USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 643 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 12 THR OG1 : rot -162:sc= 0.751 USER MOD Set 1.2: A 14 THR OG1 : rot -30:sc= 0.999 USER MOD Single : A 1 GLY N :NH3+ -144:sc= -0.0083 (180deg=-0.532) USER MOD Single : A 5 SER OG : rot -101:sc= 1.37 USER MOD Single : A 6 MET CE :methyl -123:sc= -0.662 (180deg=-4.17!) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0525 USER MOD Single : A 19 THR OG1 : rot -83:sc= 1.05 USER MOD Single : A 24 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.29) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= -0.454 (180deg=-0.621) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00915) USER MOD Single : A 45 GLN : amide:sc= -0.368 K(o=-0.37,f=-1.3) USER MOD Single : A 46 GLN : amide:sc= -1.16 K(o=-1.2,f=-7.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 58 SER OG : rot -42:sc= 0.576 USER MOD Single : A 59 ASN : amide:sc= -0.484 X(o=-0.48,f=0) USER MOD Single : A 61 MET CE :methyl -149:sc= -3.97! (180deg=-6.88!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.72) USER MOD Single : A 67 GLN : amide:sc= -2.43 K(o=-2.4,f=-5.9!) USER MOD Single : A 68 LYS NZ :NH3+ 154:sc= -0.191 (180deg=-0.774) USER MOD Single : A 70 SER OG : rot 180:sc= -0.89 USER MOD Single : A 71 THR OG1 : rot 47:sc= 0.0221 USER MOD Single : A 73 HIS : no HD1:sc= -0.62 K(o=-0.62,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.130 -4.109 -7.524 1.00 14.41 N ATOM 2 CA GLY A 1 -14.030 -3.547 -6.762 1.00 52.24 C ATOM 3 C GLY A 1 -13.407 -2.345 -7.444 1.00 53.22 C ATOM 4 O GLY A 1 -12.323 -2.425 -8.023 1.00 13.15 O ATOM 0 H1 GLY A 1 -15.865 -4.450 -6.872 1.00 14.41 H new ATOM 0 H2 GLY A 1 -15.530 -3.378 -8.146 1.00 14.41 H new ATOM 0 H3 GLY A 1 -14.784 -4.902 -8.100 1.00 14.41 H new ATOM 0 HA2 GLY A 1 -14.388 -3.256 -5.774 1.00 52.24 H new ATOM 0 HA3 GLY A 1 -13.268 -4.312 -6.612 1.00 52.24 H new ATOM 8 N PRO A 2 -14.102 -1.199 -7.382 1.00 44.25 N ATOM 9 CA PRO A 2 -13.630 0.047 -7.995 1.00 25.34 C ATOM 10 C PRO A 2 -12.420 0.626 -7.270 1.00 45.40 C ATOM 11 O PRO A 2 -12.521 1.064 -6.123 1.00 23.31 O ATOM 12 CB PRO A 2 -14.832 0.985 -7.863 1.00 21.33 C ATOM 13 CG PRO A 2 -15.595 0.460 -6.696 1.00 12.43 C ATOM 14 CD PRO A 2 -15.401 -1.031 -6.710 1.00 3.32 C ATOM 0 HA PRO A 2 -13.301 -0.103 -9.023 1.00 25.34 H new ATOM 0 HB2 PRO A 2 -14.515 2.015 -7.698 1.00 21.33 H new ATOM 0 HB3 PRO A 2 -15.439 0.980 -8.768 1.00 21.33 H new ATOM 0 HG2 PRO A 2 -15.229 0.892 -5.765 1.00 12.43 H new ATOM 0 HG3 PRO A 2 -16.652 0.717 -6.773 1.00 12.43 H new ATOM 0 HD2 PRO A 2 -15.388 -1.444 -5.701 1.00 3.32 H new ATOM 0 HD3 PRO A 2 -16.202 -1.535 -7.251 1.00 3.32 H new ATOM 22 N LEU A 3 -11.276 0.628 -7.946 1.00 21.32 N ATOM 23 CA LEU A 3 -10.045 1.155 -7.366 1.00 73.21 C ATOM 24 C LEU A 3 -8.940 1.236 -8.415 1.00 35.43 C ATOM 25 O LEU A 3 -8.731 0.299 -9.184 1.00 71.21 O ATOM 26 CB LEU A 3 -9.592 0.278 -6.198 1.00 30.33 C ATOM 27 CG LEU A 3 -9.307 -1.188 -6.529 1.00 52.45 C ATOM 28 CD1 LEU A 3 -7.859 -1.366 -6.959 1.00 12.04 C ATOM 29 CD2 LEU A 3 -9.625 -2.076 -5.336 1.00 20.23 C ATOM 0 H LEU A 3 -11.175 0.271 -8.896 1.00 21.32 H new ATOM 0 HA LEU A 3 -10.247 2.161 -6.999 1.00 73.21 H new ATOM 0 HB2 LEU A 3 -8.690 0.715 -5.771 1.00 30.33 H new ATOM 0 HB3 LEU A 3 -10.360 0.312 -5.425 1.00 30.33 H new ATOM 0 HG LEU A 3 -9.949 -1.485 -7.358 1.00 52.45 H new ATOM 0 HD11 LEU A 3 -7.675 -2.415 -7.190 1.00 12.04 H new ATOM 0 HD12 LEU A 3 -7.665 -0.760 -7.844 1.00 12.04 H new ATOM 0 HD13 LEU A 3 -7.198 -1.051 -6.151 1.00 12.04 H new ATOM 0 HD21 LEU A 3 -9.416 -3.115 -5.590 1.00 20.23 H new ATOM 0 HD22 LEU A 3 -9.009 -1.779 -4.487 1.00 20.23 H new ATOM 0 HD23 LEU A 3 -10.678 -1.971 -5.075 1.00 20.23 H new ATOM 41 N GLY A 4 -8.234 2.362 -8.438 1.00 12.05 N ATOM 42 CA GLY A 4 -7.158 2.543 -9.394 1.00 1.51 C ATOM 43 C GLY A 4 -6.348 3.796 -9.124 1.00 63.11 C ATOM 44 O GLY A 4 -5.897 4.022 -8.001 1.00 64.33 O ATOM 0 H GLY A 4 -8.388 3.152 -7.812 1.00 12.05 H new ATOM 0 HA2 GLY A 4 -6.500 1.675 -9.364 1.00 1.51 H new ATOM 0 HA3 GLY A 4 -7.574 2.593 -10.400 1.00 1.51 H new ATOM 48 N SER A 5 -6.161 4.612 -10.157 1.00 21.23 N ATOM 49 CA SER A 5 -5.394 5.846 -10.027 1.00 74.41 C ATOM 50 C SER A 5 -6.297 7.005 -9.618 1.00 12.51 C ATOM 51 O SER A 5 -6.175 7.543 -8.518 1.00 5.41 O ATOM 52 CB SER A 5 -4.689 6.174 -11.344 1.00 72.55 C ATOM 53 OG SER A 5 -3.513 6.932 -11.119 1.00 35.44 O ATOM 0 H SER A 5 -6.530 4.441 -11.092 1.00 21.23 H new ATOM 0 HA SER A 5 -4.645 5.699 -9.249 1.00 74.41 H new ATOM 0 HB2 SER A 5 -4.436 5.250 -11.864 1.00 72.55 H new ATOM 0 HB3 SER A 5 -5.365 6.730 -11.993 1.00 72.55 H new ATOM 0 HG SER A 5 -3.691 7.877 -11.310 1.00 35.44 H new ATOM 59 N MET A 6 -7.204 7.385 -10.512 1.00 40.22 N ATOM 60 CA MET A 6 -8.129 8.481 -10.244 1.00 62.54 C ATOM 61 C MET A 6 -9.472 8.237 -10.926 1.00 23.14 C ATOM 62 O MET A 6 -9.698 7.177 -11.508 1.00 72.03 O ATOM 63 CB MET A 6 -7.534 9.807 -10.723 1.00 33.45 C ATOM 64 CG MET A 6 -6.818 9.705 -12.059 1.00 62.43 C ATOM 65 SD MET A 6 -5.033 9.519 -11.878 1.00 54.04 S ATOM 66 CE MET A 6 -4.505 11.229 -11.958 1.00 34.35 C ATOM 0 H MET A 6 -7.318 6.951 -11.428 1.00 40.22 H new ATOM 0 HA MET A 6 -8.292 8.532 -9.167 1.00 62.54 H new ATOM 0 HB2 MET A 6 -8.332 10.546 -10.803 1.00 33.45 H new ATOM 0 HB3 MET A 6 -6.834 10.174 -9.972 1.00 33.45 H new ATOM 0 HG2 MET A 6 -7.213 8.855 -12.615 1.00 62.43 H new ATOM 0 HG3 MET A 6 -7.029 10.597 -12.649 1.00 62.43 H new ATOM 0 HE1 MET A 6 -3.786 11.350 -12.768 1.00 34.35 H new ATOM 0 HE2 MET A 6 -5.369 11.868 -12.141 1.00 34.35 H new ATOM 0 HE3 MET A 6 -4.039 11.510 -11.014 1.00 34.35 H new ATOM 76 N GLN A 7 -10.358 9.225 -10.847 1.00 63.42 N ATOM 77 CA GLN A 7 -11.678 9.115 -11.456 1.00 13.52 C ATOM 78 C GLN A 7 -12.079 10.426 -12.126 1.00 63.40 C ATOM 79 O GLN A 7 -11.556 11.490 -11.792 1.00 72.43 O ATOM 80 CB GLN A 7 -12.718 8.729 -10.403 1.00 11.15 C ATOM 81 CG GLN A 7 -12.232 7.668 -9.428 1.00 50.14 C ATOM 82 CD GLN A 7 -13.196 7.444 -8.280 1.00 55.14 C ATOM 83 OE1 GLN A 7 -14.345 7.885 -8.325 1.00 34.04 O ATOM 84 NE2 GLN A 7 -12.734 6.755 -7.244 1.00 5.53 N ATOM 0 H GLN A 7 -10.186 10.109 -10.368 1.00 63.42 H new ATOM 0 HA GLN A 7 -11.635 8.336 -12.217 1.00 13.52 H new ATOM 0 HB2 GLN A 7 -13.005 9.620 -9.844 1.00 11.15 H new ATOM 0 HB3 GLN A 7 -13.614 8.365 -10.906 1.00 11.15 H new ATOM 0 HG2 GLN A 7 -12.085 6.729 -9.962 1.00 50.14 H new ATOM 0 HG3 GLN A 7 -11.261 7.963 -9.030 1.00 50.14 H new ATOM 0 HE21 GLN A 7 -11.775 6.408 -7.249 1.00 5.53 H new ATOM 0 HE22 GLN A 7 -13.338 6.572 -6.443 1.00 5.53 H new ATOM 93 N ILE A 8 -13.008 10.341 -13.072 1.00 63.42 N ATOM 94 CA ILE A 8 -13.478 11.520 -13.788 1.00 70.23 C ATOM 95 C ILE A 8 -15.001 11.591 -13.790 1.00 33.13 C ATOM 96 O ILE A 8 -15.681 10.571 -13.671 1.00 12.33 O ATOM 97 CB ILE A 8 -12.973 11.533 -15.243 1.00 54.33 C ATOM 98 CG1 ILE A 8 -12.115 10.297 -15.520 1.00 3.52 C ATOM 99 CG2 ILE A 8 -12.185 12.805 -15.519 1.00 11.13 C ATOM 100 CD1 ILE A 8 -11.730 10.142 -16.975 1.00 35.24 C ATOM 0 H ILE A 8 -13.450 9.468 -13.360 1.00 63.42 H new ATOM 0 HA ILE A 8 -13.077 12.388 -13.265 1.00 70.23 H new ATOM 0 HB ILE A 8 -13.834 11.510 -15.911 1.00 54.33 H new ATOM 0 HG12 ILE A 8 -11.209 10.351 -14.917 1.00 3.52 H new ATOM 0 HG13 ILE A 8 -12.659 9.408 -15.200 1.00 3.52 H new ATOM 0 HG21 ILE A 8 -11.835 12.799 -16.551 1.00 11.13 H new ATOM 0 HG22 ILE A 8 -12.826 13.672 -15.358 1.00 11.13 H new ATOM 0 HG23 ILE A 8 -11.329 12.856 -14.846 1.00 11.13 H new ATOM 0 HD11 ILE A 8 -11.123 9.245 -17.097 1.00 35.24 H new ATOM 0 HD12 ILE A 8 -12.631 10.056 -17.583 1.00 35.24 H new ATOM 0 HD13 ILE A 8 -11.159 11.013 -17.295 1.00 35.24 H new ATOM 112 N PHE A 9 -15.532 12.802 -13.927 1.00 25.41 N ATOM 113 CA PHE A 9 -16.975 13.006 -13.945 1.00 52.40 C ATOM 114 C PHE A 9 -17.451 13.401 -15.340 1.00 72.52 C ATOM 115 O PHE A 9 -16.954 14.360 -15.930 1.00 53.10 O ATOM 116 CB PHE A 9 -17.371 14.085 -12.935 1.00 53.40 C ATOM 117 CG PHE A 9 -18.024 13.538 -11.698 1.00 