USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 670 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 40 GLN : amide:sc= 0 X(o=0.88,f=0.73) USER MOD Set 1.2: A 51 THR OG1 : rot -64:sc= 0.879 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.468 USER MOD Single : A 11 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.36) USER MOD Single : A 14 TYR OH : rot 180:sc=-0.00781 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= -0.0798 (180deg=-0.52) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.138 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 159:sc= -0.702 (180deg=-1.58!) USER MOD Single : A 44 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.77) USER MOD Single : A 47 ASN : amide:sc= -5.49 K(o=-5.5,f=-8.4!) USER MOD Single : A 50 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.061) USER MOD Single : A 54 GLN :FLIP amide:sc= -2.2 F(o=-3.6,f=-2.2) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= 0.134 K(o=0.13,f=-1.1) USER MOD Single : A 65 CYS SG : rot 141:sc= -0.418 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 74 LYS NZ :NH3+ -148:sc= -2.9! (180deg=-4.54!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.07 X(o=-1.1,f=-0.92) USER MOD Single : A 85 HIS : no HD1:sc=-0.00731 X(o=-0.0073,f=0) USER MOD ----------------------------------------------------------------- ATOM 57 N LYS A 2 15.520 7.760 -1.792 1.00 0.00 N ATOM 58 CA LYS A 2 16.200 8.456 -2.878 1.00 0.00 C ATOM 59 C LYS A 2 17.706 8.227 -2.813 1.00 0.00 C ATOM 60 O LYS A 2 18.203 7.564 -1.903 1.00 0.00 O ATOM 61 CB LYS A 2 15.899 9.956 -2.818 1.00 0.00 C ATOM 62 CG LYS A 2 14.695 10.368 -3.648 1.00 0.00 C ATOM 63 CD LYS A 2 14.953 10.184 -5.134 1.00 0.00 C ATOM 64 CE LYS A 2 14.088 11.114 -5.969 1.00 0.00 C ATOM 65 NZ LYS A 2 14.121 10.755 -7.414 1.00 0.00 N ATOM 0 HA LYS A 2 15.829 8.054 -3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.730 10.243 -1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.774 10.508 -3.163 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.828 9.777 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.453 11.411 -3.446 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.005 10.374 -5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.752 9.150 -5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.060 11.075 -5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.431 12.141 -5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.519 11.413 -7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.098 10.817 -7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.769 9.784 -7.539 1.00 0.00 H new ATOM 79 N GLU A 3 18.428 8.781 -3.782 1.00 0.00 N ATOM 80 CA GLU A 3 19.878 8.636 -3.833 1.00 0.00 C ATOM 81 C GLU A 3 20.556 9.996 -3.973 1.00 0.00 C ATOM 82 O GLU A 3 20.013 10.910 -4.594 1.00 0.00 O ATOM 83 CB GLU A 3 20.281 7.730 -4.998 1.00 0.00 C ATOM 84 CG GLU A 3 20.099 8.374 -6.362 1.00 0.00 C ATOM 85 CD GLU A 3 19.785 7.364 -7.448 1.00 0.00 C ATOM 86 OE1 GLU A 3 20.693 6.593 -7.823 1.00 0.00 O ATOM 87 OE2 GLU A 3 18.629 7.343 -7.921 1.00 0.00 O ATOM 0 H GLU A 3 18.032 9.334 -4.542 1.00 0.00 H new ATOM 0 HA GLU A 3 20.206 8.181 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.325 7.442 -4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.691 6.815 -4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.294 9.107 -6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 3 21.006 8.916 -6.627 1.00 0.00 H new ATOM 94 N ILE A 4 21.744 10.121 -3.392 1.00 0.00 N ATOM 95 CA ILE A 4 22.496 11.368 -3.452 1.00 0.00 C ATOM 96 C ILE A 4 23.666 11.258 -4.424 1.00 0.00 C ATOM 97 O ILE A 4 24.363 10.243 -4.460 1.00 0.00 O ATOM 98 CB ILE A 4 23.032 11.769 -2.065 1.00 0.00 C ATOM 99 CG1 ILE A 4 23.676 13.156 -2.125 1.00 0.00 C ATOM 100 CG2 ILE A 4 24.031 10.737 -1.564 1.00 0.00 C ATOM 101 CD1 ILE A 4 25.148 13.124 -2.472 1.00 0.00 C ATOM 0 H ILE A 4 22.207 9.374 -2.874 1.00 0.00 H new ATOM 0 HA ILE A 4 21.806 12.136 -3.802 1.00 0.00 H new ATOM 0 HB ILE A 4 22.197 11.806 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 4 23.150 13.760 -2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 4 23.549 13.649 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 4 24.401 11.035 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.543 9.765 -1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.866 10.671 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 4 25.538 14.141 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 4 25.687 12.547 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 4 25.281 12.660 -3.449 1.00 0.00 H new ATOM 113 N ILE A 5 23.875 12.308 -5.210 1.00 0.00 N ATOM 114 CA ILE A 5 24.963 12.331 -6.181 1.00 0.00 C ATOM 115 C ILE A 5 25.735 13.644 -6.111 1.00 0.00 C ATOM 116 O ILE A 5 25.165 14.722 -6.283 1.00 0.00 O ATOM 117 CB ILE A 5 24.440 12.132 -7.616 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.344 11.064 -7.639 1.00 0.00 C ATOM 119 CG2 ILE A 5 25.581 11.747 -8.546 1.00 0.00 C ATOM 120 CD1 ILE A 5 22.820 10.767 -9.027 1.00 0.00 C ATOM 0 H ILE A 5 23.306 13.154 -5.194 1.00 0.00 H new ATOM 0 HA ILE A 5 25.630 11.507 -5.928 1.00 0.00 H new ATOM 0 HB ILE A 5 24.013 13.072 -7.965 1.00 0.00 H new ATOM 0 HG12 ILE A 5 23.734 10.145 -7.202 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.517 11.390 -7.009 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.196 11.610 -9.557 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.331 12.537 -8.548 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.034 10.818 -8.201 1.00 0.00 H new ATOM 0 HD11 ILE A 5 22.046 10.001 -8.968 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.400 11.675 -9.459 1.00 0.00 H new ATOM 0 HD13 ILE A 5 23.636 10.410 -9.655 1.00 0.00 H new ATOM 132 N LEU A 6 27.036 13.545 -5.859 1.00 0.00 N ATOM 133 CA LEU A 6 27.889 14.725 -5.767 1.00 0.00 C ATOM 134 C LEU A 6 28.748 14.874 -7.019 1.00 0.00 C ATOM 135 O LEU A 6 29.430 13.936 -7.431 1.00 0.00 O ATOM 136 CB LEU A 6 28.782 14.639 -4.529 1.00 0.00 C ATOM 137 CG LEU A 6 29.327 13.250 -4.190 1.00 0.00 C ATOM 138 CD1 LEU A 6 30.803 13.329 -3.832 1.00 0.00 C ATOM 139 CD2 LEU A 6 28.532 12.629 -3.051 1.00 0.00 C ATOM 0 H LEU A 6 27.523 12.660 -5.715 1.00 0.00 H new ATOM 0 HA LEU A 6 27.247 15.602 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 6 29.626 15.315 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.217 15.005 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 6 29.221 12.614 -5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 6 31.173 12.332 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.361 13.731 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 6 30.933 13.981 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 6 28.933 11.642 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 6 28.606 13.263 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 6 27.486 12.537 -3.345 1.00 0.00 H new ATOM 151 N TYR A 7 28.710 16.059 -7.618 1.00 0.00 N ATOM 152 CA TYR A 7 29.485 16.331 -8.823 1.00 0.00 C ATOM 153 C TYR A 7 30.670 17.242 -8.515 1.00 0.00 C ATOM 154 O TYR A 7 30.503 18.436 -8.264 1.00 0.00 O ATOM 155 CB TYR A 7 28.598 16.973 -9.891 1.00 0.00 C ATOM 156 CG TYR A 7 27.511 16.057 -10.406 1.00 0.00 C ATOM 157 CD1 TYR A 7 27.743 15.208 -11.481 1.00 0.00 C ATOM 158 CD2 TYR A 7 26.252 16.041 -9.818 1.00 0.00 C ATOM 159 CE1 TYR A 7 26.753 14.370 -11.956 1.00 0.00 C ATOM 160 CE2 TYR A 7 25.257 15.205 -10.285 1.00 0.00 C ATOM 161 CZ TYR A 7 25.511 14.372 -11.354 1.00 0.00 C ATOM 162 OH TYR A 7 24.522 13.539 -11.823 1.00 0.00 O ATOM 0 H TYR A 7 28.151 16.846 -7.289 1.00 0.00 H new ATOM 0 HA TYR A 7 29.868 15.383 -9.200 1.00 0.00 H new ATOM 0 HB2 TYR A 7 28.139 17.871 -9.478 1.00 0.00 H new ATOM 0 HB3 TYR A 7 29.222 17.289 -10.727 1.00 0.00 H new ATOM 0 HD1 TYR A 7 28.714 15.203 -11.953 1.00 0.00 H new ATOM 0 HD2 TYR A 7 26.048 16.693 -8.982 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.950 13.717 -12.794 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.285 15.204 -9.815 1.00 0.00 H new ATOM 0 HH TYR A 7 23.710 13.662 -11.289 1.00 0.00 H new ATOM 172 N THR A 8 31.869 16.669 -8.536 1.00 0.00 N ATOM 173 CA THR A 8 33.083 17.427 -8.258 1.00 0.00 C ATOM 174 C THR A 8 34.324 16.558 -8.427 1.00 0.00 C ATOM 175 O THR A 8 34.227 15.382 -8.778 1.00 0.00 O ATOM 176 CB THR A 8 33.068 18.009 -6.832 1.00 0.00 C ATOM 177 OG1 THR A 8 32.004 17.423 -6.075 1.00 0.00 O ATOM 178 CG2 THR A 8 32.900 19.521 -6.867 1.00 0.00 C ATOM 0 H THR A 8 32.026 15.683 -8.743 1.00 0.00 H new ATOM 0 HA THR A 8 33.116 18.246 -8.976 1.00 0.00 H new ATOM 0 HB THR A 8 34.021 17.776 -6.358 1.00 0.00 H new ATOM 0 HG1 THR A 8 32.002 17.797 -5.169 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.892 19.910 -5.849 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.728 19.966 -7.419 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.960 19.771 -7.358 1.00 0.00 H new ATOM 186 N ARG A 9 35.490 17.145 -8.175 1.00 0.00 N ATOM 187 CA ARG A 9 36.751 16.423 -8.300 1.00 0.00 C ATOM 188 C ARG A 9 37.094 15.699 -7.002 1.00 0.00 C ATOM 189 O ARG A 9 36.637 16.065 -5.918 1.00 0.00 O ATOM 190 CB ARG A 9 37.879 17.387 -8.672 1.00 0.00 C ATOM 191 CG ARG A 9 37.960 18.608 -7.770 1.00 0.00 C ATOM 192 CD ARG A 9 37.378 19.839 -8.446 1.00 0.00 C ATOM 193 NE ARG A 9 38.362 20.520 -9.283 1.00 0.00 N ATOM 194 CZ ARG A 9 39.387 21.212 -8.798 1.00 0.00 C ATOM 195 NH1 ARG A 9 39.562 21.314 -7.488 1.00 0.00 N ATOM 196 NH2 ARG A 9 40.240 21.804 -9.625 1.00 0.00 N ATOM 0 H ARG A 9 35.588 18.118 -7.883 1.00 0.00 H new ATOM 0 HA ARG A 9 36.640 15.681 -9.091 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.829 16.854 -8.633 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.740 17.715 -9.702 1.00 0.00 H new ATOM 0 HG2 ARG A 9 37.422 18.413 -6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 9 39.000 18.796 -7.502 1.00 0.00 H new ATOM 0 HD2 ARG A 9 36.523 19.548 -9.056 1.00 0.00 H new ATOM 0 HD3 ARG A 9 37.008 20.529 -7.687 1.00 0.00 H new ATOM 0 HE ARG A 9 38.256 20.461 -10.296 1.00 0.00 H new ATOM 0 HH11 ARG A 9 38.909 