USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 667 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 59 SER OG : rot -120:sc= 0.342 USER MOD Set 1.2: A 74 CYS SG : rot -142:sc= 0.37 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 145:sc= 0.0564 (180deg=-2.2!) USER MOD Set 2.2: A 56 SER OG : rot 153:sc= 0.557 USER MOD Set 3.1: A 38 HIS : no HE2:sc= -2.15! C(o=-2.5!,f=-4.8!) USER MOD Set 3.2: A 54 MET CE :methyl -139:sc= -0.331 (180deg=-0.656) USER MOD Set 4.1: A 26 SER OG : rot 180:sc= 0.709 USER MOD Set 4.2: A 27 SER OG : rot -65:sc= 0.684 USER MOD Set 5.1: A 11 THR OG1 : rot 180:sc= 0.124 USER MOD Set 5.2: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= -1.66! (180deg=-1.8!) USER MOD Single : A 5 MET CE :methyl 156:sc= 0 (180deg=-0.7) USER MOD Single : A 6 SER OG : rot 48:sc= 0.0977 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.129 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.922 K(o=0.92,f=-0.27) USER MOD Single : A 21 GLN : amide:sc= -0.143 K(o=-0.14,f=-1) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 34 CYS SG : rot -160:sc= -0.106 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.653 K(o=-0.65,f=-2.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00149 USER MOD Single : A 63 SER OG : rot -89:sc= 1.29 USER MOD Single : A 64 MET CE :methyl -171:sc= -0.1 (180deg=-0.322) USER MOD Single : A 65 GLN : amide:sc= -2.77! C(o=-2.8!,f=-3!) USER MOD Single : A 71 ASN : amide:sc= -0.015 K(o=-0.015,f=-2.1) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0446 K(o=-0.045,f=-0.97) USER MOD Single : A 83 THR OG1 : rot -3:sc= 0.399 USER MOD Single : A 85 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -16.298 -1.515 4.388 1.00 0.00 N ATOM 38 CA LYS A 4 -16.434 -0.078 4.683 1.00 0.00 C ATOM 39 C LYS A 4 -16.692 0.770 3.436 1.00 0.00 C ATOM 40 O LYS A 4 -17.260 1.857 3.540 1.00 0.00 O ATOM 41 CB LYS A 4 -15.211 0.466 5.447 1.00 0.00 C ATOM 42 CG LYS A 4 -13.900 0.438 4.639 1.00 0.00 C ATOM 43 CD LYS A 4 -12.852 1.457 5.090 1.00 0.00 C ATOM 44 CE LYS A 4 -13.014 2.808 4.359 1.00 0.00 C ATOM 45 NZ LYS A 4 -12.868 2.759 2.897 1.00 0.00 N ATOM 0 HA LYS A 4 -17.314 0.006 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.415 1.492 5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.076 -0.118 6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.469 -0.561 4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.132 0.616 3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.936 1.613 6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.854 1.060 4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.998 3.213 4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.278 3.507 4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.143 3.676 2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.878 2.555 2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.480 2.012 2.512 1.00 0.00 H new ATOM 59 N MET A 5 -16.224 0.314 2.272 1.00 0.00 N ATOM 60 CA MET A 5 -16.351 1.002 1.005 1.00 0.00 C ATOM 61 C MET A 5 -16.882 0.003 -0.009 1.00 0.00 C ATOM 62 O MET A 5 -16.126 -0.563 -0.806 1.00 0.00 O ATOM 63 CB MET A 5 -15.040 1.700 0.616 1.00 0.00 C ATOM 64 CG MET A 5 -15.168 3.220 0.808 1.00 0.00 C ATOM 65 SD MET A 5 -16.455 3.987 -0.214 1.00 0.00 S ATOM 66 CE MET A 5 -16.180 5.750 0.106 1.00 0.00 C ATOM 0 H MET A 5 -15.731 -0.575 2.193 1.00 0.00 H new ATOM 0 HA MET A 5 -17.067 1.822 1.060 1.00 0.00 H new ATOM 0 HB2 MET A 5 -14.221 1.317 1.225 1.00 0.00 H new ATOM 0 HB3 MET A 5 -14.795 1.477 -0.423 1.00 0.00 H new ATOM 0 HG2 MET A 5 -15.380 3.427 1.857 1.00 0.00 H new ATOM 0 HG3 MET A 5 -14.210 3.687 0.579 1.00 0.00 H new ATOM 0 HE1 MET A 5 -16.569 6.336 -0.727 1.00 0.00 H new ATOM 0 HE2 MET A 5 -16.693 6.038 1.023 1.00 0.00 H new ATOM 0 HE3 MET A 5 -15.112 5.938 0.214 1.00 0.00 H new ATOM 76 N SER A 6 -18.193 -0.212 0.067 1.00 0.00 N ATOM 77 CA SER A 6 -19.022 -0.802 -0.959 1.00 0.00 C ATOM 78 C SER A 6 -18.831 -0.022 -2.253 1.00 0.00 C ATOM 79 O SER A 6 -19.394 1.059 -2.388 1.00 0.00 O ATOM 80 CB SER A 6 -20.475 -0.748 -0.503 1.00 0.00 C ATOM 81 OG SER A 6 -20.766 0.479 0.156 1.00 0.00 O ATOM 0 H SER A 6 -18.728 0.039 0.898 1.00 0.00 H new ATOM 0 HA SER A 6 -18.745 -1.842 -1.133 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.133 -0.865 -1.364 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.678 -1.581 0.170 1.00 0.00 H new ATOM 0 HG SER A 6 -20.428 1.226 -0.380 1.00 0.00 H new ATOM 87 N ASP A 7 -18.013 -0.574 -3.148 1.00 0.00 N ATOM 88 CA ASP A 7 -17.673 -0.082 -4.473 1.00 0.00 C ATOM 89 C ASP A 7 -17.379 1.413 -4.488 1.00 0.00 C ATOM 90 O ASP A 7 -18.238 2.277 -4.617 1.00 0.00 O ATOM 91 CB ASP A 7 -18.679 -0.510 -5.552 1.00 0.00 C ATOM 92 CG ASP A 7 -20.138 -0.626 -5.119 1.00 0.00 C ATOM 93 OD1 ASP A 7 -20.488 -1.711 -4.601 1.00 0.00 O ATOM 94 OD2 ASP A 7 -20.974 0.252 -5.428 1.00 0.00 O ATOM 0 H ASP A 7 -17.533 -1.450 -2.943 1.00 0.00 H new ATOM 0 HA ASP A 7 -16.737 -0.572 -4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -18.623 0.205 -6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -18.364 -1.475 -5.948 1.00 0.00 H new ATOM 99 N VAL A 8 -16.089 1.706 -4.546 1.00 0.00 N ATOM 100 CA VAL A 8 -15.509 3.039 -4.503 1.00 0.00 C ATOM 101 C VAL A 8 -14.811 3.308 -5.839 1.00 0.00 C ATOM 102 O VAL A 8 -13.920 4.157 -5.940 1.00 0.00 O ATOM 103 CB VAL A 8 -14.662 3.163 -3.217 1.00 0.00 C ATOM 104 CG1 VAL A 8 -13.393 2.298 -3.215 1.00 0.00 C ATOM 105 CG2 VAL A 8 -14.326 4.618 -2.855 1.00 0.00 C ATOM 0 H VAL A 8 -15.379 0.978 -4.629 1.00 0.00 H new ATOM 0 HA VAL A 8 -16.243 3.840 -4.419 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.312 2.766 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.855 2.443 -2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.668 1.248 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.754 2.588 -4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.730 4.638 -1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -13.761 5.074 -3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.249 5.176 -2.697 1.00 0.00 H new ATOM 115 N LYS A 9 -15.231 2.577 -6.879 1.00 0.00 N ATOM 116 CA LYS A 9 -14.863 2.704 -8.281 1.00 0.00 C ATOM 117 C LYS A 9 -13.437 2.222 -8.459 1.00 0.00 C ATOM 118 O LYS A 9 -13.221 1.080 -8.865 1.00 0.00 O ATOM 119 CB LYS A 9 -15.222 4.092 -8.830 1.00 0.00 C ATOM 120 CG LYS A 9 -16.727 4.351 -8.601 1.00 0.00 C ATOM 121 CD LYS A 9 -17.538 4.520 -9.891 1.00 0.00 C ATOM 122 CE LYS A 9 -18.997 4.227 -9.531 1.00 0.00 C ATOM 123 NZ LYS A 9 -19.906 4.336 -10.686 1.00 0.00 N ATOM 0 H LYS A 9 -15.896 1.816 -6.740 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.457 2.051 -8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.628 4.859 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.988 4.148 -9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.144 3.522 -8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.842 5.248 -7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.432 5.530 -10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.185 3.837 -10.663 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -19.068 3.223 -9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.320 4.920 -8.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -20.879 4.127 -10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.863 5.301 -11.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -19.619 3.657 -11.419 1.00 0.00 H new ATOM 137 N CYS A 10 -12.456 3.006 -8.033 1.00 0.00 N ATOM 138 CA CYS A 10 -11.118 2.509 -7.792 1.00 0.00 C ATOM 139 C CYS A 10 -11.089 1.687 -6.487 1.00 0.00 C ATOM 140 O CYS A 10 -10.513 2.140 -5.495 1.00 0.00 O ATOM 141 CB CYS A 10 -10.148 3.695 -7.783 1.00 0.00 C ATOM 142 SG CYS A 10 -9.814 4.196 -9.493 1.00 0.00 S ATOM 0 H CYS A 10 -12.570 4.002 -7.846 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.802 1.832 -8.586 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -10.576 4.527 -7.223 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.220 3.418 -7.283 1.00 0.00 H new ATOM 0 HG CYS A 10 -8.993 5.204 -9.497 1.00 0.00 H new ATOM 148 N THR A 11 -11.704 0.497 -6.469 1.00 0.00 N ATOM 149 CA THR A 11 -11.673 -0.434 -5.340 1.00 0.00 C ATOM 150 C THR A 11 -10.261 -1.010 -5.198 1.00 0.00 C ATOM 151 O THR A 11 -9.456 -0.543 -4.393 1.00 0.00 O ATOM 152 CB THR A 11 -12.739 -1.543 -5.516 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.675 -2.111 -6.813 1.00 0.00 O ATOM 154 CG2 THR A 11 -14.159 -1.013 -5.326 1.00 0.00 C ATOM 0 H THR A 11 -12.249 0.150 -7.258 1.00 0.00 H new ATOM 0 HA THR A 11 -11.919 0.096 -4.420 1.00 0.00 H new ATOM 0 HB THR A 11 -12.518 -2.290 -4.753 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.357 -2.810 -6.898 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.872 -1.827 -5.459 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.262 -0.601 -4.322 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.358 -0.233 -6.061 1.00 0.00 H new ATOM 162 N SER A 12 -9.929 -1.998 -6.024 1.00 0.00 N ATOM 163 CA SER A 12 -8.762 -2.851 -5.884 1.00 0.00 C ATOM 164 C SER A 12 -7.939 -2.821 -7.174 1.00 0.00 C ATOM 165 O SER A 12 -7.362 -3.825 -7.590 1.00 0.00 O ATOM 166 CB SER A 12 -9.220 -4.245 -5.413 1.00 0.00 C ATOM 167 OG SER A 12 -10.512 -4.572 -5.885 1.00 0.00 O ATOM 0 H SER A 12 -10.492 -2.233 -6.842 1.00 0.00 H new ATOM 0 HA SER A 12 -8.079 -2.490 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.509 -4.995 -5.759 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.214 -4.278 -4.324 1.00 0.00 H new ATOM 0 HG SER A 12 -10.761 -5.464 -5.564 1.00 0.00 H new ATOM 173 N VAL A 13 -7.846 -1.630 -7.772 1.00 0.00 N ATOM 174 CA VAL A 13 -7.365 -1.412 -9.135 1.00 0.00 C ATOM 175 C VAL A 13 -6.121 -0.513 -9.120 1.00 0.00 C ATOM 176 O VAL A 13 -5.084 -0.894 -9.653 1.00 0.00 O ATOM 177 CB VAL A 13 -8.538 -0.908 -10.017 1.00 0.00 C ATOM 178 CG1 VAL A 13 -9.753 -1.855 -9.939 1.00 0.00 C ATOM 179 CG2 VAL A 13 -9.033 0.486 -9.634 1.00 0.00 C ATOM 0 H VAL A 13 -8.113 -0.764 -7.304 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.029 -2.343 -9.592 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.125 -0.877 -11.025 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.555 -1.470 -10.569 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.464 -2.847 -10.285 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.100 -1.917 -8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.853 0.774 -10.292 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.382 0.477 -8.601 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.218 1.202 -9.735 1.00 0.00 H new ATOM 189 N VAL A 14 -6.168 0.619 -8.408 1.00 0.00 N ATOM 190 CA VAL A 14 -5.097 1.604 -8.296 1.00 0.00 C ATOM 191 C VAL A 14 -3.813 0.928 -7.822 1.00 0.00 C ATOM 192 O VAL A 14 -2.817 0.892 -8.539 1.00 0.00 O ATOM 193 CB VAL A 14 -5.600 2.708 -7.343 1.00 0.00 C ATOM 194 CG1 VAL A 14 -4.505 3.562 -6.716 1.00 0.00 C ATOM 195 CG2 VAL A 14 -6.627 3.600 -8.040 1.00 0.00 C ATOM 0 H VAL A 14 -6.994 0.881 -7.871 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.850 2.057 -9.256 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.066 2.173 -6.516 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.956 4.309 -6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.837 2.927 -6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.938 4.061 -7.502 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.968 4.371 -7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.170 4.069 -8.911 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.477 2.996 -8.358 1.00 0.00 H new ATOM 205 N LEU A 15 -3.825 0.351 -6.616 1.00 0.00 N ATOM 206 CA LEU A 15 -2.609 -0.213 -6.038 1.00 0.00 C ATOM 207 C LEU A 15 -2.110 -1.409 -6.860 1.00 0.00 C ATOM 208 O LEU A 15 -0.917 -1.717 -6.826 1.00 0.00 O ATOM 209 CB LEU A 15 -2.871 -0.588 -4.570 1.00 0.00 C ATOM 210 CG LEU A 15 -1.604 -0.664 -3.704 1.00 0.00 C ATOM 211 CD1 LEU A 15 -0.978 0.722 -3.480 1.00 0.00 C ATOM 212 CD2 LEU A 15 -1.902 -1.268 -2.330 1.00 0.00 C ATOM 0 H LEU A 15 -4.655 0.264 -6.030 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.815 0.533 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.551 0.144 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.378 -1.552 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.906 -1.298 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.085 0.622 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.708 1.159 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.697 1.369 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.984 -1.307 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.637 -0.651 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.297 -2.276 -2.454 1.00 0.00 H new ATOM 224 N LEU A 16 -3.011 -2.061 -7.603 1.00 0.00 N ATOM 225 CA LEU A 16 -2.747 -3.162 -8.525 1.00 0.00 C ATOM 226 C LEU A 16 -2.065 -2.711 -9.820 1.00 0.00 C ATOM 227 O LEU A 16 -1.599 -3.566 -10.569 1.00 0.00 O ATOM 228 CB LEU A 16 -4.066 -3.887 -8.856 1.00 0.00 C ATOM 229 CG LEU A 16 -4.345 -5.153 -8.040 1.00 0.00 C ATOM 230 CD1 LEU A 16 -3.404 -6.281 -8.448 1.00 0.00 C ATOM 231 CD2 LEU A 16 -4.290 -4.922 -6.522 1.00 0.00 C ATOM 0 H LEU A 16 -4.001 -1.817 -7.572 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.055 -3.838 -8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.891 -3.190 -8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.060 -4.151 -9.913 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.370 -5.444 -8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.622 -7.169 -7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.544 -6.507 -9.505 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.372 -5.974 -8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.497 -5.858 -6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.299 -4.565 -6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.036 -4.179 -6.240 1.00 0.00 H new ATOM 243 N SER A 17 -1.992 -1.408 -10.087 1.00 0.00 N ATOM 244 CA SER A 17 -1.265 -0.814 -11.202 1.00 0.00 C ATOM 245 C SER A 17 -0.180 0.170 -10.749 1.00 0.00 C ATOM 246 O SER A 17 0.471 0.752 -11.606 1.00 0.00 O ATOM 247 CB SER A 17 -2.246 -0.173 -12.190 1.00 0.00 C ATOM 248 OG SER A 17 -3.157 -1.140 -12.694 1.00 0.00 O ATOM 0 H SER A 17 -2.458 -0.711 -9.507 1.00 0.00 H new ATOM 0 HA SER A 17 -0.734 -1.617 -11.714 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.795 0.628 -11.696 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.695 0.279 -13.015 1.00 0.00 H new ATOM 0 HG SER A 17 -3.776 -0.711 -13.321 1.00 0.00 H new ATOM 254 N VAL A 18 0.022 0.386 -9.442 1.00 0.00 N ATOM 255 CA VAL A 18 0.990 1.367 -8.949 1.00 0.00 C ATOM 256 C VAL A 18 2.102 0.699 -8.155 1.00 0.00 C ATOM 257 O VAL A 18 3.269 0.835 -8.517 1.00 0.00 O ATOM 258 CB VAL A 18 0.276 2.496 -8.172 1.00 0.00 C ATOM 259 CG1 VAL A 18 1.260 3.477 -7.520 1.00 0.00 C ATOM 260 CG2 VAL A 18 -0.621 3.312 -9.110 1.00 0.00 C ATOM 0 H VAL A 18 -0.478 -0.111 -8.705 1.00 0.00 H new ATOM 0 HA VAL A 18 1.477 1.837 -9.803 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.307 2.000 -7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.705 4.249 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.898 2.940 -6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.877 3.940 -8.290 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.115 4.102 -8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.014 3.756 -9.899 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.372 2.659 -9.554 1.00 0.00 H new ATOM 270 N LEU A 19 1.771 0.035 -7.047 1.00 0.00 N ATOM 271 CA LEU A 19 2.785 -0.482 -6.135 1.00 0.00 C ATOM 272 C LEU A 19 3.267 -1.815 -6.692 1.00 0.00 C ATOM 273 O LEU A 19 4.353 -1.880 -7.266 1.00 0.00 O ATOM 274 CB LEU A 19 2.227 -0.553 -4.698 1.00 0.00 C ATOM 275 CG LEU A 19 2.874 0.416 -3.696 1.00 0.00 C ATOM 276 CD1 LEU A 19 4.327 0.092 -3.347 1.00 0.00 C ATOM 277 CD2 LEU A 19 2.778 1.877 -4.150 1.00 0.00 C ATOM 0 H LEU A 19 0.810 -0.156 -6.762 1.00 0.00 H new ATOM 0 HA LEU A 19 3.649 0.179 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.156 -0.354 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.351 -1.570 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 19 2.286 0.277 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.703 0.827 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.382 -0.903 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.934 0.121 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.250 2.521 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.286 1.995 -5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.730 2.156 -4.259 1.00 0.00 H new ATOM 289 N GLN A 20 2.433 -2.858 -6.609 1.00 0.00 N ATOM 290 CA GLN A 20 2.810 -4.197 -7.017 1.00 0.00 C ATOM 291 C GLN A 20 3.386 -4.297 -8.426 1.00 0.00 C ATOM 292 O GLN A 20 4.225 -5.161 -8.661 1.00 0.00 O ATOM 293 CB GLN A 20 1.623 -5.132 -6.847 1.00 0.00 C ATOM 294 CG GLN A 20 0.480 -4.985 -7.868 1.00 0.00 C ATOM 295 CD GLN A 20 0.557 -6.038 -8.979 1.00 0.00 C ATOM 296 OE1 GLN A 20 0.913 -5.730 -10.102 1.00 0.00 O ATOM 297 NE2 GLN A 20 0.230 -7.289 -8.694 1.00 0.00 N ATOM 0 H GLN A 20 1.479 -2.787 -6.255 1.00 0.00 H new ATOM 0 HA GLN A 20 3.628 -4.497 -6.362 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.988 -6.158 -6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.211 -4.982 -5.849 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.477 -5.071 -7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.516 -3.989 -8.310 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.067 -7.536 -7.750 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.275 -8.006 -9.418 1.00 0.00 H new ATOM 306 N GLN A 21 2.961 -3.380 -9.292 1.00 0.00 N ATOM 307 CA GLN A 21 3.292 -3.268 -10.697 1.00 0.00 C ATOM 308 C GLN A 21 4.793 -3.468 -10.961 1.00 0.00 C ATOM 309 O GLN A 21 5.129 -4.134 -11.941 1.00 0.00 O ATOM 310 CB GLN A 21 2.796 -1.891 -11.182 1.00 0.00 C ATOM 311 CG GLN A 21 2.623 -1.830 -12.706 1.00 0.00 C ATOM 312 CD GLN A 21 2.655 -0.412 -13.285 1.00 0.00 C ATOM 313 OE1 GLN A 21 3.445 0.430 -12.871 1.00 0.00 O ATOM 314 NE2 GLN A 21 1.859 -0.128 -14.303 1.00 0.00 N ATOM 0 H GLN A 21 2.325 -2.639 -8.998 1.00 0.00 H new ATOM 0 HA GLN A 21 2.798 -4.062 -11.258 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.844 -1.662 -10.702 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.503 -1.123 -10.869 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.412 -2.419 -13.174 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.675 -2.298 -12.972 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.202 -0.828 -14.647 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.902 0.791 -14.743 1.00 0.00 H new ATOM 323 N LEU A 22 5.664 -2.904 -10.105 1.00 0.00 N ATOM 324 CA LEU A 22 7.128 -3.033 -10.194 1.00 0.00 C ATOM 325 C LEU A 22 7.775 -3.508 -8.879 1.00 0.00 C ATOM 326 O LEU A 22 8.976 -3.799 -8.858 1.00 0.00 O ATOM 327 CB LEU A 22 7.795 -1.709 -10.644 1.00 0.00 C ATOM 328 CG LEU A 22 7.708 -1.312 -12.134 1.00 0.00 C ATOM 329 CD1 LEU A 22 8.008 -2.461 -13.100 1.00 0.00 C ATOM 330 CD2 LEU A 22 6.370 -0.679 -12.512 1.00 0.00 C ATOM 0 H LEU A 22 5.362 -2.334 -9.315 1.00 0.00 H new ATOM 0 HA LEU A 22 7.302 -3.800 -10.949 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.356 -0.901 -10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.850 -1.761 -10.375 1.00 0.00 H new ATOM 0 HG LEU A 22 8.494 -0.564 -12.243 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.927 -2.104 -14.127 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.018 -2.831 -12.923 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.293 -3.268 -12.939 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.375 -0.424 -13.572 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.564 -1.385 -12.313 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.215 0.224 -11.922 1.00 0.00 H new ATOM 342 N ARG A 23 7.033 -3.554 -7.764 1.00 0.00 N ATOM 343 CA ARG A 23 7.588 -3.899 -6.449 1.00 0.00 C ATOM 344 C ARG A 23 7.461 -5.367 -6.122 1.00 0.00 C ATOM 345 O ARG A 23 8.360 -5.979 -5.559 1.00 0.00 O ATOM 346 CB ARG A 23 6.912 -3.068 -5.356 1.00 0.00 C ATOM 347 CG ARG A 23 7.494 -1.664 -5.281 1.00 0.00 C ATOM 348 CD ARG A 23 6.939 -0.669 -6.302 1.00 0.00 C ATOM 349 NE ARG A 23 7.520 0.676 -6.187 1.00 0.00 N ATOM 350 CZ ARG A 23 7.242 1.680 -7.028 1.00 0.00 C ATOM 351 NH1 ARG A 23 6.342 1.515 -7.998 1.00 0.00 N ATOM 352 NH2 ARG A 23 7.849 2.851 -6.893 1.00 0.00 N ATOM 0 H ARG A 23 6.033 -3.353 -7.749 1.00 0.00 H new ATOM 0 HA ARG A 23 8.653 -3.670 -6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.841 -3.009 -5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.033 -3.565 -4.393 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.318 -1.269 -4.281 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.574 -1.729 -5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.123 -1.051 -7.306 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.858 -0.601 -6.180 1.00 0.00 H new ATOM 0 HE ARG A 23 8.172 0.855 -5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.862 0.621 -8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.134 2.283 -8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.530 2.989 -6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.635 3.614 -7.536 1.00 0.00 H new ATOM 366 N VAL A 24 6.272 -5.862 -6.358 1.00 0.00 N ATOM 367 CA VAL A 24 5.840 -7.206 -6.003 1.00 0.00 C ATOM 368 C VAL A 24 5.967 -8.052 -7.268 1.00 0.00 C ATOM 369 O VAL A 24 7.086 -8.430 -7.591 1.00 0.00 O ATOM 370 CB VAL A 24 4.496 -7.136 -5.254 1.00 0.00 C ATOM 371 CG1 VAL A 24 3.790 -8.470 -4.951 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.643 -6.371 -3.935 1.00 0.00 C ATOM 0 H VAL A 24 5.542 -5.322 -6.822 1.00 0.00 H new ATOM 0 HA VAL A 24 6.457 -7.725 -5.269 1.00 0.00 H new ATOM 0 HB VAL A 24 3.857 -6.619 -5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.857 -8.276 -4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.576 -8.989 -5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.437 -9.091 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.680 -6.336 -3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.371 -6.876 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.983 -5.356 -4.139 1.00 0.00 H new ATOM 382 N GLU A 25 4.845 -8.337 -7.928 1.00 0.00 N ATOM 383 CA GLU A 25 4.589 -9.346 -8.962 1.00 0.00 C ATOM 384 C GLU A 25 4.612 -10.772 -8.397 1.00 0.00 C ATOM 385 O GLU A 25 5.151 -11.021 -7.319 1.00 0.00 O ATOM 386 CB GLU A 25 5.402 -9.123 -10.254 1.00 0.00 C ATOM 387 CG GLU A 25 6.774 -9.798 -10.380 1.00 0.00 C ATOM 388 CD GLU A 25 7.765 -8.982 -11.223 1.00 0.00 C ATOM 389 OE1 GLU A 25 7.347 -8.188 -12.098 1.00 0.00 O ATOM 390 OE2 GLU A 25 8.999 -9.143 -11.072 1.00 0.00 O ATOM 0 H GLU A 25 3.996 -7.808 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 25 3.562 -9.206 -9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.790 -9.456 -11.092 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.548 -8.049 -10.373 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.191 -9.951 -9.385 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.649 -10.784 -10.828 1.00 0.00 H new ATOM 397 N SER A 26 3.858 -11.653 -9.061 1.00 0.00 N ATOM 398 CA SER A 26 3.759 -13.107 -8.958 1.00 0.00 C ATOM 399 C SER A 26 2.280 -13.439 -9.171 1.00 0.00 C ATOM 400 O SER A 26 1.717 -13.109 -10.215 1.00 0.00 O ATOM 401 CB SER A 26 4.420 -13.724 -7.705 1.00 0.00 C ATOM 402 OG SER A 26 4.220 -15.130 -7.633 1.00 0.00 O ATOM 0 H SER A 26 3.218 -11.313 -9.779 1.00 0.00 H new ATOM 0 HA SER A 26 4.361 -13.592 -9.727 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.489 -13.510 -7.717 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.011 -13.254 -6.811 1.00 0.00 H new ATOM 0 HG SER A 26 4.654 -15.481 -6.828 1.00 0.00 H new ATOM 408 N SER A 27 1.605 -13.987 -8.160 1.00 0.00 N ATOM 409 CA SER A 27 0.378 -14.752 -8.322 1.00 0.00 C ATOM 410 C SER A 27 -0.519 -14.595 -7.087 1.00 0.00 C ATOM 411 O SER A 27 -1.016 -15.590 -6.558 1.00 0.00 O ATOM 412 CB SER A 27 0.785 -16.211 -8.611 1.00 0.00 C ATOM 413 OG SER A 27 1.813 -16.654 -7.728 1.00 0.00 O ATOM 0 H SER A 27 1.905 -13.907 -7.189 1.00 0.00 H new ATOM 0 HA SER A 27 -0.221 -14.388 -9.157 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.086 -16.859 -8.511 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.128 -16.296 -9.642 1.00 0.00 H new ATOM 0 HG SER A 27 2.630 -16.139 -7.893 1.00 0.00 H new ATOM 419 N SER A 28 -0.683 -13.364 -6.592 1.00 0.00 N ATOM 420 CA SER A 28 -1.441 -13.030 -5.380 1.00 0.00 C ATOM 421 C SER A 28 -1.156 -14.019 -4.242 1.00 0.00 C ATOM 422 O SER A 28 -2.017 -14.799 -3.829 1.00 0.00 O ATOM 423 CB SER A 28 -2.937 -12.869 -5.703 1.00 0.00 C ATOM 424 OG SER A 28 -3.123 -12.191 -6.942 1.00 0.00 O ATOM 0 H SER A 28 -0.277 -12.542 -7.040 1.00 0.00 H new ATOM 0 HA SER A 28 -1.101 -12.063 -5.010 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.411 -13.850 -5.747 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.427 -12.314 -4.904 1.00 0.00 H new ATOM 0 HG SER A 28 -4.082 -12.102 -7.126 1.00 0.00 H new ATOM 430 N LYS A 29 0.100 -14.016 -3.785 1.00 0.00 N ATOM 431 CA LYS A 29 0.569 -14.854 -2.696 1.00 0.00 C ATOM 432 C LYS A 29 0.165 -14.212 -1.371 1.00 0.00 C ATOM 433 O LYS A 29 -0.993 -14.316 -0.972 1.00 0.00 O ATOM 434 CB LYS A 29 2.073 -15.122 -2.908 1.00 0.00 C ATOM 435 CG LYS A 29 2.737 -15.997 -1.834 1.00 0.00 C ATOM 436 CD LYS A 29 2.767 -17.490 -2.162 1.00 0.00 C ATOM 437 CE LYS A 29 1.363 -18.045 -2.375 1.00 0.00 C ATOM 438 NZ LYS A 29 1.367 -19.499 -2.591 1.00 0.00 N ATOM 0 H LYS A 29 0.827 -13.416 -4.175 1.00 0.00 H new ATOM 0 HA LYS A 29 0.105 -15.840 -2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.208 -15.600 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.594 -14.166 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.759 -15.651 -1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.209 -15.856 -0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.364 -17.654 -3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.254 -18.032 -1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.746 -17.810 -1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.906 -17.553 -3.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.392 -19.832 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.934 -19.723 -3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.778 -19.972 -1.761 1.00 0.00 H new ATOM 452 N LEU A 30 1.077 -13.516 -0.695 1.00 0.00 N ATOM 453 CA LEU A 30 0.851 -12.983 0.641 1.00 0.00 C ATOM 454 C LEU A 30 0.708 -11.473 0.574 1.00 0.00 C ATOM 455 O LEU A 30 -0.060 -10.919 1.355 1.00 0.00 O ATOM 456 CB LEU A 30 1.895 -13.547 1.630 1.00 0.00 C ATOM 457 CG LEU A 30 2.847 -12.630 2.421 1.00 0.00 C ATOM 458 CD1 LEU A 30 3.903 -11.943 1.561 1.00 0.00 C ATOM 459 CD2 LEU A 30 2.144 -11.628 3.340 1.00 0.00 C ATOM 0 H LEU A 30 2.003 -13.306 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.098 -13.322 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.346 -14.138 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.521 -14.239 1.066 1.00 0.00 H new ATOM 0 HG LEU A 30 3.373 -13.327 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.533 -11.316 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.518 -12.696 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.414 -11.325 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.889 -11.024 3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.500 -10.979 2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.541 -12.166 4.072 1.00 0.00 H new ATOM 471 N TRP A 31 1.322 -10.803 -0.411 1.00 0.00 N ATOM 472 CA TRP A 31 1.181 -9.360 -0.639 1.00 0.00 C ATOM 473 C TRP A 31 -0.299 -8.924 -0.603 1.00 0.00 C ATOM 474 O TRP A 31 -0.650 -7.854 -0.092 1.00 0.00 O ATOM 475 CB TRP A 31 1.860 -8.969 -1.960 1.00 0.00 C ATOM 476 CG TRP A 31 1.095 -8.019 -2.833 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.041 -6.677 -2.706 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.248 -8.336 -3.969 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.155 -6.155 -3.630 1.00 0.00 N ATOM 480 CE2 TRP A 31 -0.353 -7.138 -4.447 1.00 0.00 C ATOM 481 CE3 TRP A 31 -0.049 -9.523 -4.658 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -1.242 -7.127 -5.530 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -0.897 -9.512 -5.780 1.00 0.00 C ATOM 484 CH2 TRP A 31 -1.505 -8.326 -6.204 1.00 0.00 C ATOM 0 H TRP A 31 1.941 -11.257 -1.083 1.00 0.00 H new ATOM 0 HA TRP A 31 1.681 -8.830 0.171 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.828 -8.523 -1.731 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.055 -9.878 -2.529 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.605 -6.098 -1.990 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.091 -5.167 -3.697 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.379 -10.456 -4.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.717 -6.208 -5.