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+ 139:sc= 1.18 (180deg=0) USER MOD Set 1.2: A 48 ASN : amide:sc= 1.18 K(o=2.4,f=-3.9) USER MOD Set 2.1: A 11 CYS SG : rot 133:sc= -1.4! USER MOD Set 2.2: A 17 HIS : no HD1:sc= 0.486 K(o=-1.3,f=-12!) USER MOD Set 2.3: A 20 MET CE :methyl 170:sc= -0.336 (180deg=-0.259) USER MOD Set 3.1: A 9 CYS SG : rot -37:sc= 1.06 USER MOD Set 3.2: A 64 SER OG : rot -100:sc= 0.933 USER MOD Single : A 3 LYS NZ :NH3+ -178:sc= 0.679 (180deg=0.643) USER MOD Single : A 4 LYS NZ :NH3+ 153:sc= 0.628 (180deg=-0.902) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -22:sc= 0.085 USER MOD Single : A 23 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.00096) USER MOD Single : A 34 TYR OH : rot -97:sc= -0.971 USER MOD Single : A 40 THR OG1 : rot -120:sc= -1.51 USER MOD Single : A 41 GLN : amide:sc= -3.75! C(o=-3.7!,f=-8.6!) USER MOD Single : A 47 GLN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 51 THR OG1 : rot -67:sc= 0.955 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.437 K(o=-0.44,f=-1.7) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.674 K(o=0.67,f=-0.012) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0054 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 86 GLN : amide:sc= -0.289 X(o=-0.29,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -148:sc= -0.753 (180deg=-2.51!) USER MOD Single : A 91 ASN : amide:sc= -0.799 X(o=-0.8,f=-0.7) USER MOD Single : A 97 LYS NZ :NH3+ -134:sc= 1.24 (180deg=0.634) USER MOD Single : A 102 MET CE :methyl -173:sc= -0.568 (180deg=-0.757) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.167 K(o=-0.17,f=-3!) USER MOD Single : A 108 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 3 7.642 -0.888 -1.597 1.00 0.00 N ATOM 30 CA LYS A 3 9.002 -0.622 -1.078 1.00 0.00 C ATOM 31 C LYS A 3 10.050 -1.479 -1.819 1.00 0.00 C ATOM 32 O LYS A 3 9.714 -2.293 -2.703 1.00 0.00 O ATOM 33 CB LYS A 3 9.088 -0.797 0.479 1.00 0.00 C ATOM 34 CG LYS A 3 8.155 -1.854 1.097 1.00 0.00 C ATOM 35 CD LYS A 3 8.347 -1.995 2.633 1.00 0.00 C ATOM 36 CE LYS A 3 7.653 -3.245 3.197 1.00 0.00 C ATOM 37 NZ LYS A 3 7.868 -3.420 4.659 1.00 0.00 N ATOM 0 HA LYS A 3 9.231 0.425 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.115 -1.053 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.872 0.165 0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.119 -1.587 0.887 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.338 -2.818 0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.412 -2.040 2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.952 -1.108 3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.583 -3.181 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.022 -4.126 2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.406 -4.296 4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.888 -3.476 4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.461 -2.610 5.169 1.00 0.00 H new ATOM 51 N LYS A 4 11.329 -1.306 -1.450 1.00 0.00 N ATOM 52 CA LYS A 4 12.442 -1.897 -2.207 1.00 0.00 C ATOM 53 C LYS A 4 13.579 -2.282 -1.243 1.00 0.00 C ATOM 54 O LYS A 4 13.835 -1.587 -0.256 1.00 0.00 O ATOM 55 CB LYS A 4 12.900 -0.871 -3.306 1.00 0.00 C ATOM 56 CG LYS A 4 13.449 -1.461 -4.630 1.00 0.00 C ATOM 57 CD LYS A 4 14.867 -2.045 -4.524 1.00 0.00 C ATOM 58 CE LYS A 4 15.386 -2.559 -5.876 1.00 0.00 C ATOM 59 NZ LYS A 4 15.379 -1.508 -6.921 1.00 0.00 N ATOM 0 H LYS A 4 11.617 -0.764 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 4 12.132 -2.813 -2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.052 -0.230 -3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.670 -0.232 -2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.772 -2.243 -4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.447 -0.680 -5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.545 -1.281 -4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.869 -2.862 -3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.401 -2.938 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.771 -3.397 -6.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.112 -1.717 -7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.448 -1.485 -7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.572 -0.584 -6.485 1.00 0.00 H new ATOM 73 N LEU A 5 14.242 -3.400 -1.543 1.00 0.00 N ATOM 74 CA LEU A 5 15.411 -3.897 -0.806 1.00 0.00 C ATOM 75 C LEU A 5 16.480 -4.261 -1.825 1.00 0.00 C ATOM 76 O LEU A 5 16.171 -4.749 -2.916 1.00 0.00 O ATOM 77 CB LEU A 5 15.034 -5.128 0.083 1.00 0.00 C ATOM 78 CG LEU A 5 16.187 -5.769 0.963 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.654 -6.319 2.296 1.00 0.00 C ATOM 80 CD2 LEU A 5 16.944 -6.903 0.235 1.00 0.00 C ATOM 0 H LEU A 5 13.977 -4.001 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 5 15.785 -3.127 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.227 -4.827 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.635 -5.905 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 5 16.882 -4.951 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.477 -6.749 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.199 -5.510 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.908 -7.089 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.720 -7.301 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.246 -7.698 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.401 -6.511 -0.673 1.00 0.00 H new ATOM 92 N ILE A 6 17.736 -3.983 -1.496 1.00 0.00 N ATOM 93 CA ILE A 6 18.886 -4.450 -2.271 1.00 0.00 C ATOM 94 C ILE A 6 19.913 -5.042 -1.308 1.00 0.00 C ATOM 95 O ILE A 6 19.789 -4.900 -0.081 1.00 0.00 O ATOM 96 CB ILE A 6 19.547 -3.315 -3.145 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.298 -2.278 -2.264 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.502 -2.621 -4.048 1.00 0.00 C ATOM 99 CD1 ILE A 6 21.018 -1.202 -3.038 1.00 0.00 C ATOM 0 H ILE A 6 17.990 -3.425 -0.681 1.00 0.00 H new ATOM 0 HA ILE A 6 18.532 -5.204 -2.974 1.00 0.00 H new ATOM 0 HB ILE A 6 20.284 -3.793 -3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.582 -1.806 -1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 6 21.021 -2.805 -1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.989 -1.844 -4.637 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.053 -3.356 -4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.726 -2.173 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.513 -0.524 -2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.761 -1.659 -3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.300 -0.645 -3.640 1.00 0.00 H new ATOM 111 N ALA A 7 20.925 -5.702 -1.865 1.00 0.00 N ATOM 112 CA ALA A 7 22.037 -6.246 -1.087 1.00 0.00 C ATOM 113 C ALA A 7 23.291 -6.347 -1.952 1.00 0.00 C ATOM 114 O ALA A 7 23.240 -6.169 -3.177 1.00 0.00 O ATOM 115 CB ALA A 7 21.665 -7.611 -0.467 1.00 0.00 C ATOM 0 H ALA A 7 20.998 -5.875 -2.868 1.00 0.00 H new ATOM 0 HA ALA A 7 22.250 -5.564 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.510 -7.993 0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.805 -7.489 0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.417 -8.316 -1.261 1.00 0.00 H new ATOM 121 N LEU A 8 24.415 -6.627 -1.297 1.00 0.00 N ATOM 122 CA LEU A 8 25.708 -6.804 -1.946 1.00 0.00 C ATOM 123 C LEU A 8 26.437 -7.919 -1.195 1.00 0.00 C ATOM 124 O LEU A 8 26.768 -7.773 -0.013 1.00 0.00 O ATOM 125 CB LEU A 8 26.533 -5.473 -1.950 1.00 0.00 C ATOM 126 CG LEU A 8 27.619 -5.305 -3.076 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.250 -3.897 -3.028 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.720 -6.389 -3.010 1.00 0.00 C ATOM 0 H LEU A 8 24.452 -6.739 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 8 25.577 -7.076 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.833 -4.641 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.030 -5.380 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 8 27.101 -5.431 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.997 -3.806 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.474 -3.145 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.724 -3.744 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.442 -6.224 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.227 -6.334 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.268 -7.374 -3.127 1.00 0.00 H new ATOM 140 N CYS A 9 26.643 -9.036 -1.883 1.00 0.00 N ATOM 141 CA CYS A 9 27.393 -10.173 -1.367 1.00 0.00 C ATOM 142 C CYS A 9 28.805 -10.138 -1.969 1.00 0.00 C ATOM 143 O CYS A 9 28.949 -10.289 -3.178 1.00 0.00 O ATOM 144 CB CYS A 9 26.648 -11.473 -1.731 1.00 0.00 C ATOM 145 SG CYS A 9 24.919 -11.501 -1.204 1.00 0.00 S ATOM 0 H CYS A 9 26.288 -9.178 -2.829 1.00 0.00 H new ATOM 0 HA CYS A 9 27.480 -10.129 -0.281 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.690 -11.614 -2.811 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.169 -12.317 -1.279 1.00 0.00 H new ATOM 0 HG CYS A 9 24.808 -10.914 -0.049 1.00 0.00 H new ATOM 151 N ALA A 10 29.841 -9.911 -1.136 1.00 0.00 N ATOM 152 CA ALA A 10 31.248 -9.813 -1.613 1.00 0.00 C ATOM 153 C ALA A 10 32.147 -10.776 -0.828 1.00 0.00 C ATOM 154 O ALA A 10 32.272 -10.660 0.397 1.00 0.00 O ATOM 155 CB ALA A 10 31.782 -8.373 -1.542 1.00 0.00 C ATOM 0 H ALA A 10 29.736 -9.791 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 10 31.262 -10.103 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.811 -8.349 -1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.166 -7.725 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.748 -8.023 -0.510 1.00 0.00 H new ATOM 161 N CYS A 11 32.770 -11.728 -1.543 1.00 0.00 N ATOM 162 CA CYS A 11 33.540 -12.824 -0.933 1.00 0.00 C ATOM 163 C CYS A 11 34.974 -12.875 -1.492 1.00 0.00 C ATOM 164 O CYS A 11 35.164 -12.713 -2.705 1.00 0.00 O ATOM 165 CB CYS A 11 32.834 -14.167 -1.199 1.00 0.00 C ATOM 166 SG CYS A 11 33.647 -15.595 -0.465 1.00 0.00 S ATOM 0 H CYS A 11 32.753 -11.759 -2.562 1.00 0.00 H new ATOM 0 HA CYS A 11 33.597 -12.643 0.140 1.00 0.00 H new ATOM 0 HB2 CYS A 11 31.815 -14.109 -0.817 1.00 0.00 H new ATOM 0 HB3 CYS A 11 32.763 -14.319 -2.276 1.00 0.00 H new ATOM 0 HG CYS A 11 32.766 -16.328 0.148 1.00 0.00 H new ATOM 172 N PRO A 12 36.007 -13.115 -0.612 1.00 0.00 N ATOM 173 CA PRO A 12 37.412 -13.352 -1.051 1.00 0.00 C ATOM 174 C PRO A 12 37.583 -14.698 -1.801 1.00 0.00 C ATOM 175 O PRO A 12 38.562 -14.884 -2.528 1.00 0.00 O ATOM 176 CB PRO A 12 38.199 -13.354 0.288 1.00 0.00 C ATOM 177 CG PRO A 12 37.191 -13.776 1.311 1.00 0.00 C ATOM 178 CD PRO A 12 35.901 -13.132 0.879 1.00 0.00 C ATOM 0 HA PRO A 12 37.756 -12.601 -1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.042 -14.044 0.252 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.604 -12.367 0.512 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.097 -14.861 1.348 1.00 0.00 H new ATOM 0 HG3 PRO A 12 37.481 -13.447 2.309 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.035 -13.702 1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 12 35.797 -12.126 1.286 1.00 0.00 H new ATOM 186 N MET A 13 36.625 -15.628 -1.592 1.00 0.00 N ATOM 187 CA MET A 13 36.614 -16.953 -2.246 1.00 0.00 C ATOM 188 C MET A 13 36.162 -16.814 -3.708 1.00 0.00 C ATOM 189 O MET A 13 36.777 -17.383 -4.616 1.00 0.00 O ATOM 190 CB MET A 13 35.673 -17.935 -1.485 1.00 0.00 C ATOM 191 CG MET A 13 36.030 -18.154 -0.011 1.00 0.00 C ATOM 192 SD MET A 13 34.825 -19.200 0.835 1.00 0.00 S ATOM 193 CE MET A 13 35.510 -19.278 2.489 1.00 0.00 C ATOM 0 H MET A 13 35.836 -15.479 -0.963 1.00 0.00 H new ATOM 0 HA MET A 13 37.625 -17.359 -2.223 1.00 0.00 H new ATOM 0 HB2 MET A 13 34.652 -17.558 -1.545 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.687 -18.898 -1.995 1.00 0.00 H new ATOM 0 HG2 MET A 13 37.017 -18.611 0.058 1.00 0.00 H new ATOM 0 HG3 MET A 13 36.089 -17.190 0.494 1.00 0.00 H new ATOM 0 HE1 MET A 13 34.868 -19.892 3.120 1.00 0.00 H new ATOM 0 HE2 MET A 13 36.507 -19.717 2.450 1.00 0.00 H new ATOM 0 HE3 MET A 13 35.572 -18.272 2.905 1.00 0.00 H new ATOM 203 N GLY A 14 35.073 -16.051 -3.920 1.00 0.00 N ATOM 204 CA GLY A 14 34.562 -15.760 -5.265 1.00 0.00 C ATOM 205 C GLY A 14 33.039 -15.742 -5.341 1.00 0.00 C ATOM 206 O GLY A 14 32.360 -15.652 -4.309 1.00 0.00 O ATOM 