USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 598 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 54 TYR OH : rot 180:sc=-0.00923 USER MOD Set 1.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 38 SER OG : rot 131:sc= 2.59 USER MOD Set 2.2: A 40 SER OG : rot 180:sc= 1.06 USER MOD Set 2.3: A 41 THR OG1 : rot 78:sc= 1.09 USER MOD Single : A 4 ASN : amide:sc= -0.0613 K(o=-0.061,f=-0.87) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -1.72 K(o=-1.7,f=-6.5!) USER MOD Single : A 8 TYR OH : rot 151:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 145:sc= -0.264 (180deg=-2.06) USER MOD Single : A 15 LYS NZ :NH3+ -144:sc= 1.25 (180deg=0.798) USER MOD Single : A 17 ASN : amide:sc= -5.42! C(o=-5.4!,f=-5.2!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 19 CYS SG : rot -177:sc= 0.398 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -170:sc= 0.0204 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -1.06 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 28 TYR OH : rot 128:sc= 1.25 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 4:sc= 0.325 USER MOD Single : A 33 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.7!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.412 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -133:sc= 0 (180deg=-0.0106) USER MOD Single : A 45 SER OG : rot 110:sc=-0.00106 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00032) USER MOD Single : A 53 GLN : amide:sc= -1.32 K(o=-1.3,f=-5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00281 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -148:sc= 1.31 USER MOD Single : A 72 ASN : amide:sc= 0.15 K(o=0.15,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 46 N ASN A 4 22.096 24.235 28.216 1.00 0.00 N ATOM 47 CA ASN A 4 22.594 22.912 27.855 1.00 0.00 C ATOM 48 C ASN A 4 23.895 22.604 28.619 1.00 0.00 C ATOM 49 O ASN A 4 24.817 23.420 28.627 1.00 0.00 O ATOM 50 CB ASN A 4 22.851 22.842 26.350 1.00 0.00 C ATOM 51 CG ASN A 4 21.614 23.160 25.533 1.00 0.00 C ATOM 52 OD1 ASN A 4 20.522 23.326 26.078 1.00 0.00 O ATOM 53 ND2 ASN A 4 21.778 23.248 24.218 1.00 0.00 N ATOM 0 HA ASN A 4 21.841 22.171 28.125 1.00 0.00 H new ATOM 0 HB2 ASN A 4 23.645 23.541 26.088 1.00 0.00 H new ATOM 0 HB3 ASN A 4 23.206 21.844 26.092 1.00 0.00 H new ATOM 0 HD21 ASN A 4 20.981 23.461 23.618 1.00 0.00 H new ATOM 0 HD22 ASN A 4 22.701 23.103 23.808 1.00 0.00 H new ATOM 60 N LYS A 5 23.966 21.434 29.257 1.00 0.00 N ATOM 61 CA LYS A 5 25.132 21.022 30.035 1.00 0.00 C ATOM 62 C LYS A 5 26.439 20.714 29.293 1.00 0.00 C ATOM 63 O LYS A 5 27.518 21.085 29.757 1.00 0.00 O ATOM 64 CB LYS A 5 24.758 19.803 30.885 1.00 0.00 C ATOM 65 CG LYS A 5 24.134 18.667 30.090 1.00 0.00 C ATOM 66 CD LYS A 5 23.581 17.585 31.004 1.00 0.00 C ATOM 67 CE LYS A 5 22.846 16.514 30.213 1.00 0.00 C ATOM 68 NZ LYS A 5 22.209 15.501 31.098 1.00 0.00 N1+ ATOM 0 H LYS A 5 23.214 20.745 29.248 1.00 0.00 H new ATOM 0 HA LYS A 5 25.370 21.915 30.612 1.00 0.00 H new ATOM 0 HB2 LYS A 5 25.652 19.434 31.387 1.00 0.00 H new ATOM 0 HB3 LYS A 5 24.061 20.115 31.663 1.00 0.00 H new ATOM 0 HG2 LYS A 5 23.334 19.058 29.462 1.00 0.00 H new ATOM 0 HG3 LYS A 5 24.880 18.235 29.423 1.00 0.00 H new ATOM 0 HD2 LYS A 5 24.396 17.129 31.566 1.00 0.00 H new ATOM 0 HD3 LYS A 5 22.903 18.032 31.731 1.00 0.00 H new ATOM 0 HE2 LYS A 5 22.083 16.983 29.592 1.00 0.00 H new ATOM 0 HE3 LYS A 5 23.545 16.018 29.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 21.720 14.791 30.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 22.939 15.034 31.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 21.522 15.969 31.723 1.00 0.00 H new ATOM 82 N ASN A 6 26.347 20.040 28.150 1.00 0.00 N ATOM 83 CA ASN A 6 27.545 19.606 27.437 1.00 0.00 C ATOM 84 C ASN A 6 28.414 20.723 26.871 1.00 0.00 C ATOM 85 O ASN A 6 29.628 20.718 27.075 1.00 0.00 O ATOM 86 CB ASN A 6 27.154 18.654 26.303 1.00 0.00 C ATOM 87 CG ASN A 6 28.356 18.124 25.547 1.00 0.00 C ATOM 88 OD1 ASN A 6 29.499 18.454 25.865 1.00 0.00 O ATOM 89 ND2 ASN A 6 28.104 17.297 24.539 1.00 0.00 N ATOM 0 H ASN A 6 25.467 19.785 27.702 1.00 0.00 H new ATOM 0 HA ASN A 6 28.157 19.112 28.192 1.00 0.00 H new ATOM 0 HB2 ASN A 6 26.590 17.817 26.714 1.00 0.00 H new ATOM 0 HB3 ASN A 6 26.493 19.173 25.609 1.00 0.00 H new ATOM 0 HD21 ASN A 6 28.873 16.908 23.994 1.00 0.00 H new ATOM 0 HD22 ASN A 6 27.141 17.050 24.310 1.00 0.00 H new ATOM 96 N GLU A 7 27.820 21.679 26.165 1.00 0.00 N ATOM 97 CA GLU A 7 28.637 22.782 25.653 1.00 0.00 C ATOM 98 C GLU A 7 28.808 23.884 26.703 1.00 0.00 C ATOM 99 O GLU A 7 29.930 24.291 27.006 1.00 0.00 O ATOM 100 CB GLU A 7 28.020 23.385 24.376 1.00 0.00 C ATOM 101 CG GLU A 7 27.896 22.409 23.195 1.00 0.00 C ATOM 102 CD GLU A 7 26.796 21.351 23.366 1.00 0.00 C ATOM 103 OE1 GLU A 7 26.877 20.281 22.721 1.00 0.00 O ATOM 104 OE2 GLU A 7 25.851 21.546 24.166 1.00 0.00 O ATOM 0 H GLU A 7 26.826 21.719 25.940 1.00 0.00 H new ATOM 0 HA GLU A 7 29.617 22.368 25.414 1.00 0.00 H new ATOM 0 HB2 GLU A 7 27.029 23.770 24.616 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.626 24.236 24.064 1.00 0.00 H new ATOM 0 HG2 GLU A 7 27.699 22.978 22.287 1.00 0.00 H new ATOM 0 HG3 GLU A 7 28.852 21.904 23.054 1.00 0.00 H new ATOM 111 N TYR A 8 27.710 24.363 27.300 1.00 0.00 N ATOM 112 CA TYR A 8 27.727 25.409 28.332 1.00 0.00 C ATOM 113 C TYR A 8 28.480 24.970 29.583 1.00 0.00 C ATOM 114 O TYR A 8 28.945 25.833 30.320 1.00 0.00 O ATOM 115 CB TYR A 8 26.304 25.897 28.649 1.00 0.00 C ATOM 116 CG TYR A 8 26.256 27.333 29.149 1.00 0.00 C ATOM 117 CD1 TYR A 8 26.156 28.386 28.218 1.00 0.00 C ATOM 118 CD2 TYR A 8 26.327 27.628 30.525 1.00 0.00 C ATOM 119 CE1 TYR A 8 26.125 29.724 28.659 1.00 0.00 C ATOM 120 CE2 TYR A 8 26.301 28.964 30.969 1.00 0.00 C ATOM 121 CZ TYR A 8 26.202 30.016 30.036 1.00 0.00 C ATOM 122 OH TYR A 8 26.194 31.307 30.462 1.00 0.00 O ATOM 0 H TYR A 8 26.772 24.031 27.077 1.00 0.00 H new ATOM 0 HA TYR A 8 28.279 26.258 27.928 1.00 0.00 H new ATOM 0 HB2 TYR A 8 25.690 25.811 27.752 1.00 0.00 H new ATOM 0 HB3 TYR A 8 25.863 25.243 29.401 1.00 0.00 H new ATOM 0 HD1 TYR A 8 26.103 28.167 27.162 1.00 0.00 H new ATOM 0 HD2 TYR A 8 26.402 26.825 31.243 1.00 0.00 H new ATOM 0 HE1 TYR A 8 26.042 30.527 27.941 1.00 0.00 H new ATOM 0 HE2 TYR A 8 26.357 29.183 32.025 1.00 0.00 H new ATOM 0 HH TYR A 8 25.793 31.354 31.355 1.00 0.00 H new ATOM 132 N LYS A 9 28.725 23.662 29.780 1.00 0.00 N ATOM 133 CA LYS A 9 29.572 23.194 30.883 1.00 0.00 C ATOM 134 C LYS A 9 30.939 23.881 30.868 1.00 0.00 C ATOM 135 O LYS A 9 31.420 24.222 31.938 1.00 0.00 O ATOM 136 CB LYS A 9 29.734 21.663 30.894 1.00 0.00 C ATOM 137 CG LYS A 9 31.072 21.289 31.561 1.00 0.00 C ATOM 138 CD LYS A 9 31.025 20.019 32.428 1.00 0.00 C ATOM 139 CE LYS A 9 30.741 18.734 31.649 1.00 0.00 C ATOM 140 NZ LYS A 9 30.623 17.552 32.537 1.00 0.00 N1+ ATOM 0 H LYS A 9 28.350 22.918 29.192 1.00 0.00 H new ATOM 0 HA LYS A 9 29.058 23.470 31.803 1.00 0.00 H new ATOM 0 HB2 LYS A 9 28.906 21.204 31.434 1.00 0.00 H new ATOM 0 HB3 LYS A 9 29.704 21.277 29.875 1.00 0.00 H new ATOM 0 HG2 LYS A 9 31.825 21.155 30.784 1.00 0.00 H new ATOM 0 HG3 LYS A 9 31.399 22.124 32.181 1.00 0.00 H new ATOM 0 HD2 LYS A 9 31.978 19.912 32.947 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.258 20.143 33.192 1.00 0.00 H new ATOM 0 HE2 LYS A 9 29.818 18.853 31.081 1.00 0.00 H new ATOM 0 HE3 LYS A 9 31.540 18.565 30.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 30.431 16.705 31.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 31.512 17.421 33.