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.081 -10.429 -6.320 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.176 -8.335 -7.050 1.00 0.00 H new ATOM 495 N ALA A 32 -1.169 -9.795 -1.120 1.00 0.00 N ATOM 496 CA ALA A 32 -2.603 -9.611 -1.234 1.00 0.00 C ATOM 497 C ALA A 32 -3.264 -9.346 0.125 1.00 0.00 C ATOM 498 O ALA A 32 -4.227 -8.588 0.183 1.00 0.00 O ATOM 499 CB ALA A 32 -3.210 -10.840 -1.912 1.00 0.00 C ATOM 0 H ALA A 32 -0.866 -10.696 -1.489 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.791 -8.726 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.289 -10.710 -2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.775 -10.960 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.000 -11.727 -1.314 1.00 0.00 H new ATOM 505 N GLN A 33 -2.719 -9.889 1.217 1.00 0.00 N ATOM 506 CA GLN A 33 -3.201 -9.684 2.582 1.00 0.00 C ATOM 507 C GLN A 33 -3.178 -8.199 2.959 1.00 0.00 C ATOM 508 O GLN A 33 -4.075 -7.724 3.650 1.00 0.00 O ATOM 509 CB GLN A 33 -2.329 -10.495 3.554 1.00 0.00 C ATOM 510 CG GLN A 33 -2.482 -12.008 3.342 1.00 0.00 C ATOM 511 CD GLN A 33 -1.544 -12.857 4.202 1.00 0.00 C ATOM 512 OE1 GLN A 33 -1.161 -12.504 5.322 1.00 0.00 O ATOM 513 NE2 GLN A 33 -1.167 -14.021 3.702 1.00 0.00 N ATOM 0 H GLN A 33 -1.905 -10.502 1.172 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.234 -10.025 2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.284 -10.215 3.423 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.600 -10.244 4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.512 -12.292 3.558 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.302 -12.237 2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.487 -14.306 2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.556 -14.634 4.242 1.00 0.00 H new ATOM 522 N CYS A 34 -2.194 -7.445 2.464 1.00 0.00 N ATOM 523 CA CYS A 34 -2.166 -5.998 2.623 1.00 0.00 C ATOM 524 C CYS A 34 -2.871 -5.290 1.479 1.00 0.00 C ATOM 525 O CYS A 34 -3.366 -4.177 1.675 1.00 0.00 O ATOM 526 CB CYS A 34 -0.719 -5.537 2.762 1.00 0.00 C ATOM 527 SG CYS A 34 -0.105 -5.958 4.418 1.00 0.00 S ATOM 0 H CYS A 34 -1.401 -7.822 1.945 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.712 -5.733 3.528 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.100 -6.013 2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.652 -4.461 2.600 1.00 0.00 H new ATOM 0 HG CYS A 34 0.932 -5.225 4.695 1.00 0.00 H new ATOM 533 N VAL A 35 -2.985 -5.905 0.301 1.00 0.00 N ATOM 534 CA VAL A 35 -3.723 -5.270 -0.776 1.00 0.00 C ATOM 535 C VAL A 35 -5.204 -5.138 -0.399 1.00 0.00 C ATOM 536 O VAL A 35 -5.777 -4.074 -0.632 1.00 0.00 O ATOM 537 CB VAL A 35 -3.436 -5.954 -2.135 1.00 0.00 C ATOM 538 CG1 VAL A 35 -4.569 -6.810 -2.726 1.00 0.00 C ATOM 539 CG2 VAL A 35 -3.082 -4.876 -3.158 1.00 0.00 C ATOM 0 H VAL A 35 -2.586 -6.817 0.077 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.373 -4.248 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.623 -6.650 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.246 -7.234 -3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.815 -7.615 -2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.449 -6.188 -2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.877 -5.342 -4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.917 -4.183 -3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.199 -4.332 -2.823 1.00 0.00 H new ATOM 549 N GLN A 36 -5.781 -6.143 0.258 1.00 0.00 N ATOM 550 CA GLN A 36 -7.163 -6.121 0.750 1.00 0.00 C ATOM 551 C GLN A 36 -7.368 -5.117 1.895 1.00 0.00 C ATOM 552 O GLN A 36 -8.509 -4.789 2.232 1.00 0.00 O ATOM 553 CB GLN A 36 -7.644 -7.529 1.144 1.00 0.00 C ATOM 554 CG GLN A 36 -6.914 -8.140 2.347 1.00 0.00 C ATOM 555 CD GLN A 36 -7.511 -9.481 2.759 1.00 0.00 C ATOM 556 OE1 GLN A 36 -7.651 -10.395 1.949 1.00 0.00 O ATOM 557 NE2 GLN A 36 -7.857 -9.670 4.019 1.00 0.00 N ATOM 0 H GLN A 36 -5.294 -7.014 0.469 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.781 -5.777 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.710 -7.485 1.367 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.524 -8.193 0.288 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.860 -8.273 2.102 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.961 -7.449 3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.744 -8.917 4.697 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.237 -10.569 4.314 1.00 0.00 H new ATOM 566 N LEU A 37 -6.288 -4.618 2.508 1.00 0.00 N ATOM 567 CA LEU A 37 -6.352 -3.494 3.428 1.00 0.00 C ATOM 568 C LEU A 37 -6.275 -2.176 2.681 1.00 0.00 C ATOM 569 O LEU A 37 -6.962 -1.239 3.074 1.00 0.00 O ATOM 570 CB LEU A 37 -5.258 -3.587 4.511 1.00 0.00 C ATOM 571 CG LEU A 37 -5.823 -3.931 5.900 1.00 0.00 C ATOM 572 CD1 LEU A 37 -6.652 -2.780 6.484 1.00 0.00 C ATOM 573 CD2 LEU A 37 -6.693 -5.191 5.864 1.00 0.00 C ATOM 0 H LEU A 37 -5.347 -4.988 2.375 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.316 -3.537 3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.530 -4.345 4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.725 -2.638 4.565 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.957 -4.108 6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.031 -3.066 7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.025 -1.893 6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.489 -2.562 5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.073 -5.400 6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.530 -5.036 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.096 -6.035 5.519 1.00 0.00 H new ATOM 585 N HIS A 38 -5.508 -2.065 1.592 1.00 0.00 N ATOM 586 CA HIS A 38 -5.379 -0.773 0.918 1.00 0.00 C ATOM 587 C HIS A 38 -6.753 -0.213 0.504 1.00 0.00 C ATOM 588 O HIS A 38 -6.987 0.987 0.605 1.00 0.00 O ATOM 589 CB HIS A 38 -4.420 -0.840 -0.267 1.00 0.00 C ATOM 590 CG HIS A 38 -5.077 -0.883 -1.632 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.426 -2.020 -2.324 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.501 0.192 -2.367 1.00 0.00 C ATOM 593 CE1 HIS A 38 -6.026 -1.642 -3.464 1.00 0.00 C ATOM 594 NE2 HIS A 38 -6.136 -0.301 -3.484 1.00 0.00 N ATOM 0 H HIS A 38 -4.982 -2.830 1.170 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.946 -0.079 1.638 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.759 0.026 -0.228 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.793 -1.725 -0.156 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.258 -2.980 -2.024 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.363 1.233 -2.117 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.367 -2.309 -4.242 1.00 0.00 H new ATOM 603 N ASN A 39 -7.654 -1.079 0.013 1.00 0.00 N ATOM 604 CA ASN A 39 -8.995 -0.698 -0.460 1.00 0.00 C ATOM 605 C ASN A 39 -9.948 -0.325 0.676 1.00 0.00 C ATOM 606 O ASN A 39 -11.035 0.205 0.436 1.00 0.00 O ATOM 607 CB ASN A 39 -9.634 -1.797 -1.321 1.00 0.00 C ATOM 608 CG ASN A 39 -9.659 -3.182 -0.691 1.00 0.00 C ATOM 609 OD1 ASN A 39 -9.003 -4.066 -1.221 1.00 0.00 O ATOM 610 ND2 ASN A 39 -10.348 -3.420 0.417 1.00 0.00 N ATOM 0 H ASN A 39 -7.469 -2.079 -0.068 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.839 0.190 -1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.657 -1.504 -1.555 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.095 -1.855 -2.266 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.334 -4.350 0.836 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.892 -2.673 0.850 1.00 0.00 H new ATOM 617 N ASP A 40 -9.554 -0.585 1.917 1.00 0.00 N ATOM 618 CA ASP A 40 -10.247 -0.112 3.097 1.00 0.00 C ATOM 619 C ASP A 40 -9.624 1.239 3.441 1.00 0.00 C ATOM 620 O ASP A 40 -10.327 2.239 3.487 1.00 0.00 O ATOM 621 CB ASP A 40 -10.049 -1.122 4.245 1.00 0.00 C ATOM 622 CG ASP A 40 -10.960 -2.335 4.164 1.00 0.00 C ATOM 623 OD1 ASP A 40 -11.400 -2.723 3.062 1.00 0.00 O ATOM 624 OD2 ASP A 40 -11.180 -2.956 5.229 1.00 0.00 O ATOM 0 H ASP A 40 -8.726 -1.142 2.129 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.320 -0.009 2.933 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.012 -1.458 4.245 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.219 -0.615 5.195 1.00 0.00 H new ATOM 629 N ILE A 41 -8.308 1.304 3.611 1.00 0.00 N ATOM 630 CA ILE A 41 -7.502 2.433 4.053 1.00 0.00 C ATOM 631 C ILE A 41 -7.783 3.778 3.340 1.00 0.00 C ATOM 632 O ILE A 41 -7.402 4.803 3.884 1.00 0.00 O ATOM 633 CB ILE A 41 -6.029 1.942 3.993 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.725 0.881 5.084 1.00 0.00 C ATOM 635 CG2 ILE A 41 -4.987 3.040 4.082 1.00 0.00 C ATOM 636 CD1 ILE A 41 -5.629 1.409 6.524 1.00 0.00 C ATOM 0 H ILE A 41 -7.724 0.489 3.424 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.772 2.715 5.071 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.948 1.500 3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.503 0.118 5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.785 0.390 4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.991 2.601 4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.119 3.735 3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.101 3.574 5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.414 0.582 7.201 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.830 2.148 6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.575 1.872 6.806 1.00 0.00 H new ATOM 648 N LEU A 42 -8.528 3.847 2.226 1.00 0.00 N ATOM 649 CA LEU A 42 -8.926 5.106 1.595 1.00 0.00 C ATOM 650 C LEU A 42 -9.583 6.124 2.525 1.00 0.00 C ATOM 651 O LEU A 42 -9.456 7.309 2.227 1.00 0.00 O ATOM 652 CB LEU A 42 -9.866 4.912 0.390 1.00 0.00 C ATOM 653 CG LEU A 42 -9.327 4.214 -0.872 1.00 0.00 C ATOM 654 CD1 LEU A 42 -7.815 4.355 -1.065 1.00 0.00 C ATOM 655 CD2 LEU A 42 -9.698 2.736 -0.852 1.00 0.00 C ATOM 0 H LEU A 42 -8.872 3.021 1.737 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.965 5.506 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.731 4.346 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.227 5.896 0.093 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.797 4.720 -1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.514 3.836 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.555 5.411 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.297 3.919 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.312 2.252 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.265 2.264 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.783 2.634 -0.823 1.00 0.00 H new ATOM 667 N LEU A 43 -10.258 5.711 3.607 1.00 0.00 N ATOM 668 CA