0 H GLY A 14 34.530 -15.625 -3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 14 34.947 -14.794 -5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.945 -16.507 -5.961 1.00 0.00 H new ATOM 210 N LEU A 15 32.507 -15.869 -6.574 1.00 0.00 N ATOM 211 CA LEU A 15 31.069 -15.677 -6.861 1.00 0.00 C ATOM 212 C LEU A 15 30.178 -16.839 -6.379 1.00 0.00 C ATOM 213 O LEU A 15 29.005 -16.616 -6.102 1.00 0.00 O ATOM 214 CB LEU A 15 30.837 -15.407 -8.375 1.00 0.00 C ATOM 215 CG LEU A 15 31.247 -13.989 -8.891 1.00 0.00 C ATOM 216 CD1 LEU A 15 31.014 -13.851 -10.418 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.496 -12.883 -8.106 1.00 0.00 C ATOM 0 H LEU A 15 33.060 -16.107 -7.397 1.00 0.00 H new ATOM 0 HA LEU A 15 30.767 -14.802 -6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.390 -16.153 -8.945 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.780 -15.559 -8.593 1.00 0.00 H new ATOM 0 HG LEU A 15 32.315 -13.865 -8.714 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.310 -12.853 -10.742 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.610 -14.596 -10.946 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.958 -14.007 -10.641 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.795 -11.904 -8.480 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.421 -13.009 -8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.742 -12.957 -7.047 1.00 0.00 H new ATOM 229 N ALA A 16 30.718 -18.060 -6.276 1.00 0.00 N ATOM 230 CA ALA A 16 29.929 -19.233 -5.820 1.00 0.00 C ATOM 231 C ALA A 16 29.369 -19.004 -4.394 1.00 0.00 C ATOM 232 O ALA A 16 28.180 -19.254 -4.113 1.00 0.00 O ATOM 233 CB ALA A 16 30.785 -20.504 -5.883 1.00 0.00 C ATOM 0 H ALA A 16 31.691 -18.270 -6.498 1.00 0.00 H new ATOM 0 HA ALA A 16 29.078 -19.360 -6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 16 30.195 -21.357 -5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 16 31.112 -20.672 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.656 -20.388 -5.238 1.00 0.00 H new ATOM 239 N HIS A 17 30.236 -18.460 -3.527 1.00 0.00 N ATOM 240 CA HIS A 17 29.910 -18.197 -2.121 1.00 0.00 C ATOM 241 C HIS A 17 28.923 -17.017 -2.010 1.00 0.00 C ATOM 242 O HIS A 17 27.993 -17.042 -1.180 1.00 0.00 O ATOM 243 CB HIS A 17 31.216 -17.905 -1.322 1.00 0.00 C ATOM 244 CG HIS A 17 31.117 -18.164 0.163 1.00 0.00 C ATOM 245 ND1 HIS A 17 32.048 -17.715 1.075 1.00 0.00 N ATOM 246 CD2 HIS A 17 30.206 -18.856 0.885 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.709 -18.128 2.277 1.00 0.00 C ATOM 248 NE2 HIS A 17 30.599 -18.823 2.188 1.00 0.00 N ATOM 0 H HIS A 17 31.185 -18.190 -3.784 1.00 0.00 H new ATOM 0 HA HIS A 17 29.431 -19.078 -1.695 1.00 0.00 H new ATOM 0 HB2 HIS A 17 32.021 -18.516 -1.731 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.496 -16.863 -1.478 1.00 0.00 H new ATOM 0 HD2 HIS A 17 29.325 -19.346 0.497 1.00 0.00 H new ATOM 0 HE1 HIS A 17 32.254 -17.928 3.188 1.00 0.00 H new ATOM 0 HE2 HIS A 17 30.111 -19.265 2.967 1.00 0.00 H new ATOM 257 N THR A 18 29.123 -16.001 -2.876 1.00 0.00 N ATOM 258 CA THR A 18 28.257 -14.815 -2.924 1.00 0.00 C ATOM 259 C THR A 18 26.840 -15.189 -3.399 1.00 0.00 C ATOM 260 O THR A 18 25.877 -14.566 -2.986 1.00 0.00 O ATOM 261 CB THR A 18 28.829 -13.694 -3.856 1.00 0.00 C ATOM 262 OG1 THR A 18 28.847 -14.122 -5.214 1.00 0.00 O ATOM 263 CG2 THR A 18 30.241 -13.259 -3.466 1.00 0.00 C ATOM 0 H THR A 18 29.884 -15.984 -3.554 1.00 0.00 H new ATOM 0 HA THR A 18 28.216 -14.425 -1.907 1.00 0.00 H new ATOM 0 HB THR A 18 28.162 -12.840 -3.735 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.848 -15.101 -5.248 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.583 -12.481 -4.148 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.234 -12.872 -2.447 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.914 -14.114 -3.524 1.00 0.00 H new ATOM 271 N PHE A 19 26.742 -16.213 -4.279 1.00 0.00 N ATOM 272 CA PHE A 19 25.452 -16.691 -4.819 1.00 0.00 C ATOM 273 C PHE A 19 24.640 -17.447 -3.761 1.00 0.00 C ATOM 274 O PHE A 19 23.413 -17.449 -3.821 1.00 0.00 O ATOM 275 CB PHE A 19 25.645 -17.584 -6.075 1.00 0.00 C ATOM 276 CG PHE A 19 26.161 -16.864 -7.321 1.00 0.00 C ATOM 277 CD1 PHE A 19 25.872 -15.519 -7.550 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.932 -17.541 -8.268 1.00 0.00 C ATOM 279 CE1 PHE A 19 26.343 -14.877 -8.673 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.402 -16.894 -9.391 1.00 0.00 C ATOM 281 CZ PHE A 19 27.106 -15.563 -9.596 1.00 0.00 C ATOM 0 H PHE A 19 27.550 -16.726 -4.631 1.00 0.00 H new ATOM 0 HA PHE A 19 24.894 -15.802 -5.114 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.340 -18.386 -5.826 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.691 -18.053 -6.316 1.00 0.00 H new ATOM 0 HD1 PHE A 19 25.271 -14.974 -6.837 1.00 0.00 H new ATOM 0 HD2 PHE A 19 27.163 -18.585 -8.119 1.00 0.00 H new ATOM 0 HE1 PHE A 19 26.115 -13.833 -8.832 1.00 0.00 H new ATOM 0 HE2 PHE A 19 28.003 -17.430 -10.111 1.00 0.00 H new ATOM 0 HZ PHE A 19 27.471 -15.058 -10.478 1.00 0.00 H new ATOM 291 N MET A 20 25.327 -18.114 -2.812 1.00 0.00 N ATOM 292 CA MET A 20 24.636 -18.749 -1.663 1.00 0.00 C ATOM 293 C MET A 20 24.022 -17.675 -0.743 1.00 0.00 C ATOM 294 O MET A 20 22.894 -17.826 -0.260 1.00 0.00 O ATOM 295 CB MET A 20 25.575 -19.695 -0.861 1.00 0.00 C ATOM 296 CG MET A 20 26.137 -20.875 -1.673 1.00 0.00 C ATOM 297 SD MET A 20 26.644 -22.280 -0.649 1.00 0.00 S ATOM 298 CE MET A 20 27.861 -21.549 0.435 1.00 0.00 C ATOM 0 H MET A 20 26.341 -18.228 -2.813 1.00 0.00 H new ATOM 0 HA MET A 20 23.834 -19.366 -2.067 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.408 -19.112 -0.468 1.00 0.00 H new ATOM 0 HB3 MET A 20 25.028 -20.088 -0.004 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.382 -21.208 -2.385 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.993 -20.531 -2.254 1.00 0.00 H new ATOM 0 HE1 MET A 20 28.118 -22.257 1.223 1.00 0.00 H new ATOM 0 HE2 MET A 20 28.756 -21.302 -0.137 1.00 0.00 H new ATOM 0 HE3 MET A 20 27.453 -20.642 0.881 1.00 0.00 H new ATOM 308 N ALA A 21 24.775 -16.579 -0.540 1.00 0.00 N ATOM 309 CA ALA A 21 24.314 -15.416 0.249 1.00 0.00 C ATOM 310 C ALA A 21 23.210 -14.637 -0.492 1.00 0.00 C ATOM 311 O ALA A 21 22.266 -14.145 0.129 1.00 0.00 O ATOM 312 CB ALA A 21 25.501 -14.499 0.565 1.00 0.00 C ATOM 0 H ALA A 21 25.717 -16.472 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 21 23.887 -15.783 1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 21 25.156 -13.644 1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.245 -15.051 1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.948 -14.148 -0.365 1.00 0.00 H new ATOM 318 N ALA A 22 23.344 -14.556 -1.829 1.00 0.00 N ATOM 319 CA ALA A 22 22.411 -13.828 -2.703 1.00 0.00 C ATOM 320 C ALA A 22 21.051 -14.522 -2.721 1.00 0.00 C ATOM 321 O ALA A 22 20.029 -13.891 -2.495 1.00 0.00 O ATOM 322 CB ALA A 22 22.975 -13.716 -4.128 1.00 0.00 C ATOM 0 H ALA A 22 24.111 -14.999 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 22 22.284 -12.821 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.269 -13.174 -4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.924 -13.180 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.133 -14.714 -4.536 1.00 0.00 H new ATOM 328 N GLN A 23 21.079 -15.840 -2.967 1.00 0.00 N ATOM 329 CA GLN A 23 19.879 -16.689 -3.007 1.00 0.00 C ATOM 330 C GLN A 23 19.126 -16.618 -1.668 1.00 0.00 C ATOM 331 O GLN A 23 17.906 -16.469 -1.644 1.00 0.00 O ATOM 332 CB GLN A 23 20.275 -18.155 -3.331 1.00 0.00 C ATOM 333 CG GLN A 23 19.091 -19.137 -3.485 1.00 0.00 C ATOM 334 CD GLN A 23 18.144 -18.817 -4.655 1.00 0.00 C ATOM 335 OE1 GLN A 23 16.947 -19.073 -4.573 1.00 0.00 O ATOM 336 NE2 GLN A 23 18.670 -18.316 -5.770 1.00 0.00 N ATOM 0 H GLN A 23 21.943 -16.351 -3.145 1.00 0.00 H new ATOM 0 HA GLN A 23 19.217 -16.324 -3.792 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.855 -18.162 -4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 23 20.930 -18.521 -2.540 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.486 -20.144 -3.619 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.516 -19.141 -2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.668 -18.111 -5.816 1.00 0.00 H new ATOM 0 HE22 GLN A 23 18.075 -18.137 -6.579 1.00 0.00 H new ATOM 345 N ALA A 24 19.891 -16.688 -0.566 1.00 0.00 N ATOM 346 CA ALA A 24 19.348 -16.675 0.797 1.00 0.00 C ATOM 347 C ALA A 24 18.608 -15.351 1.116 1.00 0.00 C ATOM 348 O ALA A 24 17.425 -15.373 1.502 1.00 0.00 O ATOM 349 CB ALA A 24 20.487 -16.944 1.793 1.00 0.00 C ATOM 0 H ALA A 24 20.908 -16.755 -0.599 1.00 0.00 H new ATOM 0 HA ALA A 24 18.602 -17.464 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 24 20.092 -16.936 2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.931 -17.917 1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 24 21.248 -16.170 1.694 1.00 0.00 H new ATOM 355 N LEU A 25 19.305 -14.208 0.924 1.00 0.00 N ATOM 356 CA LEU A 25 18.747 -12.858 1.201 1.00 0.00 C ATOM 357 C LEU A 25 17.567 -12.534 0.272 1.00 0.00 C ATOM 358 O LEU A 25 16.670 -11.764 0.643 1.00 0.00 O ATOM 359 CB LEU A 25 19.832 -11.760 1.037 1.00 0.00 C ATOM 360 CG LEU A 25 20.993 -11.782 2.071 1.00 0.00 C ATOM 361 CD1 LEU A 25 22.036 -10.688 1.754 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.460 -11.638 3.515 1.00 0.00 C ATOM 0 H LEU A 25 20.263 -14.191 0.575 1.00 0.00 H new ATOM 0 HA LEU A 25 18.395 -12.870 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.261 -11.848 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.345 -10.786 1.090 1.00 0.00 H new ATOM 0 HG LEU A 25 21.487 -12.751 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.837 -10.725 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.450 -10.857 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.558 -9.709 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.295 -11.657 4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.926 -10.693 3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.782 -12.462 3.737 1.00 0.00 H new ATOM 374 N GLU A 26 17.602 -13.112 -0.940 1.00 0.00 N ATOM 375 CA GLU A 26 16.569 -12.906 -1.959 1.00 0.00 C ATOM 376 C GLU A 26 15.244 -13.502 -1.488 1.00 0.00 C ATOM 377 O GLU A 26 14.258 -12.777 -1.386 1.00 0.00 O ATOM 378 CB GLU A 26 17.020 -13.513 -3.311 1.00 0.00 C ATOM 379 CG GLU A 26 16.099 -13.229 -4.511 1.00 0.00 C ATOM 380 CD GLU A 26 16.692 -13.715 -5.849 1.00 0.00 C ATOM 381 OE1 GLU A 26 17.673 -13.103 -6.331 1.00 0.00 O ATOM 382 OE2 GLU A 26 16.179 -14.695 -6.432 1.00 0.00 O ATOM 0 H GLU A 26 18.351 -13.737 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 26 16.420 -11.837 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.016 -13.135 -3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.108 -14.593 -3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.137 -13.715 -4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.909 -12.157 -4.571 1.00 0.00 H new ATOM 389 N GLU A 27 15.271 -14.810 -1.136 1.00 0.00 N ATOM 390 CA GLU A 27 14.091 -15.556 -0.632 1.00 0.00 C ATOM 391 C GLU A 27 13.447 -14.809 0.543 1.00 0.00 C ATOM 392 O GLU A 27 12.249 -14.566 0.543 1.00 0.00 O ATOM 393 CB GLU A 27 14.496 -16.993 -0.187 1.00 0.00 C ATOM 394 CG GLU A 27 15.126 -17.862 -1.290 1.00 0.00 C ATOM 395 CD GLU A 27 14.189 -18.144 -2.474 1.00 0.00 C ATOM 396 OE1 GLU A 27 13.295 -19.011 -2.334 1.00 0.00 O ATOM 397 OE2 GLU A 27 14.343 -17.523 -3.547 1.00 0.00 O ATOM 0 H GLU A 27 16.115 -15.380 -1.194 1.00 0.00 H new ATOM 0 HA GLU A 27 13.367 -15.633 -1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.201 -16.916 0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.611 -17.502 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.024 -17.367 -1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.441 -18.811 -0.855 1.00 0.00 H new ATOM 404 N ALA A 28 14.302 -14.391 1.483 1.00 0.00 N ATOM 405 CA ALA A 28 13.912 -13.658 2.698 1.00 0.00 C ATOM 406 C ALA A 28 13.135 -12.365 2.367 1.00 0.00 C ATOM 407 O ALA A 28 12.040 -12.129 2.894 1.00 0.00 O ATOM 408 CB ALA A 28 15.175 -13.329 3.495 1.00 0.00 C ATOM 0 H ALA A 28 15.307 -14.555 1.421 1.00 0.00 H new ATOM 0 HA ALA A 28 13.245 -14.287 3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.903 -12.785 