70.00 C ATOM 118 CD1 PHE A 9 -19.246 12.889 -11.773 1.00 0.23 C ATOM 119 CD2 PHE A 9 -17.416 13.673 -10.460 1.00 62.34 C ATOM 120 CE1 PHE A 9 -19.849 12.384 -10.636 1.00 73.13 C ATOM 121 CE2 PHE A 9 -18.014 13.169 -9.321 1.00 10.22 C ATOM 122 CZ PHE A 9 -19.233 12.525 -9.409 1.00 3.14 C ATOM 0 H PHE A 9 -14.984 13.656 -14.027 1.00 25.41 H new ATOM 0 HA PHE A 9 -17.453 12.066 -13.669 1.00 52.40 H new ATOM 0 HB2 PHE A 9 -16.482 14.647 -12.649 1.00 53.40 H new ATOM 0 HB3 PHE A 9 -18.052 14.788 -13.415 1.00 53.40 H new ATOM 0 HD1 PHE A 9 -19.733 12.776 -12.730 1.00 0.23 H new ATOM 0 HD2 PHE A 9 -16.464 14.178 -10.385 1.00 62.34 H new ATOM 0 HE1 PHE A 9 -20.801 11.880 -10.708 1.00 73.13 H new ATOM 0 HE2 PHE A 9 -17.529 13.278 -8.362 1.00 10.22 H new ATOM 0 HZ PHE A 9 -19.703 12.133 -8.519 1.00 3.14 H new ATOM 132 N VAL A 10 -18.417 12.652 -15.863 1.00 35.13 N ATOM 133 CA VAL A 10 -18.962 12.922 -17.188 1.00 1.20 C ATOM 134 C VAL A 10 -20.435 13.308 -17.109 1.00 23.31 C ATOM 135 O VAL A 10 -21.242 12.599 -16.507 1.00 53.43 O ATOM 136 CB VAL A 10 -18.811 11.702 -18.116 1.00 40.32 C ATOM 137 CG1 VAL A 10 -18.829 12.135 -19.574 1.00 44.23 C ATOM 138 CG2 VAL A 10 -17.534 10.942 -17.793 1.00 22.14 C ATOM 0 H VAL A 10 -18.838 11.853 -15.389 1.00 35.13 H new ATOM 0 HA VAL A 10 -18.393 13.755 -17.600 1.00 1.20 H new ATOM 0 HB VAL A 10 -19.656 11.034 -17.950 1.00 40.32 H new ATOM 0 HG11 VAL A 10 -18.721 11.260 -20.215 1.00 44.23 H new ATOM 0 HG12 VAL A 10 -19.774 12.632 -19.794 1.00 44.23 H new ATOM 0 HG13 VAL A 10 -18.005 12.824 -19.759 1.00 44.23 H new ATOM 0 HG21 VAL A 10 -17.444 10.083 -18.458 1.00 22.14 H new ATOM 0 HG22 VAL A 10 -16.675 11.599 -17.930 1.00 22.14 H new ATOM 0 HG23 VAL A 10 -17.567 10.598 -16.759 1.00 22.14 H new ATOM 148 N LYS A 11 -20.779 14.436 -17.721 1.00 20.30 N ATOM 149 CA LYS A 11 -22.155 14.917 -17.723 1.00 35.45 C ATOM 150 C LYS A 11 -22.798 14.722 -19.092 1.00 73.20 C ATOM 151 O LYS A 11 -22.395 15.346 -20.074 1.00 5.01 O ATOM 152 CB LYS A 11 -22.201 16.396 -17.332 1.00 32.54 C ATOM 153 CG LYS A 11 -23.536 17.060 -17.621 1.00 41.20 C ATOM 154 CD LYS A 11 -23.524 18.528 -17.229 1.00 54.21 C ATOM 155 CE LYS A 11 -23.214 19.421 -18.421 1.00 25.22 C ATOM 156 NZ LYS A 11 -23.396 20.863 -18.096 1.00 61.32 N ATOM 0 H LYS A 11 -20.123 15.035 -18.222 1.00 20.30 H new ATOM 0 HA LYS A 11 -22.717 14.336 -16.991 1.00 35.45 H new ATOM 0 HB2 LYS A 11 -21.981 16.489 -16.268 1.00 32.54 H new ATOM 0 HB3 LYS A 11 -21.416 16.929 -17.868 1.00 32.54 H new ATOM 0 HG2 LYS A 11 -23.767 16.968 -18.682 1.00 41.20 H new ATOM 0 HG3 LYS A 11 -24.326 16.543 -17.076 1.00 41.20 H new ATOM 0 HD2 LYS A 11 -24.492 18.802 -16.810 1.00 54.21 H new ATOM 0 HD3 LYS A 11 -22.781 18.691 -16.448 1.00 54.21 H new ATOM 0 HE2 LYS A 11 -22.188 19.249 -18.747 1.00 25.22 H new ATOM 0 HE3 LYS A 11 -23.863 19.152 -19.255 1.00 25.22 H new ATOM 0 HZ1 LYS A 11 -23.175 21.438 -18.934 1.00 61.32 H new ATOM 0 HZ2 LYS A 11 -24.381 21.033 -17.810 1.00 61.32 H new ATOM 0 HZ3 LYS A 11 -22.759 21.126 -17.317 1.00 61.32 H new ATOM 170 N THR A 12 -23.803 13.853 -19.151 1.00 64.33 N ATOM 171 CA THR A 12 -24.501 13.576 -20.400 1.00 14.20 C ATOM 172 C THR A 12 -25.407 14.738 -20.792 1.00 40.01 C ATOM 173 O THR A 12 -25.770 15.565 -19.955 1.00 54.31 O ATOM 174 CB THR A 12 -25.347 12.293 -20.298 1.00 70.32 C ATOM 175 OG1 THR A 12 -26.496 12.527 -19.477 1.00 14.11 O ATOM 176 CG2 THR A 12 -24.528 11.149 -19.718 1.00 42.55 C ATOM 0 H THR A 12 -24.151 13.329 -18.348 1.00 64.33 H new ATOM 0 HA THR A 12 -23.737 13.439 -21.166 1.00 14.20 H new ATOM 0 HB THR A 12 -25.669 12.016 -21.302 1.00 70.32 H new ATOM 0 HG1 THR A 12 -26.868 11.669 -19.182 1.00 14.11 H new ATOM 0 HG21 THR A 12 -25.147 10.254 -19.656 1.00 42.55 H new ATOM 0 HG22 THR A 12 -23.670 10.953 -20.361 1.00 42.55 H new ATOM 0 HG23 THR A 12 -24.180 11.420 -18.721 1.00 42.55 H new ATOM 184 N LEU A 13 -25.769 14.795 -22.069 1.00 31.30 N ATOM 185 CA LEU A 13 -26.634 15.856 -22.573 1.00 11.15 C ATOM 186 C LEU A 13 -27.972 15.861 -21.841 1.00 35.21 C ATOM 187 O LEU A 13 -28.697 16.857 -21.854 1.00 61.33 O ATOM 188 CB LEU A 13 -26.862 15.685 -24.075 1.00 51.24 C ATOM 189 CG LEU A 13 -27.507 16.870 -24.796 1.00 3.15 C ATOM 190 CD1 LEU A 13 -26.454 17.899 -25.178 1.00 12.22 C ATOM 191 CD2 LEU A 13 -28.265 16.397 -26.027 1.00 51.32 C ATOM 0 H LEU A 13 -25.477 14.119 -22.774 1.00 31.30 H new ATOM 0 HA LEU A 13 -26.139 16.810 -22.394 1.00 11.15 H new ATOM 0 HB2 LEU A 13 -25.901 15.478 -24.547 1.00 51.24 H new ATOM 0 HB3 LEU A 13 -27.489 14.807 -24.229 1.00 51.24 H new ATOM 0 HG LEU A 13 -28.217 17.342 -24.117 1.00 3.15 H new ATOM 0 HD11 LEU A 13 -26.931 18.735 -25.690 1.00 12.22 H new ATOM 0 HD12 LEU A 13 -25.956 18.261 -24.279 1.00 12.22 H new ATOM 0 HD13 LEU A 13 -25.720 17.440 -25.840 1.00 12.22 H new ATOM 0 HD21 LEU A 13 -28.717 17.253 -26.527 1.00 51.32 H new ATOM 0 HD22 LEU A 13 -27.576 15.900 -26.710 1.00 51.32 H new ATOM 0 HD23 LEU A 13 -29.046 15.698 -25.727 1.00 51.32 H new ATOM 203 N THR A 14 -28.295 14.741 -21.200 1.00 40.42 N ATOM 204 CA THR A 14 -29.545 14.616 -20.462 1.00 13.41 C ATOM 205 C THR A 14 -29.377 15.067 -19.016 1.00 11.55 C ATOM 206 O THR A 14 -30.284 14.916 -18.198 1.00 53.44 O ATOM 207 CB THR A 14 -30.065 13.166 -20.478 1.00 41.44 C ATOM 208 OG1 THR A 14 -29.242 12.341 -19.646 1.00 44.55 O ATOM 209 CG2 THR A 14 -30.079 12.613 -21.895 1.00 70.32 C ATOM 0 H THR A 14 -27.707 13.908 -21.178 1.00 40.42 H new ATOM 0 HA THR A 14 -30.271 15.260 -20.959 1.00 13.41 H new ATOM 0 HB THR A 14 -31.085 13.164 -20.094 1.00 41.44 H new ATOM 0 HG1 THR A 14 -28.328 12.695 -19.636 1.00 44.55 H new ATOM 0 HG21 THR A 14 -30.450 11.588 -21.882 1.00 70.32 H new ATOM 0 HG22 THR A 14 -30.730 13.226 -22.518 1.00 70.32 H new ATOM 0 HG23 THR A 14 -29.068 12.628 -22.301 1.00 70.32 H new ATOM 217 N GLY A 15 -28.210 15.623 -18.705 1.00 45.25 N ATOM 218 CA GLY A 15 -27.944 16.088 -17.357 1.00 13.53 C ATOM 219 C GLY A 15 -27.766 14.948 -16.374 1.00 61.25 C ATOM 220 O GLY A 15 -28.458 14.879 -15.359 1.00 34.32 O ATOM 0 H GLY A 15 -27.443 15.760 -19.364 1.00 45.25 H new ATOM 0 HA2 GLY A 15 -27.045 16.705 -17.360 1.00 13.53 H new ATOM 0 HA3 GLY A 15 -28.766 16.723 -17.027 1.00 13.53 H new ATOM 224 N LYS A 16 -26.836 14.049 -16.677 1.00 63.41 N ATOM 225 CA LYS A 16 -26.568 12.904 -15.814 1.00 44.32 C ATOM 226 C LYS A 16 -25.103 12.874 -15.391 1.00 25.33 C ATOM 227 O LYS A 16 -24.204 12.801 -16.230 1.00 21.34 O ATOM 228 CB LYS A 16 -26.929 11.602 -16.532 1.00 52.22 C ATOM 229 CG LYS A 16 -27.442 10.517 -15.602 1.00 24.53 C ATOM 230 CD LYS A 16 -26.310 9.643 -15.087 1.00 4.53 C ATOM 231 CE LYS A 16 -25.706 8.800 -16.199 1.00 61.02 C ATOM 232 NZ LYS A 16 -26.063 7.361 -16.060 1.00 70.12 N ATOM 0 H LYS A 16 -26.255 14.091 -17.514 1.00 63.41 H new ATOM 0 HA LYS A 16 -27.185 13.002 -14.921 1.00 44.32 H new ATOM 0 HB2 LYS A 16 -27.688 11.811 -17.286 1.00 52.22 H new ATOM 0 HB3 LYS A 16 -26.050 11.231 -17.059 1.00 52.22 H new ATOM 0 HG2 LYS A 16 -27.962 10.974 -14.760 1.00 24.53 H new ATOM 0 HG3 LYS A 16 -28.169 9.899 -16.129 1.00 24.53 H new ATOM 0 HD2 LYS A 16 -25.537 10.271 -14.644 1.00 4.53 H new ATOM 0 HD3 LYS A 16 -26.683 8.991 -14.297 1.00 4.53 H new ATOM 0 HE2 LYS A 16 -26.054 9.169 -17.164 1.00 61.02 H new ATOM 0 HE3 LYS A 16 -24.621 8.908 -16.188 1.00 61.02 H new ATOM 0 HZ1 LYS A 16 -25.632 6.820 -16.837 1.00 70.12 H new ATOM 0 HZ2 LYS A 16 -25.709 7.002 -15.150 1.00 70.12 H new ATOM 0 HZ3 LYS A 16 -27.097 7.255 -16.096 1.00 70.12 H new ATOM 246 N THR A 17 -24.868 12.929 -14.083 1.00 63.42 N ATOM 247 CA THR A 17 -23.512 12.907 -13.549 1.00 31.34 C ATOM 248 C THR A 17 -23.043 11.478 -13.296 1.00 55.32 C ATOM 249 O THR A 17 -23.636 10.753 -12.497 1.00 74.23 O ATOM 250 CB THR A 17 -23.413 13.707 -12.236 1.00 61.11 C ATOM 251 OG1 THR A 17 -24.667 13.674 -11.546 1.00 72.31 O ATOM 252 CG2 THR A 17 -23.017 15.150 -12.511 1.00 33.13 C ATOM 0 H THR A 17 -25.599 12.989 -13.375 1.00 63.42 H new ATOM 0 HA THR A 17 -22.870 13.370 -14.298 1.00 31.34 H new ATOM 