20.860 -6.849 1.00 0.00 H new ATOM 0 HH12 ARG A 9 40.350 21.846 -7.119 1.00 0.00 H new ATOM 0 HH21 ARG A 9 40.109 21.728 -10.634 1.00 0.00 H new ATOM 0 HH22 ARG A 9 41.027 22.335 -9.252 1.00 0.00 H new ATOM 210 N PRO A 10 37.916 14.645 -7.111 1.00 0.00 N ATOM 211 CA PRO A 10 38.338 13.847 -5.957 1.00 0.00 C ATOM 212 C PRO A 10 39.283 14.613 -5.037 1.00 0.00 C ATOM 213 O PRO A 10 39.768 15.688 -5.386 1.00 0.00 O ATOM 214 CB PRO A 10 39.060 12.656 -6.593 1.00 0.00 C ATOM 215 CG PRO A 10 39.532 13.161 -7.913 1.00 0.00 C ATOM 216 CD PRO A 10 38.498 14.152 -8.371 1.00 0.00 C ATOM 0 HA PRO A 10 37.495 13.564 -5.327 1.00 0.00 H new ATOM 0 HB2 PRO A 10 39.894 12.323 -5.975 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.390 11.804 -6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.511 13.632 -7.823 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.635 12.345 -8.629 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.945 14.960 -8.950 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.745 13.683 -9.005 1.00 0.00 H new ATOM 224 N ASN A 11 39.540 14.051 -3.860 1.00 0.00 N ATOM 225 CA ASN A 11 40.427 14.682 -2.889 1.00 0.00 C ATOM 226 C ASN A 11 39.817 15.975 -2.355 1.00 0.00 C ATOM 227 O ASN A 11 40.488 16.760 -1.684 1.00 0.00 O ATOM 228 CB ASN A 11 41.788 14.972 -3.524 1.00 0.00 C ATOM 229 CG ASN A 11 42.252 13.851 -4.434 1.00 0.00 C ATOM 230 OD1 ASN A 11 42.136 12.673 -4.095 1.00 0.00 O ATOM 231 ND2 ASN A 11 42.781 14.213 -5.597 1.00 0.00 N ATOM 0 H ASN A 11 39.147 13.160 -3.556 1.00 0.00 H new ATOM 0 HA ASN A 11 40.562 13.993 -2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 11 41.730 15.899 -4.095 1.00 0.00 H new ATOM 0 HB3 ASN A 11 42.527 15.128 -2.738 1.00 0.00 H new ATOM 0 HD21 ASN A 11 43.111 13.503 -6.250 1.00 0.00 H new ATOM 0 HD22 ASN A 11 42.858 15.201 -5.837 1.00 0.00 H new ATOM 238 N CYS A 12 38.541 16.189 -2.656 1.00 0.00 N ATOM 239 CA CYS A 12 37.839 17.385 -2.207 1.00 0.00 C ATOM 240 C CYS A 12 37.796 17.451 -0.683 1.00 0.00 C ATOM 241 O CYS A 12 37.128 16.656 -0.021 1.00 0.00 O ATOM 242 CB CYS A 12 36.417 17.409 -2.770 1.00 0.00 C ATOM 243 SG CYS A 12 35.536 15.820 -2.634 1.00 0.00 S ATOM 0 H CYS A 12 37.971 15.549 -3.210 1.00 0.00 H new ATOM 0 HA CYS A 12 38.383 18.255 -2.575 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.844 18.176 -2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.458 17.701 -3.819 1.00 0.00 H new ATOM 248 N PRO A 13 38.525 18.420 -0.111 1.00 0.00 N ATOM 249 CA PRO A 13 38.587 18.614 1.341 1.00 0.00 C ATOM 250 C PRO A 13 37.271 19.131 1.913 1.00 0.00 C ATOM 251 O PRO A 13 36.825 18.685 2.970 1.00 0.00 O ATOM 252 CB PRO A 13 39.692 19.658 1.513 1.00 0.00 C ATOM 253 CG PRO A 13 39.715 20.403 0.223 1.00 0.00 C ATOM 254 CD PRO A 13 39.346 19.403 -0.839 1.00 0.00 C ATOM 0 HA PRO A 13 38.779 17.680 1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 13 39.481 20.323 2.350 1.00 0.00 H new ATOM 0 HB3 PRO A 13 40.654 19.187 1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.009 21.233 0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 13 40.701 20.827 0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 13 38.789 19.868 -1.653 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.229 18.941 -1.280 1.00 0.00 H new ATOM 262 N TYR A 14 36.655 20.073 1.208 1.00 0.00 N ATOM 263 CA TYR A 14 35.391 20.653 1.647 1.00 0.00 C ATOM 264 C TYR A 14 34.259 19.636 1.539 1.00 0.00 C ATOM 265 O TYR A 14 33.427 19.518 2.439 1.00 0.00 O ATOM 266 CB TYR A 14 35.059 21.893 0.816 1.00 0.00 C ATOM 267 CG TYR A 14 35.031 21.634 -0.674 1.00 0.00 C ATOM 268 CD1 TYR A 14 33.859 21.247 -1.310 1.00 0.00 C ATOM 269 CD2 TYR A 14 36.179 21.778 -1.445 1.00 0.00 C ATOM 270 CE1 TYR A 14 33.830 21.009 -2.671 1.00 0.00 C ATOM 271 CE2 TYR A 14 36.158 21.544 -2.806 1.00 0.00 C ATOM 272 CZ TYR A 14 34.982 21.159 -3.414 1.00 0.00 C ATOM 273 OH TYR A 14 34.957 20.924 -4.770 1.00 0.00 O ATOM 0 H TYR A 14 37.010 20.451 0.330 1.00 0.00 H new ATOM 0 HA TYR A 14 35.497 20.943 2.693 1.00 0.00 H new ATOM 0 HB2 TYR A 14 34.089 22.280 1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 14 35.794 22.669 1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 14 32.955 21.130 -0.731 1.00 0.00 H new ATOM 0 HD2 TYR A 14 37.102 22.078 -0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 14 32.910 20.707 -3.150 1.00 0.00 H new ATOM 0 HE2 TYR A 14 37.058 21.662 -3.391 1.00 0.00 H new ATOM 0 HH TYR A 14 35.850 21.075 -5.145 1.00 0.00 H new ATOM 283 N CYS A 15 34.235 18.902 0.431 1.00 0.00 N ATOM 284 CA CYS A 15 33.207 17.895 0.203 1.00 0.00 C ATOM 285 C CYS A 15 33.206 16.856 1.321 1.00 0.00 C ATOM 286 O CYS A 15 32.201 16.186 1.561 1.00 0.00 O ATOM 287 CB CYS A 15 33.427 17.207 -1.146 1.00 0.00 C ATOM 288 SG CYS A 15 34.444 15.699 -1.055 1.00 0.00 S ATOM 0 H CYS A 15 34.917 18.987 -0.323 1.00 0.00 H new ATOM 0 HA CYS A 15 32.239 18.396 0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 15 32.457 16.953 -1.575 1.00 0.00 H new ATOM 0 HB3 CYS A 15 33.902 17.912 -1.828 1.00 0.00 H new ATOM 293 N LYS A 16 34.339 16.728 2.003 1.00 0.00 N ATOM 294 CA LYS A 16 34.470 15.773 3.097 1.00 0.00 C ATOM 295 C LYS A 16 33.297 15.890 4.066 1.00 0.00 C ATOM 296 O LYS A 16 32.869 14.901 4.659 1.00 0.00 O ATOM 297 CB LYS A 16 35.786 15.999 3.844 1.00 0.00 C ATOM 298 CG LYS A 16 37.019 15.731 2.998 1.00 0.00 C ATOM 299 CD LYS A 16 38.279 15.686 3.846 1.00 0.00 C ATOM 300 CE LYS A 16 39.390 14.911 3.154 1.00 0.00 C ATOM 301 NZ LYS A 16 40.465 14.516 4.105 1.00 0.00 N ATOM 0 H LYS A 16 35.180 17.274 1.817 1.00 0.00 H new ATOM 0 HA LYS A 16 34.468 14.770 2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 16 35.818 17.028 4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 16 35.811 15.354 4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 16 36.901 14.785 2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 16 37.117 16.508 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 16 38.616 16.702 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.055 15.223 4.807 1.00 0.00 H new ATOM 0 HE2 LYS A 16 38.974 14.019 2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 16 39.816 15.520 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 41.203 13.990 3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 40.880 15.368 4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 40.064 13.914 4.852 1.00 0.00 H new ATOM 315 N ARG A 17 32.782 17.106 4.220 1.00 0.00 N ATOM 316 CA ARG A 17 31.659 17.352 5.116 1.00 0.00 C ATOM 317 C ARG A 17 30.402 16.644 4.620 1.00 0.00 C ATOM 318 O ARG A 17 29.748 15.921 5.370 1.00 0.00 O ATOM 319 CB ARG A 17 31.397 18.854 5.239 1.00 0.00 C ATOM 320 CG ARG A 17 32.562 19.629 5.834 1.00 0.00 C ATOM 321 CD ARG A 17 32.684 21.013 5.215 1.00 0.00 C ATOM 322 NE ARG A 17 33.541 21.892 6.006 1.00 0.00 N ATOM 323 CZ ARG A 17 33.758 23.169 5.709 1.00 0.00 C ATOM 324 NH1 ARG A 17 33.183 23.712 4.644 1.00 0.00 N ATOM 325 NH2 ARG A 17 34.551 23.905 6.477 1.00 0.00 N ATOM 0 H ARG A 17 33.125 17.936 3.736 1.00 0.00 H new ATOM 0 HA ARG A 17 31.916 16.953 6.097 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.170 19.257 4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.514 19.011 5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 17 32.426 19.722 6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 17 33.488 19.075 5.676 1.00 0.00 H new ATOM 0 HD2 ARG A 17 33.088 20.925 4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 17 31.693 21.458 5.124 1.00 0.00 H new ATOM 0 HE ARG A 17 33.998 21.505 6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 17 32.573 23.149 4.051 1.00 0.00 H new ATOM 0 HH12 ARG A 17 33.351 24.692 4.418 1.00 0.00 H new ATOM 0 HH21 ARG A 17 34.995 23.491 7.297 1.00 0.00 H new ATOM 0 HH22 ARG A 17 34.717 24.885 6.248 1.00 0.00 H new ATOM 339 N ALA A 18 30.071 16.859 3.351 1.00 0.00 N ATOM 340 CA ALA A 18 28.893 16.241 2.753 1.00 0.00 C ATOM 341 C ALA A 18 28.966 14.720 2.844 1.00 0.00 C ATOM 342 O ALA A 18 28.049 14.075 3.351 1.00 0.00 O ATOM 343 CB ALA A 18 28.745 16.679 1.304 1.00 0.00 C ATOM 0 H ALA A 18 30.602 17.456 2.717 1.00 0.00 H new ATOM 0 HA ALA A 18 28.017 16.571 3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 18 27.862 16.210 0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.639 17.763 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 18 29.629 16.378 0.741 1.00 0.00 H new ATOM 349 N ARG A 19 30.062 14.154 2.349 1.00 0.00 N ATOM 350 CA ARG A 19 30.253 12.709 2.373 1.00 0.00 C ATOM 351 C ARG A 19 30.241 12.183 3.805 1.00 0.00 C ATOM 352 O ARG A 19 29.763 11.079 4.067 1.00 0.00 O ATOM 353 CB ARG A 19 31.572 12.336 1.693 1.00 0.00 C ATOM 354 CG ARG A 19 32.803 12.737 2.489 1.00 0.00 C ATOM 355 CD ARG A 19 34.084 12.360 1.762 1.00 0.00 C ATOM 356 NE ARG A 19 34.028 12.700 0.343 1.00 0.00 N ATOM 357 CZ ARG A 19 34.804 12.140 -0.579 1.00 0.00 C ATOM 358 NH1 ARG A 19 35.690 11.217 -0.232 1.00 0.00 N ATOM 359 NH2 ARG A 19 34.694 12.503 -1.850 1.00 0.00 N ATOM 0 H ARG A 19 30.831 14.674 1.927 1.00 0.00 H new ATOM 0 HA ARG A 19 29.428 12.250 1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.593 11.259 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.613 12.811 0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.788 13.812 2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.781 12.251 3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 19 34.928 12.872 2.225 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.262 11.290 1.872 1.00 0.00 H new ATOM 0 HE ARG A 19 33.356 13.406 0.043 1.00 0.00 H new ATOM 0 HH11 ARG A 19 35.777 10.935 0.744 1.00 0.00 H new ATOM 0 HH12 ARG A 19 36.285 10.789 -0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 19 34.013 13.213 -2.121 1.00 0.00 H new ATOM 0 HH22 ARG A 19 35.290 12.072 -2.557 1.00 0.00 H new ATOM 373 N ASP A 20 30.770 12.979 4.727 1.00 0.00 N ATOM 374 CA ASP A 20 30.820 12.594 6.133 1.00 0.00 C ATOM 375 C ASP A 20 29.413 12.426 6.700 1.00 0.00 C ATOM 376 O ASP A 20 29.108 11.421 7.344 1.00 0.00 O ATOM 377 CB ASP A 20 31.588 13.639 6.943 1.00 0.00 C ATOM 378 CG ASP A 20 