USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 800 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 37 LYS NZ :NH3+ 142:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 48 ASN : amide:sc= 1.5 K(o=2.7,f=-4.9!) USER MOD Set 2.1: A 11 CYS SG : rot 172:sc= -3.69! USER MOD Set 2.2: A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 17 HIS : no HD1:sc= -2.45! C(o=-6.1!,f=-19!) USER MOD Single : A 3 LYS NZ :NH3+ 176:sc= 0.781 (180deg=0.75) USER MOD Single : A 4 LYS NZ :NH3+ 137:sc= 1.75 (180deg=-0.159) USER MOD Single : A 9 CYS SG : rot 40:sc= -0.627 USER MOD Single : A 18 THR OG1 : rot -21:sc= 0.287 USER MOD Single : A 20 MET CE :methyl -133:sc= -0.542 (180deg=-2.21) USER MOD Single : A 23 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.0079) USER MOD Single : A 34 TYR OH : rot -78:sc= -1.92 USER MOD Single : A 40 THR OG1 : rot -140:sc= -1.1 USER MOD Single : A 41 GLN : amide:sc= -4.71! C(o=-4.7!,f=-4.4!) USER MOD Single : A 47 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.013) USER MOD Single : A 51 THR OG1 : rot -58:sc= 0.496 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.182 F(o=-1.6!,f=-0.18) USER MOD Single : A 59 THR OG1 : rot -140:sc= 0.00145 USER MOD Single : A 63 HIS : no HD1:sc= -0.134 K(o=-0.13,f=-1.9!) USER MOD Single : A 64 SER OG : rot 80:sc= -2.07! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.577 K(o=0.58,f=-0.024) USER MOD Single : A 77 SER OG : rot -31:sc= 0.159 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.994 K(o=-0.99,f=-1.6) USER MOD Single : A 97 LYS NZ :NH3+ 141:sc= 1.1 (180deg=0.332) USER MOD Single : A 102 MET CE :methyl -172:sc= -1.63 (180deg=-1.81) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.518 K(o=-0.52,f=-4.4!) USER MOD Single : A 108 GLN : amide:sc= -0.0769 X(o=-0.077,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 3 7.509 -1.653 -1.615 1.00 0.00 N ATOM 30 CA LYS A 3 8.847 -1.097 -1.312 1.00 0.00 C ATOM 31 C LYS A 3 9.931 -1.853 -2.110 1.00 0.00 C ATOM 32 O LYS A 3 9.619 -2.645 -3.020 1.00 0.00 O ATOM 33 CB LYS A 3 9.095 -1.146 0.241 1.00 0.00 C ATOM 34 CG LYS A 3 8.221 -2.157 1.019 1.00 0.00 C ATOM 35 CD LYS A 3 8.492 -2.151 2.541 1.00 0.00 C ATOM 36 CE LYS A 3 7.737 -3.280 3.256 1.00 0.00 C ATOM 37 NZ LYS A 3 7.975 -3.291 4.721 1.00 0.00 N ATOM 0 HA LYS A 3 8.898 -0.053 -1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.143 -1.386 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.923 -0.151 0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.170 -1.930 0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.400 -3.159 0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.562 -2.258 2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.193 -1.190 2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.669 -3.174 3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.042 -4.238 2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.390 -4.029 5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.979 -3.487 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.723 -2.364 5.121 1.00 0.00 H new ATOM 51 N LYS A 4 11.210 -1.624 -1.752 1.00 0.00 N ATOM 52 CA LYS A 4 12.357 -2.246 -2.446 1.00 0.00 C ATOM 53 C LYS A 4 13.488 -2.547 -1.420 1.00 0.00 C ATOM 54 O LYS A 4 13.707 -1.791 -0.473 1.00 0.00 O ATOM 55 CB LYS A 4 12.838 -1.291 -3.603 1.00 0.00 C ATOM 56 CG LYS A 4 13.419 -1.972 -4.869 1.00 0.00 C ATOM 57 CD LYS A 4 14.763 -2.682 -4.643 1.00 0.00 C ATOM 58 CE LYS A 4 15.268 -3.440 -5.882 1.00 0.00 C ATOM 59 NZ LYS A 4 15.362 -2.572 -7.074 1.00 0.00 N ATOM 0 H LYS A 4 11.476 -1.010 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 4 12.066 -3.195 -2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.994 -0.671 -3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.596 -0.621 -3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.696 -2.698 -5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.545 -1.219 -5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.510 -1.945 -4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.661 -3.382 -3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.248 -3.867 -5.669 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.597 -4.272 -6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.250 -2.770 -7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.557 -2.760 -7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.346 -1.575 -6.779 1.00 0.00 H new ATOM 73 N LEU A 5 14.187 -3.665 -1.631 1.00 0.00 N ATOM 74 CA LEU A 5 15.363 -4.086 -0.852 1.00 0.00 C ATOM 75 C LEU A 5 16.464 -4.437 -1.837 1.00 0.00 C ATOM 76 O LEU A 5 16.215 -5.094 -2.852 1.00 0.00 O ATOM 77 CB LEU A 5 15.036 -5.313 0.053 1.00 0.00 C ATOM 78 CG LEU A 5 16.215 -5.904 0.944 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.696 -6.495 2.265 1.00 0.00 C ATOM 80 CD2 LEU A 5 17.054 -6.990 0.217 1.00 0.00 C ATOM 0 H LEU A 5 13.946 -4.325 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 5 15.676 -3.277 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.220 -5.032 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.664 -6.113 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 5 16.861 -5.049 1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.533 -6.887 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.193 -5.717 2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.993 -7.301 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.839 -7.349 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.408 -7.822 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.504 -6.563 -0.679 1.00 0.00 H new ATOM 92 N ILE A 6 17.680 -3.999 -1.549 1.00 0.00 N ATOM 93 CA ILE A 6 18.869 -4.419 -2.287 1.00 0.00 C ATOM 94 C ILE A 6 19.896 -4.940 -1.286 1.00 0.00 C ATOM 95 O ILE A 6 19.814 -4.643 -0.087 1.00 0.00 O ATOM 96 CB ILE A 6 19.475 -3.261 -3.163 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.139 -2.159 -2.291 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.395 -2.656 -4.089 1.00 0.00 C ATOM 99 CD1 ILE A 6 20.797 -1.051 -3.080 1.00 0.00 C ATOM 0 H ILE A 6 17.874 -3.340 -0.795 1.00 0.00 H new ATOM 0 HA ILE A 6 18.587 -5.207 -2.985 1.00 0.00 H new ATOM 0 HB ILE A 6 20.259 -3.696 -3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.382 -1.724 -1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 6 20.886 -2.623 -1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.834 -1.857 -4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.006 -3.431 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.582 -2.253 -3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.234 -0.326 -2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.580 -1.470 -3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.052 -0.557 -3.704 1.00 0.00 H new ATOM 111 N ALA A 7 20.842 -5.733 -1.774 1.00 0.00 N ATOM 112 CA ALA A 7 21.937 -6.265 -0.958 1.00 0.00 C ATOM 113 C ALA A 7 23.184 -6.455 -1.814 1.00 0.00 C ATOM 114 O ALA A 7 23.119 -6.415 -3.043 1.00 0.00 O ATOM 115 CB ALA A 7 21.524 -7.575 -0.257 1.00 0.00 C ATOM 0 H ALA A 7 20.875 -6.029 -2.750 1.00 0.00 H new ATOM 0 HA ALA A 7 22.169 -5.544 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.357 -7.946 0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.668 -7.387 0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.255 -8.320 -1.006 1.00 0.00 H new ATOM 121 N LEU A 8 24.323 -6.661 -1.154 1.00 0.00 N ATOM 122 CA LEU A 8 25.607 -6.839 -1.822 1.00 0.00 C ATOM 123 C LEU A 8 26.361 -7.949 -1.090 1.00 0.00 C ATOM 124 O LEU A 8 26.753 -7.785 0.070 1.00 0.00 O ATOM 125 CB LEU A 8 26.417 -5.504 -1.831 1.00 0.00 C ATOM 126 CG LEU A 8 27.475 -5.322 -2.974 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.088 -3.910 -2.943 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.585 -6.396 -2.933 1.00 0.00 C ATOM 0 H LEU A 8 24.379 -6.709 -0.137 1.00 0.00 H new ATOM 0 HA LEU A 8 25.460 -7.120 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.708 -4.678 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.932 -5.414 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 8 26.939 -5.450 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.818 -3.813 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.300 -3.168 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.580 -3.748 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.290 -6.222 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.110 -6.340 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.139 -7.384 -3.044 1.00 0.00 H new ATOM 140 N CYS A 9 26.533 -9.071 -1.779 1.00 0.00 N ATOM 141 CA CYS A 9 27.308 -10.203 -1.303 1.00 0.00 C ATOM 142 C CYS A 9 28.701 -10.175 -1.949 1.00 0.00 C ATOM 143 O CYS A 9 28.813 -10.321 -3.164 1.00 0.00 O ATOM 144 CB CYS A 9 26.546 -11.496 -1.627 1.00 0.00 C ATOM 145 SG CYS A 9 24.877 -11.540 -0.929 1.00 0.00 S ATOM 0 H CYS A 9 26.128 -9.219 -2.703 1.00 0.00 H new ATOM 0 HA CYS A 9 27.446 -10.153 -0.223 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.482 -11.610 -2.709 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.112 -12.347 -1.249 1.00 0.00 H new ATOM 0 HG CYS A 9 24.328 -10.367 -1.043 1.00 0.00 H new ATOM 151 N ALA A 10 29.763 -9.971 -1.143 1.00 0.00 N ATOM 152 CA ALA A 10 31.159 -9.905 -1.652 1.00 0.00 C ATOM 153 C ALA A 10 32.095 -10.806 -0.828 1.00 0.00 C ATOM 154 O ALA A 10 32.180 -10.667 0.389 1.00 0.00 O ATOM 155 CB ALA A 10 31.681 -8.460 -1.684 1.00 0.00 C ATOM 0 H ALA A 10 29.686 -9.848 -0.133 1.00 0.00 H new ATOM 0 HA ALA A 10 31.148 -10.276 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.704 -8.451 -2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.048 -7.859 -2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.662 -8.044 -0.677 1.00 0.00 H new ATOM 161 N CYS A 11 32.773 -11.751 -1.505 1.00 0.00 N ATOM 162 CA CYS A 11 33.737 -12.680 -0.879 1.00 0.00 C ATOM 163 C CYS A 11 35.016 -12.786 -1.727 1.00 0.00 C ATOM 164 O CYS A 11 34.946 -12.697 -2.958 1.00 0.00 O ATOM 165 CB CYS A 11 33.112 -14.092 -0.645 1.00 0.00 C ATOM 166 SG CYS A 11 32.471 -14.322 1.025 1.00 0.00 S ATOM 0 H CYS A 11 32.668 -11.894 -2.509 1.00 0.00 H new ATOM 0 HA CYS A 11 33.999 -12.272 0.097 1.00 0.00 H new ATOM 0 HB2 CYS A 11 32.305 -14.247 -1.361 1.00 0.00 H new ATOM 0 HB3 CYS A 11 33.866 -14.853 -0.845 1.00 0.00 H new ATOM 0 HG CYS A 11 31.827 -15.449 1.091 1.00 0.00 H new ATOM 172 N PRO A 12 36.200 -13.009 -1.068 1.00 0.00 N ATOM 173 CA PRO A 12 37.478 -13.265 -1.778 1.00 0.00 C ATOM 174 C PRO A 12 37.567 -14.731 -2.260 1.00 0.00 C ATOM 175 O PRO A 12 38.432 -15.079 -3.073 1.00 0.00 O ATOM 176 CB PRO A 12 38.536 -12.944 -0.692 1.00 0.00 C ATOM 177 CG PRO A 12 37.873 -13.300 0.612 1.00 0.00 C ATOM 178 CD PRO A 12 36.385 -13.045 0.422 1.00 0.00 C ATOM 0 HA PRO A 12 37.604 -12.671 -2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.446 -13.524 -0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.821 -11.892 -0.716 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.058 -14.343 0.870 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.270 -12.695 1.427 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.785 -13.833 0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.081 -12.105 0.883 1.00 0.00 H new ATOM 186 N MET A 13 36.634 -15.558 -1.738 1.00 0.00 N ATOM 187 CA MET A 13 36.485 -16.981 -2.072 1.00 0.00 C ATOM 188 C MET A 13 36.070 -17.128 -3.544 1.00 0.00 C ATOM 189 O MET A 13 36.592 -17.982 -4.263 1.00 0.00 O ATOM 190 CB MET A 13 35.411 -17.627 -1.139 1.00 0.00 C ATOM 191 CG MET A 13 35.622 -17.358 0.359 1.00 0.00 C ATOM 192 SD MET A 13 34.294 -18.037 1.373 1.00 0.00 S ATOM 193 CE MET A 13 34.673 -17.357 2.988 1.00 0.00 C ATOM 0 H MET A 13 35.948 -15.239 -1.054 1.00 0.00 H new ATOM 0 HA MET A 13 37.436 -17.492 -1.924 1.00 0.00 H new ATOM 0 HB2 MET A 13 34.428 -17.255 -1.427 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.405 -18.704 -1.304 1.00 0.00 H new ATOM 0 HG2 MET A 13 36.572 -17.790 0.673 1.00 0.00 H new ATOM 0 HG3 MET A 13 35.690 -16.283 0.526 1.00 0.00 H new ATOM 0 HE1 MET A 13 33.930 -17.697 3.710 1.00 0.00 H new ATOM 0 HE2 MET A 13 35.662 -17.691 3.301 1.00 0.00 H new ATOM 0 HE3 MET A 13 34.657 -16.268 2.937 1.00 0.00 H new ATOM 203 N GLY A 14 35.130 -16.261 -3.971 1.00 0.00 N ATOM 204 CA GLY A 14 34.613 -16.251 -5.339 1.00 0.00 C ATOM 