0 HB THR A 17 -22.645 13.248 -11.613 1.00 61.11 H new ATOM 0 HG1 THR A 17 -24.595 14.183 -10.712 1.00 72.31 H new ATOM 0 HG21 THR A 17 -22.953 15.696 -11.570 1.00 33.13 H new ATOM 0 HG22 THR A 17 -22.048 15.173 -13.010 1.00 33.13 H new ATOM 0 HG23 THR A 17 -23.766 15.617 -13.151 1.00 33.13 H new ATOM 260 N ILE A 18 -21.977 11.081 -13.981 1.00 64.12 N ATOM 261 CA ILE A 18 -21.428 9.739 -13.829 1.00 41.11 C ATOM 262 C ILE A 18 -19.948 9.788 -13.466 1.00 2.33 C ATOM 263 O ILE A 18 -19.206 10.645 -13.948 1.00 71.24 O ATOM 264 CB ILE A 18 -21.602 8.911 -15.116 1.00 21.54 C ATOM 265 CG1 ILE A 18 -20.806 7.607 -15.020 1.00 53.12 C ATOM 266 CG2 ILE A 18 -21.164 9.717 -16.329 1.00 4.44 C ATOM 267 CD1 ILE A 18 -21.088 6.643 -16.151 1.00 71.03 C ATOM 0 H ILE A 18 -21.476 11.669 -14.647 1.00 64.12 H new ATOM 0 HA ILE A 18 -21.982 9.261 -13.021 1.00 41.11 H new ATOM 0 HB ILE A 18 -22.657 8.664 -15.231 1.00 21.54 H new ATOM 0 HG12 ILE A 18 -19.741 7.841 -15.009 1.00 53.12 H new ATOM 0 HG13 ILE A 18 -21.035 7.120 -14.072 1.00 53.12 H new ATOM 0 HG21 ILE A 18 -21.293 9.118 -17.230 1.00 4.44 H new ATOM 0 HG22 ILE A 18 -21.770 10.620 -16.404 1.00 4.44 H new ATOM 0 HG23 ILE A 18 -20.115 9.992 -16.224 1.00 4.44 H new ATOM 0 HD11 ILE A 18 -20.490 5.742 -16.018 1.00 71.03 H new ATOM 0 HD12 ILE A 18 -22.146 6.380 -16.150 1.00 71.03 H new ATOM 0 HD13 ILE A 18 -20.832 7.112 -17.101 1.00 71.03 H new ATOM 279 N THR A 19 -19.522 8.862 -12.612 1.00 53.11 N ATOM 280 CA THR A 19 -18.131 8.799 -12.184 1.00 63.20 C ATOM 281 C THR A 19 -17.468 7.510 -12.657 1.00 32.23 C ATOM 282 O THR A 19 -18.069 6.436 -12.602 1.00 41.24 O ATOM 283 CB THR A 19 -18.009 8.893 -10.651 1.00 75.33 C ATOM 284 OG1 THR A 19 -19.274 9.249 -10.081 1.00 4.21 O ATOM 285 CG2 THR A 19 -16.960 9.920 -10.253 1.00 72.24 C ATOM 0 H THR A 19 -20.122 8.145 -12.203 1.00 53.11 H new ATOM 0 HA THR A 19 -17.623 9.652 -12.634 1.00 63.20 H new ATOM 0 HB THR A 19 -17.701 7.918 -10.272 1.00 75.33 H new ATOM 0 HG1 THR A 19 -19.387 10.222 -10.118 1.00 4.21 H new ATOM 0 HG21 THR A 19 -16.892 9.968 -9.166 1.00 72.24 H new ATOM 0 HG22 THR A 19 -15.993 9.631 -10.664 1.00 72.24 H new ATOM 0 HG23 THR A 19 -17.242 10.898 -10.643 1.00 72.24 H new ATOM 293 N ILE A 20 -16.228 7.623 -13.119 1.00 63.23 N ATOM 294 CA ILE A 20 -15.484 6.465 -13.600 1.00 3.14 C ATOM 295 C ILE A 20 -14.011 6.561 -13.218 1.00 5.34 C ATOM 296 O ILE A 20 -13.374 7.596 -13.415 1.00 1.44 O ATOM 297 CB ILE A 20 -15.597 6.317 -15.128 1.00 54.54 C ATOM 298 CG1 ILE A 20 -15.636 7.695 -15.794 1.00 65.52 C ATOM 299 CG2 ILE A 20 -16.836 5.513 -15.492 1.00 73.21 C ATOM 300 CD1 ILE A 20 -14.951 7.733 -17.142 1.00 44.13 C ATOM 0 H ILE A 20 -15.717 8.504 -13.171 1.00 63.23 H new ATOM 0 HA ILE A 20 -15.924 5.588 -13.125 1.00 3.14 H new ATOM 0 HB ILE A 20 -14.720 5.782 -15.492 1.00 54.54 H new ATOM 0 HG12 ILE A 20 -16.675 8.002 -15.914 1.00 65.52 H new ATOM 0 HG13 ILE A 20 -15.163 8.422 -15.134 1.00 65.52 H new ATOM 0 HG21 ILE A 20 -16.902 5.417 -16.576 1.00 73.21 H new ATOM 0 HG22 ILE A 20 -16.771 4.522 -15.043 1.00 73.21 H new ATOM 0 HG23 ILE A 20 -17.724 6.023 -15.118 1.00 73.21 H new ATOM 0 HD11 ILE A 20 -15.017 8.739 -17.555 1.00 44.13 H new ATOM 0 HD12 ILE A 20 -13.903 7.457 -17.026 1.00 44.13 H new ATOM 0 HD13 ILE A 20 -15.439 7.030 -17.818 1.00 44.13 H new ATOM 312 N ASP A 21 -13.475 5.475 -12.672 1.00 5.10 N ATOM 313 CA ASP A 21 -12.075 5.435 -12.265 1.00 2.33 C ATOM 314 C ASP A 21 -11.171 5.124 -13.454 1.00 55.41 C ATOM 315 O ASP A 21 -11.327 4.096 -14.113 1.00 53.54 O ATOM 316 CB ASP A 21 -11.871 4.391 -11.166 1.00 65.45 C ATOM 317 CG ASP A 21 -12.204 2.987 -11.633 1.00 13.30 C ATOM 318 OD1 ASP A 21 -13.365 2.754 -12.031 1.00 40.43 O ATOM 319 OD2 ASP A 21 -11.305 2.122 -11.601 1.00 4.13 O ATOM 0 H ASP A 21 -13.989 4.611 -12.501 1.00 5.10 H new ATOM 0 HA ASP A 21 -11.807 6.418 -11.876 1.00 2.33 H new ATOM 0 HB2 ASP A 21 -10.836 4.422 -10.827 1.00 65.45 H new ATOM 0 HB3 ASP A 21 -12.495 4.643 -10.309 1.00 65.45 H new ATOM 324 N VAL A 22 -10.227 6.020 -13.724 1.00 10.24 N ATOM 325 CA VAL A 22 -9.298 5.842 -14.833 1.00 75.24 C ATOM 326 C VAL A 22 -7.868 6.154 -14.409 1.00 10.41 C ATOM 327 O VAL A 22 -7.640 6.780 -13.373 1.00 64.14 O ATOM 328 CB VAL A 22 -9.675 6.737 -16.029 1.00 64.33 C ATOM 329 CG1 VAL A 22 -11.140 7.137 -15.957 1.00 12.25 C ATOM 330 CG2 VAL A 22 -8.779 7.966 -16.077 1.00 33.42 C ATOM 0 H VAL A 22 -10.086 6.877 -13.189 1.00 10.24 H new ATOM 0 HA VAL A 22 -9.363 4.797 -15.136 1.00 75.24 H new ATOM 0 HB VAL A 22 -9.524 6.169 -16.947 1.00 64.33 H new ATOM 0 HG11 VAL A 22 -11.387 7.769 -16.810 1.00 12.25 H new ATOM 0 HG12 VAL A 22 -11.763 6.243 -15.975 1.00 12.25 H new ATOM 0 HG13 VAL A 22 -11.322 7.687 -15.034 1.00 12.25 H new ATOM 0 HG21 VAL A 22 -9.059 8.587 -16.928 1.00 33.42 H new ATOM 0 HG22 VAL A 22 -8.896 8.538 -15.156 1.00 33.42 H new ATOM 0 HG23 VAL A 22 -7.740 7.655 -16.181 1.00 33.42 H new ATOM 340 N ASP A 23 -6.908 5.715 -15.216 1.00 12.45 N ATOM 341 CA ASP A 23 -5.498 5.950 -14.925 1.00 35.53 C ATOM 342 C ASP A 23 -4.864 6.838 -15.990 1.00 70.34 C ATOM 343 O ASP A 23 -5.309 6.863 -17.138 1.00 71.54 O ATOM 344 CB ASP A 23 -4.746 4.621 -14.837 1.00 34.33 C ATOM 345 CG ASP A 23 -5.610 3.502 -14.287 1.00 44.12 C ATOM 346 OD1 ASP A 23 -6.152 3.664 -13.174 1.00 62.21 O ATOM 347 OD2 ASP A 23 -5.742 2.465 -14.970 1.00 34.52 O ATOM 0 H ASP A 23 -7.080 5.195 -16.076 1.00 12.45 H new ATOM 0 HA ASP A 23 -5.430 6.461 -13.965 1.00 35.53 H new ATOM 0 HB2 ASP A 23 -4.386 4.344 -15.828 1.00 34.33 H new ATOM 0 HB3 ASP A 23 -3.869 4.745 -14.202 1.00 34.33 H new ATOM 352 N HIS A 24 -3.822 7.567 -15.603 1.00 34.25 N ATOM 353 CA HIS A 24 -3.127 8.457 -16.525 1.00 3.42 C ATOM 354 C HIS A 24 -2.550 7.677 -17.702 1.00 51.34 C ATOM 355 O HIS A 24 -2.192 8.257 -18.727 1.00 75.45 O ATOM 356 CB HIS A 24 -2.009 9.207 -15.798 1.00 74.32 C ATOM 357 CG HIS A 24 -1.103 8.313 -15.009 1.00 34.40 C ATOM 358 ND1 HIS A 24 -0.088 7.575 -15.581 1.00 54.23 N ATOM 359 CD2 HIS A 24 -1.063 8.041 -13.684 1.00 23.34 C ATOM 360 CE1 HIS A 24 0.536 6.887 -14.642 1.00 42.14 C ATOM 361 NE2 HIS A 24 -0.035 7.152 -13.482 1.00 13.25 N ATOM 0 H HIS A 24 -3.441 7.559 -14.657 1.00 34.25 H new ATOM 0 HA HIS A 24 -3.849 9.178 -16.909 1.00 3.42 H new ATOM 0 HB2 HIS A 24 -1.417 9.757 -16.529 1.00 74.32 H new ATOM 0 HB3 HIS A 24 -2.453 9.944 -15.128 1.00 74.32 H new ATOM 0 HD2 HIS A 24 -1.717 8.447 -12.927 1.00 23.34 H new ATOM 0 HE1 HIS A 24 1.372 6.221 -14.797 1.00 42.14 H new ATOM 0 HE2 HIS A 24 0.242 6.760 -12.582 1.00 13.25 H new ATOM 369 N ALA A 25 -2.462 6.360 -17.547 1.00 54.34 N ATOM 370 CA ALA A 25 -1.931 5.501 -18.598 1.00 5.20 C ATOM 371 C ALA A 25 -3.023 5.098 -19.583 1.00 4.21 C ATOM 372 O ALA A 25 -2.800 4.269 -20.466 1.00 15.51 O ATOM 373 CB ALA A 25 -1.282 4.266 -17.992 1.00 22.34 C ATOM 0 H ALA A 25 -2.752 5.865 -16.704 1.00 54.34 H new ATOM 0 HA ALA A 25 -1.175 6.064 -19.145 1.00 5.20 H new ATOM 0 HB1 ALA A 25 -0.890 3.633 -18.788 1.00 22.34 H new ATOM 0 HB2 ALA A 25 -0.467 4.569 -17.334 1.00 22.34 H new ATOM 0 HB3 ALA A 25 -2.023 3.710 -17.419 1.00 22.34 H new ATOM 379 N ASP A 26 -4.202 5.689 -19.425 1.00 71.43 N ATOM 380 CA ASP A 26 -5.329 5.391 -20.301 1.00 53.14 C ATOM 381 C ASP A 26 -5.487 6.470 -21.369 1.00 35.43 C ATOM 382 O ASP A 26 -4.614 7.321 -21.541 1.00 74.25 O ATOM 383 CB ASP A 26 -6.618 5.270 -19.487 1.00 21.45 C ATOM 384 CG ASP A 26 -6.574 4.118 -18.501 1.00 44.24 C ATOM 385 OD1 ASP A 26 -5.570 4.004 -17.766 1.00 53.12 O ATOM 386 OD2 ASP A 26 -7.543 3.332 -18.465 1.00 25.51 O ATOM 0 H ASP A 26 -4.402 6.377 -18.699 1.00 71.43 H new ATOM 0 HA ASP A 26 -5.131 4.440 -20.796 1.00 53.14 H new ATOM 0 HB2 ASP A 26 -6.792 6.201 -18.947 1.00 21.45 H new ATOM 0 HB3 ASP A 26 -7.461 5.133 -20.165 1.00 21.45 H new ATOM 391 N THR A 27 -6.607 6.427 -22.084 1.00 52.42 N ATOM 392 CA THR A 27 -6.879 7.399 -23.136 1.00 71.21 C ATOM 393 C THR A 27 -8.370 7.698 -23.236 1.00 14.32 C ATOM 394 O THR A 27 -9.200 6.948 -22.723 1.00 34.43 O ATOM 395 CB THR A 27 -6.374 6.902 -24.504 1.00 33.21 C ATOM 396 OG1 THR A 27 -6.340 5.470 -24.523 1.00 1.42 O ATOM 397 CG2 THR A 27 -4.987 7.451 -24.801 1.00 53.40 C ATOM 0 H THR A 27 -7.340 5.730 -21.954 1.00 52.42 H new ATOM 0 HA THR A 27 -6.345 8.311 -22.869 1.00 71.21 H new ATOM 0 HB THR A 27 -7.061 7.259 -25.272 1.00 33.21 H new ATOM 0 HG1 THR A 27 -6.020 5.162 -25.396 1.00 1.42 H new ATOM 0 HG21 THR A 27 -4.652 7.086 -25.772 1.00 53.40 H new ATOM 0 HG22 THR A 27 -5.022 8.540 -24.815 1.00 53.40 H new ATOM 0 HG23 THR A 27 -4.292 7.120 -24.029 1.00 53.40 H new ATOM 405 N VAL A 28 -8.705 8.800 -23.900 1.00 50.01 N ATOM 406 CA VAL A 28 -10.098 9.198 -24.069 1.00 25.22 C ATOM 407 C VAL A 28 -10.922 8.069 -24.678 1.00 44.21 C ATOM 408 O VAL A 28 -11.996 7.733 -24.182 1.00 21.12 O ATOM 409 CB VAL A 28 -10.220 10.448 -24.961 1.00 31.53 C ATOM 410 CG1 VAL A 28 -11.641 10.990 -24.927 1.00 44.52 C ATOM 411 CG2 VAL A 28 -9.223 11.512 -24.526 1.00 75.53 C ATOM 0 H VAL A 28 -8.031 9.433 -24.330 1.00 50.01 H new ATOM 0 HA VAL A 28 -10.484 9.430 -23.076 1.00 25.22 H new ATOM 0 HB VAL A 28 -9.989 10.165 -25.988 1.00 31.53 H new ATOM 0 HG11 VAL A 28 -11.709 11.873 -25.563 1.00 44.52 H new ATOM 0 HG12 VAL A 28 -12.330 10.227 -25.290 1.00 44.52 H new ATOM 0 HG13 VAL A 28 -11.904 11.259 -23.904 1.00 44.52 H new ATOM 0 HG21 VAL A 28 -9.323 12.388 -25.167 1.00 75.53 H new ATOM 0 HG22 VAL A 28 -9.420 11.794 -23.492 1.00 75.53 H new ATOM 0 HG23 VAL A 28 -8.210 11.117 -24.607 1.00 75.53 H new ATOM 421 N GLY A 29 -10.410 7.486 -25.758 1.00 42.42 N ATOM 422 CA GLY A 29 -11.111 6.401 -26.418 1.00 73.21 C ATOM 423 C GLY A 29 -11.527 5.308 -25.453 1.00 55.33 C ATOM 424 O GLY A 29 -12.684 4.887 -25.443 1.00 43.23 O ATOM 0 H GLY A 29 -9.522 7.746 -26.187 1.00 42.42 H new ATOM 0 HA2 GLY A 29 -11.995 6.795 -26.919 1.00 73.21 H new ATOM 0 HA3 GLY A 29 -10.470 5.975 -27.190 1.00 73.21 H new ATOM 428 N ALA A 30 -10.582 4.847 -24.641 1.00 33.21 N ATOM 429 CA ALA A 30 -10.857 3.797 -23.668 1.00 30.20 C ATOM 430 C ALA A 30 -11.939 4.229 -22.684 1.00 40.43 C ATOM 431 O ALA A 30 -12.821 3.446 -22.332 1.00 52.23 O ATOM 432 CB ALA A 30 -9.584 3.421 -22.924 1.00 33.41 C ATOM 0 H ALA A 30 -9.619 5.184 -24.637 1.00 33.21 H new ATOM 0 HA ALA A 30 -11.222 2.923 -24.207 1.00 30.20 H new ATOM 0 HB1 ALA A 30 -9.804 2.636 -22.201 1.00 33.41 H new ATOM 0 HB2 ALA A 30 -8.840 3.062 -23.635 1.00 33.41 H new ATOM 0 HB3 ALA A 30 -9.195 4.296 -22.403 1.00 33.41 H new ATOM 438 N VAL A 31 -11.865 5.481 -22.243 1.00 1.11 N ATOM 439 CA VAL A 31 -12.838 6.018 -21.300 1.00 35.14 C ATOM 440 C VAL A 31 -14.244 6.000 -21.890 1.00 43.35 C ATOM 441 O VAL A 31 -15.209 5.644 -21.215 1.00 32.32 O ATOM 442 CB VAL A 31 -12.485 7.459 -20.887 1.00 42.23 C ATOM 443 CG1 VAL A 31 -13.566 8.038 -19.988 1.00 11.04 C ATOM 444 CG2 VAL A 31 -11.129 7.498 -20.198 1.00 51.45 C ATOM 0 H VAL A 31 -11.141 6.142 -22.524 1.00 1.11 H new ATOM 0 HA VAL A 31 -12.809 5.378 -20.418 1.00 35.14 H new ATOM 0 HB VAL A 31 -12.428 8.072 -21.786 1.00 42.23 H new ATOM 0 HG11 VAL A 31 -13.298 9.057 -19.707 1.00 11.04 H new ATOM 0 HG12 VAL A 31 -14.517 8.047 -20.521 1.00 11.04 H new ATOM 0 HG13 VAL A 31 -13.659 7.426 -19.091 1.00 11.04 H new ATOM 0 HG21 VAL A 31 -10.895 8.524 -19.913 1.00 51.45 H new ATOM 0 HG22 VAL A 31 -11.155 6.871 -19.307 1.00 51.45 H new ATOM 0 HG23 VAL A 31 -10.364 7.128 -20.880 1.00 51.45 H new ATOM 454 N LYS A 32 -14.352 6.387 -23.157 1.00 1.31 N ATOM 455 CA LYS A 32 -15.639 6.415 -23.842 1.00 22.12 C ATOM 456 C LYS A 32 -16.316 5.049 -23.783 1.00 10.43 C ATOM 457 O LYS A 32 -17.521 4.953 -23.553 1.00 52.41 O ATOM 458 CB LYS A 32 -15.455 6.842 -25.300 1.00 22.02 C ATOM 459 CG LYS A 32 -16.161 8.141 -25.647 1.00 33.01 C ATOM 460 CD LYS A 32 -15.201 9.319 -25.634 1.00 32.33 C ATOM 461 CE LYS A 32 -14.724 9.664 -27.036 1.00 2.42 C ATOM 462 NZ LYS A 32 -14.215 8.467 -27.759 1.00 64.35 N ATOM 0 H LYS A 32 -13.563 6.686 -23.730 1.00 1.31 H new ATOM 0 HA LYS A 32 -16.276 7.140 -23.335 1.00 22.12 H new ATOM 0 HB2 LYS A 32 -14.390 6.951 -25.506 1.00 22.02 H new ATOM 0 HB3 LYS A 32 -15.827 6.051 -25.951 1.00 22.02 H new ATOM 0 HG2 LYS A 32 -16.619 8.055 -26.632 1.00 33.01 H new ATOM 0 HG3 LYS A 32 -16.967 8.319 -24.935 1.00 33.01 H new ATOM 0 HD2 LYS A 32 -15.693 10.186 -25.192 1.00 32.33 H new ATOM 0 HD3 LYS A 32 -14.343 9.084 -25.004 1.00 32.33 H new ATOM 0 HE2 LYS A 32 -15.545 10.107 -27.600 1.00 2.42 H new ATOM 0 HE3 LYS A 32 -13.936 10.415 -26.977 1.00 2.42 H new ATOM 0 HZ1 LYS A 32 -13.673 8.770 -28.593 1.00 64.35 H new ATOM 0 HZ2 LYS A 32 -13.599 7.916 -27.128 1.00 64.35 H new ATOM 0 HZ3 LYS A 32 -15.016 7.878 -28.062 1.00 64.35 H new ATOM 476 N ALA A 33 -15.533 3.996 -23.990 1.00 23.02 N ATOM 477 CA ALA A 33 -16.056 2.636 -23.956 1.00 55.14 C ATOM 478 C ALA A 33 -16.579 2.283 -22.568 1.00 23.01 C ATOM 479 O ALA A 33 -17.616 1.634 -22.430 1.00 25.45 O ATOM 480 CB ALA A 33 -14.984 1.647 -24.386 1.00 63.44 C ATOM 0 H ALA A 33 -14.533 4.059 -24.183 1.00 23.02 H new ATOM 0 HA ALA A 33 -16.890 2.577 -24.655 1.00 55.14 H new ATOM 0 HB1 ALA A 33 -15.389 0.635 -24.356 1.00 63.44 H new ATOM 0 HB2 ALA A 33 -14.662 1.879 -25.401 1.00 63.44 H new ATOM 0 HB3 ALA A 33 -14.132 1.717 -23.710 1.00 63.44 H new ATOM 486 N LYS A 34 -15.854 2.714 -21.541 1.00 62.11 N ATOM 487 CA LYS A 34 -16.243 2.444 -20.162 1.00 55.22 C ATOM 488 C LYS A 34 -17.611 3.046 -19.856 1.00 31.04 C ATOM 489 O LYS A 34 -18.462 2.398 -19.245 1.00 22.00 O ATOM 490 CB LYS A 34 -15.199 3.007 -19.196 1.00 23.11 C ATOM 491 CG LYS A 34 -15.478 2.679 -17.739 1.00 61.44 C ATOM 492 CD LYS A 34 -15.405 1.183 -17.481 1.00 55.01 C ATOM 493 CE LYS A 34 -14.015 0.635 -17.763 1.00 4.52 C ATOM 494 NZ LYS A 34 -13.881 -0.785 -17.337 1.00 72.32 N ATOM 0 H LYS A 34 -14.993 3.252 -21.638 1.00 62.11 H new ATOM 0 HA LYS A 34 -16.303 1.363 -20.032 1.00 55.22 H new ATOM 0 HB2 LYS A 34 -14.218 2.616 -19.466 1.00 23.11 H new ATOM 0 HB3 LYS A 34 -15.154 4.090 -19.314 1.00 23.11 H new ATOM 0 HG2 LYS A 34 -14.757 3.194 -17.104 1.00 61.44 H new ATOM 0 HG3 LYS A 34 -16.466 3.049 -17.464 1.00 61.44 H new ATOM 0 HD2 LYS A 34 -15.675 0.978 -16.445 1.00 55.01 H new ATOM 0 HD3 LYS A 34 -16.134 0.669 -18.108 1.00 55.01 H new ATOM 0 HE2 LYS A 34 -13.802 0.716 -18.829 1.00 4.52 H new ATOM 0 HE3 LYS A 34 -13.273 1.241 -17.243 1.00 4.52 H new ATOM 0 HZ1 LYS A 34 -12.919 -1.121 -17.546 1.00 72.32 H new ATOM 0 HZ2 LYS A 34 -14.059 -0.859 -16.315 1.00 72.32 H new ATOM 0 HZ3 LYS A 34 -14.571 -1.368 -17.852 1.00 72.32 H new ATOM 508 N ILE A 35 -17.816 4.287 -20.284 1.00 61.10 N ATOM 509 CA ILE A 35 -19.081 4.974 -20.057 1.00 73.11 C ATOM 510 C ILE A 35 -20.213 4.314 -20.838 1.00 2.00 C ATOM 511 O ILE A 35 -21.347 4.238 -20.364 1.00 4.51 O ATOM 512 CB ILE A 35 -18.995 6.459 -20.456 1.00 72.12 C ATOM 513 CG1 ILE A 35 -17.817 7.132 -19.749 1.00 14.24 C ATOM 514 CG2 ILE A 35 -20.297 7.173 -20.125 1.00 73.41 C ATOM 515 CD1 ILE A 35 -17.859 6.996 -18.243 1.00 33.03 C ATOM 0 H ILE A 35 -17.122 4.837 -20.790 1.00 61.10 H new ATOM 0 HA ILE A 35 -19.290 4.905 -18.990 1.00 73.11 H new ATOM 0 HB ILE A 35 -18.833 6.522 -21.532 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -16.887 6.700 -20.119 1.00 14.24 H new ATOM 0 HG13 ILE A 35 -17.803 8.190 -20.010 1.00 14.24 H new ATOM 0 HG21 ILE A 35 -20.220 8.221 -20.413 1.00 73.41 H new ATOM 0 HG22 ILE A 35 -21.117 6.706 -20.671 1.00 73.41 H new ATOM 0 HG23 ILE A 35 -20.488 7.104 -19.054 1.00 73.41 H new ATOM 0 HD11 ILE A 35 -16.994 7.496 -17.808 1.00 33.03 H new ATOM 0 HD12 ILE A 35 -18.772 7.453 -17.862 1.00 33.03 H new ATOM 0 HD13 ILE A 35 -17.841 5.940 -17.972 1.00 33.03 H new ATOM 527 N TYR A 36 -19.897 3.836 -22.036 1.00 43.13 N ATOM 528 CA TYR A 36 -20.887 3.182 -22.884 1.00 2.51 C ATOM 529 C TYR A 36 -21.531 2.004 -22.160 1.00 11.20 C ATOM 530 O TYR A 36 -22.750 1.836 -22.187 1.00 74.11 O ATOM 531 CB TYR A 36 -20.239 2.704 -24.185 1.00 33.05 C ATOM 532 CG TYR A 36 -20.606 1.285 -24.557 1.00 42.21 C ATOM 533 CD1 TYR A 36 -21.879 0.974 -25.019 1.00 41.30 C ATOM 534 CD2 TYR A 36 -19.680 0.255 -24.447 1.00 3.55 C ATOM 535 CE1 TYR A 36 -22.219 -0.321 -25.360 1.00 3.40 C ATOM 536 CE2 TYR A 36 -20.010 -1.042 -24.787 1.00 11.04 C ATOM 537 CZ TYR A 36 -21.281 -1.325 -25.243 1.00 23.14 C ATOM 538 OH TYR A 36 -21.614 -2.617 -25.581 1.00 12.50 O ATOM 0 H TYR A 36 -18.963 3.889 -22.442 1.00 43.13 H new ATOM 0 HA TYR A 36 -21.664 3.909 -23.119 1.00 2.51 H new ATOM 0 HB2 TYR A 36 -20.534 3.371 -24.995 1.00 33.05 H new ATOM 0 HB3 TYR A 36 -19.156 2.778 -24.090 1.00 33.05 H new ATOM 0 HD1 TYR A 36 -22.616 1.758 -25.113 1.00 41.30 H new ATOM 0 HD2 TYR A 36 -18.684 0.473 -24.089 1.00 3.55 H new ATOM 0 HE1 TYR A 36 -23.214 -0.546 -25.716 1.00 3.40 H new ATOM 0 HE2 TYR A 36 -19.277 -1.830 -24.696 1.00 11.04 H new ATOM 0 HH TYR A 36 -20.840 -3.201 -25.442 1.00 12.50 H new ATOM 548 N ASP A 37 -20.703 1.192 -21.513 1.00 20.23 N ATOM 549 CA ASP A 37 -21.190 0.029 -20.779 1.00 52.50 C ATOM 550 C ASP A 37 -21.845 0.450 -19.467 1.00 40.30 C ATOM 551 O ASP A 37 -22.770 -0.203 -18.984 1.00 71.35 O ATOM 552 CB ASP A 37 -20.043 -0.943 -20.502 1.00 23.02 C ATOM 553 CG ASP A 37 -20.524 -2.369 -20.320 1.00 23.23 C ATOM 554 OD1 ASP A 37 -21.733 -2.561 -20.071 1.00 4.21 O ATOM 555 OD2 ASP A 37 -19.691 -3.294 -20.427 1.00 14.22 O ATOM 0 H ASP A 37 -19.691 1.317 -21.481 1.00 20.23 H new ATOM 0 HA ASP A 37 -21.938 -0.471 -21.394 1.00 52.50 H new ATOM 0 HB2 ASP A 37 -19.331 -0.905 -21.327 1.00 23.02 H new ATOM 0 HB3 ASP A 37 -19.510 -0.625 -19.606 1.00 23.02 H new ATOM 560 N LYS A 38 -21.358 1.546 -18.893 1.00 73.55 N ATOM 561 CA LYS A 38 -21.895 2.055 -17.637 1.00 72.02 C ATOM 562 C LYS A 38 -23.404 2.258 -17.733 1.00 20.32 C ATOM 563 O LYS A 38 -24.150 1.863 -16.837 1.00 63.12 O ATOM 564 CB LYS A 38 -21.215 3.375 -17.266 1.00 71.30 C ATOM 565 CG LYS A 38 -20.384 3.295 -15.997 1.00 64.25 C ATOM 566 CD LYS A 38 -18.926 2.995 -16.304 1.00 41.11 C ATOM 567 CE LYS A 38 -18.678 1.499 -16.426 1.00 0.43 C ATOM 568 NZ LYS A 38 -18.087 0.932 -15.182 1.00 11.20 N ATOM 0 H LYS A 38 -20.592 2.098 -19.278 1.00 73.55 H new ATOM 0 HA LYS A 38 -21.694 1.318 -16.859 1.00 72.02 H new ATOM 0 HB2 LYS A 38 -20.575 3.689 -18.091 1.00 71.30 H new ATOM 0 HB3 LYS A 38 -21.977 4.145 -17.144 1.00 71.30 H new ATOM 0 HG2 LYS A 38 -20.456 4.237 -15.454 1.00 64.25 H new ATOM 0 HG3 LYS A 38 -20.787 2.520 -15.345 1.00 64.25 H new ATOM 0 HD2 LYS A 38 -18.639 3.489 -17.232 1.00 41.11 H new ATOM 0 HD3 LYS A 38 -18.295 3.406 -15.516 1.00 41.11 H new ATOM 0 HE2 LYS A 38 -19.617 0.992 -16.646 1.00 0.43 H new ATOM 0 HE3 LYS A 38 -18.009 1.309 -17.265 1.00 0.43 H new ATOM 0 HZ1 LYS A 38 -17.886 -0.079 -15.323 1.00 11.20 H new ATOM 0 HZ2 LYS A 38 -17.204 1.433 -14.958 1.00 11.20 H new ATOM 0 HZ3 LYS A 38 -18.758 1.045 -14.396 1.00 11.20 H new ATOM 582 N GLU A 39 -23.846 2.874 -18.825 1.00 1.04 N ATOM 583 CA GLU A 39 -25.266 3.128 -19.036 1.00 32.41 C ATOM 584 C GLU A 39 -25.788 2.335 -20.231 1.00 54.41 C ATOM 585 O GLU A 39 -26.766 1.597 -20.121 1.00 30.33 O ATOM 586 CB GLU A 39 -25.513 4.622 -19.253 1.00 74.13 C ATOM 587 CG GLU A 39 -24.469 5.290 -20.132 1.00 10.14 C ATOM 588 CD GLU A 39 -24.592 6.801 -20.138 1.00 15.52 C ATOM 589 OE1 GLU A 39 -25.691 7.308 -19.825 1.00 24.42 O ATOM 590 OE2 GLU A 39 -23.592 7.478 -20.455 1.00 71.25 O ATOM 0 H GLU A 39 -23.242 3.206 -19.577 1.00 1.04 H new ATOM 0 HA GLU A 39 -25.804 2.805 -18.145 1.00 32.41 H new ATOM 0 HB2 GLU A 39 -26.496 4.757 -19.704 1.00 74.13 H new ATOM 0 HB3 GLU A 39 -25.535 5.122 -18.285 1.00 74.13 H new ATOM 0 HG2 GLU A 39 -23.474 5.012 -19.784 1.00 10.14 H new ATOM 0 HG3 GLU A 39 -24.566 4.917 -21.152 1.00 10.14 H new ATOM 597 N GLY A 40 -25.128 2.496 -21.374 1.00 75.12 N ATOM 598 CA GLY A 40 -25.540 1.791 -22.574 1.00 33.32 C ATOM 599 C GLY A 40 -25.790 2.727 -23.740 1.00 34.24 C ATOM 600 O GLY A 40 -26.825 2.641 -24.402 1.00 1.11 O ATOM 0 H GLY A 40 -24.316 3.102 -21.490 1.00 75.12 H new ATOM 0 HA2 GLY A 40 -24.771 1.070 -22.850 1.00 33.32 H new ATOM 0 HA3 GLY A 40 -26.448 1.225 -22.365 1.00 33.32 H new ATOM 604 N ILE A 41 -24.842 3.623 -23.990 1.00 54.51 N ATOM 605 CA ILE A 41 -24.966 4.580 -25.083 1.00 63.55 C ATOM 606 C ILE A 41 -23.827 4.419 -26.085 1.00 51.10 C ATOM 607 O ILE A 41 -22.744 3.932 -25.759 1.00 75.20 O ATOM 608 CB ILE A 41 -24.978 6.030 -24.565 1.00 24.43 C ATOM 609 CG1 ILE A 41 -23.849 6.242 -23.553 1.00 72.24 C ATOM 610 CG2 ILE A 41 -26.325 6.357 -23.939 1.00 52.43 C ATOM 611 CD1 ILE A 41 -23.048 7.501 -23.798 1.00 4.13 C ATOM 0 H ILE A 41 -23.980 3.707 -23.451 1.00 54.51 H new ATOM 0 HA ILE A 41 -25.915 4.373 -25.577 1.00 63.55 H new ATOM 0 HB ILE A 41 -24.817 6.703 -25.407 1.00 24.43 H new ATOM 0 HG12 ILE A 41 -24.273 6.280 -22.550 1.00 72.24 H new ATOM 0 HG13 ILE A 41 -23.179 5.383 -23.583 1.00 72.24 H new ATOM 0 HG21 ILE A 41 -26.318 7.385 -23.577 1.00 52.43 H new ATOM 0 HG22 ILE A 41 -27.111 6.240 -24.685 1.00 52.43 H new ATOM 0 HG23 ILE A 41 -26.513 5.680 -23.105 1.00 52.43 H new ATOM 0 HD11 ILE A 41 -22.266 7.587 -23.044 1.00 4.13 H new ATOM 0 HD12 ILE A 41 -22.594 7.457 -24.788 1.00 4.13 H new ATOM 0 HD13 ILE A 41 -23.706 8.368 -23.739 1.00 4.13 H new ATOM 623 N PRO A 42 -24.074 4.840 -27.334 1.00 53.13 N ATOM 624 CA PRO A 42 -23.081 4.756 -28.409 1.00 71.22 C ATOM 625 C PRO A 42 -21.923 5.727 -28.206 1.00 53.21 C ATOM 626 O PRO A 42 -22.096 6.946 -28.209 1.00 14.13 O ATOM 627 CB PRO A 42 -23.880 5.130 -29.660 1.00 63.23 C ATOM 628 CG PRO A 42 -25.002 5.969 -29.156 1.00 55.31 C ATOM 629 CD PRO A 42 -25.342 5.431 -27.794 1.00 13.33 C ATOM 0 HA PRO A 42 -22.619 3.770 -28.461 1.00 71.22 H new ATOM 0 HB2 PRO A 42 -23.265 5.679 -30.373 1.00 63.23 H new ATOM 0 HB3 PRO A 42 -24.249 4.242 -30.174 1.00 63.23 H new ATOM 0 HG2 PRO A 42 -24.710 7.018 -29.100 1.00 55.31 H new ATOM 0 HG3 PRO A 42 -25.862 5.913 -29.824 1.00 55.31 H new ATOM 0 HD2 PRO A 42 -25.684 6.220 -27.124 1.00 13.33 H new ATOM 0 HD3 PRO A 42 -26.138 4.687 -27.843 1.00 13.33 H new ATOM 637 N PRO A 43 -20.713 5.177 -28.026 1.00 51.52 N ATOM 638 CA PRO A 43 -19.503 5.978 -27.819 1.00 42.24 C ATOM 639 C PRO A 43 -19.083 6.729 -29.078 1.00 44.42 C ATOM 640 O PRO A 43 -18.474 7.797 -29.001 1.00 73.04 O ATOM 641 CB PRO A 43 -18.448 4.935 -27.442 1.00 2.42 C ATOM 642 CG PRO A 43 -18.931 3.667 -28.057 1.00 15.55 C ATOM 643 CD PRO A 43 -20.433 3.732 -28.011 1.00 71.14 C ATOM 0 HA PRO A 43 -19.649 6.750 -27.063 1.00 42.24 H new ATOM 0 HB2 PRO A 43 -17.465 5.211 -27.824 1.00 2.42 H new ATOM 0 HB3 PRO A 43 -18.355 4.840 -26.360 1.00 2.42 H new ATOM 0 HG2 PRO A 43 -18.576 3.570 -29.083 1.00 15.55 H new ATOM 0 HG3 PRO A 43 -18.561 2.801 -27.508 1.00 15.55 H new ATOM 0 HD2 PRO A 43 -20.883 3.227 -28.865 1.00 71.14 H new ATOM 0 HD3 PRO A 43 -20.828 3.255 -27.114 1.00 71.14 H new ATOM 651 N ASP A 44 -19.411 6.166 -30.235 1.00 72.43 N ATOM 652 CA ASP A 44 -19.069 6.783 -31.511 1.00 50.32 C ATOM 653 C ASP A 44 -20.020 7.932 -31.831 1.00 54.12 C ATOM 654 O ASP A 44 -19.737 8.762 -32.695 1.00 32.12 O ATOM 655 CB ASP A 44 -19.109 5.744 -32.632 1.00 74.14 C ATOM 656 CG ASP A 44 -18.421 6.226 -33.894 1.00 53.32 C ATOM 657 OD1 ASP A 44 -17.204 6.498 -33.839 1.00 1.33 O ATOM 658 OD2 ASP A 44 -19.100 6.333 -34.937 1.00 73.22 O ATOM 0 H ASP A 44 -19.914 5.282 -30.316 1.00 72.43 H new ATOM 0 HA ASP A 44 -18.058 7.183 -31.433 1.00 50.32 H new ATOM 0 HB2 ASP A 44 -18.631 4.826 -32.290 1.00 74.14 H new ATOM 0 HB3 ASP A 44 -20.146 5.498 -32.859 1.00 74.14 H new ATOM 663 N GLN A 45 -21.149 7.972 -31.130 1.00 42.01 N ATOM 664 CA GLN A 45 -22.142 9.018 -31.341 1.00 53.15 C ATOM 665 C GLN A 45 -22.030 10.100 -30.272 1.00 62.22 C ATOM 666 O GLN A 45 -22.618 11.174 -30.399 1.00 25.40 O ATOM 667 CB GLN A 45 -23.551 8.422 -31.334 1.00 61.14 C ATOM 668 CG GLN A 45 -23.995 7.895 -32.689 1.00 71.52 C ATOM 669 CD GLN A 45 -24.896 6.680 -32.576 1.00 41.51 C ATOM 670 OE1 GLN A 45 -25.997 6.759 -32.030 1.00 61.33 O ATOM 671 NE2 GLN A 45 -24.432 5.549 -33.093 1.00 31.40 N ATOM 0 H GLN A 45 -21.398 7.292 -30.412 1.00 42.01 H new ATOM 0 HA GLN A 45 -21.952 9.473 -32.313 1.00 53.15 H new ATOM 0 HB2 