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 29.844 17.699 33.210 1.00 0.00 H new ATOM 154 N ILE A 10 31.511 24.183 29.694 1.00 0.00 N ATOM 155 CA ILE A 10 32.753 24.970 29.552 1.00 0.00 C ATOM 156 C ILE A 10 32.647 26.299 30.309 1.00 0.00 C ATOM 157 O ILE A 10 33.494 26.610 31.145 1.00 0.00 O ATOM 158 CB ILE A 10 33.055 25.249 28.055 1.00 0.00 C ATOM 159 CG1 ILE A 10 33.650 24.038 27.319 1.00 0.00 C ATOM 160 CG2 ILE A 10 34.048 26.418 27.878 1.00 0.00 C ATOM 161 CD1 ILE A 10 32.691 22.899 26.961 1.00 0.00 C ATOM 0 H ILE A 10 31.121 23.885 28.800 1.00 0.00 H new ATOM 0 HA ILE A 10 33.568 24.385 29.978 1.00 0.00 H new ATOM 0 HB ILE A 10 32.084 25.494 27.624 1.00 0.00 H new ATOM 0 HG12 ILE A 10 34.110 24.395 26.398 1.00 0.00 H new ATOM 0 HG13 ILE A 10 34.449 23.626 27.936 1.00 0.00 H new ATOM 0 HG21 ILE A 10 34.233 26.581 26.816 1.00 0.00 H new ATOM 0 HG22 ILE A 10 33.627 27.323 28.316 1.00 0.00 H new ATOM 0 HG23 ILE A 10 34.987 26.177 28.377 1.00 0.00 H new ATOM 0 HD11 ILE A 10 33.239 22.110 26.446 1.00 0.00 H new ATOM 0 HD12 ILE A 10 32.247 22.497 27.872 1.00 0.00 H new ATOM 0 HD13 ILE A 10 31.903 23.278 26.310 1.00 0.00 H new ATOM 173 N LEU A 11 31.598 27.070 30.009 1.00 0.00 N ATOM 174 CA LEU A 11 31.342 28.379 30.608 1.00 0.00 C ATOM 175 C LEU A 11 31.046 28.257 32.121 1.00 0.00 C ATOM 176 O LEU A 11 31.351 29.166 32.887 1.00 0.00 O ATOM 177 CB LEU A 11 30.228 29.097 29.805 1.00 0.00 C ATOM 178 CG LEU A 11 30.616 29.500 28.359 1.00 0.00 C ATOM 179 CD1 LEU A 11 29.399 29.963 27.573 1.00 0.00 C ATOM 180 CD2 LEU A 11 31.653 30.626 28.333 1.00 0.00 C ATOM 0 H LEU A 11 30.890 26.794 29.329 1.00 0.00 H new ATOM 0 HA LEU A 11 32.236 29.000 30.547 1.00 0.00 H new ATOM 0 HB2 LEU A 11 29.355 28.446 29.762 1.00 0.00 H new ATOM 0 HB3 LEU A 11 29.930 29.994 30.348 1.00 0.00 H new ATOM 0 HG LEU A 11 31.043 28.607 27.902 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.702 30.239 26.563 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.668 29.156 27.525 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.954 30.827 28.067 1.00 0.00 H new ATOM 0 HD21 LEU A 11 31.894 30.875 27.300 1.00 0.00 H new ATOM 0 HD22 LEU A 11 31.248 31.506 28.833 1.00 0.00 H new ATOM 0 HD23 LEU A 11 32.557 30.300 28.848 1.00 0.00 H new ATOM 192 N ILE A 12 30.565 27.097 32.578 1.00 0.00 N ATOM 193 CA ILE A 12 30.420 26.769 34.010 1.00 0.00 C ATOM 194 C ILE A 12 31.770 26.449 34.682 1.00 0.00 C ATOM 195 O ILE A 12 31.975 26.785 35.847 1.00 0.00 O ATOM 196 CB ILE A 12 29.393 25.634 34.216 1.00 0.00 C ATOM 197 CG1 ILE A 12 28.015 25.969 33.600 1.00 0.00 C ATOM 198 CG2 ILE A 12 29.247 25.271 35.705 1.00 0.00 C ATOM 199 CD1 ILE A 12 27.290 27.185 34.192 1.00 0.00 C ATOM 0 H ILE A 12 30.260 26.345 31.960 1.00 0.00 H new ATOM 0 HA ILE A 12 30.037 27.661 34.506 1.00 0.00 H new ATOM 0 HB ILE A 12 29.783 24.764 33.687 1.00 0.00 H new ATOM 0 HG12 ILE A 12 28.148 26.136 32.531 1.00 0.00 H new ATOM 0 HG13 ILE A 12 27.369 25.098 33.709 1.00 0.00 H new ATOM 0 HG21 ILE A 12 28.517 24.469 35.814 1.00 0.00 H new ATOM 0 HG22 ILE A 12 30.210 24.941 36.095 1.00 0.00 H new ATOM 0 HG23 ILE A 12 28.911 26.146 36.262 1.00 0.00 H new ATOM 0 HD11 ILE A 12 26.336 27.323 33.683 1.00 0.00 H new ATOM 0 HD12 ILE A 12 27.114 27.021 35.255 1.00 0.00 H new ATOM 0 HD13 ILE A 12 27.905 28.075 34.059 1.00 0.00 H new ATOM 211 N MET A 13 32.731 25.839 33.979 1.00 0.00 N ATOM 212 CA MET A 13 34.044 25.527 34.562 1.00 0.00 C ATOM 213 C MET A 13 34.799 26.797 34.971 1.00 0.00 C ATOM 214 O MET A 13 35.295 26.887 36.089 1.00 0.00 O ATOM 215 CB MET A 13 34.897 24.682 33.606 1.00 0.00 C ATOM 216 CG MET A 13 34.296 23.341 33.168 1.00 0.00 C ATOM 217 SD MET A 13 33.757 22.124 34.412 1.00 0.00 S ATOM 218 CE MET A 13 32.157 22.761 34.989 1.00 0.00 C ATOM 0 H MET A 13 32.626 25.551 33.006 1.00 0.00 H new ATOM 0 HA MET A 13 33.858 24.941 35.462 1.00 0.00 H new ATOM 0 HB2 MET A 13 35.100 25.274 32.714 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.857 24.487 34.084 1.00 0.00 H new ATOM 0 HG2 MET A 13 33.433 23.564 32.540 1.00 0.00 H new ATOM 0 HG3 MET A 13 35.033 22.849 32.534 1.00 0.00 H new ATOM 0 HE1 MET A 13 31.491 21.927 35.209 1.00 0.00 H new ATOM 0 HE2 MET A 13 32.306 23.355 35.891 1.00 0.00 H new ATOM 0 HE3 MET A 13 31.713 23.385 34.213 1.00 0.00 H new ATOM 228 N LEU A 14 34.841 27.810 34.102 1.00 0.00 N ATOM 229 CA LEU A 14 35.396 29.135 34.429 1.00 0.00 C ATOM 230 C LEU A 14 34.528 29.966 35.385 1.00 0.00 C ATOM 231 O LEU A 14 35.082 30.805 36.088 1.00 0.00 O ATOM 232 CB LEU A 14 35.740 29.959 33.179 1.00 0.00 C ATOM 233 CG LEU A 14 34.572 30.319 32.234 1.00 0.00 C ATOM 234 CD1 LEU A 14 33.783 31.513 32.773 1.00 0.00 C ATOM 235 CD2 LEU A 14 35.080 30.608 30.838 1.00 0.00 C ATOM 0 H LEU A 14 34.491 27.739 33.147 1.00 0.00 H new ATOM 0 HA LEU A 14 36.320 28.906 34.960 1.00 0.00 H new ATOM 0 HB2 LEU A 14 36.211 30.887 33.504 1.00 0.00 H new ATOM 0 HB3 LEU A 14 36.484 29.408 32.604 1.00 0.00 H new ATOM 0 HG LEU A 14 33.903 29.460 32.186 1.00 0.00 H new ATOM 0 HD11 LEU A 14 32.966 31.747 32.090 1.00 0.00 H new ATOM 0 HD12 LEU A 14 33.377 31.268 33.754 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.443 32.376 32.859 1.00 0.00 H new ATOM 0 HD21 LEU A 14 34.240 30.859 30.190 1.00 0.00 H new ATOM 0 HD22 LEU A 14 35.776 31.446 30.870 1.00 0.00 H new ATOM 0 HD23 LEU A 14 35.590 29.728 30.447 1.00 0.00 H new ATOM 247 N LYS A 15 33.212 29.729 35.456 1.00 0.00 N ATOM 248 CA LYS A 15 32.329 30.320 36.483 1.00 0.00 C ATOM 249 C LYS A 15 32.876 30.060 37.886 1.00 0.00 C ATOM 250 O LYS A 15 33.025 30.993 38.667 1.00 0.00 O ATOM 251 CB LYS A 15 30.891 29.780 36.322 1.00 0.00 C ATOM 252 CG LYS A 15 29.802 30.529 37.108 1.00 0.00 C ATOM 253 CD LYS A 15 29.740 30.126 38.580 1.00 0.00 C ATOM 254 CE LYS A 15 28.429 30.559 39.244 1.00 0.00 C ATOM 255 NZ LYS A 15 28.403 30.135 40.660 1.00 0.00 N1+ ATOM 0 H LYS A 15 32.722 29.119 34.801 1.00 0.00 H new ATOM 0 HA LYS A 15 32.300 31.401 36.343 1.00 0.00 H new ATOM 0 HB2 LYS A 15 30.630 29.805 35.264 1.00 0.00 H new ATOM 0 HB3 LYS A 15 30.880 28.734 36.629 1.00 0.00 H new ATOM 0 HG2 LYS A 15 29.985 31.601 37.039 1.00 0.00 H new ATOM 0 HG3 LYS A 15 28.833 30.340 36.645 1.00 0.00 H new ATOM 0 HD2 LYS A 15 29.848 29.045 38.664 1.00 0.00 H new ATOM 0 HD3 LYS A 15 30.580 30.572 39.113 1.00 0.00 H new ATOM 0 HE2 LYS A 15 28.322 31.642 39.180 1.00 0.00 H new ATOM 0 HE3 LYS A 15 27.583 30.123 38.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 27.435 29.860 40.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 29.041 29.324 40.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 28.715 30.922 41.264 1.00 0.00 H new ATOM 269 N GLU A 16 33.190 28.801 38.193 1.00 0.00 N ATOM 270 CA GLU A 16 33.733 28.413 39.500 1.00 0.00 C ATOM 271 C GLU A 16 35.266 28.567 39.577 1.00 0.00 C ATOM 272 O GLU A 16 35.779 29.126 40.544 1.00 0.00 O ATOM 273 CB GLU A 16 33.277 26.980 39.843 1.00 0.00 C ATOM 274 CG GLU A 16 31.750 26.791 39.969 1.00 0.00 C ATOM 275 CD GLU A 16 31.059 27.659 41.037 1.00 0.00 C ATOM 276 OE1 GLU A 16 29.806 27.757 41.014 1.00 0.00 O ATOM 277 OE2 GLU A 16 31.729 28.261 41.905 1.00 0.00 O ATOM 0 H GLU A 16 33.076 28.021 37.546 1.00 0.00 H new ATOM 0 HA GLU A 16 33.335 29.097 40.249 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.649 26.303 39.074 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.743 26.682 40.782 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.294 27.005 39.002 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.549 25.743 40.192 1.00 0.00 H new ATOM 284 N ASN A 17 35.935 28.182 38.494 1.00 0.00 N ATOM 285 CA ASN A 17 37.389 28.271 38.349 1.00 0.00 C ATOM 286 C ASN A 17 37.931 29.709 38.362 1.00 0.00 C ATOM 287 O ASN A 17 39.097 29.910 38.713 1.00 0.00 O ATOM 288 CB ASN A 17 37.828 27.573 37.059 1.00 0.00 C ATOM 289 CG ASN A 17 37.754 26.062 37.160 1.00 0.00 C ATOM 290 OD1 ASN A 17 37.030 25.519 37.995 1.00 0.00 O ATOM 291 ND2 ASN A 17 38.503 25.375 36.306 1.00 0.00 N ATOM 0 H ASN A 17 35.473 27.790 37.673 1.00 0.00 H new ATOM 0 HA ASN A 17 37.810 27.773 39.223 1.00 0.00 H new ATOM 0 HB2 ASN A 17 37.198 27.910 36.236 1.00 0.00 H new ATOM 0 HB3 ASN A 17 38.850 27.868 36.820 1.00 0.00 H new ATOM 0 HD21 ASN A 17 38.493 24.355 36.325 1.00 0.00 H new ATOM 0 HD22 ASN A 17 39.088 25.867 35.631 1.00 0.00 H new ATOM 298 N GLN A 18 37.092 30.658 37.877 1.00 0.00 N ATOM 299 CA GLN A 18 37.329 32.126 37.753 1.00 0.00 C ATOM 300 C GLN A 18 38.220 32.518 36.563 1.00 0.00 C ATOM 301 O GLN A 18 38.700 33.647 36.469 1.00 0.00 O ATOM 302 CB GLN A 18 37.783 32.817 39.059 1.00 0.00 C ATOM 303 CG GLN A 18 39.292 32.893 39.237 1.00 0.00 C ATOM 304 CD GLN A 18 39.694 33.578 40.529 1.00 0.00 C ATOM 305 OE1 GLN A 18 38.901 33.678 41.465 1.00 0.00 O ATOM 306 NE2 GLN A 18 40.933 34.052 40.585 1.00 0.00 N ATOM 0 H GLN A 18 36.165 30.404 37.537 1.00 0.00 H new ATOM 0 HA GLN A 18 36.335 32.518 37.539 1.00 0.00 H new ATOM 0 HB2 GLN A 18 37.375 33.828 39.082 1.00 0.00 H new ATOM 0 HB3 GLN A 18 37.356 32.281 39.907 1.00 0.00 H new ATOM 0 HG2 GLN A 18 39.707 31.885 39.220 1.00 0.00 H new ATOM 0 HG3 GLN A 18 39.727 33.431 38.395 1.00 0.00 H new ATOM 0 HE21 GLN A 18 41.556 33.946 39.784 1.00 