205 C GLY A 14 33.121 -15.960 -5.381 1.00 0.00 C ATOM 206 O GLY A 14 32.486 -15.753 -4.328 1.00 0.00 O ATOM 0 H GLY A 14 34.713 -15.550 -3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 14 35.146 -15.500 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.808 -17.216 -5.807 1.00 0.00 H new ATOM 210 N LEU A 15 32.552 -15.974 -6.598 1.00 0.00 N ATOM 211 CA LEU A 15 31.132 -15.668 -6.827 1.00 0.00 C ATOM 212 C LEU A 15 30.197 -16.797 -6.362 1.00 0.00 C ATOM 213 O LEU A 15 29.049 -16.527 -6.038 1.00 0.00 O ATOM 214 CB LEU A 15 30.865 -15.307 -8.319 1.00 0.00 C ATOM 215 CG LEU A 15 31.324 -13.879 -8.769 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.962 -13.595 -10.251 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.738 -12.793 -7.835 1.00 0.00 C ATOM 0 H LEU A 15 33.065 -16.198 -7.451 1.00 0.00 H new ATOM 0 HA LEU A 15 30.903 -14.796 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.367 -16.044 -8.946 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.796 -15.401 -8.510 1.00 0.00 H new ATOM 0 HG LEU A 15 32.411 -13.846 -8.692 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.298 -12.594 -10.522 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.451 -14.328 -10.892 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.882 -13.663 -10.381 1.00 0.00 H new ATOM 0 HD21 LEU A 15 31.070 -11.809 -8.167 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.649 -12.837 -7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 15 31.081 -12.967 -6.815 1.00 0.00 H new ATOM 229 N ALA A 16 30.687 -18.042 -6.307 1.00 0.00 N ATOM 230 CA ALA A 16 29.878 -19.199 -5.864 1.00 0.00 C ATOM 231 C ALA A 16 29.366 -18.998 -4.417 1.00 0.00 C ATOM 232 O ALA A 16 28.190 -19.256 -4.111 1.00 0.00 O ATOM 233 CB ALA A 16 30.699 -20.485 -5.983 1.00 0.00 C ATOM 0 H ALA A 16 31.645 -18.281 -6.564 1.00 0.00 H new ATOM 0 HA ALA A 16 29.005 -19.282 -6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 16 30.097 -21.333 -5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 16 30.997 -20.632 -7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.588 -20.408 -5.358 1.00 0.00 H new ATOM 239 N HIS A 17 30.261 -18.480 -3.556 1.00 0.00 N ATOM 240 CA HIS A 17 29.957 -18.203 -2.145 1.00 0.00 C ATOM 241 C HIS A 17 28.938 -17.052 -2.034 1.00 0.00 C ATOM 242 O HIS A 17 27.966 -17.118 -1.250 1.00 0.00 O ATOM 243 CB HIS A 17 31.268 -17.851 -1.388 1.00 0.00 C ATOM 244 CG HIS A 17 31.198 -18.050 0.105 1.00 0.00 C ATOM 245 ND1 HIS A 17 31.111 -17.018 1.010 1.00 0.00 N ATOM 246 CD2 HIS A 17 31.214 -19.184 0.847 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.073 -17.507 2.234 1.00 0.00 C ATOM 248 NE2 HIS A 17 31.142 -18.812 2.155 1.00 0.00 N ATOM 0 H HIS A 17 31.216 -18.242 -3.822 1.00 0.00 H new ATOM 0 HA HIS A 17 29.517 -19.091 -1.691 1.00 0.00 H new ATOM 0 HB2 HIS A 17 32.078 -18.462 -1.786 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.523 -16.811 -1.592 1.00 0.00 H new ATOM 0 HD2 HIS A 17 31.273 -20.195 0.471 1.00 0.00 H new ATOM 0 HE1 HIS A 17 30.998 -16.931 3.144 1.00 0.00 H new ATOM 0 HE2 HIS A 17 31.142 -19.451 2.950 1.00 0.00 H new ATOM 257 N THR A 18 29.159 -16.011 -2.862 1.00 0.00 N ATOM 258 CA THR A 18 28.302 -14.822 -2.893 1.00 0.00 C ATOM 259 C THR A 18 26.890 -15.165 -3.411 1.00 0.00 C ATOM 260 O THR A 18 25.917 -14.533 -3.009 1.00 0.00 O ATOM 261 CB THR A 18 28.929 -13.681 -3.767 1.00 0.00 C ATOM 262 OG1 THR A 18 28.968 -14.040 -5.146 1.00 0.00 O ATOM 263 CG2 THR A 18 30.353 -13.331 -3.330 1.00 0.00 C ATOM 0 H THR A 18 29.935 -15.976 -3.523 1.00 0.00 H new ATOM 0 HA THR A 18 28.221 -14.462 -1.867 1.00 0.00 H new ATOM 0 HB THR A 18 28.284 -12.814 -3.623 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.915 -15.015 -5.232 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.744 -12.536 -3.965 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.343 -12.995 -2.293 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.988 -14.212 -3.420 1.00 0.00 H new ATOM 271 N PHE A 19 26.804 -16.180 -4.298 1.00 0.00 N ATOM 272 CA PHE A 19 25.532 -16.646 -4.872 1.00 0.00 C ATOM 273 C PHE A 19 24.689 -17.382 -3.817 1.00 0.00 C ATOM 274 O PHE A 19 23.462 -17.329 -3.869 1.00 0.00 O ATOM 275 CB PHE A 19 25.758 -17.565 -6.106 1.00 0.00 C ATOM 276 CG PHE A 19 26.322 -16.889 -7.364 1.00 0.00 C ATOM 277 CD1 PHE A 19 26.114 -15.530 -7.617 1.00 0.00 C ATOM 278 CD2 PHE A 19 27.056 -17.625 -8.302 1.00 0.00 C ATOM 279 CE1 PHE A 19 26.619 -14.935 -8.757 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.558 -17.026 -9.443 1.00 0.00 C ATOM 281 CZ PHE A 19 27.340 -15.681 -9.669 1.00 0.00 C ATOM 0 H PHE A 19 27.617 -16.697 -4.633 1.00 0.00 H new ATOM 0 HA PHE A 19 24.989 -15.761 -5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.436 -18.367 -5.815 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.807 -18.030 -6.365 1.00 0.00 H new ATOM 0 HD1 PHE A 19 25.551 -14.937 -6.912 1.00 0.00 H new ATOM 0 HD2 PHE A 19 27.233 -18.677 -8.132 1.00 0.00 H new ATOM 0 HE1 PHE A 19 26.450 -13.883 -8.936 1.00 0.00 H new ATOM 0 HE2 PHE A 19 28.120 -17.610 -10.157 1.00 0.00 H new ATOM 0 HZ PHE A 19 27.733 -15.212 -10.559 1.00 0.00 H new ATOM 291 N MET A 20 25.358 -18.080 -2.872 1.00 0.00 N ATOM 292 CA MET A 20 24.657 -18.761 -1.753 1.00 0.00 C ATOM 293 C MET A 20 23.983 -17.730 -0.823 1.00 0.00 C ATOM 294 O MET A 20 22.862 -17.949 -0.341 1.00 0.00 O ATOM 295 CB MET A 20 25.621 -19.681 -0.951 1.00 0.00 C ATOM 296 CG MET A 20 26.314 -20.758 -1.802 1.00 0.00 C ATOM 297 SD MET A 20 27.172 -22.024 -0.833 1.00 0.00 S ATOM 298 CE MET A 20 28.266 -21.045 0.193 1.00 0.00 C ATOM 0 H MET A 20 26.372 -18.188 -2.858 1.00 0.00 H new ATOM 0 HA MET A 20 23.882 -19.394 -2.185 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.383 -19.064 -0.475 1.00 0.00 H new ATOM 0 HB3 MET A 20 25.061 -20.168 -0.153 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.569 -21.242 -2.434 1.00 0.00 H new ATOM 0 HG3 MET A 20 27.031 -20.276 -2.466 1.00 0.00 H new ATOM 0 HE1 MET A 20 29.268 -21.474 0.170 1.00 0.00 H new ATOM 0 HE2 MET A 20 28.300 -20.023 -0.184 1.00 0.00 H new ATOM 0 HE3 MET A 20 27.897 -21.041 1.219 1.00 0.00 H new ATOM 308 N ALA A 21 24.682 -16.602 -0.585 1.00 0.00 N ATOM 309 CA ALA A 21 24.125 -15.466 0.188 1.00 0.00 C ATOM 310 C ALA A 21 23.037 -14.727 -0.606 1.00 0.00 C ATOM 311 O ALA A 21 22.035 -14.286 -0.034 1.00 0.00 O ATOM 312 CB ALA A 21 25.239 -14.499 0.582 1.00 0.00 C ATOM 0 H ALA A 21 25.635 -16.450 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 21 23.666 -15.869 1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 21 24.817 -13.669 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 21 25.974 -15.021 1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.723 -14.116 -0.316 1.00 0.00 H new ATOM 318 N ALA A 22 23.258 -14.606 -1.931 1.00 0.00 N ATOM 319 CA ALA A 22 22.329 -13.940 -2.856 1.00 0.00 C ATOM 320 C ALA A 22 21.005 -14.696 -2.933 1.00 0.00 C ATOM 321 O ALA A 22 19.953 -14.084 -2.993 1.00 0.00 O ATOM 322 CB ALA A 22 22.960 -13.801 -4.252 1.00 0.00 C ATOM 0 H ALA A 22 24.093 -14.972 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 22 22.125 -12.940 -2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.257 -13.306 -4.922 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.872 -13.209 -4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.199 -14.790 -4.643 1.00 0.00 H new ATOM 328 N GLN A 23 21.082 -16.032 -2.914 1.00 0.00 N ATOM 329 CA GLN A 23 19.901 -16.902 -2.960 1.00 0.00 C ATOM 330 C GLN A 23 19.104 -16.784 -1.650 1.00 0.00 C ATOM 331 O GLN A 23 17.879 -16.627 -1.671 1.00 0.00 O ATOM 332 CB GLN A 23 20.332 -18.372 -3.217 1.00 0.00 C ATOM 333 CG GLN A 23 19.172 -19.400 -3.250 1.00 0.00 C ATOM 334 CD GLN A 23 18.065 -19.092 -4.272 1.00 0.00 C ATOM 335 OE1 GLN A 23 16.904 -19.420 -4.043 1.00 0.00 O ATOM 336 NE2 GLN A 23 18.405 -18.504 -5.414 1.00 0.00 N ATOM 0 H GLN A 23 21.965 -16.540 -2.866 1.00 0.00 H new ATOM 0 HA GLN A 23 19.257 -16.586 -3.780 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.865 -18.418 -4.167 1.00 0.00 H new ATOM 0 HB3 GLN A 23 21.038 -18.668 -2.441 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.585 -20.385 -3.468 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.725 -19.454 -2.257 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.376 -18.240 -5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.695 -18.316 -6.122 1.00 0.00 H new ATOM 345 N ALA A 24 19.838 -16.829 -0.521 1.00 0.00 N ATOM 346 CA ALA A 24 19.259 -16.780 0.827 1.00 0.00 C ATOM 347 C ALA A 24 18.466 -15.476 1.049 1.00 0.00 C ATOM 348 O ALA A 24 17.262 -15.512 1.351 1.00 0.00 O ATOM 349 CB ALA A 24 20.384 -16.948 1.870 1.00 0.00 C ATOM 0 H ALA A 24 20.855 -16.901 -0.524 1.00 0.00 H new ATOM 0 HA ALA A 24 18.549 -17.599 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.959 -16.912 2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.879 -17.907 1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 24 21.110 -16.143 1.755 1.00 0.00 H new ATOM 355 N LEU A 25 19.148 -14.330 0.871 1.00 0.00 N ATOM 356 CA LEU A 25 18.547 -12.997 1.073 1.00 0.00 C ATOM 357 C LEU A 25 17.413 -12.723 0.072 1.00 0.00 C ATOM 358 O LEU A 25 16.469 -12.003 0.394 1.00 0.00 O ATOM 359 CB LEU A 25 19.613 -11.883 0.952 1.00 0.00 C ATOM 360 CG LEU A 25 20.703 -11.845 2.060 1.00 0.00 C ATOM 361 CD1 LEU A 25 21.756 -10.763 1.747 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.085 -11.626 3.466 1.00 0.00 C ATOM 0 H LEU A 25 20.126 -14.300 0.585 1.00 0.00 H new ATOM 0 HA LEU A 25 18.130 -12.992 2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.110 -11.989 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.102 -10.920 0.943 1.00 0.00 H new ATOM 0 HG LEU A 25 21.197 -12.816 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.511 -10.751 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.231 -10.984 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.271 -9.788 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.878 -11.605 4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.546 -10.679 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.396 -12.440 3.691 1.00 0.00 H new ATOM 374 N GLU A 26 17.529 -13.282 -1.149 1.00 0.00 N ATOM 375 CA GLU A 26 16.523 -13.088 -2.207 1.00 0.00 C ATOM 376 C GLU A 26 15.169 -13.647 -1.756 1.00 0.00 C ATOM 377 O GLU A 26 14.192 -12.903 -1.681 1.00 0.00 O ATOM 378 CB GLU A 26 16.983 -13.751 -3.531 1.00 0.00 C ATOM 379 CG GLU A 26 16.132 -13.417 -4.775 1.00 0.00 C ATOM 380 CD GLU A 26 16.702 -14.012 -6.080 1.00 0.00 C ATOM 381 OE1 GLU A 26 17.759 -13.535 -6.550 1.00 0.00 O ATOM 382 OE2 GLU A 26 16.095 -14.945 -6.650 1.00 0.00 O ATOM 0 H GLU A 26 18.313 -13.873 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 26 16.412 -12.019 -2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.013 -13.453 -3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 26 16.985 -14.832 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.119 -13.791 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 26 16.060 -12.334 -4.878 1.00 0.00 H new ATOM 389 N GLU A 27 15.172 -14.946 -1.392 1.00 0.00 N ATOM 390 CA GLU A 27 13.983 -15.681 -0.910 1.00 0.00 C ATOM 391 C GLU A 27 13.319 -14.963 0.271 1.00 0.00 C ATOM 392 O GLU A 27 12.119 -14.712 0.240 1.00 0.00 O ATOM 393 CB GLU A 27 14.381 -17.129 -0.511 1.00 0.00 C ATOM 394 CG GLU A 27 14.935 -17.986 -1.666 1.00 0.00 C ATOM 395 CD GLU A 27 13.946 -18.143 -2.835 1.00 0.00 C ATOM 396 OE1 GLU A 27 12.934 -18.865 -2.675 1.00 0.00 O ATOM 397 OE2 GLU A 27 14.165 -17.543 -3.909 1.00 0.00 O ATOM 0 H GLU A 27 16.013 -15.523 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 27 13.257 -15.720 -1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.130 -17.081 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.508 -17.629 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.855 -17.534 -2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.196 -18.973 -1.284 1.00 0.00 H new ATOM 404 N ALA A 28 14.132 -14.588 1.265 1.00 0.00 N ATOM 405 CA ALA A 28 13.656 -13.952 2.509 1.00 0.00 C ATOM 406 C ALA A 28 13.041 -12.560 2.251 1.00 0.00 C ATOM 407 O ALA A 28 12.064 -12.179 2.902 1.00 0.00 O ATOM 408 CB ALA A 28 14.810 -13.861 3.508 1.00 0.00 C ATOM 0 H ALA A 28 15.144 -14.716 1.234 1.00 0.00 H