33.075 13.348 7.001 1.00 0.00 C ATOM 379 OD1 ASP A 20 33.590 12.705 6.062 1.00 0.00 O ATOM 380 OD2 ASP A 20 33.724 13.762 7.985 1.00 0.00 O ATOM 0 H ASP A 20 31.171 13.895 4.526 1.00 0.00 H new ATOM 0 HA ASP A 20 31.338 11.638 6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 20 31.430 14.624 6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 20 31.188 13.675 7.956 1.00 0.00 H new ATOM 385 N LEU A 21 28.561 13.416 6.459 1.00 0.00 N ATOM 386 CA LEU A 21 27.187 13.379 6.946 1.00 0.00 C ATOM 387 C LEU A 21 26.429 12.197 6.350 1.00 0.00 C ATOM 388 O LEU A 21 25.732 11.471 7.059 1.00 0.00 O ATOM 389 CB LEU A 21 26.468 14.685 6.604 1.00 0.00 C ATOM 390 CG LEU A 21 25.081 14.869 7.222 1.00 0.00 C ATOM 391 CD1 LEU A 21 24.999 16.195 7.963 1.00 0.00 C ATOM 392 CD2 LEU A 21 24.005 14.789 6.149 1.00 0.00 C ATOM 0 H LEU A 21 28.798 14.255 5.929 1.00 0.00 H new ATOM 0 HA LEU A 21 27.215 13.260 8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 21 27.098 15.517 6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.373 14.751 5.520 1.00 0.00 H new ATOM 0 HG LEU A 21 24.913 14.065 7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 21 24.005 16.309 8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 21 25.745 16.215 8.757 1.00 0.00 H new ATOM 0 HD13 LEU A 21 25.187 17.013 7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 21 23.025 14.922 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.170 15.573 5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 21 24.049 13.815 5.662 1.00 0.00 H new ATOM 404 N LEU A 22 26.572 12.008 5.043 1.00 0.00 N ATOM 405 CA LEU A 22 25.903 10.913 4.350 1.00 0.00 C ATOM 406 C LEU A 22 26.287 9.568 4.960 1.00 0.00 C ATOM 407 O LEU A 22 25.427 8.814 5.416 1.00 0.00 O ATOM 408 CB LEU A 22 26.259 10.931 2.862 1.00 0.00 C ATOM 409 CG LEU A 22 25.426 11.866 1.984 1.00 0.00 C ATOM 410 CD1 LEU A 22 24.880 13.024 2.806 1.00 0.00 C ATOM 411 CD2 LEU A 22 26.257 12.383 0.818 1.00 0.00 C ATOM 0 H LEU A 22 27.146 12.599 4.442 1.00 0.00 H new ATOM 0 HA LEU A 22 24.827 11.049 4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.308 11.211 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 22 26.162 9.917 2.473 1.00 0.00 H new ATOM 0 HG LEU A 22 24.584 11.303 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 22 24.290 13.679 2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 22 24.250 12.637 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 22 25.708 13.587 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 22 25.649 13.047 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 22 27.119 12.930 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 22 26.600 11.542 0.214 1.00 0.00 H new ATOM 423 N ASP A 23 27.582 9.275 4.966 1.00 0.00 N ATOM 424 CA ASP A 23 28.080 8.023 5.523 1.00 0.00 C ATOM 425 C ASP A 23 27.710 7.898 6.997 1.00 0.00 C ATOM 426 O ASP A 23 27.488 6.798 7.502 1.00 0.00 O ATOM 427 CB ASP A 23 29.598 7.934 5.356 1.00 0.00 C ATOM 428 CG ASP A 23 30.120 6.524 5.551 1.00 0.00 C ATOM 429 OD1 ASP A 23 29.911 5.960 6.645 1.00 0.00 O ATOM 430 OD2 ASP A 23 30.739 5.985 4.609 1.00 0.00 O ATOM 0 H ASP A 23 28.306 9.888 4.591 1.00 0.00 H new ATOM 0 HA ASP A 23 27.613 7.201 4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 23 29.872 8.286 4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 23 30.079 8.599 6.073 1.00 0.00 H new ATOM 435 N LYS A 24 27.645 9.034 7.684 1.00 0.00 N ATOM 436 CA LYS A 24 27.302 9.054 9.101 1.00 0.00 C ATOM 437 C LYS A 24 25.849 8.640 9.314 1.00 0.00 C ATOM 438 O LYS A 24 25.522 7.964 10.290 1.00 0.00 O ATOM 439 CB LYS A 24 27.537 10.449 9.684 1.00 0.00 C ATOM 440 CG LYS A 24 28.945 10.658 10.214 1.00 0.00 C ATOM 441 CD LYS A 24 29.150 9.954 11.545 1.00 0.00 C ATOM 442 CE LYS A 24 30.556 10.175 12.082 1.00 0.00 C ATOM 443 NZ LYS A 24 30.840 9.315 13.264 1.00 0.00 N ATOM 0 H LYS A 24 27.826 9.954 7.282 1.00 0.00 H new ATOM 0 HA LYS A 24 27.945 8.339 9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 24 27.333 11.194 8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.825 10.621 10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 24 29.667 10.284 9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.136 11.725 10.332 1.00 0.00 H new ATOM 0 HD2 LYS A 24 28.421 10.321 12.268 1.00 0.00 H new ATOM 0 HD3 LYS A 24 28.969 8.886 11.424 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.282 9.964 11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 24 30.679 11.223 12.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.808 9.495 13.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 30.163 9.534 14.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 30.748 8.314 12.996 1.00 0.00 H new ATOM 457 N LYS A 25 24.981 9.049 8.395 1.00 0.00 N ATOM 458 CA LYS A 25 23.564 8.719 8.480 1.00 0.00 C ATOM 459 C LYS A 25 23.317 7.269 8.075 1.00 0.00 C ATOM 460 O LYS A 25 22.412 6.616 8.592 1.00 0.00 O ATOM 461 CB LYS A 25 22.746 9.655 7.587 1.00 0.00 C ATOM 462 CG LYS A 25 21.966 10.705 8.359 1.00 0.00 C ATOM 463 CD LYS A 25 22.860 11.851 8.802 1.00 0.00 C ATOM 464 CE LYS A 25 22.044 13.041 9.282 1.00 0.00 C ATOM 465 NZ LYS A 25 22.801 13.877 10.255 1.00 0.00 N ATOM 0 H LYS A 25 25.235 9.610 7.582 1.00 0.00 H new ATOM 0 HA LYS A 25 23.249 8.847 9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.417 10.154 6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 25 22.051 9.061 6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.160 11.092 7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.502 10.246 9.232 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.517 11.512 9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.499 12.157 7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.755 13.652 8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.124 12.687 9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 22.210 14.678 10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 23.055 13.301 11.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.667 14.236 9.804 1.00 0.00 H new ATOM 479 N GLY A 26 24.130 6.772 7.148 1.00 0.00 N ATOM 480 CA GLY A 26 23.984 5.402 6.691 1.00 0.00 C ATOM 481 C GLY A 26 23.333 5.313 5.325 1.00 0.00 C ATOM 482 O GLY A 26 22.296 4.669 5.165 1.00 0.00 O ATOM 0 H GLY A 26 24.887 7.293 6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.965 4.928 6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.387 4.843 7.412 1.00 0.00 H new ATOM 486 N VAL A 27 23.941 5.962 4.338 1.00 0.00 N ATOM 487 CA VAL A 27 23.414 5.953 2.978 1.00 0.00 C ATOM 488 C VAL A 27 24.525 5.729 1.959 1.00 0.00 C ATOM 489 O VAL A 27 25.709 5.756 2.298 1.00 0.00 O ATOM 490 CB VAL A 27 22.690 7.272 2.649 1.00 0.00 C ATOM 491 CG1 VAL A 27 21.272 7.254 3.199 1.00 0.00 C ATOM 492 CG2 VAL A 27 23.468 8.458 3.198 1.00 0.00 C ATOM 0 H VAL A 27 24.799 6.501 4.454 1.00 0.00 H new ATOM 0 HA VAL A 27 22.701 5.130 2.920 1.00 0.00 H new ATOM 0 HB VAL A 27 22.633 7.374 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.776 8.194 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.719 6.427 2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.303 7.128 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.942 9.382 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.558 8.364 4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.462 8.479 2.751 1.00 0.00 H new ATOM 502 N LYS A 28 24.137 5.506 0.708 1.00 0.00 N ATOM 503 CA LYS A 28 25.099 5.278 -0.363 1.00 0.00 C ATOM 504 C LYS A 28 25.144 6.468 -1.317 1.00 0.00 C ATOM 505 O LYS A 28 24.227 6.673 -2.113 1.00 0.00 O ATOM 506 CB LYS A 28 24.742 4.005 -1.135 1.00 0.00 C ATOM 507 CG LYS A 28 25.358 2.746 -0.550 1.00 0.00 C ATOM 508 CD LYS A 28 24.490 2.162 0.552 1.00 0.00 C ATOM 509 CE LYS A 28 24.793 0.688 0.778 1.00 0.00 C ATOM 510 NZ LYS A 28 24.426 -0.141 -0.402 1.00 0.00 N ATOM 0 H LYS A 28 23.162 5.478 0.411 1.00 0.00 H new ATOM 0 HA LYS A 28 26.084 5.158 0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.658 3.894 -1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 28 25.070 4.113 -2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.494 2.006 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 28 26.347 2.974 -0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 28 24.654 2.714 1.477 1.00 0.00 H new ATOM 0 HD3 LYS A 28 23.439 2.283 0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 28 25.854 0.564 0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 28 24.248 0.335 1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 24.272 -1.125 -0.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 23.554 0.231 -0.