0.00 H new ATOM 0 HE22 GLN A 18 41.262 34.522 41.429 1.00 0.00 H new ATOM 315 N CYS A 19 38.426 31.547 35.671 1.00 0.00 N ATOM 316 CA CYS A 19 39.189 31.761 34.437 1.00 0.00 C ATOM 317 C CYS A 19 38.418 32.546 33.363 1.00 0.00 C ATOM 318 O CYS A 19 38.144 32.024 32.284 1.00 0.00 O ATOM 319 CB CYS A 19 39.723 30.417 33.940 1.00 0.00 C ATOM 320 SG CYS A 19 40.935 29.784 35.130 1.00 0.00 S ATOM 0 H CYS A 19 38.072 30.597 35.781 1.00 0.00 H new ATOM 0 HA CYS A 19 40.036 32.408 34.666 1.00 0.00 H new ATOM 0 HB2 CYS A 19 38.904 29.707 33.823 1.00 0.00 H new ATOM 0 HB3 CYS A 19 40.185 30.535 32.960 1.00 0.00 H new ATOM 0 HG CYS A 19 41.442 28.673 34.684 1.00 0.00 H new ATOM 326 N THR A 20 38.041 33.795 33.656 1.00 0.00 N ATOM 327 CA THR A 20 37.240 34.621 32.735 1.00 0.00 C ATOM 328 C THR A 20 37.448 36.125 32.915 1.00 0.00 C ATOM 329 O THR A 20 36.866 36.752 33.794 1.00 0.00 O ATOM 330 CB THR A 20 35.764 34.204 32.808 1.00 0.00 C ATOM 331 OG1 THR A 20 34.967 35.043 32.017 1.00 0.00 O ATOM 332 CG2 THR A 20 35.130 34.120 34.201 1.00 0.00 C ATOM 0 H THR A 20 38.278 34.263 34.531 1.00 0.00 H new ATOM 0 HA THR A 20 37.600 34.427 31.725 1.00 0.00 H new ATOM 0 HB THR A 20 35.790 33.180 32.435 1.00 0.00 H new ATOM 0 HG1 THR A 20 34.031 34.758 32.078 1.00 0.00 H new ATOM 0 HG21 THR A 20 34.088 33.815 34.109 1.00 0.00 H new ATOM 0 HG22 THR A 20 35.670 33.389 34.803 1.00 0.00 H new ATOM 0 HG23 THR A 20 35.181 35.096 34.684 1.00 0.00 H new ATOM 340 N THR A 21 38.286 36.706 32.053 1.00 0.00 N ATOM 341 CA THR A 21 38.576 38.150 31.945 1.00 0.00 C ATOM 342 C THR A 21 39.047 38.460 30.525 1.00 0.00 C ATOM 343 O THR A 21 39.588 37.575 29.862 1.00 0.00 O ATOM 344 CB THR A 21 39.697 38.598 32.904 1.00 0.00 C ATOM 345 OG1 THR A 21 40.906 37.969 32.541 1.00 0.00 O ATOM 346 CG2 THR A 21 39.483 38.272 34.379 1.00 0.00 C ATOM 0 H THR A 21 38.812 36.158 31.372 1.00 0.00 H new ATOM 0 HA THR A 21 37.658 38.680 32.201 1.00 0.00 H new ATOM 0 HB THR A 21 39.709 39.683 32.804 1.00 0.00 H new ATOM 0 HG1 THR A 21 41.578 38.126 33.237 1.00 0.00 H new ATOM 0 HG21 THR A 21 40.333 38.633 34.958 1.00 0.00 H new ATOM 0 HG22 THR A 21 38.572 38.757 34.730 1.00 0.00 H new ATOM 0 HG23 THR A 21 39.391 37.193 34.504 1.00 0.00 H new ATOM 354 N GLU A 22 38.949 39.710 30.067 1.00 0.00 N ATOM 355 CA GLU A 22 39.409 40.114 28.726 1.00 0.00 C ATOM 356 C GLU A 22 40.941 40.187 28.548 1.00 0.00 C ATOM 357 O GLU A 22 41.423 40.610 27.498 1.00 0.00 O ATOM 358 CB GLU A 22 38.719 41.405 28.253 1.00 0.00 C ATOM 359 CG GLU A 22 37.195 41.427 28.442 1.00 0.00 C ATOM 360 CD GLU A 22 36.788 42.197 29.703 1.00 0.00 C ATOM 361 OE1 GLU A 22 35.986 43.148 29.549 1.00 0.00 O ATOM 362 OE2 GLU A 22 37.290 41.864 30.806 1.00 0.00 O ATOM 0 H GLU A 22 38.549 40.474 30.611 1.00 0.00 H new ATOM 0 HA GLU A 22 39.100 39.296 28.076 1.00 0.00 H new ATOM 0 HB2 GLU A 22 39.150 42.249 28.792 1.00 0.00 H new ATOM 0 HB3 GLU A 22 38.942 41.554 27.196 1.00 0.00 H new ATOM 0 HG2 GLU A 22 36.727 41.885 27.570 1.00 0.00 H new ATOM 0 HG3 GLU A 22 36.822 40.405 28.504 1.00 0.00 H new ATOM 369 N LEU A 23 41.707 39.761 29.559 1.00 0.00 N ATOM 370 CA LEU A 23 43.174 39.772 29.579 1.00 0.00 C ATOM 371 C LEU A 23 43.809 38.395 29.869 1.00 0.00 C ATOM 372 O LEU A 23 44.998 38.219 29.599 1.00 0.00 O ATOM 373 CB LEU A 23 43.666 40.870 30.547 1.00 0.00 C ATOM 374 CG LEU A 23 42.947 40.906 31.914 1.00 0.00 C ATOM 375 CD1 LEU A 23 43.644 40.004 32.931 1.00 0.00 C ATOM 376 CD2 LEU A 23 42.912 42.314 32.515 1.00 0.00 C ATOM 0 H LEU A 23 41.307 39.385 30.418 1.00 0.00 H new ATOM 0 HA LEU A 23 43.514 40.009 28.571 1.00 0.00 H new ATOM 0 HB2 LEU A 23 44.733 40.730 30.718 1.00 0.00 H new ATOM 0 HB3 LEU A 23 43.545 41.840 30.064 1.00 0.00 H new ATOM 0 HG LEU A 23 41.932 40.561 31.718 1.00 0.00 H new ATOM 0 HD11 LEU A 23 43.114 40.051 33.882 1.00 0.00 H new ATOM 0 HD12 LEU A 23 43.644 38.977 32.566 1.00 0.00 H new ATOM 0 HD13 LEU A 23 44.672 40.340 33.071 1.00 0.00 H new ATOM 0 HD21 LEU A 23 42.396 42.287 33.475 1.00 0.00 H new ATOM 0 HD22 LEU A 23 43.931 42.673 32.660 1.00 0.00 H new ATOM 0 HD23 LEU A 23 42.384 42.985 31.838 1.00 0.00 H new ATOM 388 N LYS A 24 43.055 37.405 30.377 1.00 0.00 N ATOM 389 CA LYS A 24 43.559 36.053 30.702 1.00 0.00 C ATOM 390 C LYS A 24 42.833 34.971 29.893 1.00 0.00 C ATOM 391 O LYS A 24 41.860 34.375 30.349 1.00 0.00 O ATOM 392 CB LYS A 24 43.551 35.797 32.225 1.00 0.00 C ATOM 393 CG LYS A 24 44.559 36.694 32.971 1.00 0.00 C ATOM 394 CD LYS A 24 45.596 35.921 33.797 1.00 0.00 C ATOM 395 CE LYS A 24 45.210 35.741 35.270 1.00 0.00 C ATOM 396 NZ LYS A 24 46.233 34.930 35.973 1.00 0.00 N1+ ATOM 0 H LYS A 24 42.062 37.520 30.578 1.00 0.00 H new ATOM 0 HA LYS A 24 44.604 35.998 30.397 1.00 0.00 H new ATOM 0 HB2 LYS A 24 42.549 35.975 32.616 1.00 0.00 H new ATOM 0 HB3 LYS A 24 43.787 34.750 32.417 1.00 0.00 H new ATOM 0 HG2 LYS A 24 45.081 37.317 32.245 1.00 0.00 H new ATOM 0 HG3 LYS A 24 44.011 37.365 33.632 1.00 0.00 H new ATOM 0 HD2 LYS A 24 45.744 34.939 33.348 1.00 0.00 H new ATOM 0 HD3 LYS A 24 46.551 36.444 33.743 1.00 0.00 H new ATOM 0 HE2 LYS A 24 45.115 36.715 35.750 1.00 0.00 H new ATOM 0 HE3 LYS A 24 44.237 35.254 35.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 45.960 34.815 36.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 46.304 33.995 35.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 47.154 35.410 35.919 1.00 0.00 H new ATOM 410 N SER A 25 43.307 34.764 28.665 1.00 0.00 N ATOM 411 CA SER A 25 42.757 33.837 27.666 1.00 0.00 C ATOM 412 C SER A 25 43.053 32.364 28.003 1.00 0.00 C ATOM 413 O SER A 25 44.216 31.992 28.163 1.00 0.00 O ATOM 414 CB SER A 25 43.321 34.193 26.279 1.00 0.00 C ATOM 415 OG SER A 25 43.068 35.543 25.923 1.00 0.00 O ATOM 0 H SER A 25 44.127 35.262 28.318 1.00 0.00 H new ATOM 0 HA SER A 25 41.673 33.947 27.669 1.00 0.00 H new ATOM 0 HB2 SER A 25 44.396 34.013 26.270 1.00 0.00 H new ATOM 0 HB3 SER A 25 42.881 33.534 25.531 1.00 0.00 H new ATOM 0 HG SER A 25 43.445 35.724 25.037 1.00 0.00 H new ATOM 421 N PHE A 26 42.015 31.546 28.161 1.00 0.00 N ATOM 422 CA PHE A 26 42.179 30.129 28.527 1.00 0.00 C ATOM 423 C PHE A 26 42.734 29.198 27.438 1.00 0.00 C ATOM 424 O PHE A 26 42.449 29.375 26.254 1.00 0.00 O ATOM 425 CB PHE A 26 40.842 29.569 29.022 1.00 0.00 C ATOM 426 CG PHE A 26 40.939 28.836 30.329 1.00 0.00 C ATOM 427 CD1 PHE A 26 42.169 28.434 30.824 1.00 0.00 C ATOM 428 CD2 PHE A 26 39.800 28.548 31.063 1.00 0.00 C ATOM 429 CE1 PHE A 26 42.261 27.760 32.027 1.00 0.00 C ATOM 430 CE2 PHE A 26 39.886 27.874 32.267 1.00 0.00 C ATOM 431 CZ PHE A 26 41.118 27.479 32.749 1.00 0.00 C ATOM 0 H PHE A 26 41.044 31.836 28.042 1.00 0.00 H new ATOM 0 HA PHE A 26 42.943 30.140 29.304 1.00 0.00 H new ATOM 0 HB2 PHE A 26 40.132 30.389 29.128 1.00 0.00 H new ATOM 0 HB3 PHE A 26 40.439 28.894 28.267 1.00 0.00 H new ATOM 0 HD1 PHE A 26 43.066 28.650 30.263 1.00 0.00 H new ATOM 0 HD2 PHE A 26 38.833 28.854 30.690 1.00 0.00 H new ATOM 0 HE1 PHE A 26 43.226 27.453 32.402 1.00 0.00 H new ATOM 0 HE2 PHE A 26 38.990 27.657 32.830 1.00 0.00 H new ATOM 0 HZ PHE A 26 41.188 26.951 33.689 1.00 0.00 H new ATOM 441 N THR A 27 43.526 28.207 27.855 1.00 0.00 N ATOM 442 CA THR A 27 44.085 27.218 26.905 1.00 0.00 C ATOM 443 C THR A 27 43.154 26.016 26.696 1.00 0.00 C ATOM 444 O THR A 27 42.506 25.548 27.636 1.00 0.00 O ATOM 445 CB THR A 27 45.493 26.716 27.304 1.00 0.00 C ATOM 446 OG1 THR A 27 45.439 25.708 28.291 1.00 0.00 O ATOM 447 CG2 THR A 27 46.415 27.825 27.811 1.00 0.00 C ATOM 0 H THR A 27 43.797 28.061 28.828 1.00 0.00 H new ATOM 0 HA THR A 27 44.176 27.760 25.964 1.00 0.00 H new ATOM 0 HB THR A 27 45.906 26.314 26.379 1.00 0.00 H new ATOM 0 HG1 THR A 27 46.349 25.418 28.513 1.00 0.00 H new ATOM 0 HG21 THR A 27 47.385 27.401 28.072 1.00 0.00 H new ATOM 0 HG22 THR A 27 46.545 28.575 27.031 1.00 0.00 H new ATOM 0 HG23 THR A 27 45.973 28.291 28.692 1.00 0.00 H new ATOM 455 N TYR A 28 43.127 25.450 25.479 1.00 0.00 N ATOM 456 CA TYR A 28 42.316 24.259 25.179 1.00 0.00 C ATOM 457 C TYR A 28 42.666 23.053 26.062 1.00 0.00 C ATOM 458 O TYR A 28 41.757 22.377 26.537 1.00 0.00 O ATOM 459 CB TYR A 28 42.453 23.853 23.699 1.00 0.00 C ATOM 460 CG TYR A 28 41.714 24.728 22.705 1.00 0.00 C ATOM 461 CD1 TYR A 28 40.328 24.931 22.853 1.00 0.00 C ATOM 462 CD2 TYR A 28 42.390 25.284 21.598 1.00 0.00 C ATOM 463 CE1 TYR A 28 39.628 25.720 21.924 1.00 0.00 