new ATOM 0 HA ALA A 28 12.862 -14.572 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.459 -13.391 4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.179 -14.862 3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.616 -13.264 3.080 1.00 0.00 H new ATOM 414 N ALA A 29 13.622 -11.818 1.293 1.00 0.00 N ATOM 415 CA ALA A 29 13.125 -10.487 0.893 1.00 0.00 C ATOM 416 C ALA A 29 11.845 -10.584 0.039 1.00 0.00 C ATOM 417 O ALA A 29 11.039 -9.649 0.015 1.00 0.00 O ATOM 418 CB ALA A 29 14.218 -9.709 0.156 1.00 0.00 C ATOM 0 H ALA A 29 14.447 -12.121 0.775 1.00 0.00 H new ATOM 0 HA ALA A 29 12.863 -9.945 1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.836 -8.730 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.080 -9.584 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.517 -10.259 -0.736 1.00 0.00 H new ATOM 424 N VAL A 30 11.645 -11.737 -0.630 1.00 0.00 N ATOM 425 CA VAL A 30 10.406 -12.017 -1.388 1.00 0.00 C ATOM 426 C VAL A 30 9.250 -12.183 -0.384 1.00 0.00 C ATOM 427 O VAL A 30 8.149 -11.646 -0.567 1.00 0.00 O ATOM 428 CB VAL A 30 10.564 -13.314 -2.277 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.225 -13.786 -2.894 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.614 -13.098 -3.388 1.00 0.00 C ATOM 0 H VAL A 30 12.328 -12.494 -0.661 1.00 0.00 H new ATOM 0 HA VAL A 30 10.196 -11.188 -2.063 1.00 0.00 H new ATOM 0 HB VAL A 30 10.907 -14.103 -1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.396 -14.680 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.517 -14.014 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.818 -12.997 -3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.704 -14.005 -3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.303 -12.272 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.578 -12.864 -2.937 1.00 0.00 H new ATOM 440 N GLU A 31 9.575 -12.885 0.712 1.00 0.00 N ATOM 441 CA GLU A 31 8.657 -13.174 1.828 1.00 0.00 C ATOM 442 C GLU A 31 8.346 -11.896 2.641 1.00 0.00 C ATOM 443 O GLU A 31 7.289 -11.796 3.273 1.00 0.00 O ATOM 444 CB GLU A 31 9.313 -14.260 2.722 1.00 0.00 C ATOM 445 CG GLU A 31 9.715 -15.534 1.946 1.00 0.00 C ATOM 446 CD GLU A 31 8.520 -16.412 1.534 1.00 0.00 C ATOM 447 OE1 GLU A 31 8.082 -17.258 2.342 1.00 0.00 O ATOM 448 OE2 GLU A 31 8.002 -16.246 0.414 1.00 0.00 O ATOM 0 H GLU A 31 10.506 -13.278 0.852 1.00 0.00 H new ATOM 0 HA GLU A 31 7.706 -13.538 1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.198 -13.840 3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.620 -14.532 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.267 -15.245 1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.393 -16.125 2.562 1.00 0.00 H new ATOM 455 N ALA A 32 9.278 -10.924 2.609 1.00 0.00 N ATOM 456 CA ALA A 32 9.125 -9.625 3.297 1.00 0.00 C ATOM 457 C ALA A 32 8.293 -8.611 2.468 1.00 0.00 C ATOM 458 O ALA A 32 8.050 -7.486 2.918 1.00 0.00 O ATOM 459 CB ALA A 32 10.506 -9.070 3.657 1.00 0.00 C ATOM 0 H ALA A 32 10.160 -11.016 2.105 1.00 0.00 H new ATOM 0 HA ALA A 32 8.561 -9.790 4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.392 -8.112 4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.019 -9.771 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 32 11.091 -8.932 2.748 1.00 0.00 H new ATOM 465 N GLY A 33 7.873 -9.018 1.251 1.00 0.00 N ATOM 466 CA GLY A 33 6.810 -8.322 0.506 1.00 0.00 C ATOM 467 C GLY A 33 7.270 -7.174 -0.382 1.00 0.00 C ATOM 468 O GLY A 33 6.447 -6.332 -0.771 1.00 0.00 O ATOM 0 H GLY A 33 8.257 -9.828 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.289 -9.051 -0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.084 -7.936 1.221 1.00 0.00 H new ATOM 472 N TYR A 34 8.570 -7.113 -0.706 1.00 0.00 N ATOM 473 CA TYR A 34 9.120 -6.099 -1.640 1.00 0.00 C ATOM 474 C TYR A 34 9.994 -6.716 -2.729 1.00 0.00 C ATOM 475 O TYR A 34 10.234 -7.937 -2.748 1.00 0.00 O ATOM 476 CB TYR A 34 9.883 -4.971 -0.887 1.00 0.00 C ATOM 477 CG TYR A 34 10.755 -5.359 0.320 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.392 -6.586 0.423 1.00 0.00 C ATOM 479 CD2 TYR A 34 10.916 -4.464 1.375 1.00 0.00 C ATOM 480 CE1 TYR A 34 12.134 -6.907 1.532 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.659 -4.783 2.473 1.00 0.00 C ATOM 482 CZ TYR A 34 12.257 -5.999 2.552 1.00 0.00 C ATOM 483 OH TYR A 34 12.984 -6.323 3.665 1.00 0.00 O ATOM 0 H TYR A 34 9.271 -7.755 -0.336 1.00 0.00 H new ATOM 0 HA TYR A 34 8.260 -5.649 -2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.522 -4.463 -1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.147 -4.243 -0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.303 -7.300 -0.382 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.442 -3.495 1.322 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.618 -7.870 1.601 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.771 -4.071 3.277 1.00 0.00 H new ATOM 0 HH TYR A 34 12.452 -6.907 4.244 1.00 0.00 H new ATOM 493 N GLU A 35 10.437 -5.841 -3.661 1.00 0.00 N ATOM 494 CA GLU A 35 11.367 -6.218 -4.732 1.00 0.00 C ATOM 495 C GLU A 35 12.765 -6.437 -4.126 1.00 0.00 C ATOM 496 O GLU A 35 13.110 -5.803 -3.129 1.00 0.00 O ATOM 497 CB GLU A 35 11.392 -5.112 -5.822 1.00 0.00 C ATOM 498 CG GLU A 35 12.219 -5.463 -7.080 1.00 0.00 C ATOM 499 CD GLU A 35 12.078 -4.441 -8.222 1.00 0.00 C ATOM 500 OE1 GLU A 35 11.160 -4.597 -9.062 1.00 0.00 O ATOM 501 OE2 GLU A 35 12.886 -3.485 -8.297 1.00 0.00 O ATOM 0 H GLU A 35 10.157 -4.860 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 35 11.041 -7.145 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.367 -4.897 -6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.793 -4.198 -5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.270 -5.540 -6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.912 -6.444 -7.443 1.00 0.00 H new ATOM 508 N VAL A 36 13.556 -7.336 -4.718 1.00 0.00 N ATOM 509 CA VAL A 36 14.911 -7.645 -4.231 1.00 0.00 C ATOM 510 C VAL A 36 15.908 -7.658 -5.405 1.00 0.00 C ATOM 511 O VAL A 36 15.607 -8.190 -6.477 1.00 0.00 O ATOM 512 CB VAL A 36 14.934 -9.003 -3.435 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.470 -10.199 -4.293 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.322 -9.278 -2.809 1.00 0.00 C ATOM 0 H VAL A 36 13.281 -7.869 -5.543 1.00 0.00 H new ATOM 0 HA VAL A 36 15.217 -6.863 -3.536 1.00 0.00 H new ATOM 0 HB VAL A 36 14.215 -8.892 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.505 -11.110 -3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.449 -10.028 -4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.128 -10.305 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.296 -10.224 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.073 -9.331 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.576 -8.473 -2.119 1.00 0.00 H new ATOM 524 N LYS A 37 17.080 -7.028 -5.199 1.00 0.00 N ATOM 525 CA LYS A 37 18.184 -7.030 -6.174 1.00 0.00 C ATOM 526 C LYS A 37 19.513 -7.118 -5.417 1.00 0.00 C ATOM 527 O LYS A 37 19.860 -6.200 -4.679 1.00 0.00 O ATOM 528 CB LYS A 37 18.169 -5.754 -7.051 1.00 0.00 C ATOM 529 CG LYS A 37 19.202 -5.783 -8.206 1.00 0.00 C ATOM 530 CD LYS A 37 18.813 -6.738 -9.339 1.00 0.00 C ATOM 531 CE LYS A 37 19.913 -6.861 -10.395 1.00 0.00 C ATOM 532 NZ LYS A 37 19.477 -7.679 -11.556 1.00 0.00 N ATOM 0 H LYS A 37 17.287 -6.503 -4.350 1.00 0.00 H new ATOM 0 HA LYS A 37 18.063 -7.889 -6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.171 -5.623 -7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.366 -4.887 -6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.314 -4.777 -8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.173 -6.077 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.598 -7.723 -8.924 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.896 -6.384 -9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.199 -5.867 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.799 -7.311 -9.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.858 -7.269 -12.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.829 -8.652 -11.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.438 -7.690 -11.602 1.00 0.00 H new ATOM 546 N ILE A 38 20.240 -8.228 -5.579 1.00 0.00 N ATOM 547 CA ILE A 38 21.497 -8.474 -4.849 1.00 0.00 C ATOM 548 C ILE A 38 22.699 -8.570 -5.803 1.00 0.00 C ATOM 549 O ILE A 38 22.831 -9.548 -6.549 1.00 0.00 O ATOM 550 CB ILE A 38 21.363 -9.790 -4.021 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.105 -9.707 -3.093 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.651 -10.085 -3.194 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.627 -11.025 -2.557 1.00 0.00 C ATOM 0 H ILE A 38 19.979 -8.981 -6.216 1.00 0.00 H new ATOM 0 HA ILE A 38 21.676 -7.631 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 38 21.236 -10.620 -4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.334 -9.051 -2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.292 -9.241 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.518 -11.009 -2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.501 -10.190 -3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.836 -9.263 -2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.753 -10.866 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.361 -11.680 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.420 -11.488 -1.969 1.00 0.00 H new ATOM 565 N GLU A 39 23.574 -7.560 -5.747 1.00 0.00 N ATOM 566 CA GLU A 39 24.854 -7.557 -6.469 1.00 0.00 C ATOM 567 C GLU A 39 25.829 -8.514 -5.771 1.00 0.00 C ATOM 568 O GLU A 39 25.802 -8.657 -4.548 1.00 0.00 O ATOM 569 CB GLU A 39 25.417 -6.119 -6.509 1.00 0.00 C ATOM 570 CG GLU A 39 26.778 -5.939 -7.198 1.00 0.00 C ATOM 571 CD GLU A 39 27.268 -4.481 -7.166 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.640 -3.625 -7.809 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.289 -4.191 -6.523 1.00 0.00 O ATOM 0 H GLU A 39 23.414 -6.716 -5.197 1.00 0.00 H new ATOM 0 HA GLU A 39 24.710 -7.897 -7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.691 -5.482 -7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.502 -5.756 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.515 -6.577 -6.711 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.704 -6.271 -8.234 1.00 0.00 H new ATOM 580 N THR A 40 26.664 -9.178 -6.566 1.00 0.00 N ATOM 581 CA THR A 40 27.622 -10.169 -6.089 1.00 0.00 C ATOM 582 C THR A 40 29.013 -9.840 -6.639 1.00 0.00 C ATOM 583 O THR A 40 29.227 -9.883 -7.851 1.00 0.00 O ATOM 584 CB THR A 40 27.186 -11.618 -6.506 1.00 0.00 C ATOM 585 OG1 THR A 40 26.756 -11.635 -7.873 1.00 0.00 O ATOM 586 CG2 THR A 40 26.061 -12.168 -5.613 1.00 0.00 C ATOM 0 H THR A 40 26.694 -9.040 -7.576 1.00 0.00 H new ATOM 0 HA THR A 40 27.652 -10.136 -5.000 1.00 0.00 H new ATOM 0 HB THR A 40 28.059 -12.259 -6.381 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.972 -12.216 -7.962 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.794 -13.173 -5.941 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.402 -12.203 -4.578 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.188 -11.519 -5.686 1.00 0.00 H new ATOM 594 N GLN A 41 29.952 -9.476 -5.746 1.00 0.00 N ATOM 595 CA GLN A 41 31.345 -9.182 -6.131 1.00 0.00 C ATOM 596 C GLN A 41 32.274 -10.291 -5.610 1.00 0.00 C ATOM 597 O GLN A 41 32.082 -10.808 -4.508 1.00 0.00 O ATOM 598 CB GLN A 41 31.789 -7.803 -5.589 1.00 0.00 C ATOM 599 CG GLN A 41 30.833 -6.640 -5.929 1.00 0.00 C ATOM 600 CD GLN A 41 31.472 -5.252 -5.793 1.00 0.00 C ATOM 601 OE1 GLN A 41 30.850 -4.292 -5.355 1.00 0.00 O ATOM 602 NE2 GLN A 41 32.711 -5.115 -6.217 1.00 0.00 N ATOM 0 H GLN A 41 29.769 -9.378 -4.747 1.00 0.00 H new ATOM 0 HA GLN A 41 31.406 -9.149 -7.219 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.889 -7.868 -4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.777 -7.572 -5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.473 -6.765 -6.950 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.963 -6.695 -5.275 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.218 -5.922 -6.579 1.00 0.00 H new ATOM 0 HE22 GLN A 41 33.164 -4.202 -6.183 1.00 0.00 H new ATOM 611 N GLY A 42 33.269 -10.656 -6.415 1.00 0.00 N ATOM 612 CA GLY A 42 34.230 -11.686 -6.050 1.00 0.00 C ATOM 613 C GLY A 42 35.441 -11.668 -6.950 1.00 0.00 C ATOM 614 O GLY A 42 35.538 -10.811 -7.843 1.00 0.00 O ATOM 0 H GLY A 42 33.429 -10.246 -7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.543 -11.540 -5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 42 33.752 -12.664 -6.104 1.00 0.00 H new ATOM 618 N ALA A 43 36.364 -12.623 -6.729 1.00 0.00 N ATOM 619 CA ALA A 43 37.607 -12.748 -7.515 1.00 0.00 C ATOM 620 C ALA A 43 37.303 -12.976 -9.011 1.00 0.00 C ATOM 621 O ALA A 43 38.056 -12.532 -9.880 1.00 0.00 O ATOM 622 CB ALA A 43 38.485 -13.880 -6.949 1.00 0.00 C ATOM 0 H ALA A 43 36.269 -13.330 -6.000 1.00 0.00 H new ATOM 0 HA ALA A 43 38.158 -11.811 -7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 43 39.398 -13.961 -7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 43 38.740 -13.659 -5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 43 37.939 -14.822 -6.995 1.00 0.00 H new ATOM 628 N ASP A 44 36.177 -13.661 -9.286 1.00 0.00 N ATOM 629 CA ASP A 44 35.697 -13.923 -10.661 1.00 0.00 C ATOM 630 C ASP A 44 35.283 -12.610 -11.361 1.00 0.00 C ATOM 631 O ASP A 44 35.543 -12.425 -12.556 1.00 0.00 O ATOM 632 CB ASP A 44 34.486 -14.894 -10.639 1.00 0.00 C ATOM 633 CG ASP A 44 34.771 -16.211 -9.907 1.00 0.00 C ATOM 634 OD1 ASP A 44 34.833 -16.202 -8.659 1.00 0.00 O ATOM 635 OD2 ASP A 44 34.919 -17.264 -10.562 1.00 0.00 O ATOM 0 H ASP A 44 35.572 -14.050 -8.562 1.00 0.00 H new ATOM 0 HA ASP A 44 36.517 -14.378 -11.216 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.641 -14.398 -10.162 1.00 0.00 H new ATOM 0 HB3 ASP A 44 34.188 -15.114 -11.664 1.00 0.00 H new ATOM 640 N GLY A 45 34.621 -11.722 -10.599 1.00 0.00 N ATOM 641 CA GLY A 45 34.089 -10.461 -11.124 1.00 0.00 C ATOM 642 C GLY A 45 32.847 -10.008 -10.369 1.00 0.00 C ATOM 643 O GLY A 45 32.627 -10.415 -9.227 1.00 0.00 O ATOM 0 H GLY A 45 34.442 -11.862 -9.605 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.855 -9.689 -11.058 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.848 -10.581 -12.180 1.00 0.00 H new ATOM 647 N ILE A 46 32.034 -9.145 -11.014 1.00 0.00 N ATOM 648 CA ILE A 46 30.779 -8.620 -10.439 1.00 0.00 C ATOM 649 C ILE A 46 29.586 -9.098 -11.284 1.00 0.00 C ATOM 650 O ILE A 46 29.643 -9.075 -12.520 1.00 0.00 O ATOM 651 CB ILE A 46 30.799 -7.043 -10.350 1.00 0.00 C ATOM 652 CG1 ILE A 46 32.057 -6.570 -9.544 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.493 -6.496 -9.705 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.297 -5.075 -9.520 1.00 0.00 C ATOM 0 H ILE A 46 32.231 -8.792 -11.951 1.00 0.00 H new ATOM 0 HA ILE A 46 30.679 -9.002 -9.423 1.00 0.00 H new ATOM 0 HB ILE A 46 30.856 -6.643 -11.362 1.00 0.00 H new ATOM 0 HG12 ILE A 46 31.960 -6.921 -8.516 1.00 0.00 H new ATOM 0 HG13 ILE A 46 32.938 -7.054 -9.964 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.538 -5.408 -9.658 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.636 -6.798 -10.307 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.389 -6.898 -8.697 1.00 0.00 H new ATOM 0 HD11 ILE A 46 33.192 -4.859 -8.936 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.433 -4.712 -10.539 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.440 -4.576 -9.068 1.00 0.00 H new ATOM 666 N GLN A 47 28.510 -9.512 -10.608 1.00 0.00 N ATOM 667 CA GLN A 47 27.308 -10.080 -11.238 1.00 0.00 C ATOM 668 C GLN A 47 26.057 -9.487 -10.572 1.00 0.00 C ATOM 669 O GLN A 47 26.106 -9.124 -9.397 1.00 0.00 O ATOM 670 CB GLN A 47 27.324 -11.631 -11.080 1.00 0.00 C ATOM 671 CG GLN A 47 26.217 -12.383 -11.857 1.00 0.00 C ATOM 672 CD GLN A 47 26.306 -12.240 -13.384 1.00 0.00 C ATOM 673 OE1 GLN A 47 25.284 -12.216 -14.074 1.00 0.00 O ATOM 674 NE2 GLN A 47 27.521 -12.191 -13.933 1.00 0.00 N ATOM 0 H GLN A 47 28.446 -9.462 -9.591 1.00 0.00 H new ATOM 0 HA GLN A 47 27.294 -9.834 -12.300 1.00 0.00 H new ATOM 0 HB2 GLN A 47 28.294 -12.004 -11.409 1.00 0.00 H new ATOM 0 HB3 GLN A 47 27.232 -11.874 -10.021 1.00 0.00 H new ATOM 0 HG2 GLN A 47 26.264 -13.441 -11.600 1.00 0.00 H new ATOM 0 HG3 GLN A 47 25.245 -12.017 -11.526 1.00 0.00 H new ATOM 0 HE21 GLN A 47 28.350 -12.212 -13.339 1.00 0.00 H new ATOM 0 HE22 GLN A 47 27.621 -12.132 -14.946 1.00 0.00 H new ATOM 683 N ASN A 48 24.950 -9.394 -11.337 1.00 0.00 N ATOM 684 CA ASN A 48 23.636 -8.899 -10.846 1.00 0.00 C ATOM 685 C ASN A 48 23.767 -7.431 -10.343 1.00 0.00 C ATOM 686 O ASN A 48 23.100 -7.031 -9.382 1.00 0.00 O ATOM 687 CB ASN A 48 23.057 -9.851 -9.736 1.00 0.00 C ATOM 688 CG ASN A 48 21.531 -9.986 -9.753 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.905 -9.924 -10.805 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.914 -10.217 -8.598 1.00 0.00 N ATOM 0 H ASN A 48 24.937 -9.661 -12.321 1.00 0.00 H new ATOM 0 HA ASN A 48 22.926 -8.904 -11.673 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.499 -10.840 -9.856 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.366 -9.480 -8.759 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.902 -10.346 -8.577 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.452 -10.265 -7.733 1.00 0.00 H new ATOM 697 N ARG A 49 24.627 -6.662 -11.066 1.00 0.00 N ATOM 698 CA ARG A 49 25.028 -5.272 -10.759 1.00 0.00 C ATOM 699 C ARG A 49 23.844 -4.375 -10.333 1.00 0.00 C ATOM 700 O ARG A 49 22.837 -4.273 -11.038 1.00 0.00 O ATOM 701 CB ARG A 49 25.738 -4.672 -12.018 1.00 0.00 C ATOM 702 CG ARG A 49 25.981 -3.141 -11.992 1.00 0.00 C ATOM 703 CD ARG A 49 27.001 -2.695 -10.926 1.00 0.00 C ATOM 704 NE ARG A 49 28.392 -2.798 -11.378 1.00 0.00 N ATOM 705 CZ ARG A 49 29.442 -2.881 -10.555 1.00 0.00 C ATOM 706 NH1 ARG A 49 29.274 -3.081 -9.254 1.00 0.00 N ATOM 707 NH2 ARG A 49 30.670 -2.787 -11.042 1.00 0.00 N ATOM 0 H ARG A 49 25.075 -7.014 -11.912 1.00 0.00 H new ATOM 0 HA ARG A 49 25.705 -5.300 -9.905 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.699 -5.171 -12.142 1.00 0.00 H new ATOM 0 HB3 ARG A 49 25.139 -4.911 -12.897 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.330 -2.821 -12.973 1.00 0.00 H new ATOM 0 HG3 ARG A 49 25.033 -2.634 -11.810 1.00 0.00 H new ATOM 0 HD2 ARG A 49 26.793 -1.663 -10.643 1.00 0.00 H new ATOM 0 HD3 ARG A 49 26.871 -3.303 -10.031 1.00 0.00 H new ATOM 0 HE ARG A 49 28.569 -2.807 -12.382 1.00 0.00 H new ATOM 0 HH11 ARG A 49 28.334 -3.174 -8.869 1.00 0.00 H new ATOM 0 HH12 ARG A 49 30.085 -3.142 -8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 49 30.813 -2.652 -12.043 1.00 0.00 H new ATOM 0 HH22 ARG A 49 31.473 -2.850 -10.416 1.00 0.00 H new ATOM 721 N LEU A 50 24.000 -3.754 -9.165 1.00 0.00 N ATOM 722 CA LEU A 50 23.097 -2.722 -8.657 1.00 0.00 C ATOM 723 C LEU A 50 23.362 -1.384 -9.347 1.00 0.00 C ATOM 724 O LEU A 50 24.499 -0.914 -9.404 1.00 0.00 O ATOM 725 CB LEU A 50 23.268 -2.583 -7.123 1.00 0.00 C ATOM 726 CG LEU A 50 22.637 -3.736 -6.293 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.141 -3.756 -4.843 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.115 -3.638 -6.343 1.00 0.00 C ATOM 0 H LEU A 50 24.773 -3.958 -8.532 1.00 0.00 H new ATOM 0 HA LEU A 50 22.071 -3.017 -8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.332 -2.528 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.824 -1.640 -6.805 1.00 0.00 H new ATOM 0 HG LEU A 50 22.950 -4.679 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.671 -4.579 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.223 -3.889 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.888 -2.814 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.679 -4.449 -5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.798 -2.681 -5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.779 -3.714 -7.377 1.00 0.00 H new ATOM 740 N THR A 51 22.290 -0.789 -9.866 1.00 0.00 N ATOM 741 CA THR A 51 22.317 0.531 -10.492 1.00 0.00 C ATOM 742 C THR A 51 21.894 1.581 -9.454 1.00 0.00 C ATOM 743 O THR A 51 21.322 1.225 -8.414 1.00 0.00 O ATOM 744 CB THR A 51 21.355 0.568 -11.725 1.00 0.00 C ATOM 745 OG1 THR A 51 19.985 0.432 -11.297 1.00 0.00 O ATOM 746 CG2 THR A 51 21.682 -0.550 -12.740 1.00 0.00 C ATOM 0 H THR A 51 21.364 -1.217 -9.863 1.00 0.00 H new ATOM 0 HA THR A 51 23.326 0.749 -10.843 1.00 0.00 H new ATOM 0 HB THR A 51 21.497 1.531 -12.215 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.879 -0.407 -10.801 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.992 -0.491 -13.582 1.00 0.00 H new ATOM 0 HG22 THR A 51 22.704 -0.428 -13.099 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.581 -1.522 -12.256 1.00 0.00 H new ATOM 754 N ALA A 52 22.144 2.868 -9.752 1.00 0.00 N ATOM 755 CA ALA A 52 21.755 3.979 -8.868 1.00 0.00 C ATOM 756 C ALA A 52 20.230 3.999 -8.623 1.00 0.00 C ATOM 757 O ALA A 52 19.785 4.392 -7.549 1.00 0.00 O ATOM 758 CB ALA A 52 22.240 5.306 -9.457 1.00 0.00 C ATOM 0 H ALA A 52 22.617 3.165 -10.605 1.00 0.00 H new ATOM 0 HA ALA A 52 22.231 3.832 -7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 52 21.949 6.124 -8.798 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.326 5.286 -9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 52 21.791 5.454 -10.439 1.00 0.00 H new ATOM 764 N GLN A 53 19.457 3.519 -9.621 1.00 0.00 N ATOM 765 CA GLN A 53 17.992 3.394 -9.536 1.00 0.00 C ATOM 766 C GLN A 53 17.571 2.410 -8.421 1.00 0.00 C ATOM 767 O GLN A 53 16.625 2.682 -7.671 1.00 0.00 O ATOM 768 CB GLN A 53 17.425 2.945 -10.911 1.00 0.00 C ATOM 769 CG GLN A 53 15.886 2.854 -10.998 1.00 0.00 C ATOM 770 CD GLN A 53 15.181 4.176 -10.670 1.00 0.00 C ATOM 771 OE1 GLN A 53 14.786 4.351 -9.422 1.00 0.00 O flip ATOM 772 NE2 GLN A 53 14.974 5.020 -11.545 1.00 0.00 N flip ATOM 0 H GLN A 53 19.838 3.206 -10.514 1.00 0.00 H new ATOM 0 HA GLN A 53 17.578 4.369 -9.279 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.774 3.642 -11.673 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.844 1.969 -11.156 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.604 2.539 -12.003 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.535 2.083 -10.312 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.292 4.854 -12.500 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.484 5.884 -11.314 1.00 0.00 H new ATOM 781 N ASP A 54 18.300 1.281 -8.313 1.00 0.00 N ATOM 782 CA ASP A 54 18.070 0.274 -7.259 1.00 0.00 C ATOM 783 C ASP A 54 18.349 0.873 -5.870 1.00 0.00 C ATOM 784 O ASP A 54 17.556 0.701 -4.945 1.00 0.00 O ATOM 785 CB ASP A 54 18.954 -0.985 -7.472 1.00 0.00 C ATOM 786 CG ASP A 54 18.619 -1.783 -8.745 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.472 -2.263 -8.873 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.498 -1.963 -9.605 1.00 0.00 O ATOM 0 H ASP A 54 19.060 1.043 -8.950 1.00 0.00 H new ATOM 0 HA ASP A 54 17.024 -0.027 -7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 54 19.999 -0.679 -7.513 1.00 0.00 H new ATOM 0 HB3 ASP A 54 18.848 -1.640 -6.607 1.00 0.00 H new ATOM 793 N ILE A 55 19.479 1.603 -5.765 1.00 0.00 N ATOM 794 CA ILE A 55 19.934 2.226 -4.501 1.00 0.00 C ATOM 795 C ILE A 55 18.992 3.390 -4.088 1.00 0.00 C ATOM 796 O ILE A 55 18.834 3.684 -2.895 1.00 0.00 O ATOM 797 CB ILE A 55 21.423 2.757 -4.621 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.330 1.732 -5.385 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.029 3.063 -3.232 1.00 0.00 C ATOM 800 CD1 ILE A 55 23.730 2.231 -5.732 1.00 0.00 C ATOM 0 H ILE A 55 20.103 1.778 -6.553 1.00 0.00 H new ATOM 0 HA ILE A 55 19.904 1.455 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 55 21.386 3.685 -5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.423 0.832 -4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 55 21.826 1.443 -6.307 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.050 3.425 -3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.430 3.825 -2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.034 2.155 -2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.275 1.448 -6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.655 3.112 -6.370 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.261 2.490 -4.816 1.00 0.00 H new ATOM 812 N ALA A 56 18.365 4.028 -5.100 1.00 0.00 N ATOM 813 CA ALA A 56 17.450 5.166 -4.907 1.00 0.00 C ATOM 814 C ALA A 56 16.109 4.707 -4.304 1.00 0.00 C ATOM 815 O ALA A 56 15.595 5.332 -3.374 1.00 0.00 O ATOM 816 CB ALA A 56 17.217 5.896 -6.240 1.00 0.00 C ATOM 0 H ALA