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 25.195 -0.109 -1.101 1.00 0.00 H new ATOM 524 N TYR A 29 26.216 7.248 -1.232 1.00 0.00 N ATOM 525 CA TYR A 29 26.380 8.417 -2.087 1.00 0.00 C ATOM 526 C TYR A 29 27.246 8.090 -3.299 1.00 0.00 C ATOM 527 O TYR A 29 28.175 7.286 -3.214 1.00 0.00 O ATOM 528 CB TYR A 29 27.003 9.569 -1.297 1.00 0.00 C ATOM 529 CG TYR A 29 28.456 9.346 -0.944 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.466 9.666 -1.843 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.819 8.813 0.286 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.795 9.463 -1.526 1.00 0.00 C ATOM 533 CE2 TYR A 29 30.145 8.608 0.613 1.00 0.00 C ATOM 534 CZ TYR A 29 31.130 8.934 -0.297 1.00 0.00 C ATOM 535 OH TYR A 29 32.452 8.730 0.024 1.00 0.00 O ATOM 0 H TYR A 29 26.984 7.092 -0.580 1.00 0.00 H new ATOM 0 HA TYR A 29 25.394 8.718 -2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.916 10.486 -1.879 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.434 9.719 -0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.207 10.081 -2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 29 28.051 8.554 0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.568 9.717 -2.237 1.00 0.00 H new ATOM 0 HE2 TYR A 29 30.410 8.195 1.575 1.00 0.00 H new ATOM 0 HH TYR A 29 32.515 8.353 0.926 1.00 0.00 H new ATOM 545 N THR A 30 26.936 8.719 -4.428 1.00 0.00 N ATOM 546 CA THR A 30 27.685 8.496 -5.658 1.00 0.00 C ATOM 547 C THR A 30 28.603 9.674 -5.965 1.00 0.00 C ATOM 548 O THR A 30 28.143 10.802 -6.142 1.00 0.00 O ATOM 549 CB THR A 30 26.743 8.269 -6.856 1.00 0.00 C ATOM 550 OG1 THR A 30 25.950 7.096 -6.640 1.00 0.00 O ATOM 551 CG2 THR A 30 27.534 8.122 -8.146 1.00 0.00 C ATOM 0 H THR A 30 26.171 9.387 -4.516 1.00 0.00 H new ATOM 0 HA THR A 30 28.287 7.601 -5.503 1.00 0.00 H new ATOM 0 HB THR A 30 26.090 9.137 -6.946 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.353 6.959 -7.405 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.848 7.963 -8.978 1.00 0.00 H new ATOM 0 HG22 THR A 30 28.114 9.028 -8.323 1.00 0.00 H new ATOM 0 HG23 THR A 30 28.209 7.270 -8.064 1.00 0.00 H new ATOM 559 N ASP A 31 29.902 9.404 -6.026 1.00 0.00 N ATOM 560 CA ASP A 31 30.885 10.442 -6.314 1.00 0.00 C ATOM 561 C ASP A 31 31.130 10.558 -7.815 1.00 0.00 C ATOM 562 O ASP A 31 31.700 9.657 -8.432 1.00 0.00 O ATOM 563 CB ASP A 31 32.200 10.143 -5.592 1.00 0.00 C ATOM 564 CG ASP A 31 32.791 8.806 -5.994 1.00 0.00 C ATOM 565 OD1 ASP A 31 32.375 7.777 -5.421 1.00 0.00 O ATOM 566 OD2 ASP A 31 33.667 8.788 -6.883 1.00 0.00 O ATOM 0 H ASP A 31 30.299 8.476 -5.880 1.00 0.00 H new ATOM 0 HA ASP A 31 30.489 11.392 -5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 31 32.918 10.934 -5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 31 32.030 10.153 -4.515 1.00 0.00 H new ATOM 571 N ILE A 32 30.695 11.671 -8.396 1.00 0.00 N ATOM 572 CA ILE A 32 30.867 11.904 -9.825 1.00 0.00 C ATOM 573 C ILE A 32 32.112 12.740 -10.099 1.00 0.00 C ATOM 574 O ILE A 32 32.239 13.863 -9.610 1.00 0.00 O ATOM 575 CB ILE A 32 29.642 12.613 -10.431 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.363 11.842 -10.099 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.805 12.758 -11.937 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.277 10.494 -10.780 1.00 0.00 C ATOM 0 H ILE A 32 30.221 12.425 -7.900 1.00 0.00 H new ATOM 0 HA ILE A 32 30.979 10.926 -10.293 1.00 0.00 H new ATOM 0 HB ILE A 32 29.565 13.610 -9.996 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.304 11.699 -9.020 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.501 12.442 -10.389 1.00 0.00 H new ATOM 0 HG21 ILE A 32 28.931 13.261 -12.351 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.697 13.346 -12.151 1.00 0.00 H new ATOM 0 HG23 ILE A 32 29.903 11.771 -12.389 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.345 10.003 -10.499 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.304 10.630 -11.861 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.120 9.876 -10.471 1.00 0.00 H new ATOM 590 N ASP A 33 33.028 12.187 -10.887 1.00 0.00 N ATOM 591 CA ASP A 33 34.263 12.883 -11.230 1.00 0.00 C ATOM 592 C ASP A 33 33.965 14.238 -11.862 1.00 0.00 C ATOM 593 O ASP A 33 33.012 14.381 -12.628 1.00 0.00 O ATOM 594 CB ASP A 33 35.103 12.034 -12.185 1.00 0.00 C ATOM 595 CG ASP A 33 35.750 10.851 -11.492 1.00 0.00 C ATOM 596 OD1 ASP A 33 36.339 11.047 -10.408 1.00 0.00 O ATOM 597 OD2 ASP A 33 35.666 9.728 -12.033 1.00 0.00 O ATOM 0 H ASP A 33 32.939 11.259 -11.300 1.00 0.00 H new ATOM 0 HA ASP A 33 34.826 13.047 -10.311 1.00 0.00 H new ATOM 0 HB2 ASP A 33 34.472 11.674 -12.998 1.00 0.00 H new ATOM 0 HB3 ASP A 33 35.877 12.656 -12.634 1.00 0.00 H new ATOM 602 N ALA A 34 34.786 15.231 -11.535 1.00 0.00 N ATOM 603 CA ALA A 34 34.611 16.575 -12.072 1.00 0.00 C ATOM 604 C ALA A 34 34.725 16.578 -13.593 1.00 0.00 C ATOM 605 O ALA A 34 34.289 17.520 -14.255 1.00 0.00 O ATOM 606 CB ALA A 34 35.632 17.524 -11.462 1.00 0.00 C ATOM 0 H ALA A 34 35.579 15.130 -10.901 1.00 0.00 H new ATOM 0 HA ALA A 34 33.610 16.917 -11.809 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.490 18.524 -11.872 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.501 17.553 -10.380 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.638 17.176 -11.696 1.00 0.00 H new ATOM 612 N SER A 35 35.314 15.520 -14.139 1.00 0.00 N ATOM 613 CA SER A 35 35.489 15.403 -15.582 1.00 0.00 C ATOM 614 C SER A 35 34.172 15.648 -16.311 1.00 0.00 C ATOM 615 O SER A 35 33.265 14.815 -16.278 1.00 0.00 O ATOM 616 CB SER A 35 36.034 14.019 -15.941 1.00 0.00 C ATOM 617 OG SER A 35 36.235 13.896 -17.338 1.00 0.00 O ATOM 0 H SER A 35 35.678 14.731 -13.604 1.00 0.00 H new ATOM 0 HA SER A 35 36.206 16.161 -15.898 1.00 0.00 H new ATOM 0 HB2 SER A 35 36.976 13.849 -15.419 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.338 13.252 -15.602 1.00 0.00 H new ATOM 0 HG SER A 35 36.585 13.003 -17.541 1.00 0.00 H new ATOM 623 N THR A 36 34.072 16.798 -16.971 1.00 0.00 N ATOM 624 CA THR A 36 32.867 17.154 -17.708 1.00 0.00 C ATOM 625 C THR A 36 32.490 16.066 -18.707 1.00 0.00 C ATOM 626 O THR A 36 31.324 15.923 -19.073 1.00 0.00 O ATOM 627 CB THR A 36 33.042 18.487 -18.460 1.00 0.00 C ATOM 628 OG1 THR A 36 34.123 18.385 -19.393 1.00 0.00 O ATOM 629 CG2 THR A 36 33.309 19.626 -17.488 1.00 0.00 C ATOM 0 H THR A 36 34.812 17.499 -17.010 1.00 0.00 H new ATOM 0 HA THR A 36 32.068 17.261 -16.974 1.00 0.00 H new ATOM 0 HB THR A 36 32.118 18.699 -18.998 1.00 0.00 H new ATOM 0 HG1 THR A 36 34.226 19.236 -19.868 1.00 0.00 H new ATOM 0 HG21 THR A 36 33.429 20.557 -18.042 1.00 0.00 H new ATOM 0 HG22 THR A 36 32.470 19.720 -16.798 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.219 19.419 -16.926 1.00 0.00 H new ATOM 637 N SER A 37 33.485 15.300 -19.143 1.00 0.00 N ATOM 638 CA SER A 37 33.258 14.225 -20.102 1.00 0.00 C ATOM 639 C SER A 37 32.122 13.317 -19.642 1.00 0.00 C ATOM 640 O SER A 37 31.396 12.749 -20.458 1.00 0.00 O ATOM 641 CB SER A 37 34.536 13.406 -20.294 1.00 0.00 C ATOM 642 OG SER A 37 35.458 14.087 -21.126 1.00 0.00 O ATOM 0 H SER A 37 34.456 15.404 -18.848 1.00 0.00 H new ATOM 0 HA SER A 37 32.977 14.674 -21.054 1.00 0.00 H new ATOM 0 HB2 SER A 37 34.994 13.208 -19.325 1.00 0.00 H new ATOM 0 HB3 SER A 37 34.290 12.440 -20.734 1.00 0.00 H new ATOM 0 HG SER A 37 36.267 13.544 -21.232 1.00 0.00 H new ATOM 648 N LEU A 38 31.975 13.184 -18.328 1.00 0.00 N ATOM 649 CA LEU A 38 30.927 12.345 -17.757 1.00 0.00 C ATOM 650 C LEU A 38 30.011 13.160 -16.849 1.00 0.00 C ATOM 651 O LEU A 38 28.824 12.860 -16.719 1.00 0.00 O ATOM 652 CB LEU A 38 31.546 11.188 -16.969 1.00 0.00 C ATOM 653 CG LEU A 38 32.486 10.271 -17.752 1.00 0.00 C ATOM 654 CD1 LEU A 38 33.923 10.756 -17.638 1.00 0.00 C ATOM 655 CD2 LEU A 38 32.365 8.837 -17.258 1.00 0.00 C ATOM 0 H LEU A 38 32.568 13.646 -17.639 1.00 0.00 H new ATOM 0 HA LEU A 38 30.331 11.942 -18.576 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.096 11.603 -16.124 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.739 10.582 -16.557 1.00 0.00 H new ATOM 0 HG LEU A 38 32.197 10.298 -18.803 1.00 0.00 H new ATOM 0 HD11 LEU A 38 34.577 10.091 -18.202 1.00 0.00 H new ATOM 0 HD12 LEU A 38 33.999 11.766 -18.040 1.00 0.00 H new ATOM 0 HD13 LEU A 38 34.224 10.759 -16.590 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.041 8.198 -17.826 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.627 8.793 -16.201 1.00 0.00 H new ATOM 0 HD23 LEU A 38 31.340 8.491 -17.392 1.00 0.00 H new ATOM 667 N ARG A 39 30.570 14.192 -16.226 1.00 0.00 N ATOM 668 CA ARG A 39 29.802 15.051 -15.332 1.00 0.00 C ATOM 669 C ARG A 39 28.803 15.897 -16.115 1.00 0.00 C ATOM 670 O ARG A 39 27.639 16.011 -15.733 1.00 0.00 O ATOM 671 CB ARG A 39 30.740 15.958 -14.533 1.00 0.00 C ATOM 672 CG ARG A 39 30.013 16.934 -13.622 1.00 0.00 C ATOM 673 CD ARG A 39 29.851 18.295 -14.281 1.00 0.00 C ATOM 674 NE ARG A 39 31.139 18.933 -14.543 1.00 0.00 N ATOM 675 CZ ARG A 39 31.911 19.448 -13.593 1.00 0.00 C ATOM 676 NH1 ARG A 39 31.527 19.401 -12.324 1.00 0.00 N ATOM 677 NH2 ARG A 39 33.069 20.012 -13.911 1.00 0.00 N ATOM 0 H ARG A 39 31.551 14.454 -16.323 1.00 0.00 H new ATOM 0 HA ARG A 39 29.249 14.414 -14.642 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.405 15.339 -13.931 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.367 16.519 -15.226 1.00 0.00 H new ATOM 0 HG2 ARG A 39 29.032 16.533 -13.366 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.566 17.044 -12.689 1.00 0.00 H new ATOM 0 HD2 ARG A 39 29.305 18.182 -15.218 1.00 0.00 H new ATOM 0 HD3 ARG A 39 29.251 18.940 -13.639 1.00 0.00 H new ATOM 0 HE ARG A 39 31.463 18.986 -15.509 1.00 0.00 H new ATOM 0 HH11 ARG A 39 30.637 18.969 -12.076 1.00 0.00 H new ATOM 0 HH12 ARG A 39 32.122 19.797 -11.596 1.00 0.00 H new ATOM 0 HH21 ARG A 39 33.367 20.050 -14.886 1.00 0.00 H new ATOM 0 HH22 ARG A 39 33.661 20.407 -13.181 1.00 0.00 H new ATOM 691 N GLN A 40 29.268 16.488 -17.212 1.00 0.00 N ATOM 692 CA GLN A 40 28.415 17.324 -18.047 1.00 0.00 C ATOM 693 C GLN A 40 27.218 16.534 -18.567 1.00 0.00 C ATOM 694 O GLN A 40 26.084 17.009 -18.525 1.00 0.00 O ATOM 695 CB GLN A 40 29.214 17.893 -19.221 1.00 0.00 C ATOM 696 CG GLN A 40 28.499 19.012 -19.960 1.00 0.00 C ATOM 697 CD GLN A 40 29.356 19.639 -21.042 1.00 0.00 C ATOM 698 OE1 GLN A 40 30.060 18.942 -21.773 1.00 0.00 O ATOM 699 NE2 GLN A 40 29.301 20.961 -21.149 1.00 0.00 N ATOM 0 H GLN A 40 30.229 16.403 -17.542 1.00 0.00 H new ATOM 0 HA GLN A 40 28.046 18.147 -17.435 1.00 0.00 H new ATOM 0 HB2 GLN A 40 30.170 18.265 -18.852 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.435 17.089 -19.923 1.00 0.00 H new ATOM 0 HG2 GLN A 40 27.585 18.621 -20.407 1.00 0.00 H new ATOM 0 HG3 GLN A 40 28.201 19.781 -19.247 1.00 0.00 H new ATOM 0 HE21 GLN A 40 28.703 21.499 -20.522 1.00 0.00 H new ATOM 0 HE22 GLN A 40 29.856 21.439 -21.859 1.00 0.00 H new ATOM 708 N GLU A 41 27.480 15.326 -19.057 1.00 0.00 N ATOM 709 CA GLU A 41 26.424 14.472 -19.586 1.00 0.00 C ATOM 710 C GLU A 41 25.497 13.999 -18.470 1.00 0.00 C ATOM 711 O GLU A 41 24.279 13.955 -18.638 1.00 0.00 O ATOM 712 CB GLU A 41 27.028 13.265 -20.308 1.00 0.00 C ATOM 713 CG GLU A 41 27.933 12.419 -19.429 1.00 0.00 C ATOM 714 CD GLU A 41 28.573 11.271 -20.184 1.00 0.00 C ATOM 715 OE1 GLU A 41 28.717 11.382 -21.420 1.00 0.00 O ATOM 716 OE2 GLU A 41 28.929 10.262 -19.540 1.00 0.00 O ATOM 0 H GLU A 41 28.414 14.918 -19.098 1.00 0.00 H new ATOM 0 HA GLU A 41 25.840 15.057 -20.297 1.00 0.00 H new ATOM 0 HB2 GLU A 41 26.221 12.640 -20.691 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.597 13.615 -21.170 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.714 13.050 -19.005 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.355 12.022 -18.594 1.00 0.00 H new ATOM 723 N MET A 42 26.084 13.645 -17.331 1.00 0.00 N ATOM 724 CA MET A 42 25.311 13.175 -16.187 1.00 0.00 C ATOM 725 C MET A 42 24.384 14.271 -15.671 1.00 0.00 C ATOM 726 O MET A 42 23.183 14.056 -15.507 1.00 0.00 O ATOM 727 CB MET A 42 26.246 12.713 -15.068 1.00 0.00 C ATOM 728 CG MET A 42 26.783 11.305 -15.269 1.00 0.00 C ATOM 729 SD MET A 42 26.169 10.145 -14.033 1.00 0.00 S ATOM 730 CE MET A 42 27.592 9.074 -13.836 1.00 0.00 C ATOM 0 H MET A 42 27.092 13.675 -17.176 1.00 0.00 H new ATOM 0 HA MET A 42 24.702 12.332 -16.513 1.00 0.00 H new ATOM 0 HB2 MET A 42 27.084 13.406 -14.996 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.713 12.758 -14.118 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.505 10.953 -16.262 1.00 0.00 H new ATOM 0 HG3 MET A 42 27.872 11.327 -15.232 1.00 0.00 H new ATOM 0 HE1 MET A 42 27.528 8.557 -12.879 1.00 0.00 H new ATOM 0 HE2 MET A 42 27.611 8.342 -14.643 1.00 0.00 H new ATOM 0 HE3 MET A 42 28.504 9.671 -13.866 1.00 0.00 H new ATOM 740 N VAL A 43 24.950 15.447 -15.416 1.00 0.00 N ATOM 741 CA VAL A 43 24.174 16.577 -14.919 1.00 0.00 C ATOM 742 C VAL A 43 23.149 17.036 -15.950 1.00 0.00 C ATOM 743 O VAL A 43 22.048 17.457 -15.600 1.00 0.00 O ATOM 744 CB VAL A 43 25.083 17.764 -14.550 1.00 0.00 C ATOM 745 CG1 VAL A 43 25.666 18.399 -15.804 1.00 0.00 C ATOM 746 CG2 VAL A 43 24.314 18.789 -13.731 1.00 0.00 C ATOM 0 H VAL A 43 25.943 15.642 -15.545 1.00 0.00 H new ATOM 0 HA VAL A 43 23.655 16.235 -14.023 1.00 0.00 H new ATOM 0 HB VAL A 43 25.908 17.393 -13.942 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.306 19.236 -15.524 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.254 17.659 -16.347 1.00 0.00 H new ATOM 0 HG13 VAL A 43 24.857 18.758 -16.440 1.00 0.00 H new ATOM 0 HG21 VAL A 43 24.972 19.621 -13.479 1.00 0.00 H new ATOM 0 HG22 VAL A 43 23.468 19.158 -14.311 1.00 0.00 H new ATOM 0 HG23 VAL A 43 23.950 18.324 -12.815 1.00 0.00 H new ATOM 756 N GLN A 44 23.521 16.952 -17.223 1.00 0.00 N ATOM 757 CA GLN A 44 22.634 17.360 -18.306 1.00 0.00 C ATOM 758 C GLN A 44 21.368 16.509 -18.323 1.00 0.00 C ATOM 759 O GLN A 44 20.256 17.035 -18.355 1.00 0.00 O ATOM 760 CB GLN A 44 23.354 17.250 -19.652 1.00 0.00 C ATOM 761 CG GLN A 44 23.997 18.551 -20.106 1.00 0.00 C ATOM 762 CD GLN A 44 24.308 18.562 -21.589 1.00 0.00 C ATOM 763 OE1 GLN A 44 23.518 18.083 -22.404 1.00 0.00 O ATOM 764 NE2 GLN A 44 25.462 19.110 -21.949 1.00 0.00 N ATOM 0 H GLN A 44 24.430 16.605 -17.530 1.00 0.00 H new ATOM 0 HA GLN A 44 22.350 18.399 -18.137 1.00 0.00 H new ATOM 0 HB2 GLN A 44 24.122 16.480 -19.582 1.00 0.00 H new ATOM 0 HB3 GLN A 44 22.642 16.922 -20.410 1.00 0.00 H new ATOM 0 HG2 GLN A 44 23.331 19.382 -19.872 1.00 0.00 H new ATOM 0 HG3 GLN A 44 24.917 18.712 -19.545 1.00 0.00 H new ATOM 0 HE21 GLN A 44 26.087 19.495 -21.241 1.00 0.00 H new ATOM 0 HE22 GLN A 44 25.724 19.146 -22.934 1.00 0.00 H new ATOM 773 N ARG A 45 21.546 15.192 -18.300 1.00 0.00 N ATOM 774 CA ARG A 45 20.417 14.269 -18.314 1.00 0.00 C ATOM 775 C ARG A 45 19.789 14.158 -16.928 1.00 0.00 C ATOM 776 O ARG A 45 18.681 13.643 -16.777 1.00 0.00 O ATOM 777 CB ARG A 45 20.867 12.888 -18.794 1.00 0.00 C ATOM 778 CG ARG A 45 19.715 11.951 -19.117 1.00 0.00 C ATOM 779 CD ARG A 45 20.160 10.812 -20.021 1.00 0.00 C ATOM 780 NE ARG A 45 20.309 11.241 -21.409 1.00 0.00 N ATOM 781 CZ ARG A 45 20.933 10.525 -22.337 1.00 0.00 C ATOM 782 NH1 ARG A 45 21.464 9.350 -22.027 1.00 0.00 N ATOM 783 NH2 ARG A 45 21.028 10.983 -23.579 1.00 0.00 N ATOM 0 H ARG A 45 22.460 14.740 -18.272 1.00 0.00 H new ATOM 0 HA ARG A 45 19.668 14.660 -19.003 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.488 13.006 -19.682 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.491 12.431 -18.026 1.00 0.00 H new ATOM 0 HG2 ARG A 45 19.305 11.544 -18.192 1.00 0.00 H new ATOM 0 HG3 ARG A 45 18.915 12.510 -19.602 1.00 0.00 H new ATOM 0 HD2 ARG A 45 21.108 10.413 -19.661 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.433 10.002 -19.968 1.00 0.00 H new ATOM 0 HE ARG A 45 19.912 12.140 -21.681 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.394 8.994 -21.074 1.00 0.00 H new ATOM 0 HH12 ARG A 45 21.943 8.802 -22.742 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.621 11.886 -23.822 1.00 0.00 H new ATOM 0 HH22 ARG A 45 21.508 10.432 -24.291 1.00 0.00 H new ATOM 797 N ALA A 46 20.505 14.643 -15.919 1.00 0.00 N ATOM 798 CA ALA A 46 20.017 14.600 -14.546 1.00 0.00 C ATOM 799 C ALA A 46 18.948 15.662 -14.309 1.00 0.00 C ATOM 800 O ALA A 46 17.941 15.406 -13.651 1.00 0.00 O ATOM 801 CB ALA A 46 21.170 14.782 -13.570 1.00 0.00 C ATOM 0 H ALA A 46 21.425 15.070 -16.027 1.00 0.00 H new ATOM 0 HA ALA A 46 19.564 13.623 -14.378 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.791 14.748 -12.549 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.898 13.984 -13.714 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.648 15.745 -13.747 1.00 0.00 H new ATOM 807 N ASN A 47 19.176 16.854 -14.850 1.00 0.00 N ATOM 808 CA ASN A 47 18.232 17.956 -14.696 1.00 0.00 C ATOM 809 C ASN A 47 17.710 18.418 -16.052 1.00 0.00 C ATOM 810 O ASN A 47 16.507 18.600 -16.238 1.00 0.00 O ATOM 811 CB ASN A 47 18.896 19.125 -13.966 1.00 0.00 C ATOM 812 CG ASN A 47 20.376 19.234 -14.275 1.00 0.00 C ATOM 813 OD1 ASN A 47 21.218 18.774 -13.504 1.00 0.00 O ATOM 814 ND2 ASN A 47 20.701 19.845 -15.409 1.00 0.00 N ATOM 0 H ASN A 47 20.005 17.082 -15.398 1.00 0.00 H new ATOM 0 HA ASN A 47 17.388 17.600 -14.105 1.00 0.00 H new ATOM 0 HB2 ASN A 47 18.400 20.054 -14.247 1.00 0.00 H new ATOM 0 HB3 ASN A 47 18.760 19.003 -12.891 1.00 0.00 H new ATOM 0 HD21 ASN A 47 21.682 19.948 -15.670 1.00 0.00 H new ATOM 0 HD22 ASN A 47 19.970 20.211 -16.019 1.00 0.00 H new ATOM 821 N GLY A 48 18.624 18.607 -17.000 1.00 0.00 N ATOM 822 CA GLY A 48 18.237 19.046 -18.327 1.00 0.00 C ATOM 823 C GLY A 48 19.279 19.941 -18.969 1.00 0.00 C ATOM 824 O GLY A 48 19.747 19.666 -20.074 1.00 0.00 O ATOM 0 H GLY A 48 19.626 18.464 -16.872 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.071 18.175 -18.960 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.290 19.582 -18.267 1.00 0.00 H new ATOM 828 N ARG A 49 19.641 21.015 -18.276 1.00 0.00 N ATOM 829 CA ARG A 49 20.632 21.955 -18.786 1.00 0.00 C ATOM 830 C ARG A 49 21.528 22.465 -17.661 1.00 0.00 C ATOM 831 O ARG A 49 21.101 23.264 -16.829 1.00 0.00 O ATOM 832 CB ARG A 49 19.942 23.132 -19.477 1.00 0.00 C ATOM 833 CG ARG A 49 20.880 24.282 -19.805 1.00 0.00 C ATOM 834 CD ARG A 49 20.232 25.277 -20.754 1.00 0.00 C ATOM 835 NE ARG A 49 19.987 24.697 -22.072 1.00 0.00 N ATOM 836 CZ ARG A 49 19.264 25.291 -23.014 1.00 0.00 C ATOM 837 NH1 ARG A 49 18.716 26.477 -22.785 1.00 0.00 N ATOM 838 NH2 ARG A 49 19.086 24.699 -24.188 1.00 0.00 N ATOM 0 H ARG A 49 19.263 21.256 -17.360 1.00 0.00 H new ATOM 0 HA ARG A 49 21.253 21.430 -19.512 1.00 0.00 H new ATOM 0 HB2 ARG A 49 19.477 22.780 -20.398 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.141 23.500 -18.836 1.00 0.00 H new ATOM 0 HG2 ARG A 49 21.169 24.790 -18.885 1.00 0.00 H new ATOM 0 HG3 ARG A 49 21.793 23.891 -20.254 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.289 25.622 -20.329 1.00 0.00 H new ATOM 0 HD3 ARG A 49 20.875 26.151 -20.857 1.00 0.00 H new ATOM 0 HE ARG A 49 20.394 23.785 -22.280 1.00 0.00 H new ATOM 0 HH11 ARG A 49 18.850 26.935 -21.883 1.00 0.00 H new ATOM 0 HH12 ARG A 49 18.161 26.931 -23.510 1.00 0.00 H new ATOM 0 HH21 ARG A 49 19.505 23.786 -24.368 1.00 0.00 H new ATOM 0 HH22 ARG A 49 18.530 25.156 -24.911 1.00 0.00 H new ATOM 852 N ASN A 50 22.771 21.996 -17.643 1.00 0.00 N ATOM 853 CA ASN A 50 23.727 22.404 -16.619 1.00 0.00 C ATOM 854 C ASN A 50 25.114 21.842 -16.915 1.00 0.00 C ATOM 855 O ASN A 50 25.249 20.772 -17.510 1.00 0.00 O ATOM 856 CB ASN A 50 23.258 21.937 -15.240 1.00 0.00 C ATOM 857 CG ASN A 50 23.604 22.929 -14.146 1.00 0.00 C ATOM 858 OD1 ASN A 50 23.184 24.086 -14.186 1.00 0.00 O ATOM 859 ND2 ASN A 50 24.372 22.480 -13.161 1.00 0.00 N ATOM 0 H ASN A 50 23.140 21.334 -18.325 1.00 0.00 H new ATOM 0 HA ASN A 50 23.787 23.492 -16.626 1.00 0.00 H new ATOM 0 HB2 ASN A 50 22.179 21.783 -15.259 1.00 0.00 H new ATOM 0 HB3 ASN A 50 23.714 20.974 -15.011 1.00 0.00 H new ATOM 0 HD21 ASN A 50 24.637 23.102 -12.397 1.00 0.00 H new ATOM 0 HD22 ASN A 50 24.698 21.513 -13.168 1.00 0.00 H new ATOM 866 N THR A 51 26.144 22.569 -16.494 1.00 0.00 N ATOM 867 CA THR A 51 27.520 22.144 -16.714 1.00 0.00 C ATOM 868 C THR A 51 28.450 22.720 -15.651 1.00 0.00 C ATOM 869 O THR A 51 29.439 23.380 -15.969 1.00 0.00 O ATOM 870 CB THR A 51 28.025 22.570 -18.105 1.00 0.00 C ATOM 871 OG1 THR A 51 29.397 22.192 -18.266 1.00 0.00 O ATOM 872 CG2 THR A 51 27.881 24.072 -18.297 1.00 0.00 C ATOM 0 H THR A 51 26.051 23.456 -15.998 1.00 0.00 H new ATOM 0 HA THR A 51 27.528 21.056 -16.650 1.00 0.00 H new ATOM 0 HB THR A 51 27.419 22.064 -18.857 1.00 0.00 H new ATOM 0 HG1 THR A 51 29.949 22.684 -17.623 1.00 0.00 H new ATOM 0 HG21 THR A 51 28.244 24.349 -19.287 1.00 0.00 H new ATOM 0 HG22 THR A 51 26.832 24.352 -18.204 1.00 0.00 H new ATOM 0 HG23 THR A 51 28.464 24.593 -17.538 1.00 0.00 H new ATOM 880 N PHE A 52 28.125 22.465 -14.388 1.00 0.00 N ATOM 881 CA PHE A 52 28.932 22.958 -13.277 1.00 0.00 C ATOM 882 C PHE A 52 28.824 22.029 -12.072 1.00 0.00 C ATOM 883 O PHE A 52 27.848 21.298 -11.905 1.00 0.00 O ATOM 884 CB PHE A 52 28.491 24.371 -12.887 1.00 0.00 C ATOM 885 CG PHE A 52 28.916 25.424 -13.870 1.00 0.00 C ATOM 886 CD1 PHE A 52 28.107 25.752 -14.946 1.00 0.00 C ATOM 887 CD2 PHE A 52 30.123 26.086 -13.717 1.00 0.00 C ATOM 888 CE1 PHE A 52 28.495 26.722 -15.852 1.00 0.00 C ATOM 889 CE2 PHE A 52 30.516 27.056 -14.620 1.00 0.00 C ATOM 890 CZ PHE A 52 29.701 27.374 -15.689 1.00 0.00 C ATOM 0 H PHE A 52 27.309 21.920 -14.108 1.00 0.00 H new ATOM 0 HA PHE A 52 