C ATOM 464 CE2 TYR A 28 41.684 26.059 20.656 1.00 0.00 C ATOM 465 CZ TYR A 28 40.303 26.296 20.831 1.00 0.00 C ATOM 466 OH TYR A 28 39.613 27.058 19.946 1.00 0.00 O ATOM 0 H TYR A 28 43.660 25.800 24.683 1.00 0.00 H new ATOM 0 HA TYR A 28 41.286 24.544 25.394 1.00 0.00 H new ATOM 0 HB2 TYR A 28 43.511 23.853 23.438 1.00 0.00 H new ATOM 0 HB3 TYR A 28 42.097 22.829 23.588 1.00 0.00 H new ATOM 0 HD1 TYR A 28 39.802 24.480 23.682 1.00 0.00 H new ATOM 0 HD2 TYR A 28 43.449 25.115 21.473 1.00 0.00 H new ATOM 0 HE1 TYR A 28 38.568 25.885 22.049 1.00 0.00 H new ATOM 0 HE2 TYR A 28 42.199 26.471 19.801 1.00 0.00 H new ATOM 0 HH TYR A 28 40.066 27.920 19.834 1.00 0.00 H new ATOM 476 N THR A 29 43.952 22.784 26.313 1.00 0.00 N ATOM 477 CA THR A 29 44.391 21.623 27.112 1.00 0.00 C ATOM 478 C THR A 29 43.875 21.699 28.550 1.00 0.00 C ATOM 479 O THR A 29 43.329 20.721 29.066 1.00 0.00 O ATOM 480 CB THR A 29 45.925 21.502 27.113 1.00 0.00 C ATOM 481 OG1 THR A 29 46.408 21.563 25.792 1.00 0.00 O ATOM 482 CG2 THR A 29 46.401 20.176 27.704 1.00 0.00 C ATOM 0 H THR A 29 44.720 23.361 25.971 1.00 0.00 H new ATOM 0 HA THR A 29 43.966 20.735 26.644 1.00 0.00 H new ATOM 0 HB THR A 29 46.302 22.324 27.721 1.00 0.00 H new ATOM 0 HG1 THR A 29 47.385 21.487 25.797 1.00 0.00 H new ATOM 0 HG21 THR A 29 47.490 20.138 27.683 1.00 0.00 H new ATOM 0 HG22 THR A 29 46.055 20.092 28.734 1.00 0.00 H new ATOM 0 HG23 THR A 29 45.998 19.351 27.117 1.00 0.00 H new ATOM 490 N LYS A 30 43.977 22.880 29.178 1.00 0.00 N ATOM 491 CA LYS A 30 43.468 23.122 30.532 1.00 0.00 C ATOM 492 C LYS A 30 41.946 23.001 30.585 1.00 0.00 C ATOM 493 O LYS A 30 41.426 22.282 31.439 1.00 0.00 O ATOM 494 CB LYS A 30 43.944 24.508 30.992 1.00 0.00 C ATOM 495 CG LYS A 30 43.598 24.846 32.448 1.00 0.00 C ATOM 496 CD LYS A 30 44.239 23.886 33.456 1.00 0.00 C ATOM 497 CE LYS A 30 44.197 24.516 34.852 1.00 0.00 C ATOM 498 NZ LYS A 30 45.335 24.085 35.691 1.00 0.00 N1+ ATOM 0 H LYS A 30 44.418 23.697 28.756 1.00 0.00 H new ATOM 0 HA LYS A 30 43.859 22.364 31.211 1.00 0.00 H new ATOM 0 HB2 LYS A 30 45.025 24.568 30.865 1.00 0.00 H new ATOM 0 HB3 LYS A 30 43.504 25.264 30.342 1.00 0.00 H new ATOM 0 HG2 LYS A 30 43.924 25.863 32.666 1.00 0.00 H new ATOM 0 HG3 LYS A 30 42.515 24.824 32.572 1.00 0.00 H new ATOM 0 HD2 LYS A 30 43.708 22.934 33.458 1.00 0.00 H new ATOM 0 HD3 LYS A 30 45.270 23.675 33.170 1.00 0.00 H new ATOM 0 HE2 LYS A 30 44.206 25.602 34.760 1.00 0.00 H new ATOM 0 HE3 LYS A 30 43.262 24.246 35.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 45.267 24.535 36.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 45.313 23.051 35.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 46.227 24.365 35.236 1.00 0.00 H new ATOM 512 N LEU A 31 41.246 23.646 29.645 1.00 0.00 N ATOM 513 CA LEU A 31 39.784 23.593 29.562 1.00 0.00 C ATOM 514 C LEU A 31 39.269 22.167 29.320 1.00 0.00 C ATOM 515 O LEU A 31 38.265 21.782 29.913 1.00 0.00 O ATOM 516 CB LEU A 31 39.267 24.563 28.478 1.00 0.00 C ATOM 517 CG LEU A 31 38.566 25.798 29.056 1.00 0.00 C ATOM 518 CD1 LEU A 31 38.200 26.767 27.929 1.00 0.00 C ATOM 519 CD2 LEU A 31 37.276 25.434 29.801 1.00 0.00 C ATOM 0 H LEU A 31 41.678 24.219 28.921 1.00 0.00 H new ATOM 0 HA LEU A 31 39.390 23.911 30.528 1.00 0.00 H new ATOM 0 HB2 LEU A 31 40.104 24.885 27.859 1.00 0.00 H new ATOM 0 HB3 LEU A 31 38.574 24.032 27.825 1.00 0.00 H new ATOM 0 HG LEU A 31 39.263 26.256 29.758 1.00 0.00 H new ATOM 0 HD11 LEU A 31 37.702 27.641 28.348 1.00 0.00 H new ATOM 0 HD12 LEU A 31 39.106 27.079 27.409 1.00 0.00 H new ATOM 0 HD13 LEU A 31 37.531 26.271 27.226 1.00 0.00 H new ATOM 0 HD21 LEU A 31 36.814 26.340 30.193 1.00 0.00 H new ATOM 0 HD22 LEU A 31 36.586 24.943 29.115 1.00 0.00 H new ATOM 0 HD23 LEU A 31 37.510 24.760 30.625 1.00 0.00 H new ATOM 531 N CYS A 32 39.956 21.364 28.503 1.00 0.00 N ATOM 532 CA CYS A 32 39.585 19.977 28.221 1.00 0.00 C ATOM 533 C CYS A 32 39.560 19.130 29.505 1.00 0.00 C ATOM 534 O CYS A 32 38.543 18.509 29.812 1.00 0.00 O ATOM 535 CB CYS A 32 40.575 19.418 27.188 1.00 0.00 C ATOM 536 SG CYS A 32 39.962 17.859 26.501 1.00 0.00 S ATOM 0 H CYS A 32 40.798 21.665 28.012 1.00 0.00 H new ATOM 0 HA CYS A 32 38.574 19.939 27.814 1.00 0.00 H new ATOM 0 HB2 CYS A 32 40.722 20.143 26.387 1.00 0.00 H new ATOM 0 HB3 CYS A 32 41.547 19.259 27.656 1.00 0.00 H new ATOM 0 HG CYS A 32 38.781 17.607 26.983 1.00 0.00 H new ATOM 542 N ASN A 33 40.650 19.163 30.287 1.00 0.00 N ATOM 543 CA ASN A 33 40.768 18.394 31.531 1.00 0.00 C ATOM 544 C ASN A 33 39.696 18.825 32.551 1.00 0.00 C ATOM 545 O ASN A 33 38.907 17.988 32.993 1.00 0.00 O ATOM 546 CB ASN A 33 42.216 18.499 32.066 1.00 0.00 C ATOM 547 CG ASN A 33 42.517 17.602 33.265 1.00 0.00 C ATOM 548 OD1 ASN A 33 41.807 17.585 34.265 1.00 0.00 O ATOM 549 ND2 ASN A 33 43.572 16.822 33.222 1.00 0.00 N ATOM 0 H ASN A 33 41.474 19.725 30.073 1.00 0.00 H new ATOM 0 HA ASN A 33 40.574 17.339 31.338 1.00 0.00 H new ATOM 0 HB2 ASN A 33 42.906 18.250 31.260 1.00 0.00 H new ATOM 0 HB3 ASN A 33 42.412 19.534 32.345 1.00 0.00 H new ATOM 0 HD21 ASN A 33 43.790 16.215 34.012 1.00 0.00 H new ATOM 0 HD22 ASN A 33 44.174 16.823 32.398 1.00 0.00 H new ATOM 556 N ILE A 34 39.592 20.118 32.887 1.00 0.00 N ATOM 557 CA ILE A 34 38.593 20.567 33.877 1.00 0.00 C ATOM 558 C ILE A 34 37.152 20.346 33.390 1.00 0.00 C ATOM 559 O ILE A 34 36.273 20.045 34.199 1.00 0.00 O ATOM 560 CB ILE A 34 38.831 22.029 34.323 1.00 0.00 C ATOM 561 CG1 ILE A 34 38.479 23.037 33.210 1.00 0.00 C ATOM 562 CG2 ILE A 34 40.267 22.203 34.856 1.00 0.00 C ATOM 563 CD1 ILE A 34 38.769 24.494 33.564 1.00 0.00 C ATOM 0 H ILE A 34 40.173 20.861 32.499 1.00 0.00 H new ATOM 0 HA ILE A 34 38.728 19.940 34.758 1.00 0.00 H new ATOM 0 HB ILE A 34 38.151 22.250 35.145 1.00 0.00 H new ATOM 0 HG12 ILE A 34 39.037 22.776 32.311 1.00 0.00 H new ATOM 0 HG13 ILE A 34 37.421 22.938 32.968 1.00 0.00 H new ATOM 0 HG21 ILE A 34 40.417 23.237 35.165 1.00 0.00 H new ATOM 0 HG22 ILE A 34 40.421 21.543 35.710 1.00 0.00 H new ATOM 0 HG23 ILE A 34 40.980 21.952 34.070 1.00 0.00 H new ATOM 0 HD11 ILE A 34 38.492 25.134 32.726 1.00 0.00 H new ATOM 0 HD12 ILE A 34 38.190 24.777 34.443 1.00 0.00 H new ATOM 0 HD13 ILE A 34 39.832 24.612 33.775 1.00 0.00 H new ATOM 575 N SER A 35 36.889 20.449 32.081 1.00 0.00 N ATOM 576 CA SER A 35 35.545 20.260 31.527 1.00 0.00 C ATOM 577 C SER A 35 35.117 18.794 31.415 1.00 0.00 C ATOM 578 O SER A 35 33.908 18.556 31.350 1.00 0.00 O ATOM 579 CB SER A 35 35.375 21.004 30.200 1.00 0.00 C ATOM 580 OG SER A 35 33.999 21.080 29.876 1.00 0.00 O ATOM 0 H SER A 35 37.599 20.665 31.381 1.00 0.00 H new ATOM 0 HA SER A 35 34.864 20.703 32.254 1.00 0.00 H new ATOM 0 HB2 SER A 35 35.798 22.006 30.275 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.918 20.487 29.409 1.00 0.00 H new ATOM 0 HG SER A 35 33.889 21.557 29.027 1.00 0.00 H new ATOM 586 N LYS A 36 36.039 17.819 31.497 1.00 0.00 N ATOM 587 CA LYS A 36 35.735 16.382 31.612 1.00 0.00 C ATOM 588 C LYS A 36 35.093 15.746 30.361 1.00 0.00 C ATOM 589 O LYS A 36 34.268 14.838 30.477 1.00 0.00 O ATOM 590 CB LYS A 36 34.927 16.184 32.907 1.00 0.00 C ATOM 591 CG LYS A 36 35.305 14.913 33.669 1.00 0.00 C ATOM 592 CD LYS A 36 34.289 14.615 34.785 1.00 0.00 C ATOM 593 CE LYS A 36 34.235 15.762 35.806 1.00 0.00 C ATOM 594 NZ LYS A 36 33.120 15.617 36.766 1.00 0.00 N1+ ATOM 0 H LYS A 36 37.040 18.013 31.485 1.00 0.00 H new ATOM 0 HA LYS A 36 36.672 15.828 31.672 1.00 0.00 H new ATOM 0 HB2 LYS A 36 35.078 17.047 33.556 1.00 0.00 H new ATOM 0 HB3 LYS A 36 33.865 16.150 32.663 1.00 0.00 H new ATOM 0 HG2 LYS A 36 35.349 14.071 32.979 1.00 0.00 H new ATOM 0 HG3 LYS A 36 36.300 15.025 34.099 1.00 0.00 H new ATOM 0 HD2 LYS A 36 33.301 14.464 34.350 1.00 0.00 H new ATOM 0 HD3 LYS A 36 34.560 13.688 35.290 1.00 0.00 H new ATOM 0 HE2 LYS A 36 35.177 15.802 36.353 1.00 0.00 H new ATOM 0 HE3 LYS A 36 34.133 16.710 35.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 33.129 16.416 37.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 32.217 15.606 36.