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.685 -14.253 3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.839 -12.714 2.887 1.00 0.00 H new ATOM 414 N ALA A 29 13.726 -11.552 1.482 1.00 0.00 N ATOM 415 CA ALA A 29 13.137 -10.284 1.017 1.00 0.00 C ATOM 416 C ALA A 29 11.864 -10.482 0.158 1.00 0.00 C ATOM 417 O ALA A 29 11.020 -9.579 0.085 1.00 0.00 O ATOM 418 CB ALA A 29 14.194 -9.488 0.252 1.00 0.00 C ATOM 0 H ALA A 29 14.634 -11.755 1.064 1.00 0.00 H new ATOM 0 HA ALA A 29 12.817 -9.727 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.762 -8.549 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.038 -9.279 0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.536 -10.068 -0.605 1.00 0.00 H new ATOM 424 N VAL A 30 11.711 -11.669 -0.463 1.00 0.00 N ATOM 425 CA VAL A 30 10.524 -11.986 -1.294 1.00 0.00 C ATOM 426 C VAL A 30 9.325 -12.256 -0.366 1.00 0.00 C ATOM 427 O VAL A 30 8.186 -11.850 -0.641 1.00 0.00 O ATOM 428 CB VAL A 30 10.792 -13.222 -2.247 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.501 -13.718 -2.939 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.861 -12.891 -3.315 1.00 0.00 C ATOM 0 H VAL A 30 12.392 -12.426 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 30 10.305 -11.134 -1.938 1.00 0.00 H new ATOM 0 HB VAL A 30 11.164 -14.024 -1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.736 -14.566 -3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.778 -14.025 -2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.078 -12.913 -3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.021 -13.761 -3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.520 -12.053 -3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.797 -12.625 -2.823 1.00 0.00 H new ATOM 440 N GLU A 31 9.625 -12.914 0.760 1.00 0.00 N ATOM 441 CA GLU A 31 8.650 -13.234 1.822 1.00 0.00 C ATOM 442 C GLU A 31 8.266 -11.965 2.612 1.00 0.00 C ATOM 443 O GLU A 31 7.215 -11.917 3.267 1.00 0.00 O ATOM 444 CB GLU A 31 9.268 -14.312 2.749 1.00 0.00 C ATOM 445 CG GLU A 31 9.764 -15.555 1.991 1.00 0.00 C ATOM 446 CD GLU A 31 8.639 -16.419 1.403 1.00 0.00 C ATOM 447 OE1 GLU A 31 7.998 -17.173 2.171 1.00 0.00 O ATOM 448 OE2 GLU A 31 8.397 -16.358 0.179 1.00 0.00 O ATOM 0 H GLU A 31 10.567 -13.247 0.967 1.00 0.00 H new ATOM 0 HA GLU A 31 7.733 -13.623 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.101 -13.874 3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.525 -14.617 3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.423 -15.236 1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.361 -16.166 2.668 1.00 0.00 H new ATOM 455 N ALA A 32 9.141 -10.948 2.547 1.00 0.00 N ATOM 456 CA ALA A 32 8.888 -9.619 3.128 1.00 0.00 C ATOM 457 C ALA A 32 7.999 -8.752 2.209 1.00 0.00 C ATOM 458 O ALA A 32 7.501 -7.702 2.632 1.00 0.00 O ATOM 459 CB ALA A 32 10.218 -8.938 3.433 1.00 0.00 C ATOM 0 H ALA A 32 10.048 -11.025 2.088 1.00 0.00 H new ATOM 0 HA ALA A 32 8.335 -9.743 4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.033 -7.954 3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.783 -9.543 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.791 -8.829 2.512 1.00 0.00 H new ATOM 465 N GLY A 33 7.832 -9.185 0.944 1.00 0.00 N ATOM 466 CA GLY A 33 6.810 -8.635 0.043 1.00 0.00 C ATOM 467 C GLY A 33 7.357 -7.705 -1.030 1.00 0.00 C ATOM 468 O GLY A 33 6.867 -7.710 -2.167 1.00 0.00 O ATOM 0 H GLY A 33 8.399 -9.921 0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.286 -9.460 -0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.073 -8.093 0.636 1.00 0.00 H new ATOM 472 N TYR A 34 8.359 -6.895 -0.664 1.00 0.00 N ATOM 473 CA TYR A 34 8.947 -5.868 -1.558 1.00 0.00 C ATOM 474 C TYR A 34 9.894 -6.447 -2.618 1.00 0.00 C ATOM 475 O TYR A 34 10.119 -7.666 -2.691 1.00 0.00 O ATOM 476 CB TYR A 34 9.667 -4.757 -0.746 1.00 0.00 C ATOM 477 CG TYR A 34 10.598 -5.180 0.404 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.230 -6.421 0.455 1.00 0.00 C ATOM 479 CD2 TYR A 34 10.810 -4.313 1.465 1.00 0.00 C ATOM 480 CE1 TYR A 34 12.011 -6.770 1.526 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.593 -4.657 2.520 1.00 0.00 C ATOM 482 CZ TYR A 34 12.187 -5.887 2.554 1.00 0.00 C ATOM 483 OH TYR A 34 12.947 -6.248 3.642 1.00 0.00 O ATOM 0 H TYR A 34 8.791 -6.927 0.260 1.00 0.00 H new ATOM 0 HA TYR A 34 8.104 -5.431 -2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.253 -4.161 -1.446 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.902 -4.101 -0.330 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.103 -7.117 -0.361 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.341 -3.340 1.452 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.486 -7.740 1.557 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.746 -3.960 3.330 1.00 0.00 H new ATOM 0 HH TYR A 34 12.360 -6.564 4.361 1.00 0.00 H new ATOM 493 N GLU A 35 10.449 -5.527 -3.433 1.00 0.00 N ATOM 494 CA GLU A 35 11.441 -5.863 -4.466 1.00 0.00 C ATOM 495 C GLU A 35 12.805 -6.197 -3.813 1.00 0.00 C ATOM 496 O GLU A 35 13.104 -5.716 -2.717 1.00 0.00 O ATOM 497 CB GLU A 35 11.571 -4.666 -5.453 1.00 0.00 C ATOM 498 CG GLU A 35 12.558 -4.861 -6.630 1.00 0.00 C ATOM 499 CD GLU A 35 12.156 -5.971 -7.617 1.00 0.00 C ATOM 500 OE1 GLU A 35 12.432 -7.160 -7.342 1.00 0.00 O ATOM 501 OE2 GLU A 35 11.563 -5.660 -8.676 1.00 0.00 O ATOM 0 H GLU A 35 10.221 -4.534 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 35 11.114 -6.744 -5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.585 -4.451 -5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.880 -3.787 -4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.646 -3.921 -7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.545 -5.089 -6.227 1.00 0.00 H new ATOM 508 N VAL A 36 13.614 -7.026 -4.494 1.00 0.00 N ATOM 509 CA VAL A 36 14.966 -7.388 -4.040 1.00 0.00 C ATOM 510 C VAL A 36 15.931 -7.496 -5.240 1.00 0.00 C ATOM 511 O VAL A 36 15.637 -8.176 -6.224 1.00 0.00 O ATOM 512 CB VAL A 36 14.975 -8.707 -3.176 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.342 -9.910 -3.901 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.398 -9.058 -2.688 1.00 0.00 C ATOM 0 H VAL A 36 13.348 -7.464 -5.376 1.00 0.00 H new ATOM 0 HA VAL A 36 15.315 -6.587 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 36 14.351 -8.495 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.379 -10.786 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.304 -9.683 -4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 36 14.894 -10.113 -4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.364 -9.973 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.051 -9.206 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.784 -8.243 -2.075 1.00 0.00 H new ATOM 524 N LYS A 37 17.076 -6.794 -5.153 1.00 0.00 N ATOM 525 CA LYS A 37 18.129 -6.825 -6.187 1.00 0.00 C ATOM 526 C LYS A 37 19.496 -6.934 -5.503 1.00 0.00 C ATOM 527 O LYS A 37 19.897 -6.032 -4.780 1.00 0.00 O ATOM 528 CB LYS A 37 18.086 -5.554 -7.074 1.00 0.00 C ATOM 529 CG LYS A 37 19.101 -5.578 -8.247 1.00 0.00 C ATOM 530 CD LYS A 37 18.703 -6.537 -9.375 1.00 0.00 C ATOM 531 CE LYS A 37 19.774 -6.629 -10.469 1.00 0.00 C ATOM 532 NZ LYS A 37 19.292 -7.396 -11.649 1.00 0.00 N ATOM 0 H LYS A 37 17.298 -6.188 -4.363 1.00 0.00 H new ATOM 0 HA LYS A 37 17.960 -7.688 -6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.080 -5.437 -7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.283 -4.681 -6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.200 -4.571 -8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.081 -5.865 -7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.526 -7.529 -8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.764 -6.204 -9.817 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.063 -5.625 -10.781 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.667 -7.106 -10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.610 -6.927 -12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.676 -8.362 -11.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.253 -7.436 -11.636 1.00 0.00 H new ATOM 546 N ILE A 38 20.198 -8.054 -5.705 1.00 0.00 N ATOM 547 CA ILE A 38 21.470 -8.333 -5.007 1.00 0.00 C ATOM 548 C ILE A 38 22.648 -8.446 -5.987 1.00 0.00 C ATOM 549 O ILE A 38 22.723 -9.402 -6.764 1.00 0.00 O ATOM 550 CB ILE A 38 21.317 -9.653 -4.187 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.079 -9.535 -3.240 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.609 -9.983 -3.386 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.635 -10.820 -2.607 1.00 0.00 C ATOM 0 H ILE A 38 19.909 -8.790 -6.349 1.00 0.00 H new ATOM 0 HA ILE A 38 21.689 -7.500 -4.339 1.00 0.00 H new ATOM 0 HB ILE A 38 21.158 -10.479 -4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.313 -8.821 -2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.246 -9.121 -3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.465 -10.908 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.444 -10.102 -4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.824 -9.170 -2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.771 -10.632 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.364 -11.534 -3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.447 -11.229 -2.006 1.00 0.00 H new ATOM 565 N GLU A 39 23.555 -7.463 -5.926 1.00 0.00 N ATOM 566 CA GLU A 39 24.838 -7.490 -6.652 1.00 0.00 C ATOM 567 C GLU A 39 25.820 -8.406 -5.904 1.00 0.00 C ATOM 568 O GLU A 39 25.835 -8.443 -4.673 1.00 0.00 O ATOM 569 CB GLU A 39 25.390 -6.048 -6.768 1.00 0.00 C ATOM 570 CG GLU A 39 26.754 -5.889 -7.467 1.00 0.00 C ATOM 571 CD GLU A 39 27.203 -4.417 -7.575 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.411 -3.585 -8.075 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.332 -4.079 -7.161 1.00 0.00 O ATOM 0 H GLU A 39 23.421 -6.619 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 39 24.699 -7.884 -7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.659 -5.445 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.470 -5.631 -5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.507 -6.454 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.698 -6.321 -8.466 1.00 0.00 H new ATOM 580 N THR A 40 26.616 -9.158 -6.661 1.00 0.00 N ATOM 581 CA THR A 40 27.574 -10.121 -6.118 1.00 0.00 C ATOM 582 C THR A 40 28.974 -9.804 -6.660 1.00 0.00 C ATOM 583 O THR A 40 29.188 -9.828 -7.868 1.00 0.00 O ATOM 584 CB THR A 40 27.157 -11.582 -6.491 1.00 0.00 C ATOM 585 OG1 THR A 40 26.823 -11.660 -7.881 1.00 0.00 O ATOM 586 CG2 THR A 40 25.963 -12.080 -5.660 1.00 0.00 C ATOM 0 H THR A 40 26.615 -9.116 -7.680 1.00 0.00 H new ATOM 0 HA THR A 40 27.584 -10.043 -5.031 1.00 0.00 H new ATOM 0 HB THR A 40 28.012 -12.221 -6.270 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.894 -11.956 -7.978 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.713 -13.098 -5.957 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.224 -12.064 -4.602 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.104 -11.431 -5.831 1.00 0.00 H new ATOM 594 N GLN A 41 29.907 -9.464 -5.761 1.00 0.00 N ATOM 595 CA GLN A 41 31.304 -9.163 -6.112 1.00 0.00 C ATOM 596 C GLN A 41 32.232 -10.284 -5.605 1.00 0.00 C ATOM 597 O GLN A 41 32.083 -10.755 -4.478 1.00 0.00 O ATOM 598 CB GLN A 41 31.711 -7.785 -5.517 1.00 0.00 C ATOM 599 CG GLN A 41 30.923 -6.598 -6.109 1.00 0.00 C ATOM 600 CD GLN A 41 31.469 -5.232 -5.699 1.00 0.00 C ATOM 601 OE1 GLN A 41 30.992 -4.592 -4.768 1.00 0.00 O ATOM 602 NE2 GLN A 41 32.533 -4.814 -6.346 1.00 0.00 N ATOM 0 H GLN A 41 29.714 -9.389 -4.762 1.00 0.00 H new ATOM 0 HA GLN A 41 31.402 -9.111 -7.196 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.562 -7.807 -4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.775 -7.625 -5.689 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.934 -6.672 -7.196 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.882 -6.672 -5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.910 -5.365 -7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.982 -3.938 -6.077 1.00 0.00 H new ATOM 611 N GLY A 42 33.175 -10.709 -6.451 1.00 0.00 N ATOM 612 CA GLY A 42 34.148 -11.742 -6.094 1.00 0.00 C ATOM 613 C GLY A 42 35.353 -11.731 -7.020 1.00 0.00 C ATOM 614 O GLY A 42 35.404 -10.930 -7.963 1.00 0.00 O ATOM 0 H GLY A 42 33.284 -10.348 -7.399 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.479 -11.590 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 42 33.669 -12.720 -6.133 1.00 0.00 H new ATOM 618 N ALA A 43 36.314 -12.641 -6.770 1.00 0.00 N ATOM 619 CA ALA A 43 37.556 -12.748 -7.571 1.00 0.00 C ATOM 620 C ALA A 43 37.280 -13.271 -9.002 1.00 0.00 C ATOM 621 O ALA A 43 38.147 -13.186 -9.878 1.00 0.00 O ATOM 622 CB ALA A 43 38.570 -13.645 -6.840 1.00 0.00 C ATOM 0 H ALA A 43 36.255 -13.321 -6.012 1.00 0.00 H new ATOM 0 HA ALA A 43 37.977 -11.748 -7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 43 39.482 -13.721 -7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 43 38.804 -13.212 -5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 43 38.143 -14.638 -6.702 1.00 0.00 H new ATOM 628 N ASP A 44 36.072 -13.826 -9.217 1.00 0.00 N ATOM 629 CA ASP A 44 35.617 -14.301 -10.541 1.00 0.00 C ATOM 630 C ASP A 44 35.013 -13.151 -11.373 1.00 0.00 C ATOM 631 O ASP A 44 35.021 -13.200 -12.611 1.00 0.00 O ATOM 632 CB ASP A 44 34.572 -15.433 -10.370 1.00 0.00 C ATOM 633 CG ASP A 44 35.124 -16.658 -9.625 1.00 0.00 C ATOM 634 OD1 ASP A 44 35.819 -17.487 -10.250 1.00 0.00 O ATOM 635 OD2 ASP A 44 34.876 -16.791 -8.407 1.00 0.00 O ATOM 0 H ASP A 44 35.382 -13.959 -8.478 1.00 0.00 H new ATOM 0 HA ASP A 44 36.485 -14.686 -11.075 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.710 -15.044 -9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 44 34.217 -15.743 -11.353 1.00 0.00 H new ATOM 640 N GLY A 45 34.469 -12.135 -10.682 1.00 0.00 N ATOM 641 CA GLY A 45 33.848 -10.974 -11.333 1.00 0.00 C ATOM 642 C GLY A 45 32.681 -10.410 -10.532 1.00 0.00 C ATOM 643 O GLY A 45 32.600 -10.619 -9.319 1.00 0.00 O ATOM 0 H GLY A 45 34.448 -12.097 -9.663 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.598 -10.196 -11.473 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.498 -11.262 -12.325 1.00 0.00 H new ATOM 647 N ILE A 46 31.773 -9.680 -11.219 1.00 0.00 N ATOM 648 CA ILE A 46 30.567 -9.080 -10.605 1.00 0.00 C ATOM 649 C ILE A 46 29.310 -9.490 -11.401 1.00 0.00 C ATOM 650 O ILE A 46 29.287 -9.398 -12.635 1.00 0.00 O ATOM 651 CB ILE A 46 30.673 -7.504 -10.512 1.00 0.00 C ATOM 652 CG1 ILE A 46 31.941 -7.096 -9.686 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.388 -6.885 -9.894 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.216 -5.606 -9.595 1.00 0.00 C ATOM 0 H ILE A 46 31.857 -9.490 -12.218 1.00 0.00 H new ATOM 0 HA ILE A 46 30.489 -9.460 -9.586 1.00 0.00 H new ATOM 0 HB ILE A 46 30.772 -7.110 -11.523 1.00 0.00 H new ATOM 0 HG12 ILE A 46 31.836 -7.490 -8.675 1.00 0.00 H new ATOM 0 HG13 ILE A 46 32.811 -7.581 -10.128 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.494 -5.801 -9.844 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.528 -7.138 -10.514 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.240 -7.281 -8.889 1.00 0.00 H new ATOM 0 HD11 ILE A 46 33.115 -5.437 -9.002 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.361 -5.201 -10.597 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.370 -5.108 -9.121 1.00 0.00 H new ATOM 666 N GLN A 47 28.268 -9.938 -10.680 1.00 0.00 N ATOM 667 CA GLN A 47 26.995 -10.413 -11.265 1.00 0.00 C ATOM 668 C GLN A 47 25.798 -9.675 -10.631 1.00 0.00 C ATOM 669 O GLN A 47 25.869 -9.256 -9.475 1.00 0.00 O ATOM 670 CB GLN A 47 26.869 -11.946 -11.042 1.00 0.00 C ATOM 671 CG GLN A 47 25.568 -12.612 -11.563 1.00 0.00 C ATOM 672 CD GLN A 47 25.328 -12.476 -13.072 1.00 0.00 C ATOM 673 OE1 GLN A 47 24.185 -12.404 -13.519 1.00 0.00 O ATOM 674 NE2 GLN A 47 26.386 -12.492 -13.872 1.00 0.00 N ATOM 0 H GLN A 47 28.283 -9.982 -9.661 1.00 0.00 H new ATOM 0 HA GLN A 47 26.991 -10.203 -12.335 1.00 0.00 H new ATOM 0 HB2 GLN A 47 27.718 -12.432 -11.522 1.00 0.00 H new ATOM 0 HB3 GLN A 47 26.950 -12.144 -9.973 1.00 0.00 H new ATOM 0 HG2 GLN A 47 25.593 -13.672 -11.309 1.00 0.00 H new ATOM 0 HG3 GLN A 47 24.719 -12.178 -11.035 1.00 0.00 H new ATOM 0 HE21 GLN A 47 27.324 -12.552 -13.476 1.00 0.00 H new ATOM 0 HE22 GLN A 47 26.262 -12.444 -14.883 1.00 0.00 H new ATOM 683 N ASN A 48 24.714 -9.521 -11.430 1.00 0.00 N ATOM 684 CA ASN A 48 23.414 -8.942 -11.000 1.00 0.00 C ATOM 685 C ASN A 48 23.608 -7.477 -10.535 1.00 0.00 C ATOM 686 O ASN A 48 23.016 -7.038 -9.534 1.00 0.00 O ATOM 687 CB ASN A 48 22.738 -9.829 -9.894 1.00 0.00 C ATOM 688 CG ASN A 48 21.202 -9.845 -9.946 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.604 -9.784 -11.019 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.553 -9.923 -8.787 1.00 0.00 N ATOM 0 H ASN A 48 24.717 -9.801 -12.411 1.00 0.00 H new ATOM 0 HA ASN A 48 22.735 -8.932 -11.853 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.104 -10.851 -9.991 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.053 -9.470 -8.914 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.533 -9.933 -8.773 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.075 -9.972 -7.912 1.00 0.00 H new ATOM 697 N ARG A 49 24.446 -6.748 -11.313 1.00 0.00 N ATOM 698 CA ARG A 49 24.861 -5.357 -11.048 1.00 0.00 C ATOM 699 C ARG A 49 23.666 -4.435 -10.718 1.00 0.00 C ATOM 700 O ARG A 49 22.713 -4.314 -11.500 1.00 0.00 O ATOM 701 CB ARG A 49 25.633 -4.803 -12.286 1.00 0.00 C ATOM 702 CG ARG A 49 26.045 -3.313 -12.204 1.00 0.00 C ATOM 703 CD ARG A 49 27.204 -3.043 -11.236 1.00 0.00 C ATOM 704 NE ARG A 49 28.496 -3.457 -11.796 1.00 0.00 N ATOM 705 CZ ARG A 49 29.654 -3.449 -11.140 1.00 0.00 C ATOM 706 NH1 ARG A 49 29.687 -3.313 -9.822 1.00 0.00 N ATOM 707 NH2 ARG A 49 30.782 -3.664 -11.803 1.00 0.00 N ATOM 0 H ARG A 49 24.861 -7.126 -12.165 1.00 0.00 H new ATOM 0 HA ARG A 49 25.508 -5.367 -10.171 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.532 -5.403 -12.430 1.00 0.00 H new ATOM 0 HB3 ARG A 49 25.012 -4.942 -13.171 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.327 -2.969 -13.199 1.00 0.00 H new ATOM 0 HG3 ARG A 49 25.182 -2.723 -11.896 1.00 0.00 H new ATOM 0 HD2 ARG A 49 27.236 -1.980 -10.997 1.00 0.00 H new ATOM 0 HD3 ARG A 49 27.027 -3.575 -10.301 1.00 0.00 H new ATOM 0 HE ARG A 49 28.507 -3.776 -12.765 1.00 0.00 H new ATOM 0 HH11 ARG A 49 28.818 -3.213 -9.298 1.00 0.00 H new ATOM 0 HH12 ARG A 49 30.582 -3.309 -9.332 1.00 0.00 H new ATOM 0 HH21 ARG A 49 30.758 -3.834 -12.808 1.00 0.00 H new ATOM 0 HH22 ARG A 49 31.674 -3.659 -11.308 1.00 0.00 H new ATOM 721 N LEU A 50 23.747 -3.821 -9.532 1.00 0.00 N ATOM 722 CA LEU A 50 22.845 -2.746 -9.091 1.00 0.00 C ATOM 723 C LEU A 50 23.050 -1.483 -9.944 1.00 0.00 C ATOM 724 O LEU A 50 24.155 -1.226 -10.437 1.00 0.00 O ATOM 725 CB LEU A 50 23.124 -2.442 -7.588 1.00 0.00 C ATOM 726 CG LEU A 50 22.646 -3.544 -6.591 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.349 -3.448 -5.222 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.132 -3.475 -6.421 1.00 0.00 C ATOM 0 H LEU A 50 24.454 -4.061 -8.837 1.00 0.00 H new ATOM 0 HA LEU A 50 21.810 -3.065 -9.214 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.196 -2.294 -7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.638 -1.502 -7.327 1.00 0.00 H new ATOM 0 HG LEU A 50 22.919 -4.509 -7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.980 -4.237 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.425 -3.562 -5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.140 -2.477 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.809 -4.248 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.854 -2.496 -6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.650 -3.632 -7.386 1.00 0.00 H new ATOM 740 N THR A 51 21.981 -0.706 -10.130 1.00 0.00 N ATOM 741 CA THR A 51 22.061 0.608 -10.777 1.00 0.00 C ATOM 742 C THR A 51 21.952 1.705 -9.711 1.00 0.00 C ATOM 743 O THR A 51 21.590 1.418 -8.564 1.00 0.00 O ATOM 744 CB THR A 51 20.938 0.779 -11.853 1.00 0.00 C ATOM 745 OG1 THR A 51 19.644 0.861 -11.226 1.00 0.00 O ATOM 746 CG2 THR A 51 20.938 -0.390 -12.860 1.00 0.00 C ATOM 0 H THR A 51 21.039 -0.967 -9.838 1.00 0.00 H new ATOM 0 HA THR A 51 23.021 0.689 -11.287 1.00 0.00 H new ATOM 0 HB THR A 51 21.145 1.705 -12.390 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.423 -0.002 -10.818 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.146 -0.239 -13.593 1.00 0.00 H new ATOM 0 HG22 THR A 51 21.901 -0.431 -13.370 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.768 -1.327 -12.330 1.00 0.00 H new ATOM 754 N ALA A 52 22.258 2.955 -10.097 1.00 0.00 N ATOM 755 CA ALA A 52 22.107 4.125 -9.209 1.00 0.00 C ATOM 756 C ALA A 52 20.645 4.261 -8.741 1.00 0.00 C ATOM 757 O ALA A 52 20.375 4.643 -7.595 1.00 0.00 O ATOM 758 CB ALA A 52 22.571 5.393 -9.934 1.00 0.00 C ATOM 0 H ALA A 52 22.614 3.184 -11.025 1.00 0.00 H new ATOM 0 HA ALA A 52 22.730 3.984 -8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 52 22.457 6.252 -9.273 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.619 5.288 -10.216 1.00 0.00 H new ATOM 0 HB3 ALA A 52 21.968 5.541 -10.830 1.00 0.00 H new ATOM 764 N GLN A 53 19.726 3.890 -9.652 1.00 0.00 N ATOM 765 CA GLN A 53 18.288 3.844 -9.384 1.00 0.00 C ATOM 766 C GLN A 53 17.965 2.796 -8.299 1.00 0.00 C ATOM 767 O GLN A 53 17.267 3.117 -7.354 1.00 0.00 O ATOM 768 CB GLN A 53 17.514 3.528 -10.687 1.00 0.00 C ATOM 769 CG GLN A 53 15.981 3.520 -10.535 1.00 0.00 C ATOM 770 CD GLN A 53 15.258 3.131 -11.824 1.00 0.00 C ATOM 771 OE1 GLN A 53 14.896 3.988 -12.633 1.00 0.00 O ATOM 772 NE2 GLN A 53 15.074 1.833 -12.039 1.00 0.00 N ATOM 0 H GLN A 53 19.970 3.612 -10.603 1.00 0.00 H new ATOM 0 HA GLN A 53 17.975 4.821 -9.015 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.787 4.263 -11.444 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.835 2.554 -11.058 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.703 2.824 -9.744 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.647 4.509 -10.221 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.387 1.152 -11.347 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.620 1.517 -12.896 1.00 0.00 H new ATOM 781 N ASP A 54 18.509 1.560 -8.442 1.00 0.00 N ATOM 782 CA ASP A 54 18.286 0.446 -7.468 1.00 0.00 C ATOM 783 C ASP A 54 18.648 0.862 -6.032 1.00 0.00 C ATOM 784 O ASP A 54 17.919 0.554 -5.082 1.00 0.00 O ATOM 785 CB ASP A 54 19.107 -0.825 -7.846 1.00 0.00 C ATOM 786 CG ASP A 54 18.487 -1.671 -8.971 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.429 -2.289 -8.734 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.048 -1.731 -10.085 1.00 0.00 O ATOM 0 H ASP A 54 19.110 1.303 -9.226 1.00 0.00 H new ATOM 0 HA ASP A 54 17.222 0.213 -7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.109 -0.519 -8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.218 -1.448 -6.959 1.00 0.00 H new ATOM 793 N ILE A 55 19.778 1.575 -5.914 1.00 0.00 N ATOM 794 CA ILE A 55 20.348 2.004 -4.623 1.00 0.00 C ATOM 795 C ILE A 55 19.545 3.187 -4.026 1.00 0.00 C ATOM 796 O ILE A 55 19.476 3.354 -2.801 1.00 0.00 O ATOM 797 CB ILE A 55 21.873 2.378 -4.807 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.633 1.227 -5.546 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.556 2.689 -3.455 1.00 0.00 C ATOM 800 CD1 ILE A 55 24.062 1.553 -5.945 1.00 0.00 C ATOM 0 H ILE A 55 20.329 1.874 -6.719 1.00 0.00 H new ATOM 0 HA ILE A 55 20.278 1.177 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 55 21.917 3.282 -5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.643 0.347 -4.903 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.074 0.960 -6.442 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.603 2.941 -3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.053 3.530 -2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.494 1.815 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.504 0.694 -6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.065 2.411 -6.618 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.644 1.789 -5.054 1.00 0.00 H new ATOM 812 N ALA A 56 18.922 3.984 -4.916 1.00 0.00 N ATOM 813 CA ALA A 56 18.055 5.113 -4.530 1.00 0.00 C ATOM 814 C ALA A 56 16.683 4.614 -4.026 1.00 0.00 C ATOM 815 O ALA A 56 16.186 5.072 -2.990 1.00 0.00 O ATOM 816 CB ALA A 56 17.887 6.067 -5.720 1.00 0.00 C ATOM 0 H ALA A 56 19.007 3.862 -5.925 1.00 0.00 H new ATOM 0 HA ALA A 