29.973 22.985 -13.600 1.00 0.00 H new ATOM 0 HB2 PHE A 52 27.405 24.391 -12.792 1.00 0.00 H new ATOM 0 HB3 PHE A 52 28.901 24.614 -11.907 1.00 0.00 H new ATOM 0 HD1 PHE A 52 27.163 25.244 -15.079 1.00 0.00 H new ATOM 0 HD2 PHE A 52 30.764 25.842 -12.883 1.00 0.00 H new ATOM 0 HE1 PHE A 52 27.855 26.969 -16.686 1.00 0.00 H new ATOM 0 HE2 PHE A 52 31.460 27.565 -14.490 1.00 0.00 H new ATOM 0 HZ PHE A 52 30.007 28.131 -16.396 1.00 0.00 H new ATOM 900 N PRO A 53 29.853 22.055 -11.211 1.00 0.00 N ATOM 901 CA PRO A 53 29.899 21.222 -10.006 1.00 0.00 C ATOM 902 C PRO A 53 28.883 21.662 -8.958 1.00 0.00 C ATOM 903 O PRO A 53 28.609 22.853 -8.808 1.00 0.00 O ATOM 904 CB PRO A 53 31.324 21.426 -9.488 1.00 0.00 C ATOM 905 CG PRO A 53 31.733 22.757 -10.016 1.00 0.00 C ATOM 906 CD PRO A 53 31.050 22.902 -11.348 1.00 0.00 C ATOM 0 HA PRO A 53 29.654 20.182 -10.220 1.00 0.00 H new ATOM 0 HB2 PRO A 53 31.356 21.406 -8.399 1.00 0.00 H new ATOM 0 HB3 PRO A 53 31.990 20.639 -9.841 1.00 0.00 H new ATOM 0 HG2 PRO A 53 31.435 23.555 -9.336 1.00 0.00 H new ATOM 0 HG3 PRO A 53 32.816 22.818 -10.124 1.00 0.00 H new ATOM 0 HD2 PRO A 53 30.787 23.940 -11.554 1.00 0.00 H new ATOM 0 HD3 PRO A 53 31.688 22.567 -12.166 1.00 0.00 H new ATOM 914 N GLN A 54 28.328 20.695 -8.235 1.00 0.00 N ATOM 915 CA GLN A 54 27.342 20.984 -7.201 1.00 0.00 C ATOM 916 C GLN A 54 26.895 19.705 -6.501 1.00 0.00 C ATOM 917 O GLN A 54 27.321 18.607 -6.863 1.00 0.00 O ATOM 918 CB GLN A 54 26.131 21.697 -7.806 1.00 0.00 C ATOM 919 CG GLN A 54 25.703 21.134 -9.152 1.00 0.00 C ATOM 920 CD GLN A 54 25.267 19.685 -9.066 1.00 0.00 C ATOM 921 OE1 GLN A 54 24.434 19.374 -8.080 1.00 0.00 O flip ATOM 922 NE2 GLN A 54 25.676 18.853 -9.877 1.00 0.00 N flip ATOM 0 H GLN A 54 28.544 19.704 -8.346 1.00 0.00 H new ATOM 0 HA GLN A 54 27.809 21.637 -6.463 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.295 21.629 -7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.364 22.756 -7.922 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.883 21.733 -9.548 1.00 0.00 H new ATOM 0 HG3 GLN A 54 26.530 21.219 -9.857 1.00 0.00 H new ATOM 0 HE21 GLN A 54 26.316 19.136 -10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.375 17.881 -9.806 1.00 0.00 H new ATOM 931 N ILE A 55 26.037 19.854 -5.498 1.00 0.00 N ATOM 932 CA ILE A 55 25.533 18.710 -4.748 1.00 0.00 C ATOM 933 C ILE A 55 24.142 18.308 -5.226 1.00 0.00 C ATOM 934 O ILE A 55 23.168 19.030 -5.012 1.00 0.00 O ATOM 935 CB ILE A 55 25.479 19.006 -3.237 1.00 0.00 C ATOM 936 CG1 ILE A 55 26.874 19.350 -2.712 1.00 0.00 C ATOM 937 CG2 ILE A 55 24.901 17.817 -2.485 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.239 20.809 -2.876 1.00 0.00 C ATOM 0 H ILE A 55 25.676 20.755 -5.186 1.00 0.00 H new ATOM 0 HA ILE A 55 26.227 17.888 -4.924 1.00 0.00 H new ATOM 0 HB ILE A 55 24.829 19.865 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 55 26.931 19.086 -1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 55 27.611 18.739 -3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 55 24.869 18.041 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 55 23.892 17.615 -2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.527 16.941 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.241 20.980 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.215 21.074 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.525 21.426 -2.331 1.00 0.00 H new ATOM 950 N PHE A 56 24.056 17.151 -5.874 1.00 0.00 N ATOM 951 CA PHE A 56 22.784 16.652 -6.383 1.00 0.00 C ATOM 952 C PHE A 56 22.143 15.685 -5.391 1.00 0.00 C ATOM 953 O PHE A 56 22.822 14.842 -4.805 1.00 0.00 O ATOM 954 CB PHE A 56 22.987 15.958 -7.731 1.00 0.00 C ATOM 955 CG PHE A 56 22.154 16.541 -8.837 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.793 16.292 -8.903 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.733 17.339 -9.811 1.00 0.00 C ATOM 958 CE1 PHE A 56 20.025 16.827 -9.920 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.970 17.877 -10.830 1.00 0.00 C ATOM 960 CZ PHE A 56 20.614 17.621 -10.884 1.00 0.00 C ATOM 0 H PHE A 56 24.852 16.541 -6.059 1.00 0.00 H new ATOM 0 HA PHE A 56 22.116 17.503 -6.517 1.00 0.00 H new ATOM 0 HB2 PHE A 56 24.039 16.021 -8.008 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.747 14.900 -7.626 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.327 15.673 -8.151 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.793 17.543 -9.773 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.965 16.624 -9.961 1.00 0.00 H new ATOM 0 HE2 PHE A 56 22.434 18.497 -11.583 1.00 0.00 H new ATOM 0 HZ PHE A 56 20.015 18.041 -11.679 1.00 0.00 H new ATOM 970 N ILE A 57 20.834 15.816 -5.210 1.00 0.00 N ATOM 971 CA ILE A 57 20.101 14.954 -4.290 1.00 0.00 C ATOM 972 C ILE A 57 18.688 14.686 -4.796 1.00 0.00 C ATOM 973 O ILE A 57 17.886 15.607 -4.947 1.00 0.00 O ATOM 974 CB ILE A 57 20.022 15.572 -2.882 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.759 17.077 -2.975 1.00 0.00 C ATOM 976 CG2 ILE A 57 21.305 15.300 -2.111 1.00 0.00 C ATOM 977 CD1 ILE A 57 21.021 17.904 -3.090 1.00 0.00 C ATOM 0 H ILE A 57 20.259 16.510 -5.687 1.00 0.00 H new ATOM 0 HA ILE A 57 20.649 14.013 -4.234 1.00 0.00 H new ATOM 0 HB ILE A 57 19.194 15.110 -2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.125 17.274 -3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.204 17.396 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 57 21.234 15.743 -1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 57 21.453 14.224 -2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 57 22.149 15.738 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.759 18.960 -3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 57 21.647 17.736 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 57 21.567 17.612 -3.987 1.00 0.00 H new ATOM 989 N GLY A 58 18.388 13.417 -5.054 1.00 0.00 N ATOM 990 CA GLY A 58 17.070 13.049 -5.538 1.00 0.00 C ATOM 991 C GLY A 58 16.605 13.932 -6.679 1.00 0.00 C ATOM 992 O GLY A 58 15.457 14.376 -6.701 1.00 0.00 O ATOM 0 H GLY A 58 19.034 12.637 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.085 12.010 -5.869 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.354 13.113 -4.718 1.00 0.00 H new ATOM 996 N ASP A 59 17.498 14.189 -7.629 1.00 0.00 N ATOM 997 CA ASP A 59 17.173 15.026 -8.778 1.00 0.00 C ATOM 998 C ASP A 59 17.052 16.490 -8.367 1.00 0.00 C ATOM 999 O ASP A 59 16.294 17.253 -8.967 1.00 0.00 O ATOM 1000 CB ASP A 59 15.869 14.556 -9.426 1.00 0.00 C ATOM 1001 CG ASP A 59 15.832 14.830 -10.916 1.00 0.00 C ATOM 1002 OD1 ASP A 59 15.686 16.010 -11.298 1.00 0.00 O ATOM 1003 OD2 ASP A 59 15.947 13.865 -11.701 1.00 0.00 O ATOM 0 H ASP A 59 18.453 13.830 -7.626 1.00 0.00 H new ATOM 0 HA ASP A 59 17.983 14.936 -9.502 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.745 13.487 -9.253 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.027 15.056 -8.946 1.00 0.00 H new ATOM 1008 N TYR A 60 17.803 16.875 -7.342 1.00 0.00 N ATOM 1009 CA TYR A 60 17.778 18.247 -6.849 1.00 0.00 C ATOM 1010 C TYR A 60 19.193 18.775 -6.633 1.00 0.00 C ATOM 1011 O TYR A 60 19.904 18.329 -5.732 1.00 0.00 O ATOM 1012 CB TYR A 60 16.987 18.327 -5.542 1.00 0.00 C ATOM 1013 CG TYR A 60 16.874 19.729 -4.987 1.00 0.00 C ATOM 1014 CD1 TYR A 60 15.935 20.622 -5.488 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.706 20.161 -3.961 1.00 0.00 C ATOM 1016 CE1 TYR A 60 15.828 21.904 -4.985 1.00 0.00 C ATOM 1017 CE2 TYR A 60 17.605 21.440 -3.451 1.00 0.00 C ATOM 1018 CZ TYR A 60 16.666 22.308 -3.966 1.00 0.00 C ATOM 1019 OH TYR A 60 16.562 23.584 -3.462 1.00 0.00 O ATOM 0 H TYR A 60 18.437 16.256 -6.836 1.00 0.00 H new ATOM 0 HA TYR A 60 17.289 18.867 -7.601 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.986 17.929 -5.708 1.00 0.00 H new ATOM 0 HB3 TYR A 60 17.464 17.688 -4.799 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.277 20.308 -6.285 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.444 19.485 -3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.093 22.586 -5.387 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.258 21.759 -2.652 1.00 0.00 H new ATOM 0 HH TYR A 60 17.223 23.709 -2.749 1.00 0.00 H new ATOM 1029 N HIS A 61 19.595 19.729 -7.467 1.00 0.00 N ATOM 1030 CA HIS A 61 20.925 20.320 -7.369 1.00 0.00 C ATOM 1031 C HIS A 61 20.939 21.458 -6.353 1.00 0.00 C ATOM 1032 O HIS A 61 20.088 22.347 -6.390 1.00 0.00 O ATOM 1033 CB HIS A 61 21.380 20.834 -8.735 1.00 0.00 C ATOM 1034 CG HIS A 61 20.351 21.667 -9.435 1.00 0.00 C ATOM 1035 ND1 HIS A 61 19.366 21.130 -10.236 1.00 0.00 N ATOM 1036 CD2 HIS A 61 20.157 23.007 -9.449 1.00 0.00 C ATOM 1037 CE1 HIS A 61 18.611 22.104 -10.714 1.00 0.00 C ATOM 1038 NE2 HIS A 61 19.070 23.252 -10.251 1.00 0.00 N ATOM 0 H HIS A 61 19.019 20.109 -8.218 1.00 0.00 H new ATOM 0 HA HIS A 61 21.616 19.547 -7.032 1.00 0.00 H new ATOM 0 HB2 HIS A 61 22.288 21.424 -8.608 1.00 0.00 H new ATOM 0 HB3 HIS A 61 21.638 19.984 -9.366 1.00 0.00 H new ATOM 0 HD2 HIS A 61 20.747 23.745 -8.927 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.763 21.982 -11.371 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.680 24.172 -10.456 1.00 0.00 H new ATOM 1046 N VAL A 62 21.911 21.425 -5.447 1.00 0.00 N ATOM 1047 CA VAL A 62 22.037 22.454 -4.422 1.00 0.00 C ATOM 1048 C VAL A 62 23.077 23.497 -4.815 1.00 0.00 C ATOM 1049 O VAL A 62 22.736 24.622 -5.178 1.00 0.00 O ATOM 1050 CB VAL A 62 22.425 21.845 -3.061 1.00 0.00 C ATOM 1051 CG1 VAL A 62 22.849 22.936 -2.090 1.00 0.00 C ATOM 1052 CG2 VAL A 62 21.271 21.033 -2.493 1.00 0.00 C ATOM 0 H VAL A 62 22.623 20.696 -5.402 1.00 0.00 H new ATOM 0 HA VAL A 62 21.062 22.933 -4.333 1.00 0.00 H new ATOM 0 HB VAL A 62 23.272 21.175 -3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 62 23.119 22.487 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.708 23.471 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 62 22.024 23.633 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 62 21.562 20.610 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 62 20.404 21.679 -2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.019 20.227 -3.182 1.00 0.00 H new ATOM 1062 N GLY A 63 24.348 23.115 -4.740 1.00 0.00 N ATOM 1063 CA GLY A 63 25.419 24.030 -5.091 1.00 0.00 C ATOM 1064 C GLY A 63 26.618 23.899 -4.173 1.00 0.00 C ATOM 1065 O GLY A 63 27.578 23.198 -4.489 1.00 0.00 O ATOM 0 H GLY A 63 24.655 22.189 -4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 63 25.730 23.843 -6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 63 25.046 25.053 -5.052 1.00 0.00 H new ATOM 1069 N GLY A 64 26.563 24.578 -3.031 1.00 0.00 N ATOM 1070 CA GLY A 64 27.660 24.522 -2.082 1.00 0.00 C ATOM 1071 C GLY A 64 27.545 23.347 -1.131 1.00 0.00 C ATOM 1072 O GLY A 64 26.445 22.864 -0.860 1.00 0.00 O ATOM 0 H GLY A 64 25.779 25.165 -2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 64 28.603 24.455 -2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 64 27.688 25.448 -1.508 1.00 0.00 H new ATOM 1076 N CYS A 65 28.683 22.884 -0.625 1.00 0.00 N ATOM 1077 CA CYS A 65 28.706 21.756 0.299 1.00 0.00 C ATOM 1078 C CYS A 65 28.125 22.150 1.653 1.00 0.00 C ATOM 1079 O CYS A 65 27.473 21.345 2.318 1.00 0.00 O ATOM 1080 CB CYS A 65 30.135 21.242 0.474 1.00 0.00 C ATOM 1081 SG CYS A 65 31.304 22.494 1.055 1.00 0.00 S ATOM 0 H CYS A 65 29.601 23.272 -0.839 1.00 0.00 H new ATOM 0 HA CYS A 65 28.091 20.961 -0.122 1.00 0.00 H new ATOM 0 HB2 CYS A 65 30.127 20.412 1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 65 30.487 20.846 -0.479 1.00 0.00 H new ATOM 0 HG CYS A 65 32.125 21.958 1.909 1.00 0.00 H new ATOM 1087 N ASP A 66 28.367 23.392 2.056 1.00 0.00 N ATOM 1088 CA ASP A 66 27.869 23.894 3.331 1.00 0.00 C ATOM 1089 C ASP A 66 26.364 24.141 3.267 1.00 0.00 C ATOM 1090 O ASP A 66 25.674 24.095 4.286 1.00 0.00 O ATOM 1091 CB ASP A 66 28.594 25.184 3.715 1.00 0.00 C ATOM 1092 CG ASP A 66 28.121 26.377 2.907 1.00 0.00 C ATOM 1093 OD1 ASP A 66 27.114 27.000 3.304 1.00 0.00 O ATOM 1094 OD2 ASP A 66 28.756 26.686 1.876 1.00 0.00 O ATOM 0 H ASP A 66 28.906 24.071 1.518 1.00 0.00 H new ATOM 0 HA ASP A 66 28.064 23.138 4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.439 25.383 4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 66 29.666 25.052 3.569 1.00 0.00 H new ATOM 1099 N ASP A 67 25.864 24.403 2.065 1.00 0.00 N ATOM 1100 CA ASP A 67 24.441 24.657 1.869 1.00 0.00 C ATOM 1101 C ASP A 67 23.600 23.535 2.470 1.00 0.00 C ATOM 1102 O ASP A 67 22.706 23.781 3.280 1.00 0.00 O ATOM 1103 CB ASP A 67 24.129 24.803 0.378 1.00 0.00 C ATOM 1104 CG ASP A 67 22.720 25.306 0.129 1.00 0.00 C ATOM 1105 OD1 ASP A 67 21.900 25.266 1.070 1.00 0.00 O ATOM 1106 OD2 ASP A 67 22.439 25.740 -1.007 1.00 0.00 O ATOM 0 H ASP A 67 26.422 24.445 1.212 1.00 0.00 H new ATOM 0 HA ASP A 67 24.189 25.587 2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 67 24.843 25.491 -0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 67 24.260 23.839 -0.114 1.00 0.00 H new ATOM 1111 N LEU A 68 23.892 22.303 2.067 1.00 0.00 N ATOM 1112 CA LEU A 68 23.162 21.142 2.565 1.00 0.00 C ATOM 1113 C LEU A 68 23.148 21.122 4.090 1.00 0.00 C ATOM 1114 O LEU A 68 22.146 20.758 4.706 1.00 0.00 O ATOM 1115 CB LEU A 68 23.790 19.853 2.032 1.00 0.00 C ATOM 1116 CG LEU A 68 25.072 19.394 2.727 1.00 0.00 C ATOM 1117 CD1 LEU A 68 24.745 18.501 3.914 1.00 0.00 C ATOM 1118 CD2 LEU A 68 25.981 18.668 1.746 1.00 0.00 C ATOM 0 H LEU A 68 24.629 22.082 1.397 1.00 0.00 H new ATOM 0 HA LEU A 68 22.133 21.210 2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.052 19.054 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.004 19.988 0.972 1.00 0.00 H new ATOM 0 HG LEU A 68 25.598 20.275 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.670 18.184 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.134 19.054 4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.196 17.624 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 68 26.888 18.349 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.463 17.795 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.243 19.339 0.928 1.00 0.00 H new ATOM 1130 N TYR A 69 24.264 21.516 4.692 1.00 0.00 N ATOM 1131 CA TYR A 69 24.380 21.543 6.146 1.00 0.00 C ATOM 1132 C TYR A 69 23.495 22.633 6.743 1.00 0.00 C ATOM 1133 O TYR A 69 22.691 22.374 7.638 1.00 0.00 O ATOM 1134 CB TYR A 69 25.835 21.769 6.558 1.00 0.00 C ATOM 1135 CG TYR A 69 26.429 20.619 7.338 1.00 0.00 C ATOM 1136 CD1 TYR A 69 26.879 19.474 6.692 1.00 0.00 C ATOM 1137 CD2 TYR A 69 26.542 20.677 8.722 1.00 0.00 C ATOM 1138 CE1 TYR A 69 27.422 18.420 7.402 1.00 0.00 C ATOM 1139 CE2 TYR A 69 27.085 19.629 9.440 1.00 0.00 C ATOM 1140 CZ TYR A 69 27.523 18.502 8.775 1.00 0.00 C ATOM 1141 OH TYR A 69 28.064 17.455 9.485 1.00 0.00 O ATOM 0 H TYR A 69 25.102 21.821 4.196 1.00 0.00 H new ATOM 0 HA TYR A 69 24.046 20.579 6.530 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.435 21.939 5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 69 25.897 22.676 7.160 1.00 0.00 H new ATOM 0 HD1 TYR A 69 26.803 19.407 5.617 1.00 0.00 H new ATOM 0 HD2 TYR A 69 26.199 21.557 9.246 1.00 0.00 H new ATOM 0 HE1 TYR A 69 27.766 17.537 6.884 1.00 0.00 H new ATOM 0 HE2 TYR A 69 27.166 19.691 10.515 1.00 0.00 H new ATOM 0 HH TYR A 69 28.063 17.673 10.440 1.00 0.00 H new ATOM 1151 N ALA A 70 23.649 23.853 6.239 1.00 0.00 N ATOM 1152 CA ALA A 70 22.863 24.983 6.720 1.00 0.00 C ATOM 1153 C ALA A 70 21.369 24.683 6.647 1.00 0.00 C ATOM 1154 O ALA A 70 20.635 24.900 7.611 1.00 0.00 O ATOM 1155 CB ALA A 70 23.192 26.233 5.918 1.00 0.00 C ATOM 0 H ALA A 70 24.311 24.084 5.498 1.00 0.00 H new ATOM 0 HA ALA A 70 23.122 25.156 7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 70 22.598 27.069 6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.252 26.465 6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 70 22.962 26.062 4.866 1.00 0.00 H new ATOM 1161 N LEU A 71 20.926 24.184 5.498 1.00 0.00 N ATOM 1162 CA LEU A 71 19.519 23.855 5.299 1.00 0.00 C ATOM 1163 C LEU A 71 19.067 22.779 6.281 1.00 0.00 C ATOM 1164 O LEU A 71 18.032 22.915 6.932 1.00 0.00 O ATOM 1165 CB LEU A 71 19.283 23.383 3.863 1.00 0.00 C ATOM 1166 CG LEU A 71 19.525 24.422 2.767 1.00 0.00 C ATOM 1167 CD1 LEU A 71 19.432 23.778 1.392 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.531 25.568 2.890 1.00 0.00 C ATOM 0 H LEU A 71 21.521 23.998 4.690 1.00 0.00 H new ATOM 0 HA LEU A 71 18.932 24.755 5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.929 22.526 3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.255 23.031 3.782 1.00 0.00 H new ATOM 0 HG LEU A 71 20.530 24.825 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 71 19.607 24.532 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.183 22.992 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.440 23.347 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 71 18.718 26.298 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.516 25.182 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.646 26.046 3.863 1.00 0.00 H new ATOM 1180 N GLU A 72 19.852 21.711 6.383 1.00 0.00 N ATOM 1181 CA GLU A 72 19.533 20.612 7.287 1.00 0.00 C ATOM 1182 C GLU A 72 19.368 21.116 8.718 1.00 0.00 C ATOM 1183 O GLU A 72 18.535 20.615 9.471 1.00 0.00 O ATOM 1184 CB GLU A 72 20.627 19.544 7.233 1.00 0.00 C ATOM 1185 CG GLU A 72 20.442 18.432 8.252 1.00 0.00 C ATOM 1186 CD GLU A 72 21.622 17.481 8.298 1.00 0.00 C ATOM 1187 OE1 GLU A 72 22.730 17.925 8.666 1.00 0.00 O ATOM 1188 OE2 GLU A 72 21.437 16.291 7.966 1.00 0.00 O ATOM 0 H GLU A 72 20.713 21.583 5.851 1.00 0.00 H new ATOM 0 HA GLU A 72 18.590 20.171 6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.650 19.110 6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.595 20.018 7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.294 18.870 9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.538 17.872 8.013 1.00 0.00 H new ATOM 1195 N ASN A 73 20.171 22.110 9.085 1.00 0.00 N ATOM 1196 CA ASN A 73 20.115 22.681 10.426 1.00 0.00 C ATOM 1197 C ASN A 73 19.039 23.759 10.514 1.00 0.00 C ATOM 1198 O ASN A 73 18.582 24.109 11.603 1.00 0.00 O ATOM 1199 CB ASN A 73 21.475 23.271 10.808 1.00 0.00 C ATOM 1200 CG ASN A 73 21.591 23.538 12.296 1.00 0.00 C ATOM 1201 OD1 ASN A 73 21.193 24.597 12.781 1.00 0.00 O ATOM 1202 ND2 ASN A 73 22.139 22.575 13.029 1.00 0.00 N ATOM 0 H ASN A 73 20.867 22.536 8.473 1.00 0.00 H new ATOM 0 HA ASN A 73 19.863 21.883 11.124 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.265 22.585 10.502 1.00 0.00 H new ATOM 0 HB3 ASN A 73 21.631 24.201 10.261 1.00 0.00 H new ATOM 0 HD21 ASN A 73 22.244 22.698 14.036 1.00 0.00 H new ATOM 0 HD22 ASN A 73 22.455 21.713 12.585 1.00 0.00 H new ATOM 1209 N LYS A 74 18.636 24.281 9.361 1.00 0.00 N ATOM 1210 CA LYS A 74 17.612 25.317 9.305 1.00 0.00 C ATOM 1211 C LYS A 74 16.216 24.708 9.396 1.00 0.00 C ATOM 1212 O LYS A 74 15.257 25.382 9.767 1.00 0.00 O ATOM 1213 CB LYS A 74 17.744 26.125 8.013 1.00 0.00 C ATOM 1214 CG LYS A 74 18.173 27.565 8.237 1.00 0.00 C ATOM 1215 CD LYS A 74 19.361 27.935 7.365 1.00 0.00 C ATOM 1216 CE LYS A 74 18.916 28.578 6.060 1.00 0.00 C ATOM 1217 NZ LYS A 74 18.084 27.653 5.242 1.00 0.00 N ATOM 0 H LYS A 74 19.004 24.003 8.451 1.00 0.00 H new ATOM 0 HA LYS A 74 17.756 25.981 10.157 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.468 25.636 7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.788 26.117 7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.339 28.232 8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.431 27.710 9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.012 28.622 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.948 27.042 7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.348 29.483 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.792 28.881 5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.243 27.845 4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 18.348 26.670 5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.079 27.798 5.468 1.00 0.00 H new ATOM 1231 N GLY A 75 16.111 23.427 9.054 1.00 0.00 N ATOM 1232 CA GLY A 75 14.829 