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 33.229 14.727 37.292 1.00 0.00 H new ATOM 608 N LEU A 37 35.435 16.259 29.178 1.00 0.00 N ATOM 609 CA LEU A 37 34.891 15.895 27.869 1.00 0.00 C ATOM 610 C LEU A 37 35.971 15.946 26.771 1.00 0.00 C ATOM 611 O LEU A 37 37.100 16.363 27.026 1.00 0.00 O ATOM 612 CB LEU A 37 33.688 16.806 27.559 1.00 0.00 C ATOM 613 CG LEU A 37 33.919 18.327 27.551 1.00 0.00 C ATOM 614 CD1 LEU A 37 34.758 18.844 26.388 1.00 0.00 C ATOM 615 CD2 LEU A 37 32.571 19.034 27.501 1.00 0.00 C ATOM 0 H LEU A 37 36.146 16.987 29.104 1.00 0.00 H new ATOM 0 HA LEU A 37 34.546 14.861 27.892 1.00 0.00 H new ATOM 0 HB2 LEU A 37 33.297 16.522 26.582 1.00 0.00 H new ATOM 0 HB3 LEU A 37 32.908 16.590 28.289 1.00 0.00 H new ATOM 0 HG LEU A 37 34.478 18.541 28.462 1.00 0.00 H new ATOM 0 HD11 LEU A 37 34.865 19.926 26.469 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.743 18.379 26.415 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.266 18.598 25.447 1.00 0.00 H new ATOM 0 HD21 LEU A 37 32.726 20.113 27.495 1.00 0.00 H new ATOM 0 HD22 LEU A 37 32.039 18.739 26.597 1.00 0.00 H new ATOM 0 HD23 LEU A 37 31.982 18.757 28.375 1.00 0.00 H new ATOM 627 N SER A 38 35.636 15.524 25.547 1.00 0.00 N ATOM 628 CA SER A 38 36.614 15.411 24.454 1.00 0.00 C ATOM 629 C SER A 38 37.247 16.746 24.027 1.00 0.00 C ATOM 630 O SER A 38 36.600 17.798 23.986 1.00 0.00 O ATOM 631 CB SER A 38 35.996 14.713 23.234 1.00 0.00 C ATOM 632 OG SER A 38 35.069 15.543 22.561 1.00 0.00 O ATOM 0 H SER A 38 34.688 15.253 25.285 1.00 0.00 H new ATOM 0 HA SER A 38 37.424 14.805 24.861 1.00 0.00 H new ATOM 0 HB2 SER A 38 36.788 14.420 22.544 1.00 0.00 H new ATOM 0 HB3 SER A 38 35.498 13.798 23.554 1.00 0.00 H new ATOM 0 HG SER A 38 35.265 15.541 21.601 1.00 0.00 H new ATOM 638 N MET A 39 38.506 16.673 23.571 1.00 0.00 N ATOM 639 CA MET A 39 39.231 17.812 22.981 1.00 0.00 C ATOM 640 C MET A 39 38.574 18.348 21.695 1.00 0.00 C ATOM 641 O MET A 39 38.815 19.486 21.293 1.00 0.00 O ATOM 642 CB MET A 39 40.705 17.439 22.749 1.00 0.00 C ATOM 643 CG MET A 39 40.941 16.473 21.578 1.00 0.00 C ATOM 644 SD MET A 39 42.675 15.983 21.377 1.00 0.00 S ATOM 645 CE MET A 39 42.808 14.753 22.704 1.00 0.00 C ATOM 0 H MET A 39 39.056 15.815 23.601 1.00 0.00 H new ATOM 0 HA MET A 39 39.182 18.631 23.699 1.00 0.00 H new ATOM 0 HB2 MET A 39 41.274 18.352 22.571 1.00 0.00 H new ATOM 0 HB3 MET A 39 41.101 16.989 23.660 1.00 0.00 H new ATOM 0 HG2 MET A 39 40.335 15.579 21.728 1.00 0.00 H new ATOM 0 HG3 MET A 39 40.596 16.942 20.656 1.00 0.00 H new ATOM 0 HE1 MET A 39 43.714 14.937 23.281 1.00 0.00 H new ATOM 0 HE2 MET A 39 41.939 14.828 23.358 1.00 0.00 H new ATOM 0 HE3 MET A 39 42.850 13.754 22.271 1.00 0.00 H new ATOM 655 N SER A 40 37.719 17.546 21.056 1.00 0.00 N ATOM 656 CA SER A 40 36.850 17.978 19.963 1.00 0.00 C ATOM 657 C SER A 40 35.652 18.798 20.474 1.00 0.00 C ATOM 658 O SER A 40 35.415 19.897 19.975 1.00 0.00 O ATOM 659 CB SER A 40 36.417 16.751 19.155 1.00 0.00 C ATOM 660 OG SER A 40 35.653 15.833 19.923 1.00 0.00 O ATOM 0 H SER A 40 37.611 16.559 21.290 1.00 0.00 H new ATOM 0 HA SER A 40 37.405 18.648 19.306 1.00 0.00 H new ATOM 0 HB2 SER A 40 35.831 17.075 18.295 1.00 0.00 H new ATOM 0 HB3 SER A 40 37.301 16.246 18.766 1.00 0.00 H new ATOM 0 HG SER A 40 35.400 15.069 19.363 1.00 0.00 H new ATOM 666 N THR A 41 34.946 18.339 21.516 1.00 0.00 N ATOM 667 CA THR A 41 33.762 19.020 22.074 1.00 0.00 C ATOM 668 C THR A 41 34.111 20.397 22.632 1.00 0.00 C ATOM 669 O THR A 41 33.418 21.369 22.336 1.00 0.00 O ATOM 670 CB THR A 41 33.053 18.172 23.152 1.00 0.00 C ATOM 671 OG1 THR A 41 32.656 16.942 22.593 1.00 0.00 O ATOM 672 CG2 THR A 41 31.778 18.840 23.669 1.00 0.00 C ATOM 0 H THR A 41 35.181 17.474 22.003 1.00 0.00 H new ATOM 0 HA THR A 41 33.069 19.152 21.243 1.00 0.00 H new ATOM 0 HB THR A 41 33.763 18.050 23.970 1.00 0.00 H new ATOM 0 HG1 THR A 41 33.432 16.348 22.525 1.00 0.00 H new ATOM 0 HG21 THR A 41 31.316 18.205 24.425 1.00 0.00 H new ATOM 0 HG22 THR A 41 32.026 19.806 24.109 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.082 18.985 22.842 1.00 0.00 H new ATOM 680 N VAL A 42 35.213 20.510 23.383 1.00 0.00 N ATOM 681 CA VAL A 42 35.659 21.787 23.974 1.00 0.00 C ATOM 682 C VAL A 42 36.042 22.836 22.924 1.00 0.00 C ATOM 683 O VAL A 42 35.780 24.024 23.105 1.00 0.00 O ATOM 684 CB VAL A 42 36.802 21.524 24.969 1.00 0.00 C ATOM 685 CG1 VAL A 42 38.131 21.171 24.300 1.00 0.00 C ATOM 686 CG2 VAL A 42 37.049 22.707 25.899 1.00 0.00 C ATOM 0 H VAL A 42 35.823 19.722 23.601 1.00 0.00 H new ATOM 0 HA VAL A 42 34.814 22.217 24.511 1.00 0.00 H new ATOM 0 HB VAL A 42 36.456 20.663 25.540 1.00 0.00 H new ATOM 0 HG11 VAL A 42 38.889 20.999 25.064 1.00 0.00 H new ATOM 0 HG12 VAL A 42 38.009 20.268 23.701 1.00 0.00 H new ATOM 0 HG13 VAL A 42 38.444 21.993 23.657 1.00 0.00 H new ATOM 0 HG21 VAL A 42 37.865 22.469 26.581 1.00 0.00 H new ATOM 0 HG22 VAL A 42 37.313 23.585 25.309 1.00 0.00 H new ATOM 0 HG23 VAL A 42 36.146 22.914 26.473 1.00 0.00 H new ATOM 696 N ARG A 43 36.636 22.411 21.802 1.00 0.00 N ATOM 697 CA ARG A 43 37.002 23.271 20.687 1.00 0.00 C ATOM 698 C ARG A 43 35.780 23.696 19.865 1.00 0.00 C ATOM 699 O ARG A 43 35.651 24.875 19.542 1.00 0.00 O ATOM 700 CB ARG A 43 38.080 22.516 19.897 1.00 0.00 C ATOM 701 CG ARG A 43 38.741 23.441 18.884 1.00 0.00 C ATOM 702 CD ARG A 43 39.977 22.816 18.226 1.00 0.00 C ATOM 703 NE ARG A 43 41.147 22.732 19.133 1.00 0.00 N ATOM 704 CZ ARG A 43 41.765 21.629 19.520 1.00 0.00 C ATOM 705 NH1 ARG A 43 41.358 20.467 19.101 1.00 0.00 N ATOM 706 NH2 ARG A 43 42.796 21.698 20.312 1.00 0.00 N ATOM 0 H ARG A 43 36.879 21.432 21.648 1.00 0.00 H new ATOM 0 HA ARG A 43 37.412 24.223 21.023 1.00 0.00 H new ATOM 0 HB2 ARG A 43 38.830 22.120 20.581 1.00 0.00 H new ATOM 0 HB3 ARG A 43 37.634 21.664 19.384 1.00 0.00 H new ATOM 0 HG2 ARG A 43 38.018 23.703 18.112 1.00 0.00 H new ATOM 0 HG3 ARG A 43 39.029 24.368 19.379 1.00 0.00 H new ATOM 0 HD2 ARG A 43 39.726 21.815 17.875 1.00 0.00 H new ATOM 0 HD3 ARG A 43 40.248 23.403 17.348 1.00 0.00 H new ATOM 0 HE ARG A 43 41.512 23.613 19.495 1.00 0.00 H new ATOM 0 HH11 ARG A 43 40.559 20.403 18.471 1.00 0.00 H new ATOM 0 HH12 ARG A 43 41.838 19.619 19.403 1.00 0.00 H new ATOM 0 HH21 ARG A 43 43.130 22.605 20.636 1.00 0.00 H new ATOM 0 HH22 ARG A 43 43.270 20.845 20.608 1.00 0.00 H new ATOM 720 N ARG A 44 34.839 22.778 19.601 1.00 0.00 N ATOM 721 CA ARG A 44 33.557 23.094 18.942 1.00 0.00 C ATOM 722 C ARG A 44 32.712 24.073 19.761 1.00 0.00 C ATOM 723 O ARG A 44 32.226 25.055 19.201 1.00 0.00 O ATOM 724 CB ARG A 44 32.765 21.809 18.641 1.00 0.00 C ATOM 725 CG ARG A 44 33.379 20.997 17.487 1.00 0.00 C ATOM 726 CD ARG A 44 32.471 19.844 17.039 1.00 0.00 C ATOM 727 NE ARG A 44 32.246 18.836 18.097 1.00 0.00 N ATOM 728 CZ ARG A 44 32.707 17.596 18.119 1.00 0.00 C ATOM 729 NH1 ARG A 44 33.438 17.153 17.145 1.00 0.00 N ATOM 730 NH2 ARG A 44 32.425 16.810 19.112 1.00 0.00 N ATOM 0 H ARG A 44 34.943 21.791 19.838 1.00 0.00 H new ATOM 0 HA ARG A 44 33.794 23.585 17.999 1.00 0.00 H new ATOM 0 HB2 ARG A 44 32.728 21.190 19.537 1.00 0.00 H new ATOM 0 HB3 ARG A 44 31.737 22.070 18.391 1.00 0.00 H new ATOM 0 HG2 ARG A 44 33.568 21.658 16.641 1.00 0.00 H new ATOM 0 HG3 ARG A 44 34.343 20.597 17.800 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.510 20.249 16.721 1.00 0.00 H new ATOM 0 HD3 ARG A 44 32.914 19.357 16.170 1.00 0.00 H new ATOM 0 HE ARG A 44 31.677 19.127 18.892 1.00 0.00 H new ATOM 0 HH11 ARG A 44 33.660 17.761 16.357 1.00 0.00 H new ATOM 0 HH12 ARG A 44 33.791 16.196 17.167 1.00 0.00 H new ATOM 0 HH21 ARG A 44 31.845 17.147 19.881 1.00 0.00 H new ATOM 0 HH22 ARG A 44 32.783 15.855 19.124 1.00 0.00 H new ATOM 744 N SER A 45 32.573 23.861 21.073 1.00 0.00 N ATOM 745 CA SER A 45 31.799 24.760 21.940 1.00 0.00 C ATOM 746 C SER A 45 32.421 26.157 22.015 1.00 0.00 C ATOM 747 O SER A 45 31.711 27.126 21.763 1.00 0.00 O ATOM 748 CB SER A 45 31.596 24.151 23.330 1.00 0.00 C ATOM 749 OG SER A 45 32.780 24.206 24.092 1.00 0.00 O ATOM 0 H SER A 45 32.989 23.069 21.563 1.00 0.00 H new ATOM 0 HA SER A 45 30.814 24.880 21.489 1.00 0.00 H new ATOM 0 HB2 SER A 45 30.801 24.685 23.851 1.00 0.00 H new ATOM 0 HB3 SER A 45 31.272 23.115 23.231 1.00 0.00 H new ATOM 0 HG SER A 45 32.673 24.858 24.816 1.00 0.00 H new ATOM 755 N ILE A 46 33.743 26.279 22.216 1.00 0.00 N ATOM 756 CA ILE A 46 34.468 27.565 22.121 1.00 0.00 C ATOM 757 C ILE A 46 34.169 28.286 20.803 1.00 0.00 C ATOM 758 O ILE A 46 33.880 29.482 20.822 1.00 0.00 O ATOM 759 CB ILE A 46 35.993 27.352 22.321 1.00 0.00 C ATOM 760 CG1 ILE A 46 36.326 27.129 23.815 1.00 0.00 C ATOM 761 CG2 ILE A 46 36.882 28.473 21.743 1.00 0.00 