56 18.528 5.652 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.246 6.900 -5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.863 6.448 -6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.433 5.532 -6.554 1.00 0.00 H new ATOM 822 N GLU A 57 16.097 3.664 -4.782 1.00 0.00 N ATOM 823 CA GLU A 57 14.798 3.026 -4.464 1.00 0.00 C ATOM 824 C GLU A 57 14.870 2.285 -3.125 1.00 0.00 C ATOM 825 O GLU A 57 13.882 2.223 -2.382 1.00 0.00 O ATOM 826 CB GLU A 57 14.419 1.996 -5.562 1.00 0.00 C ATOM 827 CG GLU A 57 14.230 2.574 -6.972 1.00 0.00 C ATOM 828 CD GLU A 57 14.049 1.484 -8.040 1.00 0.00 C ATOM 829 OE1 GLU A 57 15.053 0.862 -8.446 1.00 0.00 O ATOM 830 OE2 GLU A 57 12.903 1.222 -8.460 1.00 0.00 O ATOM 0 H GLU A 57 16.516 3.312 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 57 14.049 3.816 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.195 1.232 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.496 1.498 -5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.360 3.230 -6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.094 3.188 -7.228 1.00 0.00 H new ATOM 837 N ALA A 58 16.061 1.706 -2.877 1.00 0.00 N ATOM 838 CA ALA A 58 16.345 0.840 -1.731 1.00 0.00 C ATOM 839 C ALA A 58 15.972 1.495 -0.388 1.00 0.00 C ATOM 840 O ALA A 58 16.689 2.366 0.124 1.00 0.00 O ATOM 841 CB ALA A 58 17.822 0.430 -1.742 1.00 0.00 C ATOM 0 H ALA A 58 16.868 1.835 -3.487 1.00 0.00 H new ATOM 0 HA ALA A 58 15.720 -0.048 -1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.027 -0.214 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 58 18.043 -0.109 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.447 1.321 -1.683 1.00 0.00 H new ATOM 847 N THR A 59 14.806 1.087 0.128 1.00 0.00 N ATOM 848 CA THR A 59 14.371 1.372 1.499 1.00 0.00 C ATOM 849 C THR A 59 15.337 0.682 2.489 1.00 0.00 C ATOM 850 O THR A 59 15.667 1.220 3.554 1.00 0.00 O ATOM 851 CB THR A 59 12.907 0.848 1.704 1.00 0.00 C ATOM 852 OG1 THR A 59 12.059 1.380 0.666 1.00 0.00 O ATOM 853 CG2 THR A 59 12.328 1.214 3.087 1.00 0.00 C ATOM 0 H THR A 59 14.129 0.541 -0.404 1.00 0.00 H new ATOM 0 HA THR A 59 14.384 2.447 1.680 1.00 0.00 H new ATOM 0 HB THR A 59 12.941 -0.240 1.651 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.144 1.052 0.791 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.313 0.825 3.171 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.950 0.778 3.869 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.312 2.298 3.199 1.00 0.00 H new ATOM 861 N ILE A 60 15.795 -0.521 2.086 1.00 0.00 N ATOM 862 CA ILE A 60 16.740 -1.349 2.852 1.00 0.00 C ATOM 863 C ILE A 60 17.914 -1.776 1.946 1.00 0.00 C ATOM 864 O ILE A 60 17.715 -2.071 0.764 1.00 0.00 O ATOM 865 CB ILE A 60 16.017 -2.633 3.427 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.836 -2.238 4.377 1.00 0.00 C ATOM 867 CG2 ILE A 60 17.016 -3.568 4.151 1.00 0.00 C ATOM 868 CD1 ILE A 60 13.991 -3.390 4.899 1.00 0.00 C ATOM 0 H ILE A 60 15.512 -0.948 1.204 1.00 0.00 H new ATOM 0 HA ILE A 60 17.120 -0.759 3.686 1.00 0.00 H new ATOM 0 HB ILE A 60 15.602 -3.181 2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.246 -1.698 5.230 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.183 -1.546 3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.486 -4.440 4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.786 -3.890 3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.480 -3.033 4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.205 -3.001 5.546 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.541 -3.921 4.060 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.621 -4.075 5.466 1.00 0.00 H new ATOM 880 N ILE A 61 19.139 -1.774 2.512 1.00 0.00 N ATOM 881 CA ILE A 61 20.356 -2.311 1.861 1.00 0.00 C ATOM 882 C ILE A 61 21.046 -3.258 2.854 1.00 0.00 C ATOM 883 O ILE A 61 21.036 -2.982 4.051 1.00 0.00 O ATOM 884 CB ILE A 61 21.367 -1.165 1.453 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.635 -0.040 0.652 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.576 -1.732 0.652 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.501 1.124 0.232 1.00 0.00 C ATOM 0 H ILE A 61 19.314 -1.396 3.443 1.00 0.00 H new ATOM 0 HA ILE A 61 20.062 -2.830 0.948 1.00 0.00 H new ATOM 0 HB ILE A 61 21.761 -0.725 2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.192 -0.482 -0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.814 0.340 1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.251 -0.918 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.108 -2.461 1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.216 -2.215 -0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.897 1.847 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.924 1.601 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.308 0.765 -0.407 1.00 0.00 H new ATOM 899 N ILE A 62 21.606 -4.389 2.377 1.00 0.00 N ATOM 900 CA ILE A 62 22.433 -5.293 3.219 1.00 0.00 C ATOM 901 C ILE A 62 23.793 -5.543 2.531 1.00 0.00 C ATOM 902 O ILE A 62 23.834 -6.183 1.491 1.00 0.00 O ATOM 903 CB ILE A 62 21.752 -6.707 3.509 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.340 -6.594 4.185 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.675 -7.585 4.390 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.183 -6.331 3.240 1.00 0.00 C ATOM 0 H ILE A 62 21.503 -4.703 1.412 1.00 0.00 H new ATOM 0 HA ILE A 62 22.551 -4.786 4.177 1.00 0.00 H new ATOM 0 HB ILE A 62 21.605 -7.173 2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.141 -7.519 4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.373 -5.793 4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.194 -8.545 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.622 -7.748 3.875 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.860 -7.081 5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.255 -6.271 3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.349 -5.390 2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.113 -7.143 2.516 1.00 0.00 H new ATOM 918 N HIS A 63 24.909 -5.048 3.105 1.00 0.00 N ATOM 919 CA HIS A 63 26.261 -5.417 2.612 1.00 0.00 C ATOM 920 C HIS A 63 26.740 -6.673 3.341 1.00 0.00 C ATOM 921 O HIS A 63 27.434 -6.608 4.355 1.00 0.00 O ATOM 922 CB HIS A 63 27.289 -4.250 2.725 1.00 0.00 C ATOM 923 CG HIS A 63 27.285 -3.315 1.543 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.380 -2.552 1.224 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.307 -3.077 0.631 1.00 0.00 C ATOM 926 CE1 HIS A 63 28.051 -1.885 0.142 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.805 -2.169 -0.254 1.00 0.00 N ATOM 0 H HIS A 63 24.908 -4.404 3.896 1.00 0.00 H new ATOM 0 HA HIS A 63 26.185 -5.629 1.546 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.077 -3.678 3.628 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.288 -4.669 2.841 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.323 -3.522 0.611 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.706 -1.192 -0.366 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.321 -1.780 -1.063 1.00 0.00 H new ATOM 935 N SER A 64 26.303 -7.815 2.813 1.00 0.00 N ATOM 936 CA SER A 64 26.683 -9.136 3.287 1.00 0.00 C ATOM 937 C SER A 64 28.061 -9.501 2.721 1.00 0.00 C ATOM 938 O SER A 64 28.180 -10.200 1.704 1.00 0.00 O ATOM 939 CB SER A 64 25.600 -10.138 2.855 1.00 0.00 C ATOM 940 OG SER A 64 25.300 -10.023 1.470 1.00 0.00 O ATOM 0 H SER A 64 25.658 -7.843 2.023 1.00 0.00 H new ATOM 0 HA SER A 64 26.758 -9.157 4.374 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.935 -11.152 3.072 1.00 0.00 H new ATOM 0 HB3 SER A 64 24.695 -9.970 3.439 1.00 0.00 H new ATOM 0 HG SER A 64 24.478 -9.502 1.356 1.00 0.00 H new ATOM 946 N VAL A 65 29.111 -8.966 3.350 1.00 0.00 N ATOM 947 CA VAL A 65 30.476 -9.045 2.818 1.00 0.00 C ATOM 948 C VAL A 65 31.457 -9.633 3.841 1.00 0.00 C ATOM 949 O VAL A 65 31.170 -9.719 5.042 1.00 0.00 O ATOM 950 CB VAL A 65 30.950 -7.626 2.310 1.00 0.00 C ATOM 951 CG1 VAL A 65 29.993 -7.088 1.214 1.00 0.00 C ATOM 952 CG2 VAL A 65 31.083 -6.602 3.465 1.00 0.00 C ATOM 0 H VAL A 65 29.041 -8.468 4.238 1.00 0.00 H new ATOM 0 HA VAL A 65 30.465 -9.728 1.968 1.00 0.00 H new ATOM 0 HB VAL A 65 31.943 -7.757 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.338 -6.110 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 65 29.981 -7.778 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 65 28.986 -6.997 1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.411 -5.643 3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.117 -6.479 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.814 -6.963 4.189 1.00 0.00 H new ATOM 962 N ALA A 66 32.600 -10.089 3.315 1.00 0.00 N ATOM 963 CA ALA A 66 33.737 -10.604 4.096 1.00 0.00 C ATOM 964 C ALA A 66 35.006 -9.801 3.752 1.00 0.00 C ATOM 965 O ALA A 66 35.996 -9.830 4.484 1.00 0.00 O ATOM 966 CB ALA A 66 33.931 -12.097 3.809 1.00 0.00 C ATOM 0 H ALA A 66 32.767 -10.112 2.309 1.00 0.00 H new ATOM 0 HA ALA A 66 33.535 -10.487 5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.774 -12.473 4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.028 -12.641 4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.129 -12.241 2.747 1.00 0.00 H new ATOM 972 N VAL A 67 34.948 -9.087 2.615 1.00 0.00 N ATOM 973 CA VAL A 67 35.988 -8.146 2.161 1.00 0.00 C ATOM 974 C VAL A 67 35.310 -6.839 1.750 1.00 0.00 C ATOM 975 O VAL A 67 34.100 -6.832 1.487 1.00 0.00 O ATOM 976 CB VAL A 67 36.837 -8.711 0.953 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.817 -9.811 1.425 1.00 0.00 C ATOM 978 CG2 VAL A 67 35.919 -9.224 -0.199 1.00 0.00 C ATOM 0 H VAL A 67 34.159 -9.149 1.971 1.00 0.00 H new ATOM 0 HA VAL A 67 36.683 -7.986 2.985 1.00 0.00 H new ATOM 0 HB VAL A 67 37.430 -7.888 0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.387 -10.181 0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.500 -9.396 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 67 37.255 -10.633 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.535 -9.605 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 67 35.277 -10.022 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 67 35.302 -8.404 -0.565 1.00 0.00 H new ATOM 988 N THR A 68 36.088 -5.742 1.723 1.00 0.00 N ATOM 989 CA THR A 68 35.593 -4.432 1.295 1.00 0.00 C ATOM 990 C THR A 68 35.194 -4.489 -0.195 1.00 0.00 C ATOM 991 O THR A 68 36.071 -4.676 -1.053 1.00 0.00 O ATOM 992 CB THR A 68 36.665 -3.319 1.544 1.00 0.00 C ATOM 993 OG1 THR A 68 37.021 -3.314 2.941 1.00 0.00 O ATOM 994 CG2 THR A 68 36.163 -1.913 1.129 1.00 0.00 C ATOM 0 H THR A 68 37.071 -5.744 1.996 1.00 0.00 H new ATOM 0 HA THR A 68 34.713 -4.178 1.886 1.00 0.00 H new ATOM 0 HB THR A 68 37.534 -3.547 0.926 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.694 -2.620 3.105 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.943 -1.177 1.322 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.918 -1.913 0.067 1.00 0.00 H new ATOM 0 HG23 THR A 68 35.274 -1.659 1.706 1.00 0.00 H new ATOM 1002 N PRO A 69 33.862 -4.379 -0.523 1.00 0.00 N ATOM 1003 CA PRO A 69 33.390 -4.441 -1.916 1.00 0.00 C ATOM 1004 C PRO A 69 33.857 -3.201 -2.704 1.00 0.00 C ATOM 1005 O PRO A 69 33.878 -2.091 -2.162 1.00 0.00 O ATOM 1006 CB PRO A 69 31.850 -4.507 -1.779 1.00 0.00 C ATOM 1007 CG PRO A 69 31.541 -3.855 -0.467 1.00 0.00 C ATOM 1008 CD PRO A 69 32.722 -4.163 0.431 1.00 0.00 C ATOM 0 HA PRO A 69 33.784 -5.293 -2.471 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.359 -3.987 -2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.497 -5.538 -1.798 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.409 -2.780 -0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.615 -4.245 -0.044 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.926 -3.341 1.117 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.539 -5.048 1.040 1.00 0.00 H new ATOM 1016 N GLU A 70 34.220 -3.402 -3.979 1.00 0.00 N ATOM 1017 CA GLU A 70 34.822 -2.344 -4.824 1.00 0.00 C ATOM 1018 C GLU A 70 33.833 -1.197 -5.086 1.00 0.00 C ATOM 1019 O GLU A 70 34.225 -0.076 -5.425 1.00 0.00 O ATOM 1020 CB GLU A 70 35.299 -2.951 -6.174 1.00 0.00 C ATOM 1021 CG GLU A 70 36.226 -4.170 -6.041 1.00 0.00 C ATOM 1022 CD GLU A 70 37.530 -3.853 -5.287 1.00 0.00 C ATOM 1023 OE1 GLU A 70 38.451 -3.273 -5.903 1.00 0.00 O ATOM 1024 OE2 GLU A 70 37.628 -4.165 -4.078 1.00 0.00 O ATOM 0 H GLU A 70 34.108 -4.296 -4.458 1.00 0.00 H new ATOM 0 HA GLU A 70 35.676 -1.933 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 70 34.424 -3.240 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.818 -2.178 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.696 -4.968 -5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 70 36.469 -4.545 -7.035 1.00 0.00 H new ATOM 1031 N ASP A 71 32.546 -1.510 -4.941 1.00 0.00 N ATOM 1032 CA ASP A 71 31.437 -0.603 -5.253 1.00 0.00 C ATOM 1033 C ASP A 71 30.786 -0.008 -3.997 1.00 0.00 C ATOM 1034 O ASP A 71 29.742 0.639 -4.105 1.00 0.00 O ATOM 1035 CB ASP A 71 30.424 -1.384 -6.117 1.00 0.00 C ATOM 1036 CG ASP A 71 30.942 -1.609 -7.547 1.00 0.00 C ATOM 1037 OD1 ASP A 71 31.714 -2.556 -7.776 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.613 -0.803 -8.440 1.00 0.00 O ATOM 0 H ASP A 71 32.237 -2.419 -4.597 1.00 0.00 H new ATOM 0 HA ASP A 71 31.816 0.258 -5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 71 30.216 -2.347 -5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.482 -0.838 -6.154 1.00 0.00 H new ATOM 1043 N ASN A 72 31.441 -0.160 -2.824 1.00 0.00 N ATOM 1044 CA ASN A 72 30.895 0.287 -1.512 1.00 0.00 C ATOM 1045 C ASN A 72 30.623 1.821 -1.474 1.00 0.00 C ATOM 1046 O ASN A 72 29.765 2.293 -0.724 1.00 0.00 O ATOM 1047 CB ASN A 72 31.862 -0.138 -0.361 1.00 0.00 C ATOM 1048 CG ASN A 72 33.068 0.792 -0.170 1.00 0.00 C ATOM 1049 OD1 ASN A 72 33.015 1.751 0.606 1.00 0.00 O ATOM 1050 ND2 ASN A 72 34.156 0.520 -0.866 1.00 0.00 N ATOM 0 H ASN A 72 32.361 -0.594 -2.755 1.00 0.00 H new ATOM 0 HA ASN A 72 29.932 -0.203 -1.370 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.300 -0.180 0.572 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.224 -1.146 -0.561 1.00 0.00 H new ATOM 0 HD21 ASN A 72 34.983 1.109 -0.770 1.00 0.00 H new ATOM 0 HD22 ASN A 72 34.170 -0.279 -1.499 1.00 0.00 H new ATOM 1057 N GLU A 73 31.359 2.558 -2.330 1.00 0.00 N ATOM 1058 CA GLU A 73 31.280 4.031 -2.464 1.00 0.00 C ATOM 1059 C GLU A 73 29.875 4.528 -2.895 1.00 0.00 C ATOM 1060 O GLU A 73 29.454 5.615 -2.510 1.00 0.00 O ATOM 1061 CB GLU A 73 32.349 4.492 -3.485 1.00 0.00 C ATOM 1062 CG GLU A 73 32.195 3.863 -4.892 1.00 0.00 C ATOM 1063 CD GLU A 73 33.323 4.247 -5.865 1.00 0.00 C ATOM 1064 OE1 GLU A 73 33.255 5.339 -6.469 1.00 0.00 O ATOM 1065 OE2 GLU A 73 34.277 3.456 -6.030 1.00 0.00 O ATOM 0 H GLU A 73 32.041 2.139 -2.962 1.00 0.00 H new ATOM 0 HA GLU A 73 31.468 4.467 -1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 73 32.303 5.577 -3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.337 4.247 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 73 32.165 2.778 -4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 73 31.240 4.172 -5.316 1.00 0.00 H new ATOM 1072 N ARG A 74 29.174 3.714 -3.700 1.00 0.00 N ATOM 1073 CA ARG A 74 27.820 4.020 -4.227 1.00 0.00 C ATOM 1074 C ARG A 74 26.763 4.016 -3.108 1.00 0.00 C ATOM 1075 O ARG A 74 25.714 4.659 -3.205 1.00 0.00 O ATOM 1076 CB ARG A 74 27.479 2.954 -5.294 1.00 0.00 C ATOM 1077 CG ARG A 74 28.477 2.922 -6.473 1.00 0.00 C ATOM 1078 CD ARG A 74 28.521 1.572 -7.201 1.00 0.00 C ATOM 1079 NE ARG A 74 27.216 1.123 -7.719 1.00 0.00 N ATOM 1080 CZ ARG A 74 26.791 -0.157 -7.709 1.00 0.00 C ATOM 1081 NH1 ARG A 74 27.388 -1.069 -6.963 1.00 0.00 N ATOM 1082 NH2 ARG A 74 25.723 -0.498 -8.379 1.00 0.00 N ATOM 0 H ARG A 74 29.530 2.811 -4.012 1.00 0.00 H new ATOM 0 HA ARG A 74 27.815 5.019 -4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.456 1.972 -4.821 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.478 3.145 -5.681 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.210 3.702 -7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.474 3.158 -6.101 1.00 0.00 H new ATOM 0 HD2 ARG A 74 29.224 1.642 -8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 74 28.908 0.816 -6.518 1.00 0.00 H new ATOM 0 HE ARG A 74 26.592 1.828 -8.112 1.00 0.00 H new ATOM 0 HH11 ARG A 74 28.185 -0.810 -6.381 1.00 0.00 H new ATOM 0 HH12 ARG A 74 27.052 -2.032 -6.969 1.00 0.00 H new ATOM 0 HH21 ARG A 74 25.209 0.204 -8.911 1.00 0.00 H new ATOM 0 HH22 ARG A 74 25.403 -1.466 -8.370 1.00 0.00 H new ATOM 1096 N PHE A 75 27.085 3.263 -2.057 1.00 0.00 N ATOM 1097 CA PHE A 75 26.208 3.016 -0.901 1.00 0.00 C ATOM 1098 C PHE A 75 26.636 3.862 0.318 1.00 0.00 C ATOM 1099 O PHE A 75 25.984 3.807 1.364 1.00 0.00 O ATOM 1100 CB PHE A 75 26.258 1.505 -0.551 1.00 0.00 C ATOM 1101 CG PHE A 75 26.015 0.576 -1.736 1.00 0.00 C ATOM 1102 CD1 PHE A 75 27.060 0.238 -2.595 1.00 0.00 C ATOM 1103 CD2 PHE A 75 24.758 0.050 -1.999 1.00 0.00 C ATOM 1104 CE1 PHE A 75 26.861 -0.601 -3.664 1.00 0.00 C ATOM 1105 CE2 PHE A 75 24.563 -0.793 -3.072 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.614 -1.112 -3.908 1.00 0.00 C ATOM 0 H PHE A 75 27.987 2.793 -1.979 1.00 0.00 H new ATOM 0 HA PHE A 75 25.190 3.306 -1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 75 27.232 1.276 -0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.513 1.297 0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 75 28.045 0.644 -2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 75 23.926 0.303 -1.358 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.687 -0.857 -4.311 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.583 -1.206 -3.260 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.453 -1.764 -4.754 1.00 0.00 H new ATOM 1116 N GLU A 76 27.739 4.636 0.159 1.00 0.00 N ATOM 1117 CA GLU A 76 28.321 5.506 1.216 1.00 0.00 C ATOM 1118 C GLU A 76 27.280 6.491 1.790 1.00 0.00 C ATOM 1119 O GLU A 76 27.209 6.705 3.006 1.00 0.00 O ATOM 1120 CB GLU A 76 29.523 6.297 0.617 1.00 0.00 C ATOM 1121 CG GLU A 76 30.205 7.328 1.553 1.00 0.00 C ATOM 1122 CD GLU A 76 30.963 6.685 2.728 1.00 0.00 C ATOM 1123 OE1 GLU A 76 32.126 6.263 2.531 1.00 0.00 O ATOM 1124 OE2 GLU A 76 30.402 6.578 3.843 1.00 0.00 O ATOM 0 H GLU A 76 28.257 4.675 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 76 28.655 4.870 2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 76 30.277 5.579 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 76 29.177 6.821 -0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 76 30.900 7.932 0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 76 29.447 8.005 1.947 1.00 0.00 H new ATOM 1131 N SER A 77 26.485 7.080 0.891 1.00 0.00 N ATOM 1132 CA SER A 77 25.474 8.094 1.236 1.00 0.00 C ATOM 1133 C SER A 77 24.155 7.464 1.726 1.00 0.00 C ATOM 1134 O SER A 77 23.310 8.155 2.303 1.00 0.00 O ATOM 1135 CB SER A 77 25.218 8.968 -0.009 1.00 0.00 C ATOM 1136 OG SER A 77 24.836 8.166 -1.122 1.00 0.00 O ATOM 0 H SER A 77 26.523 6.867 -0.106 1.00 0.00 H new ATOM 0 HA SER A 77 25.855 8.698 2.059 1.00 0.00 H new ATOM 0 HB2 SER A 77 24.435 9.695 0.207 1.00 0.00 H new ATOM 0 HB3 SER A 77 26.118 9.532 -0.254 1.00 0.00 H new ATOM 0 HG SER A 77 24.677 8.740 -1.900 1.00 0.00 H new ATOM 1142 N ARG A 78 24.006 6.154 1.505 1.00 0.00 N ATOM 1143 CA ARG A 78 22.735 5.434 1.688 1.00 0.00 C ATOM 1144 C ARG A 78 22.733 4.609 2.984 1.00 0.00 C ATOM 1145 O ARG A 78 23.786 4.366 3.584 1.00 0.00 O ATOM 1146 CB ARG A 78 22.498 4.537 0.452 1.00 0.00 C ATOM 1147 CG ARG A 78 22.410 5.311 -0.883 1.00 0.00 C ATOM 1148 CD ARG A 78 21.168 6.213 -0.972 1.00 0.00 C ATOM 1149 NE ARG A 78 21.116 6.956 -2.247 1.00 0.00 N ATOM 1150 CZ ARG A 78 20.048 7.621 -2.714 1.00 0.00 C ATOM 1151 NH1 ARG A 78 18.873 7.575 -2.084 1.00 0.00 N ATOM 1152 NH2 ARG A 78 20.147 8.303 -3.849 1.00 0.00 N ATOM 0 H ARG A 78 24.770 5.555 1.191 1.00 0.00 H new ATOM 0 HA ARG A 78 21.922 6.155 1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 78 23.306 3.809 0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.575 3.976 0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 78 23.305 5.921 -1.003 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.396 4.600 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 78 20.270 5.604 -0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.171 6.918 -0.141 1.00 0.00 H new ATOM 0 HE ARG A 78 21.960 6.964 -2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 78 18.773 7.027 -1.230 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.074 8.088 -2.457 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.030 8.319 -4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 78 19.340 8.811 -4.211 1.00 0.00 H new ATOM 1166 N ASP A 79 21.526 4.183 3.402 1.00 0.00 N ATOM 1167 CA ASP A 79 21.311 3.431 4.649 1.00 0.00 C ATOM 1168 C ASP A 79 21.585 1.938 4.420 1.00 0.00 C ATOM 1169 O ASP A 79 20.741 1.209 3.871 1.00 0.00 O ATOM 1170 CB ASP A 79 19.864 3.653 5.156 1.00 0.00 C ATOM 1171 CG ASP A 79 19.547 5.135 5.421 1.00 0.00 C ATOM 1172 OD1 ASP A 79 20.122 5.708 6.369 1.00 0.00 O ATOM 1173 OD2 ASP A 79 18.719 5.730 4.696 1.00 0.00 O ATOM 0 H ASP A 79 20.667 4.353 2.878 1.00 0.00 H new ATOM 0 HA ASP A 79 22.003 3.793 5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.162 3.262 4.420 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.714 3.084 6.074 1.00 0.00 H new ATOM 1178 N VAL A 80 22.789 1.502 4.818 1.00 0.00 N ATOM 1179 CA VAL A 80 23.277 0.136 4.587 1.00 0.00 C ATOM 1180 C VAL A 80 23.400 -0.621 5.912 1.00 0.00 C ATOM 1181 O VAL A 80 23.909 -0.091 6.903 1.00 0.00 O ATOM 1182 CB VAL A 80 24.667 0.137 3.854 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.154 -1.296 3.559 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.606 0.983 2.570 1.00 0.00 C ATOM 0 H VAL A 80 23.456 2.093 5.313 1.00 0.00 H new ATOM 0 HA VAL A 80 22.550 -0.365 3.948 1.00 0.00 H new ATOM 0 HB VAL A 80 25.396 0.593 4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 80 26.118 -1.256 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.259 -1.844 4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.429 -1.802 2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.579 0.970 2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.854 0.570 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.341 2.010 2.823 1.00 0.00 H new ATOM 1194 N TYR A 81 22.930 -1.873 5.898 1.00 0.00 N ATOM 1195 CA TYR A 81 23.037 -2.811 7.015 1.00 0.00 C ATOM 1196 C TYR A 81 24.140 -3.815 6.665 1.00 0.00 C ATOM 1197 O TYR A 81 23.902 -4.850 6.030 1.00 0.00 O ATOM 1198 CB TYR A 81 21.659 -3.488 7.275 1.00 0.00 C ATOM 1199 CG TYR A 81 20.589 -2.473 7.727 1.00 0.00 C ATOM 1200 CD1 TYR A 81 19.921 -1.658 6.802 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.287 -2.298 9.079 1.00 0.00 C ATOM 1202 CE1 TYR A 81 19.002 -0.712 7.210 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.360 -1.359 9.487 1.00 0.00 C ATOM 1204 CZ TYR A 81 18.723 -0.567 8.553 1.00 0.00 C ATOM 1205 OH TYR A 81 17.805 0.375 8.963 1.00 0.00 O ATOM 0 H TYR A 81 22.453 -2.270 5.088 1.00 0.00 H new ATOM 0 HA TYR A 81 23.305 -2.306 7.943 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.324 -3.987 6.366 1.00 0.00 H new ATOM 0 HB3 TYR A 81 21.772 -4.258 8.038 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.130 -1.773 5.749 1.00 0.00 H new ATOM 0 HD2 TYR A 81 20.787 -2.907 9.818 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.504 -0.089 6.482 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.134 -1.244 10.537 1.00 0.00 H new ATOM 0 HH TYR A 81 17.723 0.349 9.939 1.00 0.00 H new ATOM 1215 N GLU A 82 25.368 -3.445 7.038 1.00 0.00 N ATOM 1216 CA GLU A 82 26.585 -4.172 6.659 1.00 0.00 C ATOM 1217 C GLU A 82 26.856 -5.296 7.677 1.00 0.00 C ATOM 1218 O GLU A 82 27.083 -5.039 8.860 1.00 0.00 O ATOM 1219 CB GLU A 82 27.757 -3.157 6.535 1.00 0.00 C ATOM 1220 CG GLU A 82 29.102 -3.711 5.992 1.00 0.00 C ATOM 1221 CD GLU A 82 29.974 -4.397 7.059 1.00 0.00 C ATOM 1222 OE1 GLU A 82 30.387 -3.710 8.020 1.00 0.00 O ATOM 1223 OE2 GLU A 82 30.271 -5.607 6.940 1.00 0.00 O ATOM 0 H GLU A 82 25.548 -2.625 7.617 1.00 0.00 H new ATOM 0 HA GLU A 82 26.469 -4.655 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 82 27.436 -2.344 5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 82 27.939 -2.725 7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 82 28.894 -4.424 5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 82 29.667 -2.892 5.547 1.00 0.00 H new ATOM 1230 N ILE A 83 26.798 -6.540 