A 56 18.482 3.764 -6.078 1.00 0.00 H new ATOM 0 HA ALA A 56 17.915 5.857 -4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.539 6.735 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.168 6.266 -6.623 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.779 5.206 -6.961 1.00 0.00 H new ATOM 822 N GLU A 57 15.563 3.604 -4.850 1.00 0.00 N ATOM 823 CA GLU A 57 14.277 3.023 -4.397 1.00 0.00 C ATOM 824 C GLU A 57 14.469 2.096 -3.188 1.00 0.00 C ATOM 825 O GLU A 57 13.484 1.695 -2.556 1.00 0.00 O ATOM 826 CB GLU A 57 13.587 2.258 -5.559 1.00 0.00 C ATOM 827 CG GLU A 57 13.274 3.145 -6.772 1.00 0.00 C ATOM 828 CD GLU A 57 12.457 2.425 -7.857 1.00 0.00 C ATOM 829 OE1 GLU A 57 11.206 2.402 -7.762 1.00 0.00 O ATOM 830 OE2 GLU A 57 13.056 1.863 -8.799 1.00 0.00 O ATOM 0 H GLU A 57 15.997 3.089 -5.616 1.00 0.00 H new ATOM 0 HA GLU A 57 13.635 3.847 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.230 1.436 -5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.661 1.815 -5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.725 4.025 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.209 3.499 -7.206 1.00 0.00 H new ATOM 837 N ALA A 58 15.735 1.767 -2.878 1.00 0.00 N ATOM 838 CA ALA A 58 16.082 0.846 -1.780 1.00 0.00 C ATOM 839 C ALA A 58 15.631 1.393 -0.407 1.00 0.00 C ATOM 840 O ALA A 58 16.259 2.300 0.152 1.00 0.00 O ATOM 841 CB ALA A 58 17.585 0.547 -1.773 1.00 0.00 C ATOM 0 H ALA A 58 16.545 2.131 -3.380 1.00 0.00 H new ATOM 0 HA ALA A 58 15.543 -0.085 -1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.817 -0.134 -0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.869 0.087 -2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.140 1.476 -1.640 1.00 0.00 H new ATOM 847 N THR A 59 14.497 0.861 0.067 1.00 0.00 N ATOM 848 CA THR A 59 14.011 1.046 1.439 1.00 0.00 C ATOM 849 C THR A 59 15.036 0.451 2.425 1.00 0.00 C ATOM 850 O THR A 59 15.336 1.028 3.475 1.00 0.00 O ATOM 851 CB THR A 59 12.630 0.323 1.602 1.00 0.00 C ATOM 852 OG1 THR A 59 11.731 0.775 0.571 1.00 0.00 O ATOM 853 CG2 THR A 59 11.994 0.544 2.990 1.00 0.00 C ATOM 0 H THR A 59 13.882 0.280 -0.503 1.00 0.00 H new ATOM 0 HA THR A 59 13.886 2.108 1.648 1.00 0.00 H new ATOM 0 HB THR A 59 12.811 -0.748 1.509 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.833 0.890 0.947 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.040 0.019 3.041 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.661 0.160 3.761 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.830 1.610 3.150 1.00 0.00 H new ATOM 861 N ILE A 60 15.575 -0.719 2.043 1.00 0.00 N ATOM 862 CA ILE A 60 16.576 -1.457 2.835 1.00 0.00 C ATOM 863 C ILE A 60 17.791 -1.808 1.962 1.00 0.00 C ATOM 864 O ILE A 60 17.635 -2.154 0.785 1.00 0.00 O ATOM 865 CB ILE A 60 15.940 -2.774 3.431 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.748 -2.433 4.391 1.00 0.00 C ATOM 867 CG2 ILE A 60 17.000 -3.648 4.146 1.00 0.00 C ATOM 868 CD1 ILE A 60 14.042 -3.626 5.010 1.00 0.00 C ATOM 0 H ILE A 60 15.327 -1.184 1.169 1.00 0.00 H new ATOM 0 HA ILE A 60 16.905 -0.822 3.658 1.00 0.00 H new ATOM 0 HB ILE A 60 15.549 -3.357 2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.122 -1.798 5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.015 -1.847 3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.524 -4.545 4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.776 -3.933 3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.447 -3.082 4.964 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.236 -3.277 5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.629 -4.254 4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.754 -4.204 5.599 1.00 0.00 H new ATOM 880 N ILE A 61 19.009 -1.694 2.546 1.00 0.00 N ATOM 881 CA ILE A 61 20.266 -2.154 1.920 1.00 0.00 C ATOM 882 C ILE A 61 21.047 -2.995 2.942 1.00 0.00 C ATOM 883 O ILE A 61 21.165 -2.601 4.103 1.00 0.00 O ATOM 884 CB ILE A 61 21.190 -0.967 1.441 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.366 0.106 0.663 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.378 -1.497 0.580 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.149 1.320 0.222 1.00 0.00 C ATOM 0 H ILE A 61 19.144 -1.278 3.468 1.00 0.00 H new ATOM 0 HA ILE A 61 19.993 -2.734 1.038 1.00 0.00 H new ATOM 0 HB ILE A 61 21.607 -0.488 2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.927 -0.364 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.540 0.435 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.999 -0.660 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.977 -2.189 1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.989 -2.013 -0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.489 2.005 -0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.566 1.821 1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.959 1.010 -0.439 1.00 0.00 H new ATOM 899 N ILE A 62 21.559 -4.162 2.509 1.00 0.00 N ATOM 900 CA ILE A 62 22.453 -5.015 3.328 1.00 0.00 C ATOM 901 C ILE A 62 23.794 -5.180 2.579 1.00 0.00 C ATOM 902 O ILE A 62 23.790 -5.389 1.373 1.00 0.00 O ATOM 903 CB ILE A 62 21.849 -6.463 3.605 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.409 -6.424 4.226 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.784 -7.293 4.518 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.277 -6.266 3.226 1.00 0.00 C ATOM 0 H ILE A 62 21.367 -4.544 1.583 1.00 0.00 H new ATOM 0 HA ILE A 62 22.580 -4.523 4.292 1.00 0.00 H new ATOM 0 HB ILE A 62 21.771 -6.941 2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.249 -7.343 4.789 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.360 -5.601 4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.346 -8.276 4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.755 -7.407 4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.910 -6.780 5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.324 -6.250 3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.403 -5.332 2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.290 -7.102 2.527 1.00 0.00 H new ATOM 918 N HIS A 63 24.938 -5.067 3.276 1.00 0.00 N ATOM 919 CA HIS A 63 26.250 -5.470 2.718 1.00 0.00 C ATOM 920 C HIS A 63 26.703 -6.752 3.406 1.00 0.00 C ATOM 921 O HIS A 63 27.390 -6.724 4.433 1.00 0.00 O ATOM 922 CB HIS A 63 27.326 -4.344 2.815 1.00 0.00 C ATOM 923 CG HIS A 63 27.326 -3.376 1.653 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.434 -2.633 1.341 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.343 -3.087 0.755 1.00 0.00 C ATOM 926 CE1 HIS A 63 28.111 -1.923 0.281 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.855 -2.163 -0.107 1.00 0.00 N ATOM 0 H HIS A 63 24.985 -4.701 4.227 1.00 0.00 H new ATOM 0 HA HIS A 63 26.129 -5.653 1.650 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.167 -3.785 3.737 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.311 -4.805 2.888 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.349 -3.509 0.731 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.778 -1.232 -0.214 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.372 -1.736 -0.897 1.00 0.00 H new ATOM 935 N SER A 64 26.243 -7.868 2.851 1.00 0.00 N ATOM 936 CA SER A 64 26.616 -9.209 3.279 1.00 0.00 C ATOM 937 C SER A 64 27.984 -9.557 2.703 1.00 0.00 C ATOM 938 O SER A 64 28.098 -10.222 1.668 1.00 0.00 O ATOM 939 CB SER A 64 25.556 -10.196 2.797 1.00 0.00 C ATOM 940 OG SER A 64 24.287 -9.821 3.267 1.00 0.00 O ATOM 0 H SER A 64 25.584 -7.864 2.072 1.00 0.00 H new ATOM 0 HA SER A 64 26.675 -9.260 4.366 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.551 -10.231 1.708 1.00 0.00 H new ATOM 0 HB3 SER A 64 25.798 -11.199 3.147 1.00 0.00 H new ATOM 0 HG SER A 64 23.929 -9.103 2.704 1.00 0.00 H new ATOM 946 N VAL A 65 29.038 -9.058 3.340 1.00 0.00 N ATOM 947 CA VAL A 65 30.389 -9.123 2.778 1.00 0.00 C ATOM 948 C VAL A 65 31.392 -9.733 3.762 1.00 0.00 C ATOM 949 O VAL A 65 31.129 -9.853 4.958 1.00 0.00 O ATOM 950 CB VAL A 65 30.843 -7.690 2.295 1.00 0.00 C ATOM 951 CG1 VAL A 65 29.920 -7.164 1.159 1.00 0.00 C ATOM 952 CG2 VAL A 65 30.888 -6.679 3.469 1.00 0.00 C ATOM 0 H VAL A 65 28.985 -8.601 4.251 1.00 0.00 H new ATOM 0 HA VAL A 65 30.365 -9.787 1.914 1.00 0.00 H new ATOM 0 HB VAL A 65 31.854 -7.788 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.256 -6.175 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 65 29.962 -7.847 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 65 28.895 -7.100 1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.205 -5.704 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 65 29.897 -6.593 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.595 -7.027 4.222 1.00 0.00 H new ATOM 962 N ALA A 66 32.511 -10.179 3.200 1.00 0.00 N ATOM 963 CA ALA A 66 33.680 -10.692 3.926 1.00 0.00 C ATOM 964 C ALA A 66 34.887 -9.797 3.613 1.00 0.00 C ATOM 965 O ALA A 66 35.897 -9.826 4.318 1.00 0.00 O ATOM 966 CB ALA A 66 33.950 -12.149 3.519 1.00 0.00 C ATOM 0 H ALA A 66 32.639 -10.196 2.188 1.00 0.00 H new ATOM 0 HA ALA A 66 33.495 -10.674 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.818 -12.523 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.081 -12.761 3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.143 -12.198 2.447 1.00 0.00 H new ATOM 972 N VAL A 67 34.753 -9.010 2.524 1.00 0.00 N ATOM 973 CA VAL A 67 35.727 -8.004 2.075 1.00 0.00 C ATOM 974 C VAL A 67 34.984 -6.706 1.726 1.00 0.00 C ATOM 975 O VAL A 67 33.771 -6.728 1.491 1.00 0.00 O ATOM 976 CB VAL A 67 36.525 -8.490 0.804 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.526 -9.600 1.163 1.00 0.00 C ATOM 978 CG2 VAL A 67 35.552 -8.951 -0.328 1.00 0.00 C ATOM 0 H VAL A 67 33.935 -9.063 1.916 1.00 0.00 H new ATOM 0 HA VAL A 67 36.439 -7.840 2.884 1.00 0.00 H new ATOM 0 HB VAL A 67 37.096 -7.642 0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.060 -9.913 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.239 -9.224 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 67 36.990 -10.452 1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.129 -9.281 -1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 67 34.937 -9.775 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 67 34.910 -8.119 -0.617 1.00 0.00 H new ATOM 988 N THR A 68 35.716 -5.587 1.699 1.00 0.00 N ATOM 989 CA THR A 68 35.187 -4.295 1.265 1.00 0.00 C ATOM 990 C THR A 68 34.930 -4.338 -0.267 1.00 0.00 C ATOM 991 O THR A 68 35.895 -4.407 -1.041 1.00 0.00 O ATOM 992 CB THR A 68 36.194 -3.149 1.619 1.00 0.00 C ATOM 993 OG1 THR A 68 36.503 -3.201 3.024 1.00 0.00 O ATOM 994 CG2 THR A 68 35.647 -1.746 1.268 1.00 0.00 C ATOM 0 H THR A 68 36.696 -5.555 1.979 1.00 0.00 H new ATOM 0 HA THR A 68 34.249 -4.094 1.782 1.00 0.00 H new ATOM 0 HB THR A 68 37.090 -3.309 1.020 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.134 -2.485 3.247 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.386 -0.990 1.534 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.442 -1.692 0.199 1.00 0.00 H new ATOM 0 HG23 THR A 68 34.727 -1.565 1.823 1.00 0.00 H new ATOM 1002 N PRO A 69 33.630 -4.336 -0.726 1.00 0.00 N ATOM 1003 CA PRO A 69 33.297 -4.429 -2.167 1.00 0.00 C ATOM 1004 C PRO A 69 33.748 -3.170 -2.932 1.00 0.00 C ATOM 1005 O PRO A 69 33.772 -2.077 -2.365 1.00 0.00 O ATOM 1006 CB PRO A 69 31.757 -4.601 -2.179 1.00 0.00 C ATOM 1007 CG PRO A 69 31.285 -3.995 -0.894 1.00 0.00 C ATOM 1008 CD PRO A 69 32.395 -4.232 0.109 1.00 0.00 C ATOM 0 HA PRO A 69 33.807 -5.252 -2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.311 -4.100 -3.038 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.479 -5.653 -2.244 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.088 -2.930 -1.014 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.354 -4.456 -0.563 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.466 -3.413 0.825 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.225 -5.143 0.683 1.00 0.00 H new ATOM 1016 N GLU A 70 34.099 -3.341 -4.218 1.00 0.00 N ATOM 1017 CA GLU A 70 34.726 -2.273 -5.040 1.00 0.00 C ATOM 1018 C GLU A 70 33.802 -1.043 -5.191 1.00 0.00 C ATOM 1019 O GLU A 70 34.277 0.091 -5.313 1.00 0.00 O ATOM 1020 CB GLU A 70 35.113 -2.807 -6.458 1.00 0.00 C ATOM 1021 CG GLU A 70 35.823 -4.182 -6.499 1.00 0.00 C ATOM 1022 CD GLU A 70 37.119 -4.243 -5.678 