LEU A 43 -10.902 6.635 4.560 1.00 0.00 C ATOM 669 C LEU A 43 -10.264 6.546 5.937 1.00 0.00 C ATOM 670 O LEU A 43 -10.926 6.664 6.973 1.00 0.00 O ATOM 671 CB LEU A 43 -12.428 6.455 4.612 1.00 0.00 C ATOM 672 CG LEU A 43 -13.141 6.675 3.270 1.00 0.00 C ATOM 673 CD1 LEU A 43 -14.647 6.761 3.510 1.00 0.00 C ATOM 674 CD2 LEU A 43 -12.616 7.922 2.561 1.00 0.00 C ATOM 0 H LEU A 43 -10.375 4.727 3.849 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.730 7.646 4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.651 5.449 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.838 7.149 5.345 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.935 5.830 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -15.158 6.917 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.997 5.833 3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.862 7.594 4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.141 8.050 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.784 8.796 3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.548 7.811 2.372 1.00 0.00 H new ATOM 686 N ALA A 44 -8.967 6.290 5.934 1.00 0.00 N ATOM 687 CA ALA A 44 -8.152 6.295 7.137 1.00 0.00 C ATOM 688 C ALA A 44 -7.760 7.744 7.359 1.00 0.00 C ATOM 689 O ALA A 44 -7.235 8.348 6.436 1.00 0.00 O ATOM 690 CB ALA A 44 -6.888 5.457 6.936 1.00 0.00 C ATOM 0 H ALA A 44 -8.444 6.070 5.086 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.697 5.875 7.983 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.292 5.474 7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.166 4.429 6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.304 5.870 6.113 1.00 0.00 H new ATOM 696 N LYS A 45 -7.976 8.297 8.549 1.00 0.00 N ATOM 697 CA LYS A 45 -7.609 9.668 8.903 1.00 0.00 C ATOM 698 C LYS A 45 -8.372 10.695 8.068 1.00 0.00 C ATOM 699 O LYS A 45 -9.377 11.251 8.522 1.00 0.00 O ATOM 700 CB LYS A 45 -6.071 9.824 8.821 1.00 0.00 C ATOM 701 CG LYS A 45 -5.536 11.060 9.557 1.00 0.00 C ATOM 702 CD LYS A 45 -5.351 10.797 11.056 1.00 0.00 C ATOM 703 CE LYS A 45 -4.164 9.858 11.267 1.00 0.00 C ATOM 704 NZ LYS A 45 -4.003 9.438 12.664 1.00 0.00 N ATOM 0 H LYS A 45 -8.423 7.792 9.315 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.906 9.869 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.602 8.933 9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.776 9.880 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.583 11.358 9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.225 11.893 9.417 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.183 11.736 11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.256 10.355 11.473 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.291 8.975 10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.252 10.355 10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.183 8.803 12.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.853 10.275 13.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.859 8.938 12.977 1.00 0.00 H new ATOM 718 N ASP A 46 -7.892 10.945 6.863 1.00 0.00 N ATOM 719 CA ASP A 46 -8.295 11.973 5.926 1.00 0.00 C ATOM 720 C ASP A 46 -7.880 11.488 4.544 1.00 0.00 C ATOM 721 O ASP A 46 -6.950 10.685 4.453 1.00 0.00 O ATOM 722 CB ASP A 46 -7.571 13.289 6.269 1.00 0.00 C ATOM 723 CG ASP A 46 -8.323 14.531 5.794 1.00 0.00 C ATOM 724 OD1 ASP A 46 -9.512 14.418 5.429 1.00 0.00 O ATOM 725 OD2 ASP A 46 -7.759 15.646 5.885 1.00 0.00 O ATOM 0 H ASP A 46 -7.136 10.376 6.481 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.369 12.156 5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.430 13.348 7.348 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.579 13.278 5.818 1.00 0.00 H new ATOM 730 N THR A 47 -8.499 11.981 3.470 1.00 0.00 N ATOM 731 CA THR A 47 -8.295 11.444 2.121 1.00 0.00 C ATOM 732 C THR A 47 -6.809 11.381 1.712 1.00 0.00 C ATOM 733 O THR A 47 -6.439 10.488 0.939 1.00 0.00 O ATOM 734 CB THR A 47 -9.156 12.243 1.125 1.00 0.00 C ATOM 735 OG1 THR A 47 -10.522 12.062 1.451 1.00 0.00 O ATOM 736 CG2 THR A 47 -9.003 11.814 -0.340 1.00 0.00 C ATOM 0 H THR A 47 -9.154 12.762 3.509 1.00 0.00 H new ATOM 0 HA THR A 47 -8.622 10.404 2.111 1.00 0.00 H new ATOM 0 HB THR A 47 -8.815 13.275 1.212 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.078 12.569 0.823 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.646 12.430 -0.969 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.965 11.939 -0.649 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.289 10.767 -0.444 1.00 0.00 H new ATOM 744 N THR A 48 -5.972 12.281 2.235 1.00 0.00 N ATOM 745 CA THR A 48 -4.534 12.285 2.037 1.00 0.00 C ATOM 746 C THR A 48 -3.874 11.101 2.761 1.00 0.00 C ATOM 747 O THR A 48 -3.497 10.132 2.092 1.00 0.00 O ATOM 748 CB THR A 48 -3.967 13.648 2.458 1.00 0.00 C ATOM 749 OG1 THR A 48 -4.807 14.687 1.996 1.00 0.00 O ATOM 750 CG2 THR A 48 -2.563 13.857 1.905 1.00 0.00 C ATOM 0 H THR A 48 -6.294 13.048 2.825 1.00 0.00 H new ATOM 0 HA THR A 48 -4.304 12.148 0.980 1.00 0.00 H new ATOM 0 HB THR A 48 -3.920 13.666 3.547 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.438 15.552 2.271 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.189 14.831 2.220 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.903 13.075 2.282 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.591 13.814 0.816 1.00 0.00 H new ATOM 758 N GLU A 49 -3.750 11.169 4.096 1.00 0.00 N ATOM 759 CA GLU A 49 -2.961 10.227 4.895 1.00 0.00 C ATOM 760 C GLU A 49 -3.506 8.793 4.794 1.00 0.00 C ATOM 761 O GLU A 49 -2.798 7.829 5.041 1.00 0.00 O ATOM 762 CB GLU A 49 -2.851 10.693 6.360 1.00 0.00 C ATOM 763 CG GLU A 49 -1.477 10.374 6.993 1.00 0.00 C ATOM 764 CD GLU A 49 -1.529 9.315 8.097 1.00 0.00 C ATOM 765 OE1 GLU A 49 -2.147 9.554 9.154 1.00 0.00 O ATOM 766 OE2 GLU A 49 -0.959 8.209 7.949 1.00 0.00 O ATOM 0 H GLU A 49 -4.203 11.892 4.656 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.954 10.212 4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.026 11.768 6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.635 10.216 6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.798 10.035 6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.056 11.292 7.404 1.00 0.00 H new ATOM 773 N ALA A 50 -4.759 8.646 4.378 1.00 0.00 N ATOM 774 CA ALA A 50 -5.401 7.452 3.883 1.00 0.00 C ATOM 775 C ALA A 50 -4.600 6.772 2.795 1.00 0.00 C ATOM 776 O ALA A 50 -4.009 5.722 3.015 1.00 0.00 O ATOM 777 CB ALA A 50 -6.776 7.815 3.332 1.00 0.00 C ATOM 0 H ALA A 50 -5.403 9.437 4.383 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.483 6.755 4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.266 6.917 2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.381 8.254 4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.665 8.534 2.520 1.00 0.00 H new ATOM 783 N PHE A 51 -4.654 7.311 1.581 1.00 0.00 N ATOM 784 CA PHE A 51 -4.008 6.652 0.461 1.00 0.00 C ATOM 785 C PHE A 51 -2.524 6.463 0.782 1.00 0.00 C ATOM 786 O PHE A 51 -1.985 5.408 0.493 1.00 0.00 O ATOM 787 CB PHE A 51 -4.266 7.386 -0.860 1.00 0.00 C ATOM 788 CG PHE A 51 -2.991 7.629 -1.663 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.181 8.745 -1.387 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.489 6.629 -2.518 1.00 0.00 C ATOM 791 CE1 PHE A 51 -0.884 8.832 -1.922 1.00 0.00 C ATOM 792 CE2 PHE A 51 -1.224 6.747 -3.109 1.00 0.00 C ATOM 793 CZ PHE A 51 -0.408 7.839 -2.790 1.00 0.00 C ATOM 0 H PHE A 51 -5.129 8.185 1.354 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.443 5.664 0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.964 6.805 -1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.746 8.342 -0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.558 9.540 -0.760 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.090 5.755 -2.722 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.251 9.668 -1.663 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.880 5.999 -3.808 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.584 7.916 -3.211 1.00 0.00 H new ATOM 803 N GLU A 52 -1.887 7.426 1.437 1.00 0.00 N ATOM 804 CA GLU A 52 -0.510 7.387 1.914 1.00 0.00 C ATOM 805 C GLU A 52 -0.307 6.210 2.876 1.00 0.00 C ATOM 806 O GLU A 52 0.634 5.439 2.685 1.00 0.00 O ATOM 807 CB GLU A 52 -0.292 8.751 2.578 1.00 0.00 C ATOM 808 CG GLU A 52 -0.195 9.876 1.527 1.00 0.00 C ATOM 809 CD GLU A 52 0.064 11.280 2.065 1.00 0.00 C ATOM 810 OE1 GLU A 52 0.034 11.496 3.296 1.00 0.00 O ATOM 811 OE2 GLU A 52 0.187 12.183 1.199 1.00 0.00 O ATOM 0 H GLU A 52 -2.346 8.308 1.663 1.00 0.00 H new ATOM 0 HA GLU A 52 0.217 7.225 1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.114 8.960 3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.621 8.727 3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.603 9.624 0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.124 9.893 0.957 1.00 0.00 H new ATOM 818 N LYS A 53 -1.230 5.920 3.802 1.00 0.00 N ATOM 819 CA LYS A 53 -1.154 4.679 4.568 1.00 0.00 C ATOM 820 C LYS A 53 -1.158 3.493 3.617 1.00 0.00 C ATOM 821 O LYS A 53 -0.444 2.529 3.877 1.00 0.00 O ATOM 822 CB LYS A 53 -2.306 4.515 5.571 1.00 0.00 C ATOM 823 CG LYS A 53 -2.121 5.201 6.919 1.00 0.00 C ATOM 824 CD LYS A 53 -1.401 4.371 7.996 1.00 0.00 C ATOM 825 CE LYS A 53 0.130 4.502 8.007 1.00 0.00 C ATOM 826 NZ LYS A 53 0.825 3.517 7.161 1.00 0.00 N ATOM 0 H LYS A 53 -2.023 6.519 4.033 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.227 4.722 5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.218 4.898 5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.460 3.450 5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.562 6.123 6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.102 5.484 7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.782 4.665 8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.659 3.321 7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.400 