7.188 1.00 0.00 N ATOM 1231 CA ILE A 83 27.012 -7.767 7.983 1.00 0.00 C ATOM 1232 C ILE A 83 28.102 -8.643 7.325 1.00 0.00 C ATOM 1233 O ILE A 83 28.754 -8.237 6.350 1.00 0.00 O ATOM 1234 CB ILE A 83 25.684 -8.614 8.086 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.204 -9.037 6.658 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.571 -7.856 8.854 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.114 -10.077 6.629 1.00 0.00 C ATOM 0 H ILE A 83 26.597 -6.732 6.207 1.00 0.00 H new ATOM 0 HA ILE A 83 27.324 -7.463 8.982 1.00 0.00 H new ATOM 0 HB ILE A 83 25.903 -9.514 8.661 1.00 0.00 H new ATOM 0 HG12 ILE A 83 24.851 -8.149 6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.061 -9.417 6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.675 -8.475 8.901 1.00 0.00 H new ATOM 0 HG22 ILE A 83 24.913 -7.634 9.865 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.341 -6.925 8.336 1.00 0.00 H new ATOM 0 HD11 ILE A 83 23.852 -10.301 5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.464 -10.985 7.120 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.236 -9.698 7.151 1.00 0.00 H new ATOM 1249 N THR A 84 28.277 -9.858 7.869 1.00 0.00 N ATOM 1250 CA THR A 84 29.096 -10.898 7.256 1.00 0.00 C ATOM 1251 C THR A 84 28.300 -11.655 6.184 1.00 0.00 C ATOM 1252 O THR A 84 27.081 -11.833 6.303 1.00 0.00 O ATOM 1253 CB THR A 84 29.616 -11.901 8.330 1.00 0.00 C ATOM 1254 OG1 THR A 84 28.548 -12.292 9.209 1.00 0.00 O ATOM 1255 CG2 THR A 84 30.770 -11.301 9.137 1.00 0.00 C ATOM 0 H THR A 84 27.849 -10.141 8.751 1.00 0.00 H new ATOM 0 HA THR A 84 29.951 -10.413 6.785 1.00 0.00 H new ATOM 0 HB THR A 84 29.989 -12.783 7.810 1.00 0.00 H new ATOM 0 HG1 THR A 84 28.889 -12.923 9.877 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.111 -12.024 9.878 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.593 -11.053 8.466 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.429 -10.397 9.642 1.00 0.00 H new ATOM 1263 N LEU A 85 29.018 -12.100 5.140 1.00 0.00 N ATOM 1264 CA LEU A 85 28.439 -12.907 4.041 1.00 0.00 C ATOM 1265 C LEU A 85 27.903 -14.260 4.558 1.00 0.00 C ATOM 1266 O LEU A 85 26.969 -14.827 3.984 1.00 0.00 O ATOM 1267 CB LEU A 85 29.500 -13.086 2.916 1.00 0.00 C ATOM 1268 CG LEU A 85 28.994 -13.708 1.554 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.646 -13.024 0.336 1.00 0.00 C ATOM 1270 CD2 LEU A 85 29.217 -15.240 1.495 1.00 0.00 C ATOM 0 H LEU A 85 30.015 -11.914 5.029 1.00 0.00 H new ATOM 0 HA LEU A 85 27.582 -12.380 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.937 -12.111 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.301 -13.717 3.301 1.00 0.00 H new ATOM 0 HG LEU A 85 27.920 -13.524 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.272 -13.480 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.400 -11.962 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.728 -13.145 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.854 -15.624 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 85 30.281 -15.457 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.673 -15.718 2.309 1.00 0.00 H new ATOM 1282 N GLN A 86 28.500 -14.760 5.658 1.00 0.00 N ATOM 1283 CA GLN A 86 28.059 -16.006 6.306 1.00 0.00 C ATOM 1284 C GLN A 86 26.704 -15.813 7.017 1.00 0.00 C ATOM 1285 O GLN A 86 25.842 -16.694 6.948 1.00 0.00 O ATOM 1286 CB GLN A 86 29.130 -16.510 7.303 1.00 0.00 C ATOM 1287 CG GLN A 86 28.762 -17.836 8.003 1.00 0.00 C ATOM 1288 CD GLN A 86 29.827 -18.390 8.955 1.00 0.00 C ATOM 1289 OE1 GLN A 86 29.964 -19.604 9.090 1.00 0.00 O ATOM 1290 NE2 GLN A 86 30.540 -17.519 9.666 1.00 0.00 N ATOM 0 H GLN A 86 29.294 -14.314 6.117 1.00 0.00 H new ATOM 0 HA GLN A 86 27.927 -16.760 5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.073 -16.641 6.772 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.295 -15.744 8.061 1.00 0.00 H new ATOM 0 HG2 GLN A 86 27.839 -17.688 8.563 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.555 -18.586 7.239 1.00 0.00 H new ATOM 0 HE21 GLN A 86 30.403 -16.517 9.531 1.00 0.00 H new ATOM 0 HE22 GLN A 86 31.223 -17.853 10.346 1.00 0.00 H new ATOM 1299 N ASP A 87 26.527 -14.646 7.687 1.00 0.00 N ATOM 1300 CA ASP A 87 25.253 -14.282 8.361 1.00 0.00 C ATOM 1301 C ASP A 87 24.108 -14.238 7.341 1.00 0.00 C ATOM 1302 O ASP A 87 22.980 -14.584 7.652 1.00 0.00 O ATOM 1303 CB ASP A 87 25.358 -12.915 9.099 1.00 0.00 C ATOM 1304 CG ASP A 87 24.213 -12.669 10.106 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.101 -13.440 11.082 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.428 -11.708 9.936 1.00 0.00 O ATOM 0 H ASP A 87 27.255 -13.937 7.775 1.00 0.00 H new ATOM 0 HA ASP A 87 25.047 -15.049 9.108 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.311 -12.868 9.626 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.361 -12.112 8.362 1.00 0.00 H new ATOM 1311 N ALA A 88 24.443 -13.827 6.108 1.00 0.00 N ATOM 1312 CA ALA A 88 23.498 -13.759 4.980 1.00 0.00 C ATOM 1313 C ALA A 88 22.931 -15.132 4.598 1.00 0.00 C ATOM 1314 O ALA A 88 21.824 -15.219 4.080 1.00 0.00 O ATOM 1315 CB ALA A 88 24.178 -13.125 3.776 1.00 0.00 C ATOM 0 H ALA A 88 25.387 -13.529 5.863 1.00 0.00 H new ATOM 0 HA ALA A 88 22.657 -13.145 5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.475 -13.077 2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.506 -12.118 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 88 25.041 -13.725 3.487 1.00 0.00 H new ATOM 1321 N ILE A 89 23.710 -16.187 4.848 1.00 0.00 N ATOM 1322 CA ILE A 89 23.323 -17.568 4.531 1.00 0.00 C ATOM 1323 C ILE A 89 22.535 -18.190 5.713 1.00 0.00 C ATOM 1324 O ILE A 89 21.444 -18.739 5.519 1.00 0.00 O ATOM 1325 CB ILE A 89 24.612 -18.423 4.197 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.427 -17.745 3.036 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.254 -19.887 3.831 1.00 0.00 C ATOM 1328 CD1 ILE A 89 26.821 -18.311 2.805 1.00 0.00 C ATOM 0 H ILE A 89 24.632 -16.109 5.278 1.00 0.00 H new ATOM 0 HA ILE A 89 22.673 -17.567 3.656 1.00 0.00 H new ATOM 0 HB ILE A 89 25.231 -18.455 5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 89 24.857 -17.838 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.516 -16.680 3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.167 -20.440 3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 89 23.740 -20.357 4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.603 -19.895 2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.299 -17.776 1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.416 -18.193 3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.747 -19.369 2.554 1.00 0.00 H new ATOM 1340 N LYS A 90 23.081 -18.059 6.941 1.00 0.00 N ATOM 1341 CA LYS A 90 22.524 -18.716 8.159 1.00 0.00 C ATOM 1342 C LYS A 90 21.308 -17.967 8.744 1.00 0.00 C ATOM 1343 O LYS A 90 20.418 -18.585 9.331 1.00 0.00 O ATOM 1344 CB LYS A 90 23.611 -18.864 9.266 1.00 0.00 C ATOM 1345 CG LYS A 90 24.284 -17.544 9.723 1.00 0.00 C ATOM 1346 CD LYS A 90 25.158 -17.681 11.000 1.00 0.00 C ATOM 1347 CE LYS A 90 26.505 -18.399 10.786 1.00 0.00 C ATOM 1348 NZ LYS A 90 26.375 -19.811 10.322 1.00 0.00 N ATOM 0 H LYS A 90 23.915 -17.500 7.123 1.00 0.00 H new ATOM 0 HA LYS A 90 22.188 -19.701 7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 90 23.157 -19.339 10.135 1.00 0.00 H new ATOM 0 HB3 LYS A 90 24.386 -19.539 8.902 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.905 -17.166 8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.509 -16.799 9.905 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.352 -16.685 11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.590 -18.222 11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 90 27.090 -17.840 10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 90 27.065 -18.385 11.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 27.165 -20.374 10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 25.476 -20.207 10.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 26.393 -19.838 9.283 1.00 0.00 H new ATOM 1362 N ASN A 91 21.283 -16.644 8.575 1.00 0.00 N ATOM 1363 CA ASN A 91 20.309 -15.761 9.251 1.00 0.00 C ATOM 1364 C ASN A 91 19.512 -14.940 8.226 1.00 0.00 C ATOM 1365 O ASN A 91 18.875 -13.975 8.607 1.00 0.00 O ATOM 1366 CB ASN A 91 21.074 -14.806 10.221 1.00 0.00 C ATOM 1367 CG ASN A 91 20.166 -14.030 11.193 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.236 -14.581 11.772 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.387 -12.733 11.317 1.00 0.00 N ATOM 0 H ASN A 91 21.934 -16.147 7.967 1.00 0.00 H new ATOM 0 HA ASN A 91 19.605 -16.374 9.813 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.789 -15.391 10.799 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.649 -14.092 9.631 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.777 -12.166 11.905 1.00 0.00 H new ATOM 0 HD22 ASN A 91 21.168 -12.299 10.824 1.00 0.00 H new ATOM 1376 N ALA A 92 19.530 -15.354 6.941 1.00 0.00 N ATOM 1377 CA ALA A 92 18.935 -14.593 5.804 1.00 0.00 C ATOM 1378 C ALA A 92 17.582 -13.932 6.144 1.00 0.00 C ATOM 1379 O ALA A 92 17.438 -12.700 6.093 1.00 0.00 O ATOM 1380 CB ALA A 92 18.761 -15.520 4.604 1.00 0.00 C ATOM 0 H ALA A 92 19.960 -16.233 6.653 1.00 0.00 H new ATOM 0 HA ALA A 92 19.629 -13.785 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.326 -14.963 3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.732 -15.916 4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 92 18.100 -16.344 4.874 1.00 0.00 H new ATOM 1386 N ALA A 93 16.621 -14.781 6.535 1.00 0.00 N ATOM 1387 CA ALA A 93 15.270 -14.354 6.903 1.00 0.00 C ATOM 1388 C ALA A 93 15.293 -13.453 8.139 1.00 0.00 C ATOM 1389 O ALA A 93 14.589 -12.444 8.169 1.00 0.00 O ATOM 1390 CB ALA A 93 14.366 -15.578 7.109 1.00 0.00 C ATOM 0 H ALA A 93 16.763 -15.789 6.604 1.00 0.00 H new ATOM 0 HA ALA A 93 14.857 -13.763 6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.364 -15.248 7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.319 -16.155 6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.773 -16.201 7.906 1.00 0.00 H new ATOM 1396 N GLY A 94 16.164 -13.805 9.114 1.00 0.00 N ATOM 1397 CA GLY A 94 16.289 -13.074 10.374 1.00 0.00 C ATOM 1398 C GLY A 94 16.701 -11.627 10.156 1.00 0.00 C ATOM 1399 O GLY A 94 16.087 -10.720 10.705 1.00 0.00 O ATOM 0 H GLY A 94 16.794 -14.604 9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.338 -13.104 10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.025 -13.569 11.008 1.00 0.00 H new ATOM 1403 N ILE A 95 17.724 -11.442 9.303 1.00 0.00 N ATOM 1404 CA ILE A 95 18.258 -10.129 8.899 1.00 0.00 C ATOM 1405 C ILE A 95 17.129 -9.239 8.366 1.00 0.00 C ATOM 1406 O ILE A 95 16.816 -8.215 8.972 1.00 0.00 O ATOM 1407 CB ILE A 95 19.353 -10.314 7.780 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.530 -11.204 8.280 1.00 0.00 C ATOM 1409 CG2 ILE A 95 19.896 -8.956 7.255 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.278 -11.888 7.173 1.00 0.00 C ATOM 0 H ILE A 95 18.215 -12.221 8.864 1.00 0.00 H new ATOM 0 HA ILE A 95 18.708 -9.653 9.771 1.00 0.00 H new ATOM 0 HB ILE A 95 18.861 -10.818 6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.225 -10.587 8.849 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.140 -11.958 8.963 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.647 -9.137 6.486 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.076 -8.376 6.832 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.346 -8.401 8.078 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.083 -12.490 7.595 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.597 -12.532 6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.699 -11.140 6.501 1.00 0.00 H new ATOM 1422 N ILE A 96 16.494 -9.692 7.258 1.00 0.00 N ATOM 1423 CA ILE A 96 15.457 -8.921 6.540 1.00 0.00 C ATOM 1424 C ILE A 96 14.311 -8.503 7.491 1.00 0.00 C ATOM 1425 O ILE A 96 14.013 -7.314 7.597 1.00 0.00 O ATOM 1426 CB ILE A 96 14.904 -9.722 5.280 1.00 0.00 C ATOM 1427 CG1 ILE A 96 15.843 -9.539 4.036 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.450 -9.339 4.898 1.00 0.00 C ATOM 1429 CD1 ILE A 96 17.203 -10.196 4.126 1.00 0.00 C ATOM 0 H ILE A 96 16.688 -10.602 6.839 1.00 0.00 H new ATOM 0 HA ILE A 96 15.924 -8.010 6.167 1.00 0.00 H new ATOM 0 HB ILE A 96 14.894 -10.770 5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 96 15.330 -9.932 3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 96 15.988 -8.472 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.136 -9.922 4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.786 -9.549 5.737 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.405 -8.277 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.762 -10.002 3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.748 -9.789 4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 96 17.080 -11.271 4.255 1.00 0.00 H new ATOM 1441 N LYS A 97 13.712 -9.486 8.207 1.00 0.00 N ATOM 1442 CA LYS A 97 12.532 -9.235 9.073 1.00 0.00 C ATOM 1443 C LYS A 97 12.874 -8.328 10.272 1.00 0.00 C ATOM 1444 O LYS A 97 12.005 -7.602 10.765 1.00 0.00 O ATOM 1445 CB LYS A 97 11.857 -10.571 9.532 1.00 0.00 C ATOM 1446 CG LYS A 97 12.718 -11.531 10.408 1.00 0.00 C ATOM 1447 CD LYS A 97 12.714 -11.224 11.928 1.00 0.00 C ATOM 1448 CE LYS A 97 11.346 -11.427 12.598 1.00 0.00 C ATOM 1449 NZ LYS A 97 11.411 -11.133 14.056 1.00 0.00 N ATOM 0 H LYS A 97 14.025 -10.457 8.203 1.00 0.00 H new ATOM 0 HA LYS A 97 11.804 -8.695 8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.954 -10.321 10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.542 -11.115 8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.361 -12.550 10.259 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.747 -11.498 10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.448 -11.863 12.420 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.034 -10.194 12.082 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.607 -10.779 12.126 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.013 -12.454 12.