C ATOM 762 CD1 ILE A 46 36.356 28.392 24.680 1.00 0.00 C ATOM 0 H ILE A 46 34.344 25.489 22.450 1.00 0.00 H new ATOM 0 HA ILE A 46 34.111 28.210 22.924 1.00 0.00 H new ATOM 0 HB ILE A 46 36.230 26.457 21.746 1.00 0.00 H new ATOM 0 HG12 ILE A 46 35.592 26.440 24.234 1.00 0.00 H new ATOM 0 HG13 ILE A 46 37.298 26.640 23.883 1.00 0.00 H new ATOM 0 HG21 ILE A 46 37.930 28.239 21.929 1.00 0.00 H new ATOM 0 HG22 ILE A 46 36.714 28.554 20.669 1.00 0.00 H new ATOM 0 HG23 ILE A 46 36.631 29.420 22.222 1.00 0.00 H new ATOM 0 HD11 ILE A 46 36.599 28.123 25.708 1.00 0.00 H new ATOM 0 HD12 ILE A 46 37.111 29.078 24.296 1.00 0.00 H new ATOM 0 HD13 ILE A 46 35.379 28.875 24.652 1.00 0.00 H new ATOM 774 N LYS A 47 34.178 27.583 19.663 1.00 0.00 N ATOM 775 CA LYS A 47 33.978 28.223 18.356 1.00 0.00 C ATOM 776 C LYS A 47 32.549 28.744 18.208 1.00 0.00 C ATOM 777 O LYS A 47 32.342 29.872 17.777 1.00 0.00 O ATOM 778 CB LYS A 47 34.371 27.253 17.235 1.00 0.00 C ATOM 779 CG LYS A 47 34.643 28.034 15.940 1.00 0.00 C ATOM 780 CD LYS A 47 35.079 27.113 14.798 1.00 0.00 C ATOM 781 CE LYS A 47 33.884 26.373 14.189 1.00 0.00 C ATOM 782 NZ LYS A 47 34.320 25.322 13.247 1.00 0.00 N1+ ATOM 0 H LYS A 47 34.321 26.574 19.619 1.00 0.00 H new ATOM 0 HA LYS A 47 34.628 29.095 18.282 1.00 0.00 H new ATOM 0 HB2 LYS A 47 35.259 26.690 17.524 1.00 0.00 H new ATOM 0 HB3 LYS A 47 33.573 26.529 17.072 1.00 0.00 H new ATOM 0 HG2 LYS A 47 33.743 28.575 15.647 1.00 0.00 H new ATOM 0 HG3 LYS A 47 35.418 28.779 16.121 1.00 0.00 H new ATOM 0 HD2 LYS A 47 35.578 27.699 14.026 1.00 0.00 H new ATOM 0 HD3 LYS A 47 35.806 26.390 15.169 1.00 0.00 H new ATOM 0 HE2 LYS A 47 33.288 25.925 14.985 1.00 0.00 H new ATOM 0 HE3 LYS A 47 33.241 27.084 13.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 33.486 24.841 12.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 34.868 25.753 12.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 34.914 24.631 13.749 1.00 0.00 H new ATOM 796 N LYS A 48 31.561 27.966 18.653 1.00 0.00 N ATOM 797 CA LYS A 48 30.152 28.382 18.721 1.00 0.00 C ATOM 798 C LYS A 48 29.914 29.532 19.711 1.00 0.00 C ATOM 799 O LYS A 48 29.068 30.385 19.459 1.00 0.00 O ATOM 800 CB LYS A 48 29.312 27.151 19.072 1.00 0.00 C ATOM 801 CG LYS A 48 29.219 26.182 17.878 1.00 0.00 C ATOM 802 CD LYS A 48 28.247 25.026 18.156 1.00 0.00 C ATOM 803 CE LYS A 48 26.781 25.411 17.906 1.00 0.00 C ATOM 804 NZ LYS A 48 26.464 25.435 16.457 1.00 0.00 N1+ ATOM 0 H LYS A 48 31.716 27.013 18.982 1.00 0.00 H new ATOM 0 HA LYS A 48 29.854 28.779 17.751 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.753 26.638 19.927 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.311 27.463 19.369 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.892 26.727 16.992 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.208 25.780 17.658 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.508 24.177 17.524 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.362 24.701 19.190 1.00 0.00 H new ATOM 0 HE2 LYS A 48 26.126 24.701 18.411 1.00 0.00 H new ATOM 0 HE3 LYS A 48 26.582 26.391 18.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 25.718 26.137 16.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 27.317 25.690 15.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.134 24.495 16.158 1.00 0.00 H new ATOM 818 N PHE A 49 30.671 29.613 20.803 1.00 0.00 N ATOM 819 CA PHE A 49 30.594 30.727 21.756 1.00 0.00 C ATOM 820 C PHE A 49 31.154 32.057 21.237 1.00 0.00 C ATOM 821 O PHE A 49 30.833 33.091 21.826 1.00 0.00 O ATOM 822 CB PHE A 49 31.249 30.337 23.085 1.00 0.00 C ATOM 823 CG PHE A 49 30.615 29.190 23.845 1.00 0.00 C ATOM 824 CD1 PHE A 49 29.222 28.978 23.805 1.00 0.00 C ATOM 825 CD2 PHE A 49 31.428 28.335 24.617 1.00 0.00 C ATOM 826 CE1 PHE A 49 28.647 27.916 24.513 1.00 0.00 C ATOM 827 CE2 PHE A 49 30.857 27.257 25.313 1.00 0.00 C ATOM 828 CZ PHE A 49 29.467 27.058 25.258 1.00 0.00 C ATOM 0 H PHE A 49 31.360 28.905 21.056 1.00 0.00 H new ATOM 0 HA PHE A 49 29.530 30.911 21.907 1.00 0.00 H new ATOM 0 HB2 PHE A 49 32.290 30.081 22.889 1.00 0.00 H new ATOM 0 HB3 PHE A 49 31.253 31.214 23.733 1.00 0.00 H new ATOM 0 HD1 PHE A 49 28.595 29.639 23.225 1.00 0.00 H new ATOM 0 HD2 PHE A 49 32.492 28.509 24.673 1.00 0.00 H new ATOM 0 HE1 PHE A 49 27.579 27.759 24.485 1.00 0.00 H new ATOM 0 HE2 PHE A 49 31.481 26.587 25.886 1.00 0.00 H new ATOM 0 HZ PHE A 49 29.025 26.233 25.797 1.00 0.00 H new ATOM 838 N LEU A 50 31.903 32.060 20.126 1.00 0.00 N ATOM 839 CA LEU A 50 32.193 33.280 19.363 1.00 0.00 C ATOM 840 C LEU A 50 30.893 33.904 18.829 1.00 0.00 C ATOM 841 O LEU A 50 30.693 35.111 18.926 1.00 0.00 O ATOM 842 CB LEU A 50 33.141 32.979 18.193 1.00 0.00 C ATOM 843 CG LEU A 50 34.475 32.311 18.585 1.00 0.00 C ATOM 844 CD1 LEU A 50 35.231 31.960 17.312 1.00 0.00 C ATOM 845 CD2 LEU A 50 35.376 33.230 19.407 1.00 0.00 C ATOM 0 H LEU A 50 32.324 31.218 19.732 1.00 0.00 H new ATOM 0 HA LEU A 50 32.678 33.988 20.035 1.00 0.00 H new ATOM 0 HB2 LEU A 50 32.624 32.333 17.484 1.00 0.00 H new ATOM 0 HB3 LEU A 50 33.359 33.912 17.673 1.00 0.00 H new ATOM 0 HG LEU A 50 34.233 31.435 19.187 1.00 0.00 H new ATOM 0 HD11 LEU A 50 36.178 31.486 17.570 1.00 0.00 H new ATOM 0 HD12 LEU A 50 34.634 31.274 16.712 1.00 0.00 H new ATOM 0 HD13 LEU A 50 35.424 32.868 16.741 1.00 0.00 H new ATOM 0 HD21 LEU A 50 36.300 32.707 19.654 1.00 0.00 H new ATOM 0 HD22 LEU A 50 35.608 34.124 18.829 1.00 0.00 H new ATOM 0 HD23 LEU A 50 34.864 33.515 20.326 1.00 0.00 H new ATOM 857 N GLU A 51 29.974 33.072 18.325 1.00 0.00 N ATOM 858 CA GLU A 51 28.665 33.517 17.827 1.00 0.00 C ATOM 859 C GLU A 51 27.757 33.997 18.971 1.00 0.00 C ATOM 860 O GLU A 51 26.996 34.956 18.816 1.00 0.00 O ATOM 861 CB GLU A 51 27.948 32.390 17.055 1.00 0.00 C ATOM 862 CG GLU A 51 28.810 31.550 16.095 1.00 0.00 C ATOM 863 CD GLU A 51 29.598 32.358 15.056 1.00 0.00 C ATOM 864 OE1 GLU A 51 29.312 33.561 14.832 1.00 0.00 O ATOM 865 OE2 GLU A 51 30.510 31.780 14.425 1.00 0.00 O ATOM 0 H GLU A 51 30.117 32.065 18.250 1.00 0.00 H new ATOM 0 HA GLU A 51 28.856 34.352 17.153 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.494 31.716 17.781 1.00 0.00 H new ATOM 0 HB3 GLU A 51 27.135 32.835 16.481 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.513 30.960 16.683 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.163 30.846 15.571 1.00 0.00 H new ATOM 872 N LEU A 52 27.863 33.366 20.147 1.00 0.00 N ATOM 873 CA LEU A 52 27.143 33.775 21.362 1.00 0.00 C ATOM 874 C LEU A 52 27.771 34.979 22.087 1.00 0.00 C ATOM 875 O LEU A 52 27.246 35.401 23.112 1.00 0.00 O ATOM 876 CB LEU A 52 26.928 32.579 22.313 1.00 0.00 C ATOM 877 CG LEU A 52 26.228 31.355 21.679 1.00 0.00 C ATOM 878 CD1 LEU A 52 25.693 30.439 22.779 1.00 0.00 C ATOM 879 CD2 LEU A 52 25.023 31.706 20.799 1.00 0.00 C ATOM 0 H LEU A 52 28.457 32.548 20.284 1.00 0.00 H new ATOM 0 HA LEU A 52 26.167 34.124 21.026 1.00 0.00 H new ATOM 0 HB2 LEU A 52 27.897 32.264 22.700 1.00 0.00 H new ATOM 0 HB3 LEU A 52 26.338 32.914 23.166 1.00 0.00 H new ATOM 0 HG LEU A 52 26.991 30.885 21.059 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.200 29.578 22.328 1.00 0.00 H new ATOM 0 HD12 LEU A 52 26.519 30.099 23.403 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.977 30.986 23.392 1.00 0.00 H new ATOM 0 HD21 LEU A 52 24.590 30.792 20.393 1.00 0.00 H new ATOM 0 HD22 LEU A 52 24.275 32.227 21.397 1.00 0.00 H new ATOM 0 HD23 LEU A 52 25.345 32.349 19.980 1.00 0.00 H new ATOM 891 N GLN A 53 28.949 35.427 21.663 1.00 0.00 N ATOM 892 CA GLN A 53 29.584 36.611 22.259 1.00 0.00 C ATOM 893 C GLN A 53 30.103 36.365 23.679 1.00 0.00 C ATOM 894 O GLN A 53 30.514 37.292 24.376 1.00 0.00 O ATOM 895 CB GLN A 53 28.599 37.782 22.272 1.00 0.00 C ATOM 896 CG GLN A 53 27.975 38.083 20.919 1.00 0.00 C ATOM 897 CD GLN A 53 29.009 38.386 19.853 1.00 0.00 C ATOM 898 OE1 GLN A 53 30.211 38.391 20.120 1.00 0.00 O ATOM 899 NE2 GLN A 53 28.545 38.641 18.634 1.00 0.00 N ATOM 0 H GLN A 53 29.486 34.994 20.912 1.00 0.00 H new ATOM 0 HA GLN A 53 30.448 36.847 21.638 1.00 0.00 H new ATOM 0 HB2 GLN A 53 27.805 37.567 22.987 1.00 0.00 H new ATOM 0 HB3 GLN A 53 29.115 38.673 22.628 1.00 0.00 H new ATOM 0 HG2 GLN A 53 27.373 37.231 20.604 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.299 38.933 21.016 1.00 0.00 H new ATOM 0 HE21 GLN A 53 27.541 38.626 18.457 