1.00 0.00 C ATOM 1023 OE1 GLU A 70 38.178 -3.829 -6.200 1.00 0.00 O ATOM 1024 OE2 GLU A 70 37.085 -4.707 -4.517 1.00 0.00 O ATOM 0 H GLU A 70 33.960 -4.217 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 70 35.628 -1.964 -4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 70 34.206 -2.871 -7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.761 -2.072 -6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.136 -4.945 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 70 36.050 -4.431 -7.536 1.00 0.00 H new ATOM 1031 N ASP A 71 32.482 -1.292 -5.199 1.00 0.00 N ATOM 1032 CA ASP A 71 31.456 -0.250 -5.426 1.00 0.00 C ATOM 1033 C ASP A 71 30.756 0.154 -4.117 1.00 0.00 C ATOM 1034 O ASP A 71 29.673 0.750 -4.159 1.00 0.00 O ATOM 1035 CB ASP A 71 30.436 -0.767 -6.485 1.00 0.00 C ATOM 1036 CG ASP A 71 31.100 -1.040 -7.845 1.00 0.00 C ATOM 1037 OD1 ASP A 71 31.740 -2.106 -7.997 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.990 -0.195 -8.768 1.00 0.00 O ATOM 0 H ASP A 71 32.091 -2.222 -5.048 1.00 0.00 H new ATOM 0 HA ASP A 71 31.940 0.650 -5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 71 29.968 -1.682 -6.121 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.642 -0.031 -6.611 1.00 0.00 H new ATOM 1043 N ASN A 72 31.409 -0.107 -2.957 1.00 0.00 N ATOM 1044 CA ASN A 72 30.824 0.158 -1.619 1.00 0.00 C ATOM 1045 C ASN A 72 30.498 1.662 -1.419 1.00 0.00 C ATOM 1046 O ASN A 72 29.568 2.005 -0.695 1.00 0.00 O ATOM 1047 CB ASN A 72 31.760 -0.358 -0.491 1.00 0.00 C ATOM 1048 CG ASN A 72 32.929 0.573 -0.145 1.00 0.00 C ATOM 1049 OD1 ASN A 72 32.809 1.446 0.723 1.00 0.00 O ATOM 1050 ND2 ASN A 72 34.057 0.408 -0.808 1.00 0.00 N ATOM 0 H ASN A 72 32.348 -0.504 -2.922 1.00 0.00 H new ATOM 0 HA ASN A 72 29.884 -0.390 -1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.166 -0.521 0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.162 -1.327 -0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 72 34.858 1.008 -0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 72 34.129 -0.320 -1.519 1.00 0.00 H new ATOM 1057 N GLU A 73 31.276 2.529 -2.104 1.00 0.00 N ATOM 1058 CA GLU A 73 31.140 4.000 -2.035 1.00 0.00 C ATOM 1059 C GLU A 73 29.735 4.504 -2.445 1.00 0.00 C ATOM 1060 O GLU A 73 29.260 5.498 -1.896 1.00 0.00 O ATOM 1061 CB GLU A 73 32.237 4.661 -2.898 1.00 0.00 C ATOM 1062 CG GLU A 73 32.250 4.240 -4.392 1.00 0.00 C ATOM 1063 CD GLU A 73 33.415 4.865 -5.182 1.00 0.00 C ATOM 1064 OE1 GLU A 73 34.582 4.507 -4.906 1.00 0.00 O ATOM 1065 OE2 GLU A 73 33.176 5.707 -6.077 1.00 0.00 O ATOM 0 H GLU A 73 32.024 2.223 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 73 31.266 4.289 -0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 73 32.116 5.743 -2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.209 4.427 -2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 73 32.315 3.154 -4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 73 31.307 4.531 -4.854 1.00 0.00 H new ATOM 1072 N ARG A 74 29.085 3.791 -3.391 1.00 0.00 N ATOM 1073 CA ARG A 74 27.715 4.119 -3.856 1.00 0.00 C ATOM 1074 C ARG A 74 26.710 4.027 -2.687 1.00 0.00 C ATOM 1075 O ARG A 74 25.787 4.841 -2.551 1.00 0.00 O ATOM 1076 CB ARG A 74 27.260 3.136 -4.970 1.00 0.00 C ATOM 1077 CG ARG A 74 28.210 2.987 -6.176 1.00 0.00 C ATOM 1078 CD ARG A 74 27.664 1.963 -7.193 1.00 0.00 C ATOM 1079 NE ARG A 74 28.593 1.698 -8.300 1.00 0.00 N ATOM 1080 CZ ARG A 74 28.455 2.156 -9.554 1.00 0.00 C ATOM 1081 NH1 ARG A 74 27.481 2.987 -9.868 1.00 0.00 N ATOM 1082 NH2 ARG A 74 29.302 1.772 -10.484 1.00 0.00 N ATOM 0 H ARG A 74 29.490 2.977 -3.852 1.00 0.00 H new ATOM 0 HA ARG A 74 27.737 5.135 -4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.118 2.152 -4.522 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.287 3.462 -5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.339 3.954 -6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.194 2.671 -5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 74 27.447 1.028 -6.677 1.00 0.00 H new ATOM 0 HD3 ARG A 74 26.721 2.330 -7.598 1.00 0.00 H new ATOM 0 HE ARG A 74 29.409 1.119 -8.099 1.00 0.00 H new ATOM 0 HH11 ARG A 74 26.819 3.291 -9.153 1.00 0.00 H new ATOM 0 HH12 ARG A 74 27.389 3.326 -10.825 1.00 0.00 H new ATOM 0 HH21 ARG A 74 30.059 1.129 -10.251 1.00 0.00 H new ATOM 0 HH22 ARG A 74 29.202 2.117 -11.439 1.00 0.00 H new ATOM 1096 N PHE A 75 26.948 3.015 -1.851 1.00 0.00 N ATOM 1097 CA PHE A 75 26.056 2.613 -0.758 1.00 0.00 C ATOM 1098 C PHE A 75 26.482 3.262 0.567 1.00 0.00 C ATOM 1099 O PHE A 75 25.685 3.363 1.488 1.00 0.00 O ATOM 1100 CB PHE A 75 26.084 1.071 -0.628 1.00 0.00 C ATOM 1101 CG PHE A 75 25.845 0.336 -1.947 1.00 0.00 C ATOM 1102 CD1 PHE A 75 24.564 -0.006 -2.357 1.00 0.00 C ATOM 1103 CD2 PHE A 75 26.914 -0.006 -2.779 1.00 0.00 C ATOM 1104 CE1 PHE A 75 24.362 -0.662 -3.552 1.00 0.00 C ATOM 1105 CE2 PHE A 75 26.710 -0.664 -3.975 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.432 -0.991 -4.362 1.00 0.00 C ATOM 0 H PHE A 75 27.786 2.437 -1.915 1.00 0.00 H new ATOM 0 HA PHE A 75 25.044 2.949 -0.984 1.00 0.00 H new ATOM 0 HB2 PHE A 75 27.050 0.767 -0.223 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.326 0.763 0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 75 23.718 0.244 -1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 75 27.920 0.250 -2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 75 23.359 -0.921 -3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 75 27.550 -0.921 -4.604 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.265 -1.504 -5.297 1.00 0.00 H new ATOM 1116 N GLU A 76 27.743 3.712 0.640 1.00 0.00 N ATOM 1117 CA GLU A 76 28.348 4.300 1.859 1.00 0.00 C ATOM 1118 C GLU A 76 27.606 5.591 2.290 1.00 0.00 C ATOM 1119 O GLU A 76 27.517 5.909 3.483 1.00 0.00 O ATOM 1120 CB GLU A 76 29.846 4.583 1.579 1.00 0.00 C ATOM 1121 CG GLU A 76 30.665 5.097 2.781 1.00 0.00 C ATOM 1122 CD GLU A 76 32.128 5.408 2.418 1.00 0.00 C ATOM 1123 OE1 GLU A 76 32.395 6.495 1.863 1.00 0.00 O ATOM 1124 OE2 GLU A 76 33.013 4.561 2.670 1.00 0.00 O ATOM 0 H GLU A 76 28.385 3.681 -0.152 1.00 0.00 H new ATOM 0 HA GLU A 76 28.257 3.595 2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 76 30.308 3.666 1.213 1.00 0.00 H new ATOM 0 HB3 GLU A 76 29.914 5.317 0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 76 30.195 5.997 3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 76 30.643 4.351 3.575 1.00 0.00 H new ATOM 1131 N SER A 77 27.048 6.298 1.291 1.00 0.00 N ATOM 1132 CA SER A 77 26.270 7.533 1.495 1.00 0.00 C ATOM 1133 C SER A 77 24.803 7.226 1.905 1.00 0.00 C ATOM 1134 O SER A 77 24.045 8.138 2.255 1.00 0.00 O ATOM 1135 CB SER A 77 26.313 8.351 0.181 1.00 0.00 C ATOM 1136 OG SER A 77 25.715 9.628 0.323 1.00 0.00 O ATOM 0 H SER A 77 27.125 6.026 0.311 1.00 0.00 H new ATOM 0 HA SER A 77 26.709 8.106 2.312 1.00 0.00 H new ATOM 0 HB2 SER A 77 27.349 8.471 -0.136 1.00 0.00 H new ATOM 0 HB3 SER A 77 25.800 7.798 -0.606 1.00 0.00 H new ATOM 0 HG SER A 77 24.999 9.582 0.991 1.00 0.00 H new ATOM 1142 N ARG A 78 24.425 5.933 1.865 1.00 0.00 N ATOM 1143 CA ARG A 78 23.028 5.465 2.037 1.00 0.00 C ATOM 1144 C ARG A 78 22.912 4.579 3.300 1.00 0.00 C ATOM 1145 O ARG A 78 23.927 4.202 3.900 1.00 0.00 O ATOM 1146 CB ARG A 78 22.576 4.677 0.765 1.00 0.00 C ATOM 1147 CG ARG A 78 22.941 5.346 -0.577 1.00 0.00 C ATOM 1148 CD ARG A 78 22.262 6.702 -0.791 1.00 0.00 C ATOM 1149 NE ARG A 78 22.756 7.350 -2.019 1.00 0.00 N ATOM 1150 CZ ARG A 78 22.067 7.498 -3.159 1.00 0.00 C ATOM 1151 NH1 ARG A 78 20.806 7.097 -3.258 1.00 0.00 N ATOM 1152 NH2 ARG A 78 22.656 8.067 -4.201 1.00 0.00 N ATOM 0 H ARG A 78 25.086 5.172 1.711 1.00 0.00 H new ATOM 0 HA ARG A 78 22.374 6.327 2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 78 23.024 3.683 0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.495 4.541 0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 78 24.022 5.479 -0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.665 4.678 -1.393 1.00 0.00 H new ATOM 0 HD2 ARG A 78 21.182 6.566 -0.856 1.00 0.00 H new ATOM 0 HD3 ARG A 78 22.451 7.347 0.067 1.00 0.00 H new ATOM 0 HE ARG A 78 23.707 7.719 -2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 78 20.343 6.667 -2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 78 20.299 7.219 -4.135 1.00 0.00 H new ATOM 0 HH21 ARG A 78 23.622 8.386 -4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 78 22.143 8.186 -5.075 1.00 0.00 H new ATOM 1166 N ASP A 79 21.665 4.259 3.700 1.00 0.00 N ATOM 1167 CA ASP A 79 21.382 3.453 4.909 1.00 0.00 C ATOM 1168 C ASP A 79 21.613 1.954 4.634 1.00 0.00 C ATOM 1169 O ASP A 79 20.749 1.260 4.075 1.00 0.00 O ATOM 1170 CB ASP A 79 19.936 3.717 5.403 1.00 0.00 C ATOM 1171 CG ASP A 79 19.738 5.164 5.886 1.00 0.00 C ATOM 1172 OD1 ASP A 79 20.033 5.456 7.071 1.00 0.00 O ATOM 1173 OD2 ASP A 79 19.306 6.023 5.085 1.00 0.00 O ATOM 0 H ASP A 79 20.827 4.550 3.197 1.00 0.00 H new ATOM 0 HA ASP A 79 22.072 3.754 5.698 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.235 3.507 4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.701 3.030 6.216 1.00 0.00 H new ATOM 1178 N VAL A 80 22.814 1.472 5.003 1.00 0.00 N ATOM 1179 CA VAL A 80 23.249 0.081 4.768 1.00 0.00 C ATOM 1180 C VAL A 80 23.547 -0.624 6.095 1.00 0.00 C ATOM 1181 O VAL A 80 24.102 -0.024 7.021 1.00 0.00 O ATOM 1182 CB VAL A 80 24.527 0.032 3.860 1.00 0.00 C ATOM 1183 CG1 VAL A 80 24.933 -1.416 3.521 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.329 0.865 2.583 1.00 0.00 C ATOM 0 H VAL A 80 23.516 2.041 5.476 1.00 0.00 H new ATOM 0 HA VAL A 80 22.434 -0.433 4.259 1.00 0.00 H new ATOM 0 HB VAL A 80 25.346 0.473 4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 80 25.822 -1.406 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.147 -1.959 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.118 -1.908 2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.230 0.814 1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.484 0.470 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.132 1.903 2.852 1.00 0.00 H new ATOM 1194 N TYR A 81 23.185 -1.914 6.162 1.00 0.00 N ATOM 1195 CA TYR A 81 23.424 -2.777 7.323 1.00 0.00 C ATOM 1196 C TYR A 81 24.517 -3.787 6.953 1.00 0.00 C ATOM 1197 O TYR A 81 24.248 -4.818 6.320 1.00 0.00 O ATOM 1198 CB TYR A 81 22.098 -3.459 7.762 1.00 0.00 C ATOM 1199 CG TYR A 81 21.017 -2.436 8.161 1.00 0.00 C ATOM 1200 CD1 TYR A 81 20.259 -1.758 7.193 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.784 -2.114 9.500 1.00 0.00 C ATOM 1202 CE1 TYR A 81 19.318 -0.817 7.545 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.835 -1.175 9.853 1.00 0.00 C ATOM 1204 CZ TYR A 81 19.109 -0.526 8.875 1.00 0.00 C ATOM 1205 OH TYR A 81 18.156 0.407 9.225 1.00 0.00 O ATOM 0 H TYR A 81 22.710 -2.393 5.397 1.00 0.00 H new ATOM 0 HA TYR A 81 23.770 -2.197 8.179 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.724 -4.080 6.947 1.00 0.00 H new ATOM 0 HB3 TYR A 81 22.295 -4.123 8.604 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.418 -1.980 6.148 1.00 0.00 H new ATOM 0 HD2 TYR A 81 21.356 -2.608 10.272 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.746 -0.309 6.782 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.661 -0.948 10.895 1.00 0.00 H new ATOM 0 HH TYR A 81 18.130 0.498 10.200 1.00 0.00 H new ATOM 1215 N GLU A 82 25.769 -3.428 7.291 1.00 0.00 N ATOM 1216 CA GLU A 82 26.972 -4.197 6.910 1.00 0.00 C ATOM 1217 C GLU A 82 27.214 -5.361 7.888 1.00 0.00 C ATOM 1218 O GLU A 82 27.479 -5.155 9.076 1.00 0.00 O ATOM 1219 CB GLU A 82 28.200 -3.252 6.842 1.00 0.00 C ATOM 1220 CG GLU A 82 28.050 -2.124 5.796 1.00 0.00 C ATOM 1221 CD GLU A 82 29.181 -1.088 5.856 1.00 0.00 C ATOM 1222 OE1 GLU A 82 30.226 -1.284 5.205 1.00 0.00 O ATOM 1223 OE2 GLU A 82 29.028 -0.077 6.566 1.00 0.00 O ATOM 0 H GLU A 82 25.977 -2.593 7.838 1.00 0.00 H new ATOM 0 HA GLU A 82 26.815 -4.631 5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.362 -2.807 7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 82 29.088 -3.839 6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 82 28.021 -2.564 4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.096 -1.620 5.949 1.00 0.00 H new ATOM 1230 N ILE A 83 27.085 -6.583 7.364 1.00 0.00 N