5.505 7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.485 4.399 9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.669 3.955 6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.111 2.702 7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.187 3.197 6.405 1.00 0.00 H new ATOM 840 N MET A 54 -1.940 3.543 2.535 1.00 0.00 N ATOM 841 CA MET A 54 -2.209 2.415 1.653 1.00 0.00 C ATOM 842 C MET A 54 -0.968 2.127 0.791 1.00 0.00 C ATOM 843 O MET A 54 -0.783 1.005 0.317 1.00 0.00 O ATOM 844 CB MET A 54 -3.463 2.684 0.792 1.00 0.00 C ATOM 845 CG MET A 54 -3.216 2.947 -0.701 1.00 0.00 C ATOM 846 SD MET A 54 -4.601 3.642 -1.619 1.00 0.00 S ATOM 847 CE MET A 54 -4.007 3.316 -3.295 1.00 0.00 C ATOM 0 H MET A 54 -2.415 4.397 2.244 1.00 0.00 H new ATOM 0 HA MET A 54 -2.418 1.528 2.250 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.131 1.828 0.883 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.987 3.544 1.209 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.367 3.624 -0.795 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.928 2.007 -1.172 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.223 4.175 -3.931 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.931 3.142 -3.272 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.509 2.434 -3.694 1.00 0.00 H new ATOM 857 N VAL A 55 -0.118 3.130 0.586 1.00 0.00 N ATOM 858 CA VAL A 55 1.186 3.012 -0.047 1.00 0.00 C ATOM 859 C VAL A 55 2.275 2.716 0.991 1.00 0.00 C ATOM 860 O VAL A 55 3.299 2.110 0.655 1.00 0.00 O ATOM 861 CB VAL A 55 1.429 4.275 -0.908 1.00 0.00 C ATOM 862 CG1 VAL A 55 0.656 4.108 -2.217 1.00 0.00 C ATOM 863 CG2 VAL A 55 1.154 5.657 -0.402 1.00 0.00 C ATOM 0 H VAL A 55 -0.331 4.086 0.870 1.00 0.00 H new ATOM 0 HA VAL A 55 1.222 2.157 -0.722 1.00 0.00 H new ATOM 0 HB VAL A 55 2.518 4.278 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.810 4.986 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.013 3.221 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.407 3.998 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.398 6.384 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.099 5.746 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.764 5.849 0.481 1.00 0.00 H new ATOM 873 N SER A 56 2.012 3.022 2.258 1.00 0.00 N ATOM 874 CA SER A 56 2.918 2.807 3.366 1.00 0.00 C ATOM 875 C SER A 56 2.942 1.345 3.807 1.00 0.00 C ATOM 876 O SER A 56 4.026 0.771 3.842 1.00 0.00 O ATOM 877 CB SER A 56 2.663 3.863 4.455 1.00 0.00 C ATOM 878 OG SER A 56 3.283 3.576 5.690 1.00 0.00 O ATOM 0 H SER A 56 1.128 3.442 2.545 1.00 0.00 H new ATOM 0 HA SER A 56 3.951 2.970 3.058 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.017 4.830 4.099 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.588 3.955 4.612 1.00 0.00 H new ATOM 0 HG SER A 56 3.460 4.412 6.169 1.00 0.00 H new ATOM 884 N LEU A 57 1.793 0.685 3.988 1.00 0.00 N ATOM 885 CA LEU A 57 1.714 -0.766 4.194 1.00 0.00 C ATOM 886 C LEU A 57 2.570 -1.513 3.184 1.00 0.00 C ATOM 887 O LEU A 57 3.439 -2.294 3.554 1.00 0.00 O ATOM 888 CB LEU A 57 0.276 -1.319 4.151 1.00 0.00 C ATOM 889 CG LEU A 57 -0.744 -0.610 3.230 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.272 -1.504 2.096 1.00 0.00 C ATOM 891 CD2 LEU A 57 -1.988 -0.226 4.045 1.00 0.00 C ATOM 0 H LEU A 57 0.883 1.147 3.996 1.00 0.00 H new ATOM 0 HA LEU A 57 2.096 -0.933 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.329 -2.365 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.120 -1.300 5.166 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.211 0.243 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.983 -0.942 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.440 -1.829 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.768 -2.376 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.708 0.274 3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.440 -1.125 4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.700 0.446 4.854 1.00 0.00 H new ATOM 903 N LEU A 58 2.346 -1.261 1.893 1.00 0.00 N ATOM 904 CA LEU A 58 3.080 -1.951 0.837 1.00 0.00 C ATOM 905 C LEU A 58 4.537 -1.475 0.698 1.00 0.00 C ATOM 906 O LEU A 58 5.257 -1.987 -0.157 1.00 0.00 O ATOM 907 CB LEU A 58 2.264 -1.943 -0.469 1.00 0.00 C ATOM 908 CG LEU A 58 1.736 -3.354 -0.811 1.00 0.00 C ATOM 909 CD1 LEU A 58 0.765 -3.938 0.236 1.00 0.00 C ATOM 910 CD2 LEU A 58 1.044 -3.336 -2.184 1.00 0.00 C ATOM 0 H LEU A 58 1.662 -0.584 1.556 1.00 0.00 H new ATOM 0 HA LEU A 58 3.194 -2.997 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.426 -1.253 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.886 -1.577 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 58 2.612 -4.003 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.442 -4.930 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.270 -4.011 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.104 -3.286 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.674 -4.334 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.209 -2.636 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.758 -3.025 -2.947 1.00 0.00 H new ATOM 922 N SER A 59 4.992 -0.529 1.515 1.00 0.00 N ATOM 923 CA SER A 59 6.408 -0.331 1.807 1.00 0.00 C ATOM 924 C SER A 59 6.946 -1.430 2.733 1.00 0.00 C ATOM 925 O SER A 59 7.869 -2.172 2.384 1.00 0.00 O ATOM 926 CB SER A 59 6.582 1.067 2.424 1.00 0.00 C ATOM 927 OG SER A 59 7.716 1.703 1.889 1.00 0.00 O ATOM 0 H SER A 59 4.381 0.129 1.998 1.00 0.00 H new ATOM 0 HA SER A 59 6.988 -0.396 0.886 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.695 1.670 2.231 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.681 0.984 3.506 1.00 0.00 H new ATOM 0 HG SER A 59 8.346 1.910 2.611 1.00 0.00 H new ATOM 933 N VAL A 60 6.315 -1.586 3.888 1.00 0.00 N ATOM 934 CA VAL A 60 6.820 -2.371 5.013 1.00 0.00 C ATOM 935 C VAL A 60 6.717 -3.862 4.694 1.00 0.00 C ATOM 936 O VAL A 60 7.693 -4.605 4.828 1.00 0.00 O ATOM 937 CB VAL A 60 6.065 -2.047 6.327 1.00 0.00 C ATOM 938 CG1 VAL A 60 7.021 -2.145 7.520 1.00 0.00 C ATOM 939 CG2 VAL A 60 5.361 -0.686 6.347 1.00 0.00 C ATOM 0 H VAL A 60 5.409 -1.158 4.077 1.00 0.00 H new ATOM 0 HA VAL A 60 7.866 -2.104 5.165 1.00 0.00 H new ATOM 0 HB VAL A 60 5.274 -2.794 6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.481 -1.916 8.439 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.426 -3.155 7.580 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.837 -1.434 7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.861 -0.549 7.306 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.096 0.106 6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.624 -0.646 5.545 1.00 0.00 H new ATOM 949 N LEU A 61 5.550 -4.295 4.213 1.00 0.00 N ATOM 950 CA LEU A 61 5.179 -5.678 3.925 1.00 0.00 C ATOM 951 C LEU A 61 6.099 -6.325 2.888 1.00 0.00 C ATOM 952 O LEU A 61 6.227 -7.547 2.858 1.00 0.00 O ATOM 953 CB LEU A 61 3.689 -5.637 3.523 1.00 0.00 C ATOM 954 CG LEU A 61 3.064 -6.685 2.582 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.602 -6.610 1.149 1.00 0.00 C ATOM 956 CD2 LEU A 61 3.047 -8.110 3.130 1.00 0.00 C ATOM 0 H LEU A 61 4.792 -3.646 4.001 1.00 0.00 H new ATOM 0 HA LEU A 61 5.308 -6.323 4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.114 -5.664 4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.514 -4.662 3.067 1.00 0.00 H new ATOM 0 HG LEU A 61 2.014 -6.397 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.121 -7.375 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.389 -5.626 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.679 -6.776 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.589 -8.776 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.068 -8.436 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.472 -8.137 4.055 1.00 0.00 H new ATOM 968 N LEU A 62 6.768 -5.541 2.038 1.00 0.00 N ATOM 969 CA LEU A 62 7.635 -6.090 1.000 1.00 0.00 C ATOM 970 C LEU A 62 8.783 -6.914 1.587 1.00 0.00 C ATOM 971 O LEU A 62 9.271 -7.812 0.907 1.00 0.00 O ATOM 972 CB LEU A 62 8.141 -4.970 0.082 1.00 0.00 C ATOM 973 CG LEU A 62 7.351 -4.795 -1.225 1.00 0.00 C ATOM 974 CD1 LEU A 62 7.779 -5.821 -2.270 1.00 0.00 C ATOM 975 CD2 LEU A 62 5.832 -4.893 -1.035 1.00 0.00 C ATOM 0 H LEU A 62 6.723 -4.522 2.051 1.00 0.00 H new ATOM 0 HA LEU A 62 7.044 -6.780 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.116 -4.030 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.184 -5.167 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 62 7.583 -3.787 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.203 -5.672 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.840 -5.699 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.600 -6.826 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.336 -4.760 -1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.579 -5.872 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.501 -4.116 -0.346 1.00 0.00 H new ATOM 987 N SER A 63 9.129 -6.673 2.852 1.00 0.00 N ATOM 988 CA SER A 63 10.142 -7.379 3.628 1.00 0.00 C ATOM 989 C SER A 63 10.081 -8.890 3.386 1.00 0.00 C ATOM 990 O SER A 63 10.958 -9.497 2.761 1.00 0.00 O ATOM 991 CB SER A 63 9.970 -7.015 5.116 1.00 0.00 C ATOM 992 OG SER A 63 8.598 -6.995 5.503 1.00 0.00 O ATOM 0 H SER A 63 8.680 -5.934 3.393 1.00 0.00 H new ATOM 0 HA SER A 63 11.135 -7.066 3.305 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.510 -7.735 5.731 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.415 -6.038 5.305 1.00 0.00 H new ATOM 0 HG SER A 63 8.228 -6.100 5.350 1.00 0.00 H new ATOM 998 N MET A 64 8.980 -9.469 3.846 1.00 0.00 N ATOM 999 CA MET A 64 8.634 -10.881 3.775 1.00 0.00 C ATOM 1000 C MET A 64 8.193 -11.300 2.378 1.00 0.00 C ATOM 1001 O MET A 64 8.291 -12.480 2.031 1.00 0.00 O ATOM 1002 CB MET A 64 7.491 -11.163 4.759 1.00 0.00 C ATOM 1003 CG MET A 64 6.229 -10.318 4.510 1.00 0.00 C ATOM 1004 