 H new