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.193 38.852 17.875 1.00 0.00 H new ATOM 908 N TYR A 54 30.075 35.105 24.086 1.00 0.00 N ATOM 909 CA TYR A 54 30.529 34.690 25.417 1.00 0.00 C ATOM 910 C TYR A 54 32.050 34.502 25.474 1.00 0.00 C ATOM 911 O TYR A 54 32.650 34.731 26.519 1.00 0.00 O ATOM 912 CB TYR A 54 29.819 33.396 25.850 1.00 0.00 C ATOM 913 CG TYR A 54 28.300 33.436 25.922 1.00 0.00 C ATOM 914 CD1 TYR A 54 27.612 34.625 26.241 1.00 0.00 C ATOM 915 CD2 TYR A 54 27.567 32.258 25.683 1.00 0.00 C ATOM 916 CE1 TYR A 54 26.206 34.649 26.269 1.00 0.00 C ATOM 917 CE2 TYR A 54 26.159 32.274 25.718 1.00 0.00 C ATOM 918 CZ TYR A 54 25.473 33.480 25.976 1.00 0.00 C ATOM 919 OH TYR A 54 24.113 33.503 25.938 1.00 0.00 O ATOM 0 H TYR A 54 29.738 34.336 23.507 1.00 0.00 H new ATOM 0 HA TYR A 54 30.270 35.491 26.110 1.00 0.00 H new ATOM 0 HB2 TYR A 54 30.105 32.604 25.158 1.00 0.00 H new ATOM 0 HB3 TYR A 54 30.198 33.113 26.832 1.00 0.00 H new ATOM 0 HD1 TYR A 54 28.168 35.523 26.465 1.00 0.00 H new ATOM 0 HD2 TYR A 54 28.088 31.336 25.471 1.00 0.00 H new ATOM 0 HE1 TYR A 54 25.687 35.564 26.515 1.00 0.00 H new ATOM 0 HE2 TYR A 54 25.604 31.363 25.547 1.00 0.00 H new ATOM 0 HH TYR A 54 23.777 32.609 25.720 1.00 0.00 H new ATOM 929 N VAL A 55 32.687 34.113 24.363 1.00 0.00 N ATOM 930 CA VAL A 55 34.153 33.993 24.252 1.00 0.00 C ATOM 931 C VAL A 55 34.665 34.749 23.028 1.00 0.00 C ATOM 932 O VAL A 55 33.910 35.014 22.092 1.00 0.00 O ATOM 933 CB VAL A 55 34.653 32.526 24.282 1.00 0.00 C ATOM 934 CG1 VAL A 55 34.103 31.742 25.476 1.00 0.00 C ATOM 935 CG2 VAL A 55 34.376 31.774 22.980 1.00 0.00 C ATOM 0 H VAL A 55 32.196 33.869 23.503 1.00 0.00 H new ATOM 0 HA VAL A 55 34.576 34.459 25.142 1.00 0.00 H new ATOM 0 HB VAL A 55 35.735 32.598 24.396 1.00 0.00 H new ATOM 0 HG11 VAL A 55 34.485 30.721 25.448 1.00 0.00 H new ATOM 0 HG12 VAL A 55 34.418 32.222 26.403 1.00 0.00 H new ATOM 0 HG13 VAL A 55 33.014 31.724 25.429 1.00 0.00 H new ATOM 0 HG21 VAL A 55 34.749 30.753 23.063 1.00 0.00 H new ATOM 0 HG22 VAL A 55 33.302 31.754 22.793 1.00 0.00 H new ATOM 0 HG23 VAL A 55 34.879 32.278 22.155 1.00 0.00 H new ATOM 945 N LYS A 56 35.958 35.076 23.018 1.00 0.00 N ATOM 946 CA LYS A 56 36.649 35.701 21.885 1.00 0.00 C ATOM 947 C LYS A 56 38.118 35.289 21.865 1.00 0.00 C ATOM 948 O LYS A 56 38.744 35.124 22.906 1.00 0.00 O ATOM 949 CB LYS A 56 36.474 37.234 21.946 1.00 0.00 C ATOM 950 CG LYS A 56 35.205 37.726 21.229 1.00 0.00 C ATOM 951 CD LYS A 56 35.260 37.576 19.702 1.00 0.00 C ATOM 952 CE LYS A 56 34.776 38.833 18.962 1.00 0.00 C ATOM 953 NZ LYS A 56 34.632 38.594 17.510 1.00 0.00 N1+ ATOM 0 H LYS A 56 36.571 34.910 23.817 1.00 0.00 H new ATOM 0 HA LYS A 56 36.207 35.354 20.951 1.00 0.00 H new ATOM 0 HB2 LYS A 56 36.440 37.548 22.989 1.00 0.00 H new ATOM 0 HB3 LYS A 56 37.345 37.711 21.498 1.00 0.00 H new ATOM 0 HG2 LYS A 56 34.346 37.172 21.609 1.00 0.00 H new ATOM 0 HG3 LYS A 56 35.042 38.775 21.476 1.00 0.00 H new ATOM 0 HD2 LYS A 56 36.283 37.354 19.400 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.648 36.725 19.403 1.00 0.00 H new ATOM 0 HE2 LYS A 56 33.819 39.152 19.375 1.00 0.00 H new ATOM 0 HE3 LYS A 56 35.482 39.647 19.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 34.304 39.465 17.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 35.551 38.314 17.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.940 37.835 17.350 1.00 0.00 H new ATOM 967 N GLU A 57 38.687 35.113 20.679 1.00 0.00 N ATOM 968 CA GLU A 57 40.138 34.964 20.540 1.00 0.00 C ATOM 969 C GLU A 57 40.865 36.303 20.764 1.00 0.00 C ATOM 970 O GLU A 57 40.254 37.373 20.682 1.00 0.00 O ATOM 971 CB GLU A 57 40.466 34.287 19.204 1.00 0.00 C ATOM 972 CG GLU A 57 40.156 35.109 17.950 1.00 0.00 C ATOM 973 CD GLU A 57 40.796 34.469 16.711 1.00 0.00 C ATOM 974 OE1 GLU A 57 41.719 33.638 16.875 1.00 0.00 O ATOM 975 OE2 GLU A 57 40.335 34.800 15.591 1.00 0.00 O ATOM 0 H GLU A 57 38.172 35.069 19.800 1.00 0.00 H new ATOM 0 HA GLU A 57 40.516 34.307 21.323 1.00 0.00 H new ATOM 0 HB2 GLU A 57 41.526 34.033 19.197 1.00 0.00 H new ATOM 0 HB3 GLU A 57 39.913 33.349 19.147 1.00 0.00 H new ATOM 0 HG2 GLU A 57 39.077 35.180 17.813 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.529 36.126 18.074 1.00 0.00 H new ATOM 1076 N LYS A 65 47.984 31.227 19.614 1.00 0.00 N ATOM 1077 CA LYS A 65 46.538 31.525 19.647 1.00 0.00 C ATOM 1078 C LYS A 65 45.804 30.968 20.875 1.00 0.00 C ATOM 1079 O LYS A 65 46.044 29.846 21.313 1.00 0.00 O ATOM 1080 CB LYS A 65 45.894 31.043 18.332 1.00 0.00 C ATOM 1081 CG LYS A 65 46.133 29.540 18.096 1.00 0.00 C ATOM 1082 CD LYS A 65 45.619 29.059 16.734 1.00 0.00 C ATOM 1083 CE LYS A 65 46.252 27.696 16.449 1.00 0.00 C ATOM 1084 NZ LYS A 65 45.750 27.070 15.206 1.00 0.00 N1+ ATOM 0 HA LYS A 65 46.435 32.606 19.740 1.00 0.00 H new ATOM 0 HB2 LYS A 65 44.822 31.241 18.358 1.00 0.00 H new ATOM 0 HB3 LYS A 65 46.303 31.612 17.497 1.00 0.00 H new ATOM 0 HG2 LYS A 65 47.200 29.331 18.170 1.00 0.00 H new ATOM 0 HG3 LYS A 65 45.642 28.971 18.885 1.00 0.00 H new ATOM 0 HD2 LYS A 65 44.532 28.981 16.742 1.00 0.00 H new ATOM 0 HD3 LYS A 65 45.881 29.773 15.953 1.00 0.00 H new ATOM 0 HE2 LYS A 65 47.334 27.812 16.379 1.00 0.00 H new ATOM 0 HE3 LYS A 65 46.057 27.029 17.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 46.216 26.150 15.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 44.722 26.930 15.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 45.959 27.689 14.397 1.00 0.00 H new ATOM 1098 N THR A 66 44.871 31.759 21.411 1.00 0.00 N ATOM 1099 CA THR A 66 44.180 31.488 22.683 1.00 0.00 C ATOM 1100 C THR A 66 42.898 32.331 22.832 1.00 0.00 C ATOM 1101 O THR A 66 42.739 33.344 22.143 1.00 0.00 O ATOM 1102 CB THR A 66 45.166 31.695 23.842 1.00 0.00 C ATOM 1103 OG1 THR A 66 44.524 31.392 25.056 1.00 0.00 O ATOM 1104 CG2 THR A 66 45.732 33.114 23.940 1.00 0.00 C ATOM 0 H THR A 66 44.566 32.625 20.967 1.00 0.00 H new ATOM 0 HA THR A 66 43.845 30.451 22.698 1.00 0.00 H new ATOM 0 HB THR A 66 46.006 31.030 23.643 1.00 0.00 H new ATOM 0 HG1 THR A 66 45.150 31.521 25.798 1.00 0.00 H new ATOM 0 HG21 THR A 66 46.419 33.174 24.784 1.00 0.00 H new ATOM 0 HG22 THR A 66 46.265 33.358 23.021 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.916 33.822 24.085 1.00 0.00 H new ATOM 1112 N PHE A 67 41.971 31.908 23.705 1.00 0.00 N ATOM 1113 CA PHE A 67 40.566 32.352 23.726 1.00 0.00 C ATOM 1114 C PHE A 67 40.142 32.811 25.128 1.00 0.00 C ATOM 1115 O PHE A 67 40.140 32.032 26.078 1.00 0.00 O ATOM 1116 CB PHE A 67 39.653 31.239 23.165 1.00 0.00 C ATOM 1117 CG PHE A 67 40.097 30.724 21.800 1.00 0.00 C ATOM 1118 CD1 PHE A 67 41.113 29.749 21.726 1.00 0.00 C ATOM 1119 CD2 PHE A 67 39.580 31.270 20.607 1.00 0.00 C ATOM 1120 CE1 PHE A 67 41.662 29.383 20.486 1.00 0.00 C ATOM 1121 CE2 PHE A 67 40.076 30.839 19.363 1.00 0.00 C ATOM 1122 CZ PHE A 67 41.133 29.915 19.299 1.00 0.00 C ATOM 0 H PHE A 67 42.182 31.229 24.436 1.00 0.00 H new ATOM 0 HA PHE A 67 40.462 33.223 23.080 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.631 30.408 23.869 1.00 0.00 H new ATOM 0 HB3 PHE A 67 38.634 31.619 23.088 1.00 0.00 H new ATOM 0 HD1 PHE A 67 41.472 29.280 22.630 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.803 32.019 20.648 1.00 0.00 H new ATOM 0 HE1 PHE A 67 42.491 28.692 20.445 1.00 0.00 H new ATOM 0 HE2 PHE A 67 39.642 31.221 18.451 1.00 0.00 H new ATOM 0 HZ PHE A 67 41.536 29.616 18.343 1.00 0.00 H new ATOM 1132 N TYR A 68 39.817 34.095 25.274 1.00 0.00 N ATOM 1133 CA TYR A 68 39.314 34.679 26.517 1.00 0.00 C ATOM 1134 C TYR A 68 37.782 34.692 26.552 1.00 0.00 C ATOM 1135 O TYR A 68 37.114 34.414 25.556 1.00 0.00 O ATOM 1136 CB TYR A 68 39.914 36.072 26.734 1.00 0.00 C ATOM 1137 CG TYR A 68 39.256 37.176 25.939 1.00 0.00 C ATOM 1138 CD1 TYR A 68 38.041 37.735 26.382 1.00 0.00 C ATOM 1139 CD2 TYR A 68 39.860 37.633 24.755 1.00 0.00 C ATOM 1140 CE1 TYR A 68 37.422 38.755 25.642 1.00 0.00 C ATOM 1141 CE2 TYR A 68 39.243 38.656 24.009 1.00 0.00 C ATOM 1142 CZ TYR A 68 38.018 39.208 24.450 1.00 0.00 C ATOM 1143 OH TYR A 68 37.397 40.170 23.722 1.00 0.00 O ATOM 0 H TYR A 68 39.898 34.772 24.516 1.00 0.00 H new ATOM 0 HA TYR A 68 39.634 34.051 27.348 1.00 0.00 H new ATOM 0 HB2 TYR A 68 39.850 36.319 27.794 1.00 0.00 H new ATOM 0 HB3 TYR A 68 40.973 36.040 26.478 1.00 0.00 H new ATOM 0 HD1 TYR A 68 37.585 37.378 27.293 1.00 0.00 H new ATOM 