SD MET A 64 4.924 -10.494 5.765 1.00 0.00 S ATOM 1005 CE MET A 64 4.835 -12.292 5.955 1.00 0.00 C ATOM 0 H MET A 64 8.254 -8.925 4.312 1.00 0.00 H new ATOM 0 HA MET A 64 9.526 -11.454 4.029 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.227 -12.219 4.700 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.845 -10.979 5.773 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.518 -9.269 4.454 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.816 -10.588 3.538 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.973 -12.551 6.570 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.734 -12.757 4.974 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.745 -12.653 6.435 1.00 0.00 H new ATOM 1015 N GLN A 65 7.683 -10.342 1.595 1.00 0.00 N ATOM 1016 CA GLN A 65 7.213 -10.591 0.246 1.00 0.00 C ATOM 1017 C GLN A 65 8.379 -11.045 -0.650 1.00 0.00 C ATOM 1018 O GLN A 65 8.154 -11.730 -1.650 1.00 0.00 O ATOM 1019 CB GLN A 65 6.597 -9.295 -0.297 1.00 0.00 C ATOM 1020 CG GLN A 65 5.452 -9.424 -1.303 1.00 0.00 C ATOM 1021 CD GLN A 65 5.782 -10.032 -2.668 1.00 0.00 C ATOM 1022 OE1 GLN A 65 5.060 -10.913 -3.132 1.00 0.00 O ATOM 1023 NE2 GLN A 65 6.793 -9.564 -3.380 1.00 0.00 N ATOM 0 H GLN A 65 7.588 -9.370 1.890 1.00 0.00 H new ATOM 0 HA GLN A 65 6.465 -11.384 0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.236 -8.713 0.551 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.392 -8.715 -0.765 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.668 -10.027 -0.846 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.035 -8.431 -1.468 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.392 -8.833 -2.996 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.974 -9.934 -4.313 1.00 0.00 H new ATOM 1032 N GLY A 66 9.608 -10.650 -0.293 1.00 0.00 N ATOM 1033 CA GLY A 66 10.827 -10.993 -1.005 1.00 0.00 C ATOM 1034 C GLY A 66 11.827 -9.839 -1.084 1.00 0.00 C ATOM 1035 O GLY A 66 12.663 -9.872 -1.987 1.00 0.00 O ATOM 0 H GLY A 66 9.777 -10.065 0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.301 -11.842 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.572 -11.313 -2.015 1.00 0.00 H new ATOM 1039 N ALA A 67 11.781 -8.827 -0.201 1.00 0.00 N ATOM 1040 CA ALA A 67 12.623 -7.636 -0.334 1.00 0.00 C ATOM 1041 C ALA A 67 13.433 -7.394 0.939 1.00 0.00 C ATOM 1042 O ALA A 67 12.929 -6.776 1.875 1.00 0.00 O ATOM 1043 CB ALA A 67 11.756 -6.422 -0.690 1.00 0.00 C ATOM 0 H ALA A 67 11.166 -8.815 0.613 1.00 0.00 H new ATOM 0 HA ALA A 67 13.336 -7.796 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.388 -5.539 -0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.242 -6.606 -1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.021 -6.256 0.098 1.00 0.00 H new ATOM 1049 N VAL A 68 14.684 -7.858 0.992 1.00 0.00 N ATOM 1050 CA VAL A 68 15.591 -7.582 2.115 1.00 0.00 C ATOM 1051 C VAL A 68 15.840 -6.077 2.282 1.00 0.00 C ATOM 1052 O VAL A 68 16.041 -5.589 3.396 1.00 0.00 O ATOM 1053 CB VAL A 68 16.898 -8.388 1.939 1.00 0.00 C ATOM 1054 CG1 VAL A 68 17.599 -8.165 0.590 1.00 0.00 C ATOM 1055 CG2 VAL A 68 17.905 -8.129 3.062 1.00 0.00 C ATOM 0 H VAL A 68 15.099 -8.435 0.260 1.00 0.00 H new ATOM 0 HA VAL A 68 15.120 -7.909 3.042 1.00 0.00 H new ATOM 0 HB VAL A 68 16.565 -9.425 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.507 -8.767 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.931 -8.459 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.857 -7.111 0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.804 -8.720 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 68 18.165 -7.071 3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.464 -8.411 4.018 1.00 0.00 H new ATOM 1065 N ASP A 69 15.795 -5.332 1.180 1.00 0.00 N ATOM 1066 CA ASP A 69 16.234 -3.953 1.081 1.00 0.00 C ATOM 1067 C ASP A 69 15.123 -3.207 0.365 1.00 0.00 C ATOM 1068 O ASP A 69 15.198 -2.957 -0.841 1.00 0.00 O ATOM 1069 CB ASP A 69 17.567 -3.871 0.303 1.00 0.00 C ATOM 1070 CG ASP A 69 18.826 -4.018 1.150 1.00 0.00 C ATOM 1071 OD1 ASP A 69 18.766 -4.531 2.288 1.00 0.00 O ATOM 1072 OD2 ASP A 69 19.891 -3.544 0.686 1.00 0.00 O ATOM 0 H ASP A 69 15.435 -5.694 0.297 1.00 0.00 H new ATOM 0 HA ASP A 69 16.420 -3.514 2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 69 17.571 -4.648 -0.462 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.608 -2.913 -0.216 1.00 0.00 H new ATOM 1077 N ILE A 70 14.066 -2.870 1.098 1.00 0.00 N ATOM 1078 CA ILE A 70 13.241 -1.721 0.793 1.00 0.00 C ATOM 1079 C ILE A 70 12.798 -1.001 2.069 1.00 0.00 C ATOM 1080 O ILE A 70 12.640 0.209 2.022 1.00 0.00 O ATOM 1081 CB ILE A 70 12.071 -2.108 -0.139 1.00 0.00 C ATOM 1082 CG1 ILE A 70 11.308 -0.895 -0.699 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.042 -3.032 0.516 1.00 0.00 C ATOM 1084 CD1 ILE A 70 12.250 0.065 -1.422 1.00 0.00 C ATOM 0 H ILE A 70 13.762 -3.391 1.920 1.00 0.00 H new ATOM 0 HA ILE A 70 13.840 -0.999 0.238 1.00 0.00 H new ATOM 0 HB ILE A 70 12.571 -2.637 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.533 -1.235 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.805 -0.372 0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.251 -3.260 -0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.529 -3.957 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.612 -2.538 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 70 11.682 0.912 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 70 13.009 0.423 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.733 -0.454 -2.250 1.00 0.00 H new ATOM 1096 N ASN A 71 12.653 -1.687 3.211 1.00 0.00 N ATOM 1097 CA ASN A 71 12.003 -1.144 4.405 1.00 0.00 C ATOM 1098 C ASN A 71 12.634 0.185 4.794 1.00 0.00 C ATOM 1099 O ASN A 71 11.978 1.219 4.720 1.00 0.00 O ATOM 1100 CB ASN A 71 12.038 -2.143 5.580 1.00 0.00 C ATOM 1101 CG ASN A 71 10.891 -1.923 6.557 1.00 0.00 C ATOM 1102 OD1 ASN A 71 10.006 -2.770 6.630 1.00 0.00 O ATOM 1103 ND2 ASN A 71 10.878 -0.839 7.318 1.00 0.00 N ATOM 0 H ASN A 71 12.988 -2.643 3.330 1.00 0.00 H new ATOM 0 HA ASN A 71 10.954 -0.971 4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.992 -3.160 5.191 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.986 -2.047 6.108 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.120 -0.693 7.985 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.626 -0.150 7.237 1.00 0.00 H new ATOM 1110 N ARG A 72 13.922 0.155 5.148 1.00 0.00 N ATOM 1111 CA ARG A 72 14.669 1.345 5.565 1.00 0.00 C ATOM 1112 C ARG A 72 14.836 2.318 4.412 1.00 0.00 C ATOM 1113 O ARG A 72 14.643 3.521 4.551 1.00 0.00 O ATOM 1114 CB ARG A 72 16.061 0.968 6.019 1.00 0.00 C ATOM 1115 CG ARG A 72 16.068 0.153 7.318 1.00 0.00 C ATOM 1116 CD ARG A 72 16.051 -1.374 7.149 1.00 0.00 C ATOM 1117 NE ARG A 72 17.073 -1.849 6.203 1.00 0.00 N ATOM 1118 CZ ARG A 72 16.965 -2.898 5.377 1.00 0.00 C ATOM 1119 NH1 ARG A 72 15.917 -3.715 5.435 1.00 0.00 N ATOM 1120 NH2 ARG A 72 17.902 -3.097 4.466 1.00 0.00 N ATOM 0 H ARG A 72 14.479 -0.700 5.153 1.00 0.00 H new ATOM 0 HA ARG A 72 14.101 1.803 6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.550 0.393 5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.648 1.875 6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.954 0.426 7.892 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.201 0.444 7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.212 -1.845 8.119 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.066 -1.687 6.802 1.00 0.00 H new ATOM 0 HE ARG A 72 17.950 -1.328 6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.177 -3.548 6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.853 -4.508 4.797 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.693 -2.456 4.399 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.834 -3.891 3.830 1.00 0.00 H new ATOM 1134 N LEU A 73 15.211 1.754 3.264 1.00 0.00 N ATOM 1135 CA LEU A 73 15.571 2.475 2.059 1.00 0.00 C ATOM 1136 C LEU A 73 14.412 3.374 1.633 1.00 0.00 C ATOM 1137 O LEU A 73 14.626 4.428 1.039 1.00 0.00 O ATOM 1138 CB LEU A 73 15.886 1.475 0.930 1.00 0.00 C ATOM 1139 CG LEU A 73 17.136 0.589 1.121 1.00 0.00 C ATOM 1140 CD1 LEU A 73 16.959 -0.496 2.196 1.00 0.00 C ATOM 1141 CD2 LEU A 73 17.486 -0.108 -0.196 1.00 0.00 C ATOM 0 H LEU A 73 15.272 0.742 3.151 1.00 0.00 H new ATOM 0 HA LEU A 73 16.451 3.087 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 73 15.022 0.823 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 73 16.003 2.035 0.002 1.00 0.00 H new ATOM 0 HG LEU A 73 17.931 1.260 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 73 17.875 -1.081 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 73 16.742 -0.026 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 73 16.134 -1.152 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 73 18.369 -0.731 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.649 -0.731 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.690 0.641 -0.961 1.00 0.00 H new ATOM 1153 N CYS A 74 13.184 2.958 1.930 1.00 0.00 N ATOM 1154 CA CYS A 74 11.988 3.644 1.501 1.00 0.00 C ATOM 1155 C CYS A 74 11.547 4.599 2.600 1.00 0.00 C ATOM 1156 O CYS A 74 10.976 5.629 2.259 1.00 0.00 O ATOM 1157 CB CYS A 74 10.911 2.616 1.140 1.00 0.00 C ATOM 1158 SG CYS A 74 9.653 3.325 0.040 1.00 0.00 S ATOM 0 H CYS A 74 12.999 2.122 2.484 1.00 0.00 H new ATOM 0 HA CYS A 74 12.176 4.236 0.605 1.00 0.00 H new ATOM 0 HB2 CYS A 74 11.375 1.756 0.657 1.00 0.00 H new ATOM 0 HB3 CYS A 74 10.435 2.251 2.050 1.00 0.00 H new ATOM 0 HG CYS A 74 8.482 2.866 0.368 1.00 0.00 H new ATOM 1164 N GLU A 75 11.836 4.314 3.882 1.00 0.00 N ATOM 1165 CA GLU A 75 11.563 5.224 4.999 1.00 0.00 C ATOM 1166 C GLU A 75 12.094 6.613 4.670 1.00 0.00 C ATOM 1167 O GLU A 75 11.413 7.609 4.864 1.00 0.00 O ATOM 1168 CB GLU A 75 12.108 4.703 6.333 1.00 0.00 C ATOM 1169 CG GLU A 75 11.459 3.370 6.744 1.00 0.00 C ATOM 1170 CD GLU A 75 