ATOM 1231 CA ILE A 83 27.250 -7.844 8.117 1.00 0.00 C ATOM 1232 C ILE A 83 28.303 -8.734 7.422 1.00 0.00 C ATOM 1233 O ILE A 83 28.953 -8.312 6.451 1.00 0.00 O ATOM 1234 CB ILE A 83 25.882 -8.622 8.198 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.369 -8.942 6.756 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.818 -7.840 9.024 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.189 -9.872 6.699 1.00 0.00 C ATOM 0 H ILE A 83 26.858 -6.734 6.381 1.00 0.00 H new ATOM 0 HA ILE A 83 27.581 -7.603 9.127 1.00 0.00 H new ATOM 0 HB ILE A 83 26.052 -9.561 8.724 1.00 0.00 H new ATOM 0 HG12 ILE A 83 25.101 -8.007 6.265 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.187 -9.380 6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.890 -8.411 9.055 1.00 0.00 H new ATOM 0 HG22 ILE A 83 25.185 -7.688 10.039 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.633 -6.873 8.557 1.00 0.00 H new ATOM 0 HD11 ILE A 83 23.904 -10.035 5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.454 -10.825 7.157 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.352 -9.431 7.239 1.00 0.00 H new ATOM 1249 N THR A 84 28.463 -9.970 7.927 1.00 0.00 N ATOM 1250 CA THR A 84 29.241 -11.004 7.237 1.00 0.00 C ATOM 1251 C THR A 84 28.373 -11.705 6.185 1.00 0.00 C ATOM 1252 O THR A 84 27.156 -11.826 6.354 1.00 0.00 O ATOM 1253 CB THR A 84 29.829 -12.055 8.230 1.00 0.00 C ATOM 1254 OG1 THR A 84 28.815 -12.520 9.137 1.00 0.00 O ATOM 1255 CG2 THR A 84 31.006 -11.469 9.011 1.00 0.00 C ATOM 0 H THR A 84 28.061 -10.274 8.814 1.00 0.00 H new ATOM 0 HA THR A 84 30.079 -10.509 6.747 1.00 0.00 H new ATOM 0 HB THR A 84 30.190 -12.902 7.646 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.202 -13.179 9.750 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.398 -12.221 9.696 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.790 -11.167 8.316 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.670 -10.601 9.578 1.00 0.00 H new ATOM 1263 N LEU A 85 29.024 -12.162 5.099 1.00 0.00 N ATOM 1264 CA LEU A 85 28.351 -12.896 3.996 1.00 0.00 C ATOM 1265 C LEU A 85 27.767 -14.233 4.490 1.00 0.00 C ATOM 1266 O LEU A 85 26.727 -14.689 4.002 1.00 0.00 O ATOM 1267 CB LEU A 85 29.358 -13.088 2.824 1.00 0.00 C ATOM 1268 CG LEU A 85 28.762 -13.522 1.433 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.603 -12.978 0.266 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.620 -15.052 1.318 1.00 0.00 C ATOM 0 H LEU A 85 30.026 -12.037 4.956 1.00 0.00 H new ATOM 0 HA LEU A 85 27.506 -12.312 3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.897 -12.151 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.091 -13.836 3.126 1.00 0.00 H new ATOM 0 HG LEU A 85 27.764 -13.087 1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.163 -13.297 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.623 -11.889 0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.620 -13.362 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.205 -15.307 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.599 -15.518 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 85 27.955 -15.416 2.101 1.00 0.00 H new ATOM 1282 N GLN A 86 28.456 -14.830 5.470 1.00 0.00 N ATOM 1283 CA GLN A 86 28.020 -16.058 6.142 1.00 0.00 C ATOM 1284 C GLN A 86 26.669 -15.847 6.852 1.00 0.00 C ATOM 1285 O GLN A 86 25.784 -16.702 6.750 1.00 0.00 O ATOM 1286 CB GLN A 86 29.105 -16.499 7.154 1.00 0.00 C ATOM 1287 CG GLN A 86 28.789 -17.795 7.925 1.00 0.00 C ATOM 1288 CD GLN A 86 29.909 -18.202 8.889 1.00 0.00 C ATOM 1289 OE1 GLN A 86 30.820 -18.949 8.527 1.00 0.00 O ATOM 1290 NE2 GLN A 86 29.873 -17.674 10.103 1.00 0.00 N ATOM 0 H GLN A 86 29.343 -14.469 5.822 1.00 0.00 H new ATOM 0 HA GLN A 86 27.882 -16.841 5.397 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.046 -16.632 6.620 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.258 -15.694 7.873 1.00 0.00 H new ATOM 0 HG2 GLN A 86 27.864 -17.662 8.486 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.617 -18.603 7.214 1.00 0.00 H new ATOM 0 HE21 GLN A 86 29.104 -17.060 10.369 1.00 0.00 H new ATOM 0 HE22 GLN A 86 30.615 -17.882 10.772 1.00 0.00 H new ATOM 1299 N ASP A 87 26.525 -14.687 7.546 1.00 0.00 N ATOM 1300 CA ASP A 87 25.293 -14.324 8.280 1.00 0.00 C ATOM 1301 C ASP A 87 24.091 -14.239 7.323 1.00 0.00 C ATOM 1302 O ASP A 87 22.973 -14.528 7.712 1.00 0.00 O ATOM 1303 CB ASP A 87 25.466 -12.978 9.053 1.00 0.00 C ATOM 1304 CG ASP A 87 24.415 -12.757 10.166 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.397 -13.557 11.129 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.634 -11.783 10.103 1.00 0.00 O ATOM 0 H ASP A 87 27.260 -13.982 7.609 1.00 0.00 H new ATOM 0 HA ASP A 87 25.103 -15.111 9.010 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.462 -12.950 9.496 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.409 -12.153 8.343 1.00 0.00 H new ATOM 1311 N ALA A 88 24.351 -13.848 6.061 1.00 0.00 N ATOM 1312 CA ALA A 88 23.323 -13.772 5.003 1.00 0.00 C ATOM 1313 C ALA A 88 22.783 -15.155 4.631 1.00 0.00 C ATOM 1314 O ALA A 88 21.582 -15.330 4.445 1.00 0.00 O ATOM 1315 CB ALA A 88 23.901 -13.084 3.774 1.00 0.00 C ATOM 0 H ALA A 88 25.282 -13.575 5.745 1.00 0.00 H new ATOM 0 HA ALA A 88 22.487 -13.190 5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.140 -13.030 2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.222 -12.076 4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.755 -13.653 3.407 1.00 0.00 H new ATOM 1321 N ILE A 89 23.696 -16.135 4.556 1.00 0.00 N ATOM 1322 CA ILE A 89 23.370 -17.508 4.137 1.00 0.00 C ATOM 1323 C ILE A 89 22.514 -18.217 5.215 1.00 0.00 C ATOM 1324 O ILE A 89 21.546 -18.914 4.891 1.00 0.00 O ATOM 1325 CB ILE A 89 24.679 -18.338 3.839 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.573 -17.599 2.788 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.334 -19.768 3.339 1.00 0.00 C ATOM 1328 CD1 ILE A 89 26.961 -18.184 2.588 1.00 0.00 C ATOM 0 H ILE A 89 24.681 -15.999 4.784 1.00 0.00 H new ATOM 0 HA ILE A 89 22.791 -17.449 3.216 1.00 0.00 H new ATOM 0 HB ILE A 89 25.236 -18.428 4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 89 25.054 -17.601 1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.676 -16.557 3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.255 -20.317 3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 89 23.757 -20.291 4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.748 -19.701 2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.498 -17.600 1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.507 -18.156 3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.875 -19.216 2.249 1.00 0.00 H new ATOM 1340 N LYS A 90 22.877 -18.024 6.493 1.00 0.00 N ATOM 1341 CA LYS A 90 22.209 -18.702 7.629 1.00 0.00 C ATOM 1342 C LYS A 90 20.982 -17.916 8.137 1.00 0.00 C ATOM 1343 O LYS A 90 19.903 -18.489 8.329 1.00 0.00 O ATOM 1344 CB LYS A 90 23.215 -18.944 8.793 1.00 0.00 C ATOM 1345 CG LYS A 90 24.008 -17.688 9.254 1.00 0.00 C ATOM 1346 CD LYS A 90 24.821 -17.917 10.545 1.00 0.00 C ATOM 1347 CE LYS A 90 25.948 -18.948 10.371 1.00 0.00 C ATOM 1348 NZ LYS A 90 26.656 -19.223 11.647 1.00 0.00 N ATOM 0 H LYS A 90 23.634 -17.400 6.773 1.00 0.00 H new ATOM 0 HA LYS A 90 21.852 -19.664 7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 90 22.668 -19.343 9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 90 23.926 -19.710 8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.685 -17.382 8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.311 -16.865 9.413 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.250 -16.969 10.870 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.150 -18.251 11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 90 25.532 -19.877 9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.662 -18.583 9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 27.407 -19.923 11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 27.076 -18.343 12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 25.981 -19.596 12.345 1.00 0.00 H new ATOM 1362 N ASN A 91 21.155 -16.600 8.321 1.00 0.00 N ATOM 1363 CA ASN A 91 20.201 -15.733 9.050 1.00 0.00 C ATOM 1364 C ASN A 91 19.451 -14.799 8.078 1.00 0.00 C ATOM 1365 O ASN A 91 18.986 -13.739 8.483 1.00 0.00 O ATOM 1366 CB ASN A 91 20.992 -14.903 10.114 1.00 0.00 C ATOM 1367 CG ASN A 91 20.100 -14.187 11.130 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.136 -14.756 11.631 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.380 -12.923 11.390 1.00 0.00 N ATOM 0 H ASN A 91 21.968 -16.096 7.967 1.00 0.00 H new ATOM 0 HA ASN A 91 19.455 -16.352 9.547 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.672 -15.568 10.647 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.607 -14.164 9.600 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.786 -12.389 12.025 1.00 0.00 H new ATOM 0 HD22 ASN A 91 21.190 -12.480 10.956 1.00 0.00 H new ATOM 1376 N ALA A 92 19.300 -15.230 6.809 1.00 0.00 N ATOM 1377 CA ALA A 92 18.655 -14.443 5.727 1.00 0.00 C ATOM 1378 C ALA A 92 17.363 -13.732 6.184 1.00 0.00 C ATOM 1379 O ALA A 92 17.264 -12.490 6.137 1.00 0.00 O ATOM 1380 CB ALA A 92 18.357 -15.362 4.536 1.00 0.00 C ATOM 0 H ALA A 92 19.625 -16.146 6.498 1.00 0.00 H new ATOM 0 HA ALA A 92 19.355 -13.659 5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 92 17.884 -14.786 3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.288 -15.793 4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.687 -16.162 4.852 1.00 0.00 H new ATOM 1386 N ALA A 93 16.414 -14.550 6.671 1.00 0.00 N ATOM 1387 CA ALA A 93 15.126 -14.072 7.179 1.00 0.00 C ATOM 1388 C ALA A 93 15.322 -13.162 8.386 1.00 0.00 C ATOM 1389 O ALA A 93 14.700 -12.110 8.460 1.00 0.00 O ATOM 1390 CB ALA A 93 14.209 -15.259 7.515 1.00 0.00 C ATOM 0 H ALA A 93 16.523 -15.563 6.721 1.00 0.00 H new ATOM 0 HA ALA A 93 14.643 -13.483 6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.256 -14.887 7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.038 -15.852 6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.682 -15.880 8.276 1.00 0.00 H new ATOM 1396 N GLY A 94 16.234 -13.573 9.296 1.00 0.00 N ATOM 1397 CA GLY A 94 16.485 -12.861 10.546 1.00 0.00 C ATOM 1398 C GLY A 94 16.933 -11.419 10.335 1.00 0.00 C ATOM 1399 O GLY A 94 16.373 -10.513 10.939 1.00 0.00 O ATOM 0 H GLY A 94 16.809 -14.406 9.175 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.577 -12.868 11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.249 -13.393 11.113 1.00 0.00 H new ATOM 1403 N ILE A 95 17.908 -11.221 9.429 1.00 0.00 N ATOM 1404 CA ILE A 95 18.506 -9.900 9.134 1.00 0.00 C ATOM 1405 C ILE A 95 17.436 -8.966 8.570 1.00 0.00 C ATOM 1406 O ILE A 95 17.199 -7.884 9.089 1.00 0.00 O ATOM 1407 CB ILE A 95 19.655 -10.028 8.064 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.742 -11.058 8.502 1.00 0.00 C ATOM 1409 CG2 ILE A 95 20.307 -8.646 7.754 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.420 -11.742 7.344 1.00 0.00 C ATOM 0 H ILE A 95 18.308 -11.978 8.875 1.00 0.00 H new ATOM 0 HA ILE A 95 18.916 -9.503 10.063 1.00 0.00 H new ATOM 0 HB ILE A 95 19.192 -10.398 7.149 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.494 -10.547 9.104 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.281 -11.812 9.140 1.00 0.00 H new ATOM 0 HG21 ILE A 95 21.095 -8.774 7.012 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.550 -7.965 7.365 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.733 -8.231 8.668 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.164 -12.444 7.721 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.678 -12.281 6.755 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.910 -10.997 6.717 1.00 0.00 H new ATOM 1422 N ILE A 96 16.808 -9.443 7.487 1.00 0.00 N ATOM 1423 CA ILE A 96 15.819 -8.696 6.707 1.00 0.00 C ATOM 1424 C ILE A 96 14.620 -8.272 7.579 1.00 0.00 C ATOM 1425 O ILE A 96 14.225 -7.101 7.554 1.00 0.00 O ATOM 1426 CB ILE A 96 15.389 -9.572 5.470 1.00 0.00 C ATOM 1427 CG1 ILE A 96 16.570 -9.614 4.438 1.00 0.00 C ATOM 1428 CG2 ILE A 96 14.075 -9.080 4.814 1.00 0.00 C ATOM 1429 CD1 ILE A 96 16.406 -10.598 3.309 1.00 0.00 C ATOM 0 H ILE A 96 16.979 -10.380 7.123 1.00 0.00 H new ATOM 0 HA ILE A 96 16.259 -7.769 6.340 1.00 0.00 H new ATOM 0 HB ILE A 96 15.178 -10.581 5.823 1.00 0.00 H new ATOM 0 HG12 ILE A 96 16.695 -8.618 4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 96 17.490 -9.851 4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.829 -9.721 3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 96 13.267 -9.117 5.545 1.00 0.00 H new ATOM 0 HG23 ILE A 96 14.203 -8.055 4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.275 -10.548 2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 96 16.315 -11.606 3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 96 15.509 -10.353 2.741 1.00 0.00 H new ATOM 1441 N LYS A 97 14.082 -9.215 8.384 1.00 0.00 N ATOM 1442 CA LYS A 97 12.907 -8.952 9.249 1.00 0.00 C ATOM 1443 C LYS A 97 13.283 -7.992 10.403 1.00 0.00 C ATOM 1444 O LYS A 97 12.434 -7.232 10.875 1.00 0.00 O ATOM 1445 CB LYS A 97 12.270 -10.284 9.782 1.00 0.00 C ATOM 1446 CG LYS A 97 13.064 -11.047 10.882 1.00 0.00 C ATOM 1447 CD LYS A 97 12.723 -10.596 12.325 1.00 0.00 C ATOM 1448 CE LYS A 97 13.572 -11.280 13.397 1.00 0.00 C ATOM 1449 NZ LYS A 97 13.259 -10.760 14.752 1.00 0.00 N ATOM 0 H LYS A 97 14.442 -10.167 8.454 1.00 0.00 H new ATOM 0 HA LYS A 97 12.146 -8.462 8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.280 -10.054 10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 97 12.129 -10.956 8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.863 -12.114 10.788 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.131 -10.907 10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.857 -9.517 12.401 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.671 -10.801 12.522 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.397 -12.356 13.370 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.629 -11.123 13.