GLN A 45 -23.590 7.610 -30.607 1.00 61.14 H new ATOM 0 HB3 GLN A 45 -24.257 9.183 -31.000 1.00 61.14 H new ATOM 0 HG2 GLN A 45 -24.521 8.684 -33.227 1.00 71.52 H new ATOM 0 HG3 GLN A 45 -23.116 7.637 -33.280 1.00 71.52 H new ATOM 0 HE21 GLN A 45 -23.514 5.530 -33.536 1.00 31.40 H new ATOM 0 HE22 GLN A 45 -24.994 4.699 -33.047 1.00 31.40 H new ATOM 680 N GLN A 46 -21.272 9.808 -29.220 1.00 42.31 N ATOM 681 CA GLN A 46 -21.084 10.757 -28.128 1.00 61.54 C ATOM 682 C GLN A 46 -19.697 11.387 -28.188 1.00 5.11 C ATOM 683 O GLN A 46 -18.749 10.781 -28.688 1.00 73.44 O ATOM 684 CB GLN A 46 -21.284 10.061 -26.781 1.00 4.13 C ATOM 685 CG GLN A 46 -20.185 9.067 -26.440 1.00 71.03 C ATOM 686 CD GLN A 46 -19.279 9.557 -25.328 1.00 61.21 C ATOM 687 OE1 GLN A 46 -18.297 10.258 -25.575 1.00 13.11 O ATOM 688 NE2 GLN A 46 -19.604 9.189 -24.094 1.00 41.32 N ATOM 0 H GLN A 46 -20.779 8.923 -29.100 1.00 42.31 H new ATOM 0 HA GLN A 46 -21.827 11.548 -28.234 1.00 61.54 H new ATOM 0 HB2 GLN A 46 -21.336 10.815 -25.996 1.00 4.13 H new ATOM 0 HB3 GLN A 46 -22.242 9.542 -26.789 1.00 4.13 H new ATOM 0 HG2 GLN A 46 -20.636 8.120 -26.145 1.00 71.03 H new ATOM 0 HG3 GLN A 46 -19.588 8.872 -27.331 1.00 71.03 H new ATOM 0 HE21 GLN A 46 -20.427 8.607 -23.935 1.00 41.32 H new ATOM 0 HE22 GLN A 46 -19.031 9.488 -23.305 1.00 41.32 H new ATOM 697 N ARG A 47 -19.584 12.608 -27.675 1.00 33.25 N ATOM 698 CA ARG A 47 -18.313 13.321 -27.671 1.00 1.21 C ATOM 699 C ARG A 47 -18.119 14.081 -26.362 1.00 35.13 C ATOM 700 O ARG A 47 -19.084 14.379 -25.656 1.00 51.01 O ATOM 701 CB ARG A 47 -18.245 14.292 -28.851 1.00 51.11 C ATOM 702 CG ARG A 47 -18.208 13.603 -30.205 1.00 72.13 C ATOM 703 CD ARG A 47 -16.788 13.233 -30.604 1.00 30.25 C ATOM 704 NE ARG A 47 -16.318 14.014 -31.744 1.00 51.23 N ATOM 705 CZ ARG A 47 -15.255 13.687 -32.471 1.00 55.43 C ATOM 706 NH1 ARG A 47 -14.556 12.600 -32.178 1.00 35.41 N ATOM 707 NH2 ARG A 47 -14.890 14.449 -33.495 1.00 14.14 N ATOM 0 H ARG A 47 -20.358 13.124 -27.257 1.00 33.25 H new ATOM 0 HA ARG A 47 -17.513 12.586 -27.766 1.00 1.21 H new ATOM 0 HB2 ARG A 47 -19.108 14.956 -28.814 1.00 51.11 H new ATOM 0 HB3 ARG A 47 -17.358 14.916 -28.746 1.00 51.11 H new ATOM 0 HG2 ARG A 47 -18.824 12.704 -30.174 1.00 72.13 H new ATOM 0 HG3 ARG A 47 -18.640 14.260 -30.960 1.00 72.13 H new ATOM 0 HD2 ARG A 47 -16.121 13.391 -29.757 1.00 30.25 H new ATOM 0 HD3 ARG A 47 -16.745 12.172 -30.850 1.00 30.25 H new ATOM 0 HE ARG A 47 -16.834 14.857 -31.996 1.00 51.23 H new ATOM 0 HH11 ARG A 47 -14.834 12.012 -31.392 1.00 35.41 H new ATOM 0 HH12 ARG A 47 -13.740 12.352 -32.738 1.00 35.41 H new ATOM 0 HH21 ARG A 47 -15.426 15.286 -33.724 1.00 14.14 H new ATOM 0 HH22 ARG A 47 -14.074 14.197 -34.053 1.00 14.14 H new ATOM 721 N LEU A 48 -16.868 14.391 -26.043 1.00 64.31 N ATOM 722 CA LEU A 48 -16.547 15.115 -24.818 1.00 41.53 C ATOM 723 C LEU A 48 -16.193 16.568 -25.122 1.00 31.23 C ATOM 724 O LEU A 48 -15.644 16.875 -26.180 1.00 61.13 O ATOM 725 CB LEU A 48 -15.385 14.437 -24.090 1.00 72.02 C ATOM 726 CG LEU A 48 -15.312 12.915 -24.215 1.00 60.23 C ATOM 727 CD1 LEU A 48 -16.700 12.303 -24.105 1.00 62.23 C ATOM 728 CD2 LEU A 48 -14.655 12.519 -25.530 1.00 31.44 C ATOM 0 H LEU A 48 -16.058 14.152 -26.616 1.00 64.31 H new ATOM 0 HA LEU A 48 -17.427 15.101 -24.175 1.00 41.53 H new ATOM 0 HB2 LEU A 48 -14.452 14.858 -24.466 1.00 72.02 H new ATOM 0 HB3 LEU A 48 -15.447 14.692 -23.032 1.00 72.02 H new ATOM 0 HG LEU A 48 -14.702 12.531 -23.397 1.00 60.23 H new ATOM 0 HD11 LEU A 48 -16.628 11.219 -24.196 1.00 62.23 H new ATOM 0 HD12 LEU A 48 -17.134 12.558 -23.138 1.00 62.23 H new ATOM 0 HD13 LEU A 48 -17.334 12.693 -24.902 1.00 62.23 H new ATOM 0 HD21 LEU A 48 -14.611 11.432 -25.602 1.00 31.44 H new ATOM 0 HD22 LEU A 48 -15.238 12.915 -26.362 1.00 31.44 H new ATOM 0 HD23 LEU A 48 -13.645 12.926 -25.569 1.00 31.44 H new ATOM 740 N ILE A 49 -16.509 17.456 -24.186 1.00 12.32 N ATOM 741 CA ILE A 49 -16.222 18.876 -24.352 1.00 65.51 C ATOM 742 C ILE A 49 -15.733 19.494 -23.047 1.00 24.02 C ATOM 743 O ILE A 49 -16.380 19.369 -22.007 1.00 71.31 O ATOM 744 CB ILE A 49 -17.461 19.648 -24.840 1.00 73.13 C ATOM 745 CG1 ILE A 49 -17.645 19.461 -26.348 1.00 21.33 C ATOM 746 CG2 ILE A 49 -17.335 21.124 -24.496 1.00 11.32 C ATOM 747 CD1 ILE A 49 -18.961 18.816 -26.721 1.00 33.33 C ATOM 0 H ILE A 49 -16.964 17.218 -23.305 1.00 12.32 H new ATOM 0 HA ILE A 49 -15.437 18.953 -25.104 1.00 65.51 H new ATOM 0 HB ILE A 49 -18.341 19.251 -24.334 1.00 73.13 H new ATOM 0 HG12 ILE A 49 -17.574 20.432 -26.838 1.00 21.33 H new ATOM 0 HG13 ILE A 49 -16.828 18.850 -26.732 1.00 21.33 H new ATOM 0 HG21 ILE A 49 -18.219 21.656 -24.848 1.00 11.32 H new ATOM 0 HG22 ILE A 49 -17.248 21.240 -23.416 1.00 11.32 H new ATOM 0 HG23 ILE A 49 -16.448 21.535 -24.978 1.00 11.32 H new ATOM 0 HD11 ILE A 49 -19.022 18.715 -27.805 1.00 33.33 H new ATOM 0 HD12 ILE A 49 -19.027 17.830 -26.260 1.00 33.33 H new ATOM 0 HD13 ILE A 49 -19.784 19.437 -26.367 1.00 33.33 H new ATOM 759 N PHE A 50 -14.586 20.164 -23.109 1.00 34.45 N ATOM 760 CA PHE A 50 -14.010 20.803 -21.931 1.00 53.24 C ATOM 761 C PHE A 50 -13.897 22.311 -22.133 1.00 1.53 C ATOM 762 O PHE A 50 -13.071 22.784 -22.912 1.00 41.42 O ATOM 763 CB PHE A 50 -12.632 20.213 -21.627 1.00 61.23 C ATOM 764 CG PHE A 50 -11.931 20.886 -20.482 1.00 61.11 C ATOM 765 CD1 PHE A 50 -12.125 20.450 -19.181 1.00 53.22 C ATOM 766 CD2 PHE A 50 -11.077 21.954 -20.706 1.00 71.24 C ATOM 767 CE1 PHE A 50 -11.482 21.068 -18.126 1.00 11.44 C ATOM 768 CE2 PHE A 50 -10.431 22.576 -19.655 1.00 22.33 C ATOM 769 CZ PHE A 50 -10.633 22.132 -18.363 1.00 21.43 C ATOM 0 H PHE A 50 -14.038 20.278 -23.962 1.00 34.45 H new ATOM 0 HA PHE A 50 -14.672 20.615 -21.085 1.00 53.24 H new ATOM 0 HB2 PHE A 50 -12.741 19.152 -21.402 1.00 61.23 H new ATOM 0 HB3 PHE A 50 -12.009 20.288 -22.518 1.00 61.23 H new ATOM 0 HD1 PHE A 50 -12.786 19.618 -18.990 1.00 53.22 H new ATOM 0 HD2 PHE A 50 -10.914 22.304 -21.715 1.00 71.24 H new ATOM 0 HE1 PHE A 50 -11.643 20.720 -17.116 1.00 11.44 H new ATOM 0 HE2 PHE A 50 -9.769 23.408 -19.844 1.00 22.33 H new ATOM 0 HZ PHE A 50 -10.128 22.615 -17.540 1.00 21.43 H new ATOM 779 N GLY A 51 -14.735 23.062 -21.423 1.00 64.04 N ATOM 780 CA GLY A 51 -14.713 24.509 -21.538 1.00 74.53 C ATOM 781 C GLY A 51 -15.317 24.996 -22.840 1.00 73.45 C ATOM 782 O GLY A 51 -15.428 26.199 -23.070 1.00 3.22 O ATOM 0 H GLY A 51 -15.428 22.694 -20.771 1.00 64.04 H new ATOM 0 HA2 GLY A 51 -15.260 24.945 -20.702 1.00 74.53 H new ATOM 0 HA3 GLY A 51 -13.684 24.861 -21.464 1.00 74.53 H new ATOM 786 N GLY A 52 -15.708 24.057 -23.698 1.00 14.25 N ATOM 787 CA GLY A 52 -16.298 24.417 -24.974 1.00 4.31 C ATOM 788 C GLY A 52 -15.650 23.692 -26.137 1.00 33.33 C ATOM 789 O GLY A 52 -16.268 23.508 -27.186 1.00 33.35 O ATOM 0 H GLY A 52 -15.626 23.054 -23.531 1.00 14.25 H new ATOM 0 HA2 GLY A 52 -17.364 24.188 -24.956 1.00 4.31 H new ATOM 0 HA3 GLY A 52 -16.205 25.493 -25.123 1.00 4.31 H new ATOM 793 N LYS A 53 -14.401 23.279 -25.953 1.00 3.13 N ATOM 794 CA LYS A 53 -13.667 22.570 -26.994 1.00 75.24 C ATOM 795 C LYS A 53 -13.810 21.060 -26.828 1.00 43.21 C ATOM 796 O LYS A 53 -13.890 20.556 -25.709 1.00 22.54 O ATOM 797 CB LYS A 53 -12.188 22.960 -26.961 1.00 51.04 C ATOM 798 CG LYS A 53 -11.511 22.667 -25.634 1.00 32.03 C ATOM 799 CD LYS A 53 -10.866 21.292 -25.629 1.00 25.55 C ATOM 800 CE LYS A 53 -9.750 21.196 -26.658 1.00 25.25 C ATOM 801 NZ LYS A 53 -8.517 20.588 -26.084 1.00 60.01 N ATOM 0 H LYS A 53 -13.875 23.423 -25.091 1.00 3.13 H new ATOM 0 HA LYS A 53 -14.089 22.854 -27.958 1.00 75.24 H new ATOM 0 HB2 LYS A 53 -11.663 22.426 -27.753 1.00 51.04 H new ATOM 0 HB3 LYS A 53 -12.097 24.024 -27.179 1.00 51.04 H new ATOM 0 HG2 LYS A 53 -10.754 23.426 -25.435 1.00 32.03 H new ATOM 0 HG3 LYS A 53 -12.244 22.729 -24.829 1.00 32.03 H new ATOM 0 HD2 LYS A 53 -10.467 21.080 -24.637 1.00 25.55 H new ATOM 0 HD3 LYS A 53 -11.621 20.534 -25.838 1.00 25.55 H new ATOM 0 HE2 LYS A 53 -10.088 20.600 -27.506 1.00 25.25 H new ATOM 0 HE3 