0 HD2 TYR A 68 40.792 37.202 24.419 1.00 0.00 H new ATOM 0 HE1 TYR A 68 36.495 39.189 25.985 1.00 0.00 H new ATOM 0 HE2 TYR A 68 39.704 39.018 23.102 1.00 0.00 H new ATOM 0 HH TYR A 68 37.933 40.377 22.928 1.00 0.00 H new ATOM 1153 N ILE A 69 37.228 34.998 27.723 1.00 0.00 N ATOM 1154 CA ILE A 69 35.797 34.906 28.011 1.00 0.00 C ATOM 1155 C ILE A 69 35.298 36.257 28.543 1.00 0.00 C ATOM 1156 O ILE A 69 35.989 36.918 29.321 1.00 0.00 O ATOM 1157 CB ILE A 69 35.539 33.685 28.918 1.00 0.00 C ATOM 1158 CG1 ILE A 69 36.038 32.377 28.245 1.00 0.00 C ATOM 1159 CG2 ILE A 69 34.042 33.545 29.235 1.00 0.00 C ATOM 1160 CD1 ILE A 69 37.463 31.940 28.625 1.00 0.00 C ATOM 0 H ILE A 69 37.775 35.325 28.519 1.00 0.00 H new ATOM 0 HA ILE A 69 35.206 34.722 27.114 1.00 0.00 H new ATOM 0 HB ILE A 69 36.091 33.846 29.844 1.00 0.00 H new ATOM 0 HG12 ILE A 69 35.349 31.572 28.500 1.00 0.00 H new ATOM 0 HG13 ILE A 69 35.992 32.505 27.163 1.00 0.00 H new ATOM 0 HG21 ILE A 69 33.885 32.677 29.876 1.00 0.00 H new ATOM 0 HG22 ILE A 69 33.693 34.442 29.747 1.00 0.00 H new ATOM 0 HG23 ILE A 69 33.484 33.417 28.307 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.713 31.017 28.101 1.00 0.00 H new ATOM 0 HD12 ILE A 69 38.170 32.720 28.343 1.00 0.00 H new ATOM 0 HD13 ILE A 69 37.518 31.772 29.701 1.00 0.00 H new ATOM 1172 N THR A 70 34.164 36.721 28.017 1.00 0.00 N ATOM 1173 CA THR A 70 33.681 38.099 28.127 1.00 0.00 C ATOM 1174 C THR A 70 32.870 38.335 29.409 1.00 0.00 C ATOM 1175 O THR A 70 32.244 37.405 29.934 1.00 0.00 O ATOM 1176 CB THR A 70 32.817 38.442 26.896 1.00 0.00 C ATOM 1177 OG1 THR A 70 31.624 37.694 26.867 1.00 0.00 O ATOM 1178 CG2 THR A 70 33.538 38.214 25.568 1.00 0.00 C ATOM 0 H THR A 70 33.532 36.125 27.482 1.00 0.00 H new ATOM 0 HA THR A 70 34.554 38.750 28.171 1.00 0.00 H new ATOM 0 HB THR A 70 32.599 39.505 27.004 1.00 0.00 H new ATOM 0 HG1 THR A 70 31.364 37.528 25.937 1.00 0.00 H new ATOM 0 HG21 THR A 70 32.874 38.475 24.744 1.00 0.00 H new ATOM 0 HG22 THR A 70 34.430 38.839 25.526 1.00 0.00 H new ATOM 0 HG23 THR A 70 33.825 37.166 25.485 1.00 0.00 H new ATOM 1186 N PRO A 71 32.776 39.589 29.900 1.00 0.00 N ATOM 1187 CA PRO A 71 31.836 39.922 30.968 1.00 0.00 C ATOM 1188 C PRO A 71 30.388 39.655 30.542 1.00 0.00 C ATOM 1189 O PRO A 71 29.588 39.265 31.381 1.00 0.00 O ATOM 1190 CB PRO A 71 32.073 41.398 31.293 1.00 0.00 C ATOM 1191 CG PRO A 71 32.565 41.955 29.962 1.00 0.00 C ATOM 1192 CD PRO A 71 33.421 40.806 29.424 1.00 0.00 C ATOM 0 HA PRO A 71 31.998 39.300 31.848 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.160 41.892 31.627 1.00 0.00 H new ATOM 0 HB3 PRO A 71 32.812 41.526 32.084 1.00 0.00 H new ATOM 0 HG2 PRO A 71 31.740 42.196 29.292 1.00 0.00 H new ATOM 0 HG3 PRO A 71 33.146 42.868 30.093 1.00 0.00 H new ATOM 0 HD2 PRO A 71 33.467 40.826 28.335 1.00 0.00 H new ATOM 0 HD3 PRO A 71 34.446 40.876 29.788 1.00 0.00 H new ATOM 1200 N ASN A 72 30.054 39.766 29.248 1.00 0.00 N ATOM 1201 CA ASN A 72 28.730 39.432 28.713 1.00 0.00 C ATOM 1202 C ASN A 72 28.337 37.976 29.008 1.00 0.00 C ATOM 1203 O ASN A 72 27.188 37.710 29.353 1.00 0.00 O ATOM 1204 CB ASN A 72 28.682 39.673 27.193 1.00 0.00 C ATOM 1205 CG ASN A 72 29.119 41.056 26.756 1.00 0.00 C ATOM 1206 OD1 ASN A 72 30.254 41.467 26.956 1.00 0.00 O ATOM 1207 ND2 ASN A 72 28.239 41.807 26.138 1.00 0.00 N ATOM 0 H ASN A 72 30.706 40.095 28.536 1.00 0.00 H new ATOM 0 HA ASN A 72 28.015 40.086 29.213 1.00 0.00 H new ATOM 0 HB2 ASN A 72 29.316 38.935 26.702 1.00 0.00 H new ATOM 0 HB3 ASN A 72 27.664 39.502 26.844 1.00 0.00 H new ATOM 0 HD21 ASN A 72 28.499 42.741 25.820 1.00 0.00 H new ATOM 0 HD22 ASN A 72 27.295 41.457 25.975 1.00 0.00 H new ATOM 1214 N GLY A 73 29.295 37.043 28.916 1.00 0.00 N ATOM 1215 CA GLY A 73 29.115 35.672 29.388 1.00 0.00 C ATOM 1216 C GLY A 73 28.869 35.623 30.897 1.00 0.00 C ATOM 1217 O GLY A 73 27.882 35.030 31.336 1.00 0.00 O ATOM 0 H GLY A 73 30.214 37.222 28.512 1.00 0.00 H new ATOM 0 HA2 GLY A 73 28.274 35.215 28.867 1.00 0.00 H new ATOM 0 HA3 GLY A 73 29.999 35.084 29.144 1.00 0.00 H new ATOM 1221 N ILE A 74 29.712 36.305 31.686 1.00 0.00 N ATOM 1222 CA ILE A 74 29.592 36.354 33.154 1.00 0.00 C ATOM 1223 C ILE A 74 28.226 36.890 33.603 1.00 0.00 C ATOM 1224 O ILE A 74 27.670 36.350 34.550 1.00 0.00 O ATOM 1225 CB ILE A 74 30.727 37.164 33.818 1.00 0.00 C ATOM 1226 CG1 ILE A 74 32.088 36.491 33.555 1.00 0.00 C ATOM 1227 CG2 ILE A 74 30.512 37.300 35.340 1.00 0.00 C ATOM 1228 CD1 ILE A 74 33.261 37.374 33.977 1.00 0.00 C ATOM 0 H ILE A 74 30.501 36.841 31.324 1.00 0.00 H new ATOM 0 HA ILE A 74 29.683 35.321 33.490 1.00 0.00 H new ATOM 0 HB ILE A 74 30.717 38.161 33.378 1.00 0.00 H new ATOM 0 HG12 ILE A 74 32.134 35.546 34.096 1.00 0.00 H new ATOM 0 HG13 ILE A 74 32.176 36.256 32.494 1.00 0.00 H new ATOM 0 HG21 ILE A 74 31.330 37.876 35.773 1.00 0.00 H new ATOM 0 HG22 ILE A 74 29.568 37.811 35.530 1.00 0.00 H new ATOM 0 HG23 ILE A 74 30.486 36.309 35.794 1.00 0.00 H new ATOM 0 HD11 ILE A 74 34.198 36.857 33.772 1.00 0.00 H new ATOM 0 HD12 ILE A 74 33.233 38.309 33.417 1.00 0.00 H new ATOM 0 HD13 ILE A 74 33.190 37.588 35.044 1.00 0.00 H new ATOM 1240 N GLU A 75 27.641 37.896 32.947 1.00 0.00 N ATOM 1241 CA GLU A 75 26.329 38.446 33.347 1.00 0.00 C ATOM 1242 C GLU A 75 25.238 37.360 33.344 1.00 0.00 C ATOM 1243 O GLU A 75 24.377 37.326 34.228 1.00 0.00 O ATOM 1244 CB GLU A 75 25.919 39.636 32.454 1.00 0.00 C ATOM 1245 CG GLU A 75 26.820 40.870 32.635 1.00 0.00 C ATOM 1246 CD GLU A 75 26.485 42.041 31.713 1.00 0.00 C ATOM 1247 OE1 GLU A 75 25.670 41.876 30.774 1.00 0.00 O ATOM 1248 OE2 GLU A 75 27.103 43.117 31.889 1.00 0.00 O ATOM 0 H GLU A 75 28.052 38.352 32.132 1.00 0.00 H new ATOM 0 HA GLU A 75 26.433 38.814 34.368 1.00 0.00 H new ATOM 0 HB2 GLU A 75 25.946 39.324 31.410 1.00 0.00 H new ATOM 0 HB3 GLU A 75 24.888 39.911 32.678 1.00 0.00 H new ATOM 0 HG2 GLU A 75 26.749 41.207 33.669 1.00 0.00 H new ATOM 0 HG3 GLU A 75 27.856 40.576 32.466 1.00 0.00 H new ATOM 1255 N LYS A 76 25.328 36.392 32.420 1.00 0.00 N ATOM 1256 CA LYS A 76 24.469 35.202 32.424 1.00 0.00 C ATOM 1257 C LYS A 76 24.857 34.215 33.525 1.00 0.00 C ATOM 1258 O LYS A 76 23.961 33.717 34.202 1.00 0.00 O ATOM 1259 CB LYS A 76 24.453 34.533 31.044 1.00 0.00 C ATOM 1260 CG LYS A 76 24.171 35.555 29.930 1.00 0.00 C ATOM 1261 CD LYS A 76 23.549 34.921 28.690 1.00 0.00 C ATOM 1262 CE LYS A 76 22.077 34.554 28.916 1.00 0.00 C ATOM 1263 NZ LYS A 76 21.342 34.533 27.637 1.00 0.00 N1+ ATOM 0 H LYS A 76 25.998 36.413 31.651 1.00 0.00 H new ATOM 0 HA LYS A 76 23.455 35.534 32.647 1.00 0.00 H new ATOM 0 HB2 LYS A 76 25.412 34.048 30.861 1.00 0.00 H new ATOM 0 HB3 LYS A 76 23.693 33.752 31.025 1.00 0.00 H new ATOM 0 HG2 LYS A 76 23.503 36.327 30.312 1.00 0.00 H new ATOM 0 HG3 LYS A 76 25.102 36.049 29.652 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.627 35.612 27.851 1.00 0.00 H new ATOM 0 HD3 LYS A 76 24.109 34.026 28.419 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.010 33.577 29.396 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.618 35.274 29.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.348 34.283 27.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.389 35.473 27.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.770 33.829 27.002 1.00 0.00 H new ATOM 1277 N LEU A 77 26.155 34.006 33.779 1.00 0.00 N ATOM 1278 CA LEU A 77 26.645 33.215 34.922 1.00 0.00 C ATOM 1279 C LEU A 77 26.139 33.743 36.280 1.00 0.00 C ATOM 1280 O LEU A 77 25.874 32.958 37.185 1.00 0.00 O ATOM 1281 CB LEU A 77 28.184 33.168 34.978 1.00 0.00 C ATOM 1282 CG LEU A 77 28.955 32.748 33.719 1.00 0.00 C ATOM 1283 CD1 LEU A 77 30.447 32.675 34.045 1.00 0.00 C ATOM 1284 CD2 LEU A 77 28.506 31.418 33.142 1.00 0.00 C ATOM 0 H LEU A 77 26.902 34.382 33.195 1.00 0.00 H new ATOM 0 HA LEU A 77 26.246 32.214 34.755 1.00 0.00 H new ATOM 0 HB2 LEU A 77 28.535 34.159 35.265 1.00 0.00 H new ATOM 0 HB3 LEU A 77 28.465 32.486 35.780 1.00 0.00 H new ATOM 0 HG LEU A 77 28.749 33.503 32.961 1.00 0.00 H new ATOM 0 HD11 LEU A 77 31.000 32.377 33.154 1.00 0.00 H new ATOM 0 HD12 LEU A 77 30.795 33.653 34.378 1.00 0.00 H new ATOM 0 HD13 LEU A 77 30.611 31.943 34.836 1.00 0.00 H new ATOM 0 HD21 LEU A 77 29.096 31.188 32.255 1.00 0.00 H new ATOM 0 HD22 LEU A 77 28.647 30.633 33.885 1.00 0.00 H new ATOM 0 HD23 LEU A 77 27.452 31.476 32.871 1.00 0.00 H new