22.748 9.106 1.00 0.00 C ATOM 1233 C GLY A 75 14.565 21.915 7.867 1.00 0.00 C ATOM 1234 O GLY A 75 13.539 21.241 7.770 1.00 0.00 O ATOM 0 H GLY A 75 16.890 22.848 8.742 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.797 22.106 9.986 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.035 23.486 9.221 1.00 0.00 H new ATOM 1238 N LYS A 76 15.491 21.962 6.916 1.00 0.00 N ATOM 1239 CA LYS A 76 15.354 21.207 5.676 1.00 0.00 C ATOM 1240 C LYS A 76 15.966 19.817 5.815 1.00 0.00 C ATOM 1241 O LYS A 76 16.167 19.113 4.824 1.00 0.00 O ATOM 1242 CB LYS A 76 16.022 21.956 4.521 1.00 0.00 C ATOM 1243 CG LYS A 76 15.037 22.508 3.504 1.00 0.00 C ATOM 1244 CD LYS A 76 14.148 23.579 4.113 1.00 0.00 C ATOM 1245 CE LYS A 76 13.726 24.608 3.075 1.00 0.00 C ATOM 1246 NZ LYS A 76 12.815 25.636 3.652 1.00 0.00 N ATOM 0 H LYS A 76 16.345 22.515 6.980 1.00 0.00 H new ATOM 0 HA LYS A 76 14.291 21.098 5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.613 22.778 4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.715 21.284 4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.582 22.925 2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.419 21.697 3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.263 23.115 4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.679 24.076 4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.611 25.095 2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.228 24.105 2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.550 26.319 2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.959 25.174 4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.299 26.134 4.426 1.00 0.00 H new ATOM 1260 N LEU A 77 16.260 19.426 7.050 1.00 0.00 N ATOM 1261 CA LEU A 77 16.848 18.118 7.320 1.00 0.00 C ATOM 1262 C LEU A 77 15.960 17.000 6.783 1.00 0.00 C ATOM 1263 O LEU A 77 16.449 16.022 6.219 1.00 0.00 O ATOM 1264 CB LEU A 77 17.067 17.935 8.822 1.00 0.00 C ATOM 1265 CG LEU A 77 17.167 16.491 9.315 1.00 0.00 C ATOM 1266 CD1 LEU A 77 18.291 16.350 10.329 1.00 0.00 C ATOM 1267 CD2 LEU A 77 15.844 16.039 9.916 1.00 0.00 C ATOM 0 H LEU A 77 16.101 19.996 7.881 1.00 0.00 H new ATOM 0 HA LEU A 77 17.810 18.068 6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 77 17.982 18.457 9.102 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.247 18.422 9.350 1.00 0.00 H new ATOM 0 HG LEU A 77 17.393 15.851 8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.347 15.316 10.669 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.237 16.631 9.866 1.00 0.00 H new ATOM 0 HD13 LEU A 77 18.096 17.002 11.181 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.934 15.009 10.261 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.588 16.683 10.757 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.061 16.101 9.160 1.00 0.00 H new ATOM 1279 N ASP A 78 14.652 17.154 6.962 1.00 0.00 N ATOM 1280 CA ASP A 78 13.695 16.159 6.493 1.00 0.00 C ATOM 1281 C ASP A 78 13.902 15.861 5.012 1.00 0.00 C ATOM 1282 O ASP A 78 13.944 14.700 4.602 1.00 0.00 O ATOM 1283 CB ASP A 78 12.264 16.645 6.733 1.00 0.00 C ATOM 1284 CG ASP A 78 11.274 15.501 6.838 1.00 0.00 C ATOM 1285 OD1 ASP A 78 11.672 14.347 6.577 1.00 0.00 O ATOM 1286 OD2 ASP A 78 10.101 15.761 7.180 1.00 0.00 O ATOM 0 H ASP A 78 14.231 17.958 7.428 1.00 0.00 H new ATOM 0 HA ASP A 78 13.858 15.240 7.056 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.232 17.234 7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.966 17.306 5.919 1.00 0.00 H new ATOM 1291 N SER A 79 14.032 16.915 4.213 1.00 0.00 N ATOM 1292 CA SER A 79 14.230 16.766 2.776 1.00 0.00 C ATOM 1293 C SER A 79 15.593 16.148 2.477 1.00 0.00 C ATOM 1294 O SER A 79 15.697 15.180 1.723 1.00 0.00 O ATOM 1295 CB SER A 79 14.109 18.123 2.080 1.00 0.00 C ATOM 1296 OG SER A 79 14.410 18.016 0.699 1.00 0.00 O ATOM 0 H SER A 79 14.004 17.882 4.537 1.00 0.00 H new ATOM 0 HA SER A 79 13.456 16.100 2.394 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.098 18.511 2.206 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.786 18.837 2.549 1.00 0.00 H new ATOM 0 HG SER A 79 14.324 18.896 0.276 1.00 0.00 H new ATOM 1302 N LEU A 80 16.636 16.714 3.075 1.00 0.00 N ATOM 1303 CA LEU A 80 17.993 16.220 2.874 1.00 0.00 C ATOM 1304 C LEU A 80 18.084 14.731 3.194 1.00 0.00 C ATOM 1305 O LEU A 80 18.563 13.939 2.382 1.00 0.00 O ATOM 1306 CB LEU A 80 18.976 17.002 3.747 1.00 0.00 C ATOM 1307 CG LEU A 80 19.619 18.229 3.100 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.588 17.809 2.006 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.552 19.159 2.542 1.00 0.00 C ATOM 0 H LEU A 80 16.567 17.515 3.703 1.00 0.00 H new ATOM 0 HA LEU A 80 18.254 16.364 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.454 17.323 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.770 16.324 4.062 1.00 0.00 H new ATOM 0 HG LEU A 80 20.178 18.768 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.036 18.695 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.371 17.184 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.052 17.246 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.028 20.027 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 80 17.965 18.630 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.897 19.487 3.349 1.00 0.00 H new ATOM 1321 N LEU A 81 17.619 14.357 4.381 1.00 0.00 N ATOM 1322 CA LEU A 81 17.645 12.963 4.808 1.00 0.00 C ATOM 1323 C LEU A 81 16.811 12.092 3.874 1.00 0.00 C ATOM 1324 O LEU A 81 17.237 11.008 3.476 1.00 0.00 O ATOM 1325 CB LEU A 81 17.125 12.838 6.241 1.00 0.00 C ATOM 1326 CG LEU A 81 18.162 12.467 7.301 1.00 0.00 C ATOM 1327 CD1 LEU A 81 18.768 13.719 7.916 1.00 0.00 C ATOM 1328 CD2 LEU A 81 17.535 11.593 8.378 1.00 0.00 C ATOM 0 H LEU A 81 17.219 15.000 5.065 1.00 0.00 H new ATOM 0 HA LEU A 81 18.678 12.617 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.668 13.786 6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.335 12.087 6.255 1.00 0.00 H new ATOM 0 HG LEU A 81 18.959 11.901 6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.504 13.435 8.668 1.00 0.00 H new ATOM 0 HD12 LEU A 81 19.253 14.308 7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.982 14.312 8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 81 18.288 11.339 9.124 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.719 12.134 8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 81 17.149 10.679 7.926 1.00 0.00 H new ATOM 1340 N GLN A 82 15.622 12.574 3.528 1.00 0.00 N ATOM 1341 CA GLN A 82 14.729 11.840 2.639 1.00 0.00 C ATOM 1342 C GLN A 82 15.393 11.583 1.291 1.00 0.00 C ATOM 1343 O GLN A 82 15.128 10.571 0.640 1.00 0.00 O ATOM 1344 CB GLN A 82 13.424 12.613 2.439 1.00 0.00 C ATOM 1345 CG GLN A 82 12.520 12.015 1.374 1.00 0.00 C ATOM 1346 CD GLN A 82 12.785 12.586 -0.005 1.00 0.00 C ATOM 1347 OE1 GLN A 82 13.037 11.847 -0.957 1.00 0.00 O ATOM 1348 NE2 GLN A 82 12.730 13.908 -0.119 1.00 0.00 N ATOM 0 H GLN A 82 15.255 13.470 3.850 1.00 0.00 H new ATOM 0 HA GLN A 82 14.506 10.879 3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.883 12.648 3.385 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.659 13.642 2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.661 10.934 1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.479 12.195 1.644 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.518 14.482 0.697 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.900 14.349 -1.023 1.00 0.00 H new ATOM 1357 N ASP A 83 16.256 12.504 0.877 1.00 0.00 N ATOM 1358 CA ASP A 83 16.959 12.376 -0.394 1.00 0.00 C ATOM 1359 C ASP A 83 18.091 11.358 -0.290 1.00 0.00 C ATOM 1360 O ASP A 83 18.104 10.354 -1.002 1.00 0.00 O ATOM 1361 CB ASP A 83 17.515 13.732 -0.832 1.00 0.00 C ATOM 1362 CG ASP A 83 16.432 14.783 -0.976 1.00 0.00 C ATOM 1363 OD1 ASP A 83 15.345 14.448 -1.490 1.00 0.00 O ATOM 1364 OD2 ASP A 83 16.672 15.941 -0.574 1.00 0.00 O ATOM 0 H ASP A 83 16.486 13.347 1.403 1.00 0.00 H new ATOM 0 HA ASP A 83 16.247 12.025 -1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 83 18.252 14.071 -0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.035 13.618 -1.783 1.00 0.00 H new ATOM 1369 N VAL A 84 19.040 11.626 0.601 1.00 0.00 N ATOM 1370 CA VAL A 84 20.176 10.733 0.799 1.00 0.00 C ATOM 1371 C VAL A 84 19.713 9.307 1.075 1.00 0.00 C ATOM 1372 O VAL A 84 20.366 8.342 0.675 1.00 0.00 O ATOM 1373 CB VAL A 84 21.066 11.207 1.963 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.663 12.573 1.658 1.00 0.00 C ATOM 1375 CG2 VAL A 84 20.273 11.241 3.260 1.00 0.00 C ATOM 0 H VAL A 84 19.045 12.454 1.197 1.00 0.00 H new ATOM 0 HA VAL A 84 20.757 10.751 -0.123 1.00 0.00 H new ATOM 0 HB VAL A 84 21.885 10.498 2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.289 12.891 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.268 12.512 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.861 13.296 1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.918 11.578 4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.433 11.927 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.899 10.242 3.484 1.00 0.00 H new ATOM 1385 N HIS A 85 18.582 9.181 1.762 1.00 0.00 N ATOM 1386 CA HIS A 85 18.030 7.872 2.092 1.00 0.00 C ATOM 1387 C HIS A 85 17.909 7.003 0.843 1.00 0.00 C ATOM 1388 O HIS A 85 18.659 6.043 0.668 1.00 0.00 O ATOM 1389 CB HIS A 85 16.662 8.024 2.756 1.00 0.00 C ATOM 1390 CG HIS A 85 16.127 6.747 3.328 1.00 0.00 C ATOM 1391 ND1 HIS A 85 14.781 6.502 3.494 1.00 0.00 N ATOM 1392 CD2 HIS A 85 16.767 5.640 3.771 1.00 0.00 C ATOM 1393 CE1 HIS A 85 14.615 5.300 4.016 1.00 0.00 C ATOM 1394 NE2 HIS A 85 15.805 4.755 4.194 1.00 0.00 N ATOM 0 H HIS A 85 18.030 9.969 2.101 1.00 0.00 H new ATOM 0 HA HIS A 85 18.711 7.383 2.789 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.734 8.766 3.551 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.953 8.409 2.023 1.00 0.00 H new ATOM 0 HD2 HIS A 85 17.835 5.482 3.789 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.667 4.841 4.256 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.981 3.828 4.582 1.00 0.00 H new