LYS A 53 -9.521 22.191 -27.039 1.00 25.25 H new ATOM 0 HZ1 LYS A 53 -7.780 20.540 -26.816 1.00 60.01 H new ATOM 0 HZ2 LYS A 53 -8.180 21.170 -25.291 1.00 60.01 H new ATOM 0 HZ3 LYS A 53 -8.729 19.629 -25.743 1.00 60.01 H new ATOM 815 N GLN A 54 -13.839 20.346 -27.949 1.00 1.13 N ATOM 816 CA GLN A 54 -13.971 18.894 -27.925 1.00 44.15 C ATOM 817 C GLN A 54 -12.681 18.238 -27.442 1.00 53.32 C ATOM 818 O GLN A 54 -11.621 18.865 -27.427 1.00 50.25 O ATOM 819 CB GLN A 54 -14.332 18.371 -29.317 1.00 12.42 C ATOM 820 CG GLN A 54 -15.818 18.111 -29.502 1.00 15.33 C ATOM 821 CD GLN A 54 -16.553 19.307 -30.075 1.00 13.14 C ATOM 822 OE1 GLN A 54 -16.332 20.444 -29.658 1.00 44.52 O ATOM 823 NE2 GLN A 54 -17.434 19.056 -31.036 1.00 34.12 N ATOM 0 H GLN A 54 -13.773 20.749 -28.884 1.00 1.13 H new ATOM 0 HA GLN A 54 -14.770 18.638 -27.229 1.00 44.15 H new ATOM 0 HB2 GLN A 54 -14.002 19.093 -30.064 1.00 12.42 H new ATOM 0 HB3 GLN A 54 -13.784 17.447 -29.502 1.00 12.42 H new ATOM 0 HG2 GLN A 54 -15.954 17.255 -30.163 1.00 15.33 H new ATOM 0 HG3 GLN A 54 -16.259 17.845 -28.541 1.00 15.33 H new ATOM 0 HE21 GLN A 54 -17.586 18.098 -31.351 1.00 34.12 H new ATOM 0 HE22 GLN A 54 -17.959 19.821 -31.459 1.00 34.12 H new ATOM 832 N LEU A 55 -12.779 16.974 -27.047 1.00 62.20 N ATOM 833 CA LEU A 55 -11.620 16.232 -26.562 1.00 42.13 C ATOM 834 C LEU A 55 -11.259 15.100 -27.519 1.00 20.14 C ATOM 835 O LEU A 55 -12.096 14.259 -27.843 1.00 33.53 O ATOM 836 CB LEU A 55 -11.897 15.668 -25.168 1.00 13.23 C ATOM 837 CG LEU A 55 -12.366 16.676 -24.117 1.00 74.34 C ATOM 838 CD1 LEU A 55 -12.451 16.019 -22.748 1.00 75.04 C ATOM 839 CD2 LEU A 55 -11.434 17.878 -24.077 1.00 60.45 C ATOM 0 H LEU A 55 -13.649 16.441 -27.053 1.00 62.20 H new ATOM 0 HA LEU A 55 -10.776 16.920 -26.507 1.00 42.13 H new ATOM 0 HB2 LEU A 55 -12.653 14.888 -25.257 1.00 13.23 H new ATOM 0 HB3 LEU A 55 -10.987 15.190 -24.804 1.00 13.23 H new ATOM 0 HG LEU A 55 -13.362 17.023 -24.393 1.00 74.34 H new ATOM 0 HD11 LEU A 55 -12.786 16.751 -22.013 1.00 75.04 H new ATOM 0 HD12 LEU A 55 -13.159 15.191 -22.785 1.00 75.04 H new ATOM 0 HD13 LEU A 55 -11.468 15.643 -22.463 1.00 75.04 H new ATOM 0 HD21 LEU A 55 -11.783 18.584 -23.324 1.00 60.45 H new ATOM 0 HD22 LEU A 55 -10.426 17.549 -23.826 1.00 60.45 H new ATOM 0 HD23 LEU A 55 -11.424 18.364 -25.053 1.00 60.45 H new ATOM 851 N GLU A 56 -10.007 15.085 -27.965 1.00 3.24 N ATOM 852 CA GLU A 56 -9.536 14.055 -28.883 1.00 24.14 C ATOM 853 C GLU A 56 -9.518 12.688 -28.204 1.00 54.21 C ATOM 854 O GLU A 56 -9.964 12.543 -27.066 1.00 24.15 O ATOM 855 CB GLU A 56 -8.136 14.399 -29.396 1.00 2.31 C ATOM 856 CG GLU A 56 -8.036 14.439 -30.912 1.00 30.14 C ATOM 857 CD GLU A 56 -8.877 15.542 -31.523 1.00 13.51 C ATOM 858 OE1 GLU A 56 -9.288 16.457 -30.778 1.00 31.45 O ATOM 859 OE2 GLU A 56 -9.125 15.492 -32.746 1.00 12.23 O ATOM 0 H GLU A 56 -9.301 15.774 -27.706 1.00 3.24 H new ATOM 0 HA GLU A 56 -10.225 14.014 -29.727 1.00 24.14 H new ATOM 0 HB2 GLU A 56 -7.839 15.368 -28.995 1.00 2.31 H new ATOM 0 HB3 GLU A 56 -7.427 13.665 -29.013 1.00 2.31 H new ATOM 0 HG2 GLU A 56 -6.994 14.580 -31.200 1.00 30.14 H new ATOM 0 HG3 GLU A 56 -8.352 13.478 -31.319 1.00 30.14 H new ATOM 866 N ASP A 57 -9.002 11.690 -28.912 1.00 32.52 N ATOM 867 CA ASP A 57 -8.926 10.334 -28.379 1.00 51.20 C ATOM 868 C ASP A 57 -7.828 10.225 -27.326 1.00 44.11 C ATOM 869 O ASP A 57 -7.900 9.391 -26.424 1.00 4.13 O ATOM 870 CB ASP A 57 -8.670 9.334 -29.507 1.00 23.50 C ATOM 871 CG ASP A 57 -9.776 9.334 -30.544 1.00 21.14 C ATOM 872 OD1 ASP A 57 -10.958 9.239 -30.151 1.00 22.42 O ATOM 873 OD2 ASP A 57 -9.460 9.430 -31.748 1.00 0.33 O ATOM 0 H ASP A 57 -8.630 11.794 -29.856 1.00 32.52 H new ATOM 0 HA ASP A 57 -9.881 10.101 -27.907 1.00 51.20 H new ATOM 0 HB2 ASP A 57 -7.723 9.571 -29.991 1.00 23.50 H new ATOM 0 HB3 ASP A 57 -8.571 8.334 -29.086 1.00 23.50 H new ATOM 878 N SER A 58 -6.811 11.073 -27.449 1.00 21.51 N ATOM 879 CA SER A 58 -5.695 11.068 -26.511 1.00 5.22 C ATOM 880 C SER A 58 -5.707 12.325 -25.646 1.00 44.11 C ATOM 881 O SER A 58 -4.804 12.546 -24.841 1.00 24.05 O ATOM 882 CB SER A 58 -4.367 10.967 -27.265 1.00 54.11 C ATOM 883 OG SER A 58 -3.281 10.818 -26.368 1.00 22.12 O ATOM 0 H SER A 58 -6.737 11.771 -28.189 1.00 21.51 H new ATOM 0 HA SER A 58 -5.803 10.199 -25.861 1.00 5.22 H new ATOM 0 HB2 SER A 58 -4.397 10.118 -27.949 1.00 54.11 H new ATOM 0 HB3 SER A 58 -4.221 11.860 -27.872 1.00 54.11 H new ATOM 0 HG SER A 58 -3.406 11.415 -25.601 1.00 22.12 H new ATOM 889 N ASN A 59 -6.738 13.146 -25.820 1.00 65.44 N ATOM 890 CA ASN A 59 -6.868 14.381 -25.057 1.00 53.40 C ATOM 891 C ASN A 59 -7.548 14.123 -23.716 1.00 22.13 C ATOM 892 O ASN A 59 -8.748 14.349 -23.562 1.00 44.24 O ATOM 893 CB ASN A 59 -7.665 15.416 -25.854 1.00 74.12 C ATOM 894 CG ASN A 59 -7.339 16.839 -25.443 1.00 74.24 C ATOM 895 OD1 ASN A 59 -6.786 17.611 -26.226 1.00 53.42 O ATOM 896 ND2 ASN A 59 -7.682 17.191 -24.210 1.00 5.43 N ATOM 0 H ASN A 59 -7.495 12.978 -26.483 1.00 65.44 H new ATOM 0 HA ASN A 59 -5.867 14.769 -24.868 1.00 53.40 H new ATOM 0 HB2 ASN A 59 -7.457 15.291 -26.917 1.00 74.12 H new ATOM 0 HB3 ASN A 59 -8.731 15.236 -25.715 1.00 74.12 H new ATOM 0 HD21 ASN A 59 -7.489 18.135 -23.877 1.00 5.43 H new ATOM 0 HD22 ASN A 59 -8.139 16.517 -23.596 1.00 5.43 H new ATOM 903 N ALA A 60 -6.771 13.648 -22.747 1.00 75.12 N ATOM 904 CA ALA A 60 -7.297 13.361 -21.418 1.00 52.22 C ATOM 905 C ALA A 60 -6.182 12.949 -20.464 1.00 23.41 C ATOM 906 O ALA A 60 -5.681 13.764 -19.690 1.00 40.01 O ATOM 907 CB ALA A 60 -8.359 12.274 -21.494 1.00 22.11 C ATOM 0 H ALA A 60 -5.776 13.454 -22.858 1.00 75.12 H new ATOM 0 HA ALA A 60 -7.753 14.272 -21.030 1.00 52.22 H new ATOM 0 HB1 ALA A 60 -8.743 12.070 -20.494 1.00 22.11 H new ATOM 0 HB2 ALA A 60 -9.175 12.607 -22.135 1.00 22.11 H new ATOM 0 HB3 ALA A 60 -7.921 11.365 -21.907 1.00 22.11 H new ATOM 913 N MET A 61 -5.798 11.678 -20.524 1.00 63.31 N ATOM 914 CA MET A 61 -4.740 11.158 -19.665 1.00 35.33 C ATOM 915 C MET A 61 -3.378 11.691 -20.095 1.00 40.44 C ATOM 916 O MET A 61 -2.695 12.369 -19.327 1.00 72.23 O ATOM 917 CB MET A 61 -4.735 9.628 -19.695 1.00 50.13 C ATOM 918 CG MET A 61 -6.126 9.015 -19.686 1.00 40.11 C ATOM 919 SD MET A 61 -7.191 9.729 -18.418 1.00 70.41 S ATOM 920 CE MET A 61 -8.774 9.710 -19.256 1.00 10.20 C ATOM 0 H MET A 61 -6.203 10.989 -21.158 1.00 63.31 H new ATOM 0 HA MET A 61 -4.936 11.494 -18.647 1.00 35.33 H new ATOM 0 HB2 MET A 61 -4.205 9.292 -20.586 1.00 50.13 H new ATOM 0 HB3 MET A 61 -4.178 9.258 -18.834 1.00 50.13 H new ATOM 0 HG2 MET A 61 -6.587 9.155 -20.664 1.00 40.11 H new ATOM 0 HG3 MET A 61 -6.044 7.940 -19.524 1.00 40.11 H new ATOM 0 HE1 MET A 61 -9.380 10.547 -18.908 1.00 10.20 H new ATOM 0 HE2 MET A 61 -8.618 9.797 -20.331 1.00 10.20 H new ATOM 0 HE3 MET A 61 -9.289 8.774 -19.039 1.00 10.20 H new ATOM 930 N SER A 62 -2.988 11.381 -21.328 1.00 15.31 N ATOM 931 CA SER A 62 -1.705 11.826 -21.859 1.00 14.52 C ATOM 932 C SER A 62 -1.600 13.348 -21.821 1.00 13.12 C ATOM 933 O SER A 62 -0.521 13.902 -21.612 1.00 64.33 O ATOM 934 CB SER A 62 -1.522 11.327 -23.293 1.00 71.12 C ATOM 935 OG SER A 62 -0.896 12.310 -24.099 1.00 64.33 O ATOM 0 H SER A 62 -3.543 10.823 -21.978 1.00 15.31 H new ATOM 0 HA SER A 62 -0.916 11.409 -21.233 1.00 14.52 H new ATOM 0 HB2 SER A 62 -0.921 10.417 -23.291 1.00 71.12 H new ATOM 0 HB3 SER A 62 -2.492 11.068 -23.718 1.00 71.12 H new ATOM 0 HG SER A 62 -0.789 11.966 -25.010 1.00 64.33 H new ATOM 941 N ASP A 63 -2.729 14.018 -22.024 1.00 34.21 N ATOM 942 CA ASP A 63 -2.766 15.476 -22.012 1.00 73.41 C ATOM 943 C ASP A 63 -2.285 16.021 -20.671 1.00 62.41 C ATOM 944 O ASP A 63 -1.845 17.167 -20.577 1.00 61.22 O ATOM 945 CB ASP A 63 -4.184 15.974 -22.300 1.00 25.52 C ATOM 946 CG ASP A 63 -4.204 17.406 -22.795 1.00 15.31 C ATOM 947 OD1 ASP A 63 -3.887 17.628 -23.982 1.00 11.11 O ATOM 948 OD2 ASP A 63 -4.538 18.306 -21.995 1.00 45.00 O ATOM 0 H ASP A 63 -3.631 13.575 -22.199 1.00 34.21 H new ATOM 0 HA ASP A 63 -2.096 15.838 -22.792 1.00 