10.826 3.409 8.128 1.00 0.00 C ATOM 1171 OE1 GLU A 75 11.582 3.526 9.117 1.00 0.00 O ATOM 1172 OE2 GLU A 75 9.584 3.264 8.226 1.00 0.00 O ATOM 0 H GLU A 75 12.269 3.437 4.170 1.00 0.00 H new ATOM 0 HA GLU A 75 10.482 5.283 5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 75 13.187 4.571 6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.932 5.446 7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.697 3.104 6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.214 2.584 6.719 1.00 0.00 H new ATOM 1179 N GLU A 76 13.264 6.668 4.045 1.00 0.00 N ATOM 1180 CA GLU A 76 13.917 7.931 3.710 1.00 0.00 C ATOM 1181 C GLU A 76 13.155 8.733 2.648 1.00 0.00 C ATOM 1182 O GLU A 76 13.295 9.953 2.569 1.00 0.00 O ATOM 1183 CB GLU A 76 15.368 7.684 3.259 1.00 0.00 C ATOM 1184 CG GLU A 76 16.239 8.771 3.892 1.00 0.00 C ATOM 1185 CD GLU A 76 17.653 8.883 3.343 1.00 0.00 C ATOM 1186 OE1 GLU A 76 18.357 7.852 3.224 1.00 0.00 O ATOM 1187 OE2 GLU A 76 18.111 10.027 3.122 1.00 0.00 O ATOM 0 H GLU A 76 13.787 5.841 3.756 1.00 0.00 H new ATOM 0 HA GLU A 76 13.919 8.534 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.703 6.695 3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.442 7.718 2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.741 9.732 3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 76 16.299 8.585 4.964 1.00 0.00 H new ATOM 1194 N MET A 77 12.342 8.067 1.832 1.00 0.00 N ATOM 1195 CA MET A 77 11.392 8.700 0.935 1.00 0.00 C ATOM 1196 C MET A 77 10.109 9.011 1.673 1.00 0.00 C ATOM 1197 O MET A 77 9.599 10.099 1.459 1.00 0.00 O ATOM 1198 CB MET A 77 11.144 7.827 -0.303 1.00 0.00 C ATOM 1199 CG MET A 77 12.190 8.067 -1.400 1.00 0.00 C ATOM 1200 SD MET A 77 13.924 7.714 -0.988 1.00 0.00 S ATOM 1201 CE MET A 77 14.729 8.375 -2.473 1.00 0.00 C ATOM 0 H MET A 77 12.329 7.048 1.778 1.00 0.00 H new ATOM 0 HA MET A 77 11.811 9.642 0.582 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.158 6.776 -0.013 1.00 0.00 H new ATOM 0 HB3 MET A 77 10.150 8.035 -0.699 1.00 0.00 H new ATOM 0 HG2 MET A 77 11.918 7.461 -2.264 1.00 0.00 H new ATOM 0 HG3 MET A 77 12.122 9.110 -1.709 1.00 0.00 H new ATOM 0 HE1 MET A 77 15.808 8.242 -2.392 1.00 0.00 H new ATOM 0 HE2 MET A 77 14.363 7.845 -3.352 1.00 0.00 H new ATOM 0 HE3 MET A 77 14.501 9.437 -2.569 1.00 0.00 H new ATOM 1211 N LEU A 78 9.553 8.091 2.460 1.00 0.00 N ATOM 1212 CA LEU A 78 8.163 8.159 2.905 1.00 0.00 C ATOM 1213 C LEU A 78 7.960 9.010 4.144 1.00 0.00 C ATOM 1214 O LEU A 78 7.058 9.842 4.179 1.00 0.00 O ATOM 1215 CB LEU A 78 7.556 6.775 2.971 1.00 0.00 C ATOM 1216 CG LEU A 78 8.099 5.908 4.104 1.00 0.00 C ATOM 1217 CD1 LEU A 78 7.094 5.938 5.235 1.00 0.00 C ATOM 1218 CD2 LEU A 78 8.399 4.478 3.634 1.00 0.00 C ATOM 0 H LEU A 78 10.056 7.275 2.808 1.00 0.00 H new ATOM 0 HA LEU A 78 7.597 8.703 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.476 6.869 3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.733 6.267 2.023 1.00 0.00 H new ATOM 0 HG LEU A 78 9.052 6.306 4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.457 5.325 6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.961 6.965 5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.140 5.546 4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.783 3.893 4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.484 4.018 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.143 4.505 2.838 1.00 0.00 H new ATOM 1230 N ASP A 79 8.880 8.899 5.087 1.00 0.00 N ATOM 1231 CA ASP A 79 8.983 9.853 6.184 1.00 0.00 C ATOM 1232 C ASP A 79 9.202 11.228 5.566 1.00 0.00 C ATOM 1233 O ASP A 79 8.434 12.152 5.787 1.00 0.00 O ATOM 1234 CB ASP A 79 10.132 9.520 7.143 1.00 0.00 C ATOM 1235 CG ASP A 79 9.765 8.452 8.170 1.00 0.00 C ATOM 1236 OD1 ASP A 79 9.625 7.262 7.823 1.00 0.00 O ATOM 1237 OD2 ASP A 79 9.634 8.806 9.370 1.00 0.00 O ATOM 0 H ASP A 79 9.573 8.151 5.117 1.00 0.00 H new ATOM 0 HA ASP A 79 8.069 9.819 6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.992 9.180 6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.437 10.427 7.664 1.00 0.00 H new ATOM 1242 N ASN A 80 10.201 11.373 4.698 1.00 0.00 N ATOM 1243 CA ASN A 80 10.506 12.676 4.111 1.00 0.00 C ATOM 1244 C ASN A 80 9.499 13.118 3.037 1.00 0.00 C ATOM 1245 O ASN A 80 9.633 14.220 2.508 1.00 0.00 O ATOM 1246 CB ASN A 80 11.915 12.642 3.532 1.00 0.00 C ATOM 1247 CG ASN A 80 12.534 14.025 3.338 1.00 0.00 C ATOM 1248 OD1 ASN A 80 12.199 14.996 4.019 1.00 0.00 O ATOM 1249 ND2 ASN A 80 13.494 14.152 2.438 1.00 0.00 N ATOM 0 H ASN A 80 10.807 10.613 4.388 1.00 0.00 H new ATOM 0 HA ASN A 80 10.434 13.415 4.909 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.555 12.057 4.192 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.891 12.127 2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.956 15.052 2.308 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.773 13.350 1.873 1.00 0.00 H new ATOM 1256 N ARG A 81 8.508 12.293 2.678 1.00 0.00 N ATOM 1257 CA ARG A 81 7.550 12.599 1.616 1.00 0.00 C ATOM 1258 C ARG A 81 6.713 13.767 2.106 1.00 0.00 C ATOM 1259 O ARG A 81 6.594 14.783 1.426 1.00 0.00 O ATOM 1260 CB ARG A 81 6.641 11.409 1.273 1.00 0.00 C ATOM 1261 CG ARG A 81 6.825 10.881 -0.159 1.00 0.00 C ATOM 1262 CD ARG A 81 6.912 9.361 -0.124 1.00 0.00 C ATOM 1263 NE ARG A 81 6.823 8.794 -1.473 1.00 0.00 N ATOM 1264 CZ ARG A 81 6.223 7.664 -1.861 1.00 0.00 C ATOM 1265 NH1 ARG A 81 5.694 6.797 -0.997 1.00 0.00 N ATOM 1266 NH2 ARG A 81 6.179 7.414 -3.163 1.00 0.00 N ATOM 0 H ARG A 81 8.350 11.388 3.122 1.00 0.00 H new ATOM 0 HA ARG A 81 8.091 12.837 0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.836 10.600 1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.601 11.706 1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 81 5.990 11.195 -0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.730 11.299 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.851 9.058 0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 81 6.108 8.962 0.495 1.00 0.00 H new ATOM 0 HE ARG A 81 7.278 9.331 -2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.738 6.984 0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.245 5.947 -1.338 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.593 8.072 -3.823 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.731 6.564 -3.504 1.00 0.00 H new ATOM 1280 N ALA A 82 6.126 13.580 3.292 1.00 0.00 N ATOM 1281 CA ALA A 82 5.167 14.487 3.896 1.00 0.00 C ATOM 1282 C ALA A 82 5.186 14.388 5.428 1.00 0.00 C ATOM 1283 O ALA A 82 4.192 14.769 6.047 1.00 0.00 O ATOM 1284 CB ALA A 82 3.766 14.183 3.334 1.00 0.00 C ATOM 0 H ALA A 82 6.317 12.763 3.871 1.00 0.00 H new ATOM 0 HA ALA A 82 5.441 15.512 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.039 14.860 3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.770 14.320 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.496 13.153 3.568 1.00 0.00 H new ATOM 1290 N THR A 83 6.257 13.837 6.026 1.00 0.00 N ATOM 1291 CA THR A 83 6.427 13.597 7.469 1.00 0.00 C ATOM 1292 C THR A 83 5.330 12.731 8.098 1.00 0.00 C ATOM 1293 O THR A 83 5.199 12.696 9.324 1.00 0.00 O ATOM 1294 CB THR A 83 6.781 14.904 8.207 1.00 0.00 C ATOM 1295 OG1 THR A 83 5.789 15.909 8.120 1.00 0.00 O ATOM 1296 CG2 THR A 83 8.101 15.455 7.663 1.00 0.00 C ATOM 0 H THR A 83 7.068 13.532 5.488 1.00 0.00 H new ATOM 0 HA THR A 83 7.297 12.953 7.600 1.00 0.00 H new ATOM 0 HB THR A 83 6.861 14.641 9.262 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.056 15.597 7.549 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.352 16.379 8.184 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.893 14.723 7.820 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.999 15.656 6.597 1.00 0.00 H new ATOM 1304 N LEU A 84 4.559 12.022 7.267 1.00 0.00 N ATOM 1305 CA LEU A 84 3.322 11.353 7.661 1.00 0.00 C ATOM 1306 C LEU A 84 2.975 10.199 6.717 1.00 0.00 C ATOM 1307 O LEU A 84 2.343 9.232 7.142 1.00 0.00 O ATOM 1308 CB LEU A 84 2.188 12.400 7.665 1.00 0.00 C ATOM 1309 CG LEU A 84 1.254 12.349 8.886 1.00 0.00 C ATOM 1310 CD1 LEU A 84 1.977 12.551 10.228 1.00 0.00 C ATOM 1311 CD2 LEU A 84 0.211 13.471 8.754 1.00 0.00 C ATOM 0 H LEU A 84 4.786 11.897 6.280 1.00 0.00 H new ATOM 0 HA LEU A 84 3.451 10.923 8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.632 13.394 7.609 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.589 12.267 6.764 1.00 0.00 H new ATOM 0 HG LEU A 84 0.810 11.354 8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.254 12.502 11.042 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.725 11.769 10.360 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.466 13.525 10.235 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.459 13.448 9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.717 14.436 8.715 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.365 13.326 7.840 1.00 0.00 H new ATOM 1323 N GLN A 85 3.398 10.312 5.454 1.00 0.00 N ATOM 1324 CA GLN A 85 3.260 9.309 4.401 1.00 0.00 C ATOM 1325 C GLN A 85 4.041 8.021 4.713 1.00 0.00 C ATOM 1326 O GLN A 85 4.026 7.088 3.880 1.00 0.00 O ATOM 1327 CB GLN A 85 3.650 9.968 3.056 1.00 0.00 C ATOM 1328 CG GLN A 85 3.454 9.041 1.853 1.00 0.00 C ATOM 1329 CD GLN A 85 3.315 9.672 0.470 1.00 0.00 C ATOM 1330 OE1 GLN A 85 3.371 10.881 0.250 1.00 0.00 O ATOM 1331 NE2 GLN A 85 3.147 8.817 -0.525 1.00 0.00 N ATOM 0 H GLN A 85 3.871 11.153 5.124 1.00 0.00 H new ATOM 0 HA GLN A 85 2.224 8.975 4.335 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.054 10.869 2.914 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.693 10.280 3.100 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.299 8.353 1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.562 8.442 2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.102 7.816 -0.335 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.063 9.159 -1.482 1.00 0.00 H new