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.270 -11.544 15.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.970 -10.052 15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.317 -10.319 14.746 1.00 0.00 H new ATOM 1463 N GLU A 98 14.565 -8.064 10.869 1.00 0.00 N ATOM 1464 CA GLU A 98 15.124 -7.121 11.867 1.00 0.00 C ATOM 1465 C GLU A 98 15.029 -5.697 11.332 1.00 0.00 C ATOM 1466 O GLU A 98 14.595 -4.794 12.035 1.00 0.00 O ATOM 1467 CB GLU A 98 16.613 -7.456 12.220 1.00 0.00 C ATOM 1468 CG GLU A 98 16.803 -8.577 13.258 1.00 0.00 C ATOM 1469 CD GLU A 98 16.282 -8.217 14.657 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.812 -7.265 15.270 1.00 0.00 O ATOM 1471 OE2 GLU A 98 15.369 -8.895 15.161 1.00 0.00 O ATOM 0 H GLU A 98 15.230 -8.774 10.562 1.00 0.00 H new ATOM 0 HA GLU A 98 14.539 -7.218 12.782 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.132 -7.739 11.304 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.094 -6.552 12.593 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.291 -9.474 12.909 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.863 -8.821 13.326 1.00 0.00 H new ATOM 1478 N ILE A 99 15.381 -5.520 10.056 1.00 0.00 N ATOM 1479 CA ILE A 99 15.448 -4.188 9.450 1.00 0.00 C ATOM 1480 C ILE A 99 14.023 -3.691 9.146 1.00 0.00 C ATOM 1481 O ILE A 99 13.747 -2.494 9.187 1.00 0.00 O ATOM 1482 CB ILE A 99 16.312 -4.189 8.151 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.706 -4.851 8.407 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.484 -2.754 7.605 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.454 -5.225 7.144 1.00 0.00 C ATOM 0 H ILE A 99 15.624 -6.282 9.423 1.00 0.00 H new ATOM 0 HA ILE A 99 15.928 -3.513 10.159 1.00 0.00 H new ATOM 0 HB ILE A 99 15.788 -4.780 7.400 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.320 -4.165 8.991 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.565 -5.747 9.012 1.00 0.00 H new ATOM 0 HG21 ILE A 99 17.090 -2.780 6.699 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.505 -2.332 7.375 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.978 -2.136 8.355 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.410 -5.678 7.408 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.862 -5.936 6.568 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.629 -4.330 6.546 1.00 0.00 H new ATOM 1497 N GLU A 100 13.133 -4.649 8.857 1.00 0.00 N ATOM 1498 CA GLU A 100 11.704 -4.407 8.629 1.00 0.00 C ATOM 1499 C GLU A 100 11.020 -3.835 9.872 1.00 0.00 C ATOM 1500 O GLU A 100 10.288 -2.860 9.766 1.00 0.00 O ATOM 1501 CB GLU A 100 11.029 -5.737 8.186 1.00 0.00 C ATOM 1502 CG GLU A 100 11.337 -6.122 6.729 1.00 0.00 C ATOM 1503 CD GLU A 100 10.419 -5.399 5.721 1.00 0.00 C ATOM 1504 OE1 GLU A 100 10.655 -4.200 5.438 1.00 0.00 O ATOM 1505 OE2 GLU A 100 9.440 -6.001 5.236 1.00 0.00 O ATOM 0 H GLU A 100 13.392 -5.632 8.774 1.00 0.00 H new ATOM 0 HA GLU A 100 11.597 -3.662 7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.360 -6.541 8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.950 -5.647 8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.377 -5.883 6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.225 -7.200 6.610 1.00 0.00 H new ATOM 1512 N GLU A 101 11.274 -4.447 11.041 1.00 0.00 N ATOM 1513 CA GLU A 101 10.633 -4.038 12.311 1.00 0.00 C ATOM 1514 C GLU A 101 11.244 -2.719 12.828 1.00 0.00 C ATOM 1515 O GLU A 101 10.532 -1.870 13.366 1.00 0.00 O ATOM 1516 CB GLU A 101 10.741 -5.166 13.371 1.00 0.00 C ATOM 1517 CG GLU A 101 12.170 -5.534 13.800 1.00 0.00 C ATOM 1518 CD GLU A 101 12.222 -6.680 14.813 1.00 0.00 C ATOM 1519 OE1 GLU A 101 12.034 -6.421 16.025 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.422 -7.851 14.408 1.00 0.00 O ATOM 0 H GLU A 101 11.921 -5.230 11.137 1.00 0.00 H new ATOM 0 HA GLU A 101 9.574 -3.863 12.122 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.181 -4.864 14.256 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.257 -6.059 12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.747 -5.812 12.918 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.650 -4.655 14.231 1.00 0.00 H new ATOM 1527 N MET A 102 12.562 -2.566 12.624 1.00 0.00 N ATOM 1528 CA MET A 102 13.329 -1.371 13.023 1.00 0.00 C ATOM 1529 C MET A 102 12.896 -0.135 12.209 1.00 0.00 C ATOM 1530 O MET A 102 12.540 0.907 12.784 1.00 0.00 O ATOM 1531 CB MET A 102 14.854 -1.663 12.866 1.00 0.00 C ATOM 1532 CG MET A 102 15.482 -2.496 14.019 1.00 0.00 C ATOM 1533 SD MET A 102 16.807 -3.627 13.503 1.00 0.00 S ATOM 1534 CE MET A 102 17.673 -2.692 12.248 1.00 0.00 C ATOM 0 H MET A 102 13.135 -3.278 12.171 1.00 0.00 H new ATOM 0 HA MET A 102 13.124 -1.143 14.069 1.00 0.00 H new ATOM 0 HB2 MET A 102 15.013 -2.192 11.926 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.385 -0.714 12.791 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.878 -1.812 14.769 1.00 0.00 H new ATOM 0 HG3 MET A 102 14.695 -3.076 14.501 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.410 -3.331 11.762 1.00 0.00 H new ATOM 0 HE2 MET A 102 16.960 -2.331 11.506 1.00 0.00 H new ATOM 0 HE3 MET A 102 18.177 -1.843 12.710 1.00 0.00 H new ATOM 1544 N ILE A 103 12.906 -0.265 10.869 1.00 0.00 N ATOM 1545 CA ILE A 103 12.464 0.815 9.965 1.00 0.00 C ATOM 1546 C ILE A 103 10.951 1.080 10.122 1.00 0.00 C ATOM 1547 O ILE A 103 10.528 2.225 10.073 1.00 0.00 O ATOM 1548 CB ILE A 103 12.856 0.545 8.453 1.00 0.00 C ATOM 1549 CG1 ILE A 103 14.419 0.575 8.288 1.00 0.00 C ATOM 1550 CG2 ILE A 103 12.168 1.546 7.472 1.00 0.00 C ATOM 1551 CD1 ILE A 103 14.926 0.471 6.854 1.00 0.00 C ATOM 0 H ILE A 103 13.216 -1.109 10.387 1.00 0.00 H new ATOM 0 HA ILE A 103 12.999 1.717 10.261 1.00 0.00 H new ATOM 0 HB ILE A 103 12.490 -0.447 8.189 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.796 1.501 8.723 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.845 -0.245 8.867 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.469 1.318 6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 103 11.085 1.456 7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.469 2.564 7.721 1.00 0.00 H new ATOM 0 HD11 ILE A 103 16.016 0.501 6.850 1.00 0.00 H new ATOM 0 HD12 ILE A 103 14.587 -0.468 6.416 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.538 1.305 6.270 1.00 0.00 H new ATOM 1563 N ALA A 104 10.145 0.028 10.370 1.00 0.00 N ATOM 1564 CA ALA A 104 8.699 0.194 10.651 1.00 0.00 C ATOM 1565 C ALA A 104 8.493 1.091 11.877 1.00 0.00 C ATOM 1566 O ALA A 104 7.723 2.040 11.826 1.00 0.00 O ATOM 1567 CB ALA A 104 8.007 -1.162 10.866 1.00 0.00 C ATOM 0 H ALA A 104 10.465 -0.940 10.382 1.00 0.00 H new ATOM 0 HA ALA A 104 8.245 0.668 9.781 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.948 -1.002 11.070 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.116 -1.772 9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.466 -1.675 11.712 1.00 0.00 H new ATOM 1573 N SER A 105 9.284 0.825 12.934 1.00 0.00 N ATOM 1574 CA SER A 105 9.124 1.465 14.253 1.00 0.00 C ATOM 1575 C SER A 105 9.462 2.971 14.191 1.00 0.00 C ATOM 1576 O SER A 105 8.831 3.782 14.878 1.00 0.00 O ATOM 1577 CB SER A 105 10.000 0.732 15.295 1.00 0.00 C ATOM 1578 OG SER A 105 9.769 1.212 16.609 1.00 0.00 O ATOM 0 H SER A 105 10.055 0.158 12.896 1.00 0.00 H new ATOM 0 HA SER A 105 8.080 1.387 14.557 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.792 -0.337 15.257 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.052 0.861 15.041 1.00 0.00 H new ATOM 0 HG SER A 105 10.339 0.725 17.240 1.00 0.00 H new ATOM 1584 N GLU A 106 10.456 3.337 13.354 1.00 0.00 N ATOM 1585 CA GLU A 106 10.837 4.754 13.155 1.00 0.00 C ATOM 1586 C GLU A 106 9.859 5.469 12.196 1.00 0.00 C ATOM 1587 O GLU A 106 9.676 6.685 12.293 1.00 0.00 O ATOM 1588 CB GLU A 106 12.291 4.879 12.642 1.00 0.00 C ATOM 1589 CG GLU A 106 12.545 4.203 11.291 1.00 0.00 C ATOM 1590 CD GLU A 106 13.908 4.533 10.683 1.00 0.00 C ATOM 1591 OE1 GLU A 106 14.041 5.588 10.019 1.00 0.00 O ATOM 1592 OE2 GLU A 106 14.861 3.751 10.872 1.00 0.00 O ATOM 0 H GLU A 106 11.007 2.676 12.807 1.00 0.00 H new ATOM 0 HA GLU A 106 10.778 5.245 14.126 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.545 5.936 12.559 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.963 4.447 13.383 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.465 3.123 11.415 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.764 4.503 10.593 1.00 0.00 H new ATOM 1599 N GLN A 107 9.241 4.711 11.263 1.00 0.00 N ATOM 1600 CA GLN A 107 8.224 5.261 10.334 1.00 0.00 C ATOM 1601 C GLN A 107 6.853 5.392 11.031 1.00 0.00 C ATOM 1602 O GLN A 107 5.934 5.994 10.473 1.00 0.00 O ATOM 1603 CB GLN A 107 8.094 4.403 9.041 1.00 0.00 C ATOM 1604 CG GLN A 107 9.371 4.296 8.170 1.00 0.00 C ATOM 1605 CD GLN A 107 9.870 5.604 7.532 1.00 0.00 C ATOM 1606 OE1 GLN A 107 9.712 6.701 8.068 1.00 0.00 O ATOM 1607 NE2 GLN A 107 10.474 5.483 6.361 1.00 0.00 N ATOM 0 H GLN A 107 9.428 3.717 11.132 1.00 0.00 H new ATOM 0 HA GLN A 107 8.563 6.254 10.040 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.786 3.397 9.325 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.294 4.821 8.430 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.172 3.888 8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.183 3.576 7.373 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.591 4.561 5.940 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.823 6.312 5.879 1.00 0.00 H new ATOM 1616 N GLN A 108 6.718 4.796 12.231 1.00 0.00 N ATOM 1617 CA GLN A 108 5.550 5.008 13.104 1.00 0.00 C ATOM 1618 C GLN A 108 5.753 6.308 13.920 1.00 0.00 C ATOM 1619 O GLN A 108 5.075 7.327 13.630 1.00 0.00 O ATOM 1620 CB GLN A 108 5.324 3.789 14.046 1.00 0.00 C ATOM 1621 CG GLN A 108 5.039 2.451 13.331 1.00 0.00 C ATOM 1622 CD GLN A 108 3.862 2.504 12.351 1.00 0.00 C ATOM 1623 OE1 GLN A 108 2.902 3.249 12.541 1.00 0.00 O ATOM 1624 NE2 GLN A 108 3.936 1.720 11.291 1.00 0.00 N ATOM 1625 OXT GLN A 108 6.636 6.334 14.801 1.00 0.00 O ATOM 0 H GLN A 108 7.412 4.158 12.620 1.00 0.00 H new ATOM 0 HA GLN A 108 4.658 5.108 12.486 1.00 0.00 H new ATOM 0 HB2 GLN A 108 6.207 3.667 14.674 1.00 0.00 H new ATOM 0 HB3 GLN A 108 4.489 4.013 14.710 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.934 2.142 12.791 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.839 1.686 14.081 1.00 0.00 H new ATOM 0 HE21 GLN A 108 4.745 1.113 11.161 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.184 1.721 10.602 1.00 0.00 H new