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.927 -11.887 14.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.406 -11.083 14.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.946 -10.223 14.248 1.00 0.00 H new ATOM 1463 N GLU A 98 14.142 -8.380 10.733 1.00 0.00 N ATOM 1464 CA GLU A 98 14.624 -7.520 11.831 1.00 0.00 C ATOM 1465 C GLU A 98 14.764 -6.071 11.353 1.00 0.00 C ATOM 1466 O GLU A 98 14.442 -5.147 12.098 1.00 0.00 O ATOM 1467 CB GLU A 98 15.960 -8.047 12.435 1.00 0.00 C ATOM 1468 CG GLU A 98 15.812 -9.258 13.383 1.00 0.00 C ATOM 1469 CD GLU A 98 14.896 -8.989 14.593 1.00 0.00 C ATOM 1470 OE1 GLU A 98 15.285 -8.192 15.471 1.00 0.00 O ATOM 1471 OE2 GLU A 98 13.811 -9.608 14.690 1.00 0.00 O ATOM 0 H GLU A 98 14.851 -9.011 10.359 1.00 0.00 H new ATOM 0 HA GLU A 98 13.882 -7.549 12.629 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.627 -8.323 11.618 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.441 -7.235 12.979 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.416 -10.103 12.820 1.00 0.00 H new ATOM 0 HG3 GLU A 98 16.799 -9.549 13.743 1.00 0.00 H new ATOM 1478 N ILE A 99 15.196 -5.876 10.091 1.00 0.00 N ATOM 1479 CA ILE A 99 15.356 -4.526 9.520 1.00 0.00 C ATOM 1480 C ILE A 99 13.962 -3.932 9.269 1.00 0.00 C ATOM 1481 O ILE A 99 13.732 -2.738 9.461 1.00 0.00 O ATOM 1482 CB ILE A 99 16.172 -4.540 8.182 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.557 -5.242 8.361 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.363 -3.103 7.652 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.255 -5.580 7.053 1.00 0.00 C ATOM 0 H ILE A 99 15.439 -6.633 9.452 1.00 0.00 H new ATOM 0 HA ILE A 99 15.916 -3.919 10.231 1.00 0.00 H new ATOM 0 HB ILE A 99 15.601 -5.113 7.452 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.207 -4.595 8.951 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.416 -6.159 8.933 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.932 -3.131 6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.389 -2.651 7.468 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.904 -2.512 8.391 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.208 -6.064 7.264 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.627 -6.253 6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.430 -4.665 6.487 1.00 0.00 H new ATOM 1497 N GLU A 100 13.045 -4.824 8.876 1.00 0.00 N ATOM 1498 CA GLU A 100 11.637 -4.514 8.632 1.00 0.00 C ATOM 1499 C GLU A 100 10.974 -3.948 9.883 1.00 0.00 C ATOM 1500 O GLU A 100 10.334 -2.911 9.810 1.00 0.00 O ATOM 1501 CB GLU A 100 10.902 -5.797 8.147 1.00 0.00 C ATOM 1502 CG GLU A 100 11.217 -6.187 6.692 1.00 0.00 C ATOM 1503 CD GLU A 100 10.362 -5.417 5.667 1.00 0.00 C ATOM 1504 OE1 GLU A 100 10.572 -4.195 5.493 1.00 0.00 O ATOM 1505 OE2 GLU A 100 9.452 -6.014 5.048 1.00 0.00 O ATOM 0 H GLU A 100 13.271 -5.806 8.716 1.00 0.00 H new ATOM 0 HA GLU A 100 11.573 -3.751 7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.171 -6.626 8.801 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.827 -5.647 8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.272 -6.000 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.053 -7.257 6.564 1.00 0.00 H new ATOM 1512 N GLU A 101 11.150 -4.627 11.030 1.00 0.00 N ATOM 1513 CA GLU A 101 10.488 -4.233 12.289 1.00 0.00 C ATOM 1514 C GLU A 101 11.211 -3.056 12.978 1.00 0.00 C ATOM 1515 O GLU A 101 10.577 -2.305 13.714 1.00 0.00 O ATOM 1516 CB GLU A 101 10.328 -5.445 13.238 1.00 0.00 C ATOM 1517 CG GLU A 101 11.631 -6.104 13.710 1.00 0.00 C ATOM 1518 CD GLU A 101 11.383 -7.301 14.642 1.00 0.00 C ATOM 1519 OE1 GLU A 101 10.866 -8.335 14.160 1.00 0.00 O ATOM 1520 OE2 GLU A 101 11.654 -7.200 15.863 1.00 0.00 O ATOM 0 H GLU A 101 11.745 -5.451 11.113 1.00 0.00 H new ATOM 0 HA GLU A 101 9.489 -3.880 12.035 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.768 -5.123 14.116 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.724 -6.199 12.734 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.201 -6.436 12.842 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.241 -5.364 14.229 1.00 0.00 H new ATOM 1527 N MET A 102 12.529 -2.895 12.726 1.00 0.00 N ATOM 1528 CA MET A 102 13.305 -1.738 13.238 1.00 0.00 C ATOM 1529 C MET A 102 12.861 -0.438 12.533 1.00 0.00 C ATOM 1530 O MET A 102 12.483 0.548 13.193 1.00 0.00 O ATOM 1531 CB MET A 102 14.843 -1.961 13.074 1.00 0.00 C ATOM 1532 CG MET A 102 15.464 -2.952 14.080 1.00 0.00 C ATOM 1533 SD MET A 102 17.273 -3.036 13.984 1.00 0.00 S ATOM 1534 CE MET A 102 17.564 -3.530 12.284 1.00 0.00 C ATOM 0 H MET A 102 13.080 -3.550 12.171 1.00 0.00 H new ATOM 0 HA MET A 102 13.101 -1.644 14.304 1.00 0.00 H new ATOM 0 HB2 MET A 102 15.038 -2.321 12.064 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.348 -1.000 13.173 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.174 -2.663 15.090 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.052 -3.945 13.902 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.625 -3.734 12.141 1.00 0.00 H new ATOM 0 HE2 MET A 102 16.988 -4.429 12.063 1.00 0.00 H new ATOM 0 HE3 MET A 102 17.256 -2.727 11.614 1.00 0.00 H new ATOM 1544 N ILE A 103 12.889 -0.463 11.184 1.00 0.00 N ATOM 1545 CA ILE A 103 12.445 0.666 10.344 1.00 0.00 C ATOM 1546 C ILE A 103 10.950 0.963 10.593 1.00 0.00 C ATOM 1547 O ILE A 103 10.596 2.099 10.867 1.00 0.00 O ATOM 1548 CB ILE A 103 12.728 0.401 8.807 1.00 0.00 C ATOM 1549 CG1 ILE A 103 14.275 0.342 8.540 1.00 0.00 C ATOM 1550 CG2 ILE A 103 12.037 1.447 7.887 1.00 0.00 C ATOM 1551 CD1 ILE A 103 14.694 0.253 7.079 1.00 0.00 C ATOM 0 H ILE A 103 13.220 -1.266 10.648 1.00 0.00 H new ATOM 0 HA ILE A 103 13.025 1.544 10.628 1.00 0.00 H new ATOM 0 HB ILE A 103 12.292 -0.566 8.556 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.734 1.229 8.976 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.683 -0.520 9.068 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.262 1.220 6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 103 10.959 1.411 8.041 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.405 2.444 8.129 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.781 0.218 7.014 1.00 0.00 H new ATOM 0 HD12 ILE A 103 14.275 -0.650 6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.326 1.127 6.541 1.00 0.00 H new ATOM 1563 N ALA A 104 10.097 -0.080 10.554 1.00 0.00 N ATOM 1564 CA ALA A 104 8.634 0.063 10.775 1.00 0.00 C ATOM 1565 C ALA A 104 8.330 0.730 12.124 1.00 0.00 C ATOM 1566 O ALA A 104 7.476 1.604 12.189 1.00 0.00 O ATOM 1567 CB ALA A 104 7.921 -1.295 10.681 1.00 0.00 C ATOM 0 H ALA A 104 10.393 -1.039 10.371 1.00 0.00 H new ATOM 0 HA ALA A 104 8.253 0.708 9.984 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.853 -1.157 10.847 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.082 -1.723 9.692 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.322 -1.970 11.438 1.00 0.00 H new ATOM 1573 N SER A 105 9.104 0.354 13.162 1.00 0.00 N ATOM 1574 CA SER A 105 8.910 0.850 14.541 1.00 0.00 C ATOM 1575 C SER A 105 9.112 2.376 14.603 1.00 0.00 C ATOM 1576 O SER A 105 8.294 3.091 15.191 1.00 0.00 O ATOM 1577 CB SER A 105 9.874 0.133 15.517 1.00 0.00 C ATOM 1578 OG SER A 105 9.641 0.505 16.865 1.00 0.00 O ATOM 0 H SER A 105 9.880 -0.301 13.069 1.00 0.00 H new ATOM 0 HA SER A 105 7.887 0.628 14.844 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.758 -0.946 15.414 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.904 0.370 15.249 1.00 0.00 H new ATOM 0 HG SER A 105 10.269 0.030 17.449 1.00 0.00 H new ATOM 1584 N GLU A 106 10.194 2.866 13.962 1.00 0.00 N ATOM 1585 CA GLU A 106 10.502 4.316 13.923 1.00 0.00 C ATOM 1586 C GLU A 106 9.641 5.072 12.881 1.00 0.00 C ATOM 1587 O GLU A 106 9.505 6.296 12.967 1.00 0.00 O ATOM 1588 CB GLU A 106 12.015 4.558 13.669 1.00 0.00 C ATOM 1589 CG GLU A 106 12.588 3.884 12.417 1.00 0.00 C ATOM 1590 CD GLU A 106 14.033 4.296 12.123 1.00 0.00 C ATOM 1591 OE1 GLU A 106 14.956 3.750 12.762 1.00 0.00 O ATOM 1592 OE2 GLU A 106 14.254 5.187 11.271 1.00 0.00 O ATOM 0 H GLU A 106 10.868 2.283 13.465 1.00 0.00 H new ATOM 0 HA GLU A 106 10.247 4.720 14.903 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.186 5.632 13.593 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.573 4.207 14.537 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.543 2.802 12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.963 4.133 11.559 1.00 0.00 H new ATOM 1599 N GLN A 107 9.069 4.342 11.902 1.00 0.00 N ATOM 1600 CA GLN A 107 8.189 4.937 10.862 1.00 0.00 C ATOM 1601 C GLN A 107 6.724 5.048 11.343 1.00 0.00 C ATOM 1602 O GLN A 107 5.912 5.718 10.689 1.00 0.00 O ATOM 1603 CB GLN A 107 8.265 4.129 9.531 1.00 0.00 C ATOM 1604 CG GLN A 107 9.648 4.137 8.832 1.00 0.00 C ATOM 1605 CD GLN A 107 10.053 5.465 8.174 1.00 0.00 C ATOM 1606 OE1 GLN A 107 9.633 6.552 8.578 1.00 0.00 O ATOM 1607 NE2 GLN A 107 10.907 5.381 7.160 1.00 0.00 N ATOM 0 H GLN A 107 9.198 3.335 11.805 1.00 0.00 H new ATOM 0 HA GLN A 107 8.555 5.947 10.675 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.985 3.096 9.736 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.524 4.529 8.839 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.408 3.870 9.567 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.654 3.358 8.070 1.00 0.00 H new ATOM 0 HE21 GLN A 107 11.238 4.469 6.846 1.00 0.00 H new ATOM 0 HE22 GLN A 107 11.232 6.229 6.695 1.00 0.00 H new ATOM 1616 N GLN A 108 6.383 4.384 12.469 1.00 0.00 N ATOM 1617 CA GLN A 108 5.043 4.499 13.086 1.00 0.00 C ATOM 1618 C GLN A 108 4.884 5.890 13.766 1.00 0.00 C ATOM 1619 O GLN A 108 5.386 6.078 14.892 1.00 0.00 O ATOM 1620 CB GLN A 108 4.785 3.336 14.100 1.00 0.00 C ATOM 1621 CG GLN A 108 4.688 1.915 13.496 1.00 0.00 C ATOM 1622 CD GLN A 108 3.703 1.799 12.324 1.00 0.00 C ATOM 1623 OE1 GLN A 108 2.682 2.485 12.264 1.00 0.00 O ATOM 1624 NE2 GLN A 108 4.011 0.927 11.376 1.00 0.00 N ATOM 1625 OXT GLN A 108 4.279 6.797 13.152 1.00 0.00 O ATOM 0 H GLN A 108 7.018 3.762 12.970 1.00 0.00 H new ATOM 0 HA GLN A 108 4.292 4.414 12.300 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.587 3.341 14.839 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.858 3.546 14.634 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.677 1.607 13.157 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.388 1.218 14.279 1.00 0.00 H new ATOM 0 HE21 GLN A 108 4.863 0.372 11.451 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.396 0.811 10.571 1.00 0.00 H new