73.41 H new ATOM 0 HB2 ASP A 63 -4.649 15.328 -23.045 1.00 25.52 H new ATOM 0 HB3 ASP A 63 -4.784 15.897 -21.393 1.00 25.52 H new ATOM 953 N TYR A 64 -2.372 15.192 -19.636 1.00 40.53 N ATOM 954 CA TYR A 64 -1.949 15.592 -18.300 1.00 4.44 C ATOM 955 C TYR A 64 -2.970 16.530 -17.662 1.00 61.52 C ATOM 956 O TYR A 64 -2.610 17.541 -17.061 1.00 34.44 O ATOM 957 CB TYR A 64 -0.581 16.274 -18.358 1.00 3.52 C ATOM 958 CG TYR A 64 0.408 15.572 -19.261 1.00 1.32 C ATOM 959 CD1 TYR A 64 0.833 14.278 -18.986 1.00 52.41 C ATOM 960 CD2 TYR A 64 0.917 16.203 -20.390 1.00 32.13 C ATOM 961 CE1 TYR A 64 1.737 13.634 -19.808 1.00 74.40 C ATOM 962 CE2 TYR A 64 1.820 15.565 -21.218 1.00 51.22 C ATOM 963 CZ TYR A 64 2.227 14.281 -20.923 1.00 20.11 C ATOM 964 OH TYR A 64 3.126 13.641 -21.745 1.00 4.51 O ATOM 0 H TYR A 64 -2.732 14.239 -19.697 1.00 40.53 H new ATOM 0 HA TYR A 64 -1.875 14.694 -17.687 1.00 4.44 H new ATOM 0 HB2 TYR A 64 -0.710 17.300 -18.703 1.00 3.52 H new ATOM 0 HB3 TYR A 64 -0.167 16.326 -17.351 1.00 3.52 H new ATOM 0 HD1 TYR A 64 0.450 13.767 -18.115 1.00 52.41 H new ATOM 0 HD2 TYR A 64 0.601 17.209 -20.624 1.00 32.13 H new ATOM 0 HE1 TYR A 64 2.059 12.629 -19.579 1.00 74.40 H new ATOM 0 HE2 TYR A 64 2.205 16.069 -22.092 1.00 51.22 H new ATOM 0 HH TYR A 64 3.371 14.234 -22.486 1.00 4.51 H new ATOM 974 N ASN A 65 -4.246 16.184 -17.799 1.00 11.31 N ATOM 975 CA ASN A 65 -5.321 16.994 -17.237 1.00 33.32 C ATOM 976 C ASN A 65 -6.330 16.120 -16.497 1.00 51.23 C ATOM 977 O ASN A 65 -7.447 16.550 -16.210 1.00 54.33 O ATOM 978 CB ASN A 65 -6.026 17.782 -18.343 1.00 31.32 C ATOM 979 CG ASN A 65 -6.896 18.896 -17.794 1.00 41.31 C ATOM 980 OD1 ASN A 65 -6.487 19.633 -16.896 1.00 73.40 O ATOM 981 ND2 ASN A 65 -8.103 19.025 -18.333 1.00 64.23 N ATOM 0 H ASN A 65 -4.561 15.349 -18.294 1.00 11.31 H new ATOM 0 HA ASN A 65 -4.882 17.693 -16.526 1.00 33.32 H new ATOM 0 HB2 ASN A 65 -5.280 18.205 -19.016 1.00 31.32 H new ATOM 0 HB3 ASN A 65 -6.640 17.103 -18.934 1.00 31.32 H new ATOM 0 HD21 ASN A 65 -8.733 19.757 -18.005 1.00 64.23 H new ATOM 0 HD22 ASN A 65 -8.400 18.392 -19.075 1.00 64.23 H new ATOM 988 N VAL A 66 -5.928 14.891 -16.191 1.00 22.12 N ATOM 989 CA VAL A 66 -6.795 13.957 -15.483 1.00 72.21 C ATOM 990 C VAL A 66 -6.627 14.086 -13.973 1.00 43.34 C ATOM 991 O VAL A 66 -5.513 14.008 -13.455 1.00 34.31 O ATOM 992 CB VAL A 66 -6.509 12.501 -15.897 1.00 52.15 C ATOM 993 CG1 VAL A 66 -5.108 12.090 -15.471 1.00 34.34 C ATOM 994 CG2 VAL A 66 -7.552 11.565 -15.307 1.00 32.35 C ATOM 0 H VAL A 66 -5.007 14.519 -16.422 1.00 22.12 H new ATOM 0 HA VAL A 66 -7.820 14.210 -15.754 1.00 72.21 H new ATOM 0 HB VAL A 66 -6.566 12.432 -16.983 1.00 52.15 H new ATOM 0 HG11 VAL A 66 -4.924 11.059 -15.772 1.00 34.34 H new ATOM 0 HG12 VAL A 66 -4.377 12.743 -15.947 1.00 34.34 H new ATOM 0 HG13 VAL A 66 -5.018 12.174 -14.388 1.00 34.34 H new ATOM 0 HG21 VAL A 66 -7.334 10.541 -15.610 1.00 32.35 H new ATOM 0 HG22 VAL A 66 -7.530 11.635 -14.219 1.00 32.35 H new ATOM 0 HG23 VAL A 66 -8.541 11.848 -15.668 1.00 32.35 H new ATOM 1004 N GLN A 67 -7.739 14.285 -13.274 1.00 75.22 N ATOM 1005 CA GLN A 67 -7.714 14.425 -11.823 1.00 54.41 C ATOM 1006 C GLN A 67 -8.608 13.383 -11.160 1.00 33.13 C ATOM 1007 O GLN A 67 -9.201 12.539 -11.832 1.00 70.12 O ATOM 1008 CB GLN A 67 -8.162 15.831 -11.418 1.00 74.30 C ATOM 1009 CG GLN A 67 -9.602 16.142 -11.793 1.00 53.12 C ATOM 1010 CD GLN A 67 -10.257 17.117 -10.835 1.00 13.21 C ATOM 1011 OE1 GLN A 67 -10.421 16.826 -9.650 1.00 21.32 O ATOM 1012 NE2 GLN A 67 -10.636 18.284 -11.344 1.00 32.31 N ATOM 0 H GLN A 67 -8.668 14.353 -13.689 1.00 75.22 H new ATOM 0 HA GLN A 67 -6.690 14.266 -11.485 1.00 54.41 H new ATOM 0 HB2 GLN A 67 -8.043 15.945 -10.341 1.00 74.30 H new ATOM 0 HB3 GLN A 67 -7.506 16.562 -11.890 1.00 74.30 H new ATOM 0 HG2 GLN A 67 -9.630 16.555 -12.801 1.00 53.12 H new ATOM 0 HG3 GLN A 67 -10.177 15.216 -11.812 1.00 53.12 H new ATOM 0 HE21 GLN A 67 -10.481 18.484 -12.332 1.00 32.31 H new ATOM 0 HE22 GLN A 67 -11.082 18.980 -10.747 1.00 32.31 H new ATOM 1021 N LYS A 68 -8.701 13.447 -9.836 1.00 22.53 N ATOM 1022 CA LYS A 68 -9.523 12.509 -9.080 1.00 1.12 C ATOM 1023 C LYS A 68 -11.006 12.756 -9.337 1.00 60.01 C ATOM 1024 O LYS A 68 -11.814 11.829 -9.299 1.00 61.44 O ATOM 1025 CB LYS A 68 -9.227 12.631 -7.583 1.00 42.23 C ATOM 1026 CG LYS A 68 -9.689 11.433 -6.772 1.00 53.21 C ATOM 1027 CD LYS A 68 -8.867 10.195 -7.087 1.00 43.22 C ATOM 1028 CE LYS A 68 -7.570 10.170 -6.292 1.00 54.10 C ATOM 1029 NZ LYS A 68 -7.820 10.152 -4.824 1.00 74.31 N ATOM 0 H LYS A 68 -8.217 14.139 -9.264 1.00 22.53 H new ATOM 0 HA LYS A 68 -9.277 11.500 -9.412 1.00 1.12 H new ATOM 0 HB2 LYS A 68 -8.154 12.762 -7.443 1.00 42.23 H new ATOM 0 HB3 LYS A 68 -9.711 13.528 -7.198 1.00 42.23 H new ATOM 0 HG2 LYS A 68 -9.612 11.661 -5.709 1.00 53.21 H new ATOM 0 HG3 LYS A 68 -10.740 11.235 -6.980 1.00 53.21 H new ATOM 0 HD2 LYS A 68 -9.451 9.302 -6.861 1.00 43.22 H new ATOM 0 HD3 LYS A 68 -8.642 10.168 -8.153 1.00 43.22 H new ATOM 0 HE2 LYS A 68 -6.989 9.291 -6.572 1.00 54.10 H new ATOM 0 HE3 LYS A 68 -6.970 11.044 -6.548 1.00 54.10 H new ATOM 0 HZ1 LYS A 68 -7.014 9.707 -4.340 1.00 74.31 H new ATOM 0 HZ2 LYS A 68 -7.935 11.126 -4.480 1.00 74.31 H new ATOM 0 HZ3 LYS A 68 -8.685 9.610 -4.626 1.00 74.31 H new ATOM 1043 N GLU A 69 -11.356 14.011 -9.600 1.00 4.42 N ATOM 1044 CA GLU A 69 -12.742 14.378 -9.864 1.00 1.20 C ATOM 1045 C GLU A 69 -12.819 15.535 -10.857 1.00 30.43 C ATOM 1046 O GLU A 69 -13.054 16.681 -10.474 1.00 22.31 O ATOM 1047 CB GLU A 69 -13.448 14.761 -8.562 1.00 14.41 C ATOM 1048 CG GLU A 69 -13.647 13.593 -7.611 1.00 13.32 C ATOM 1049 CD GLU A 69 -14.052 14.037 -6.218 1.00 40.14 C ATOM 1050 OE1 GLU A 69 -14.196 15.259 -6.004 1.00 43.13 O ATOM 1051 OE2 GLU A 69 -14.225 13.163 -5.343 1.00 44.33 O ATOM 0 H GLU A 69 -10.699 14.790 -9.636 1.00 4.42 H new ATOM 0 HA GLU A 69 -13.243 13.514 -10.300 1.00 1.20 H new ATOM 0 HB2 GLU A 69 -12.868 15.534 -8.058 1.00 14.41 H new ATOM 0 HB3 GLU A 69 -14.419 15.195 -8.799 1.00 14.41 H new ATOM 0 HG2 GLU A 69 -14.412 12.928 -8.013 1.00 13.32 H new ATOM 0 HG3 GLU A 69 -12.724 13.017 -7.551 1.00 13.32 H new ATOM 1058 N SER A 70 -12.619 15.225 -12.134 1.00 30.23 N ATOM 1059 CA SER A 70 -12.661 16.238 -13.182 1.00 32.13 C ATOM 1060 C SER A 70 -14.067 16.362 -13.761 1.00 12.01 C ATOM 1061 O SER A 70 -14.678 15.370 -14.159 1.00 61.43 O ATOM 1062 CB SER A 70 -11.668 15.894 -14.293 1.00 60.13 C ATOM 1063 OG SER A 70 -12.310 15.851 -15.556 1.00 11.22 O ATOM 0 H SER A 70 -12.426 14.281 -12.468 1.00 30.23 H new ATOM 0 HA SER A 70 -12.383 17.195 -12.740 1.00 32.13 H new ATOM 0 HB2 SER A 70 -10.869 16.635 -14.313 1.00 60.13 H new ATOM 0 HB3 SER A 70 -11.204 14.930 -14.085 1.00 60.13 H new ATOM 0 HG SER A 70 -11.653 15.631 -16.249 1.00 11.22 H new ATOM 1069 N THR A 71 -14.576 17.589 -13.805 1.00 13.44 N ATOM 1070 CA THR A 71 -15.910 17.845 -14.333 1.00 51.34 C ATOM 1071 C THR A 71 -15.854 18.222 -15.809 1.00 65.45 C ATOM 1072 O THR A 71 -15.308 19.264 -16.175 1.00 23.34 O ATOM 1073 CB THR A 71 -16.617 18.971 -13.555 1.00 4.11 C ATOM 1074 OG1 THR A 71 -15.681 20.007 -13.235 1.00 31.15 O ATOM 1075 CG2 THR A 71 -17.244 18.434 -12.277 1.00 40.43 C ATOM 0 H THR A 71 -14.084 18.422 -13.481 1.00 13.44 H new ATOM 0 HA THR A 71 -16.477 16.922 -14.217 1.00 51.34 H new ATOM 0 HB THR A 71 -17.408 19.378 -14.185 1.00 4.11 H new ATOM 0 HG1 THR A 71 -15.150 20.225 -14.029 1.00 31.15 H new ATOM 0 HG21 THR A 71 -17.737 19.247 -11.744 1.00 40.43 H new ATOM 0 HG22 THR A 71 -17.976 17.666 -12.526 1.00 40.43 H new ATOM 0 HG23 THR A 71 -16.468 18.004 -11.644 1.00 40.43 H new ATOM 1083 N LEU A 72 -16.421 17.368 -16.655 1.00 1.32 N ATOM 1084 CA LEU A 72 -16.436 17.612 -18.093 1.00 61.11 C ATOM 1085 C LEU A 72 -17.848 17.479 -18.653 1.00 54.12 C ATOM 1086 O LEU A 72 -18.679 16.754 -18.105 1.00 54.11 O ATOM 1087 CB LEU A 72 -15.499 16.635 -18.805 1.00 45.34 C ATOM 1088 CG LEU A 72 -16.122 15.313 -19.255 1.00 51.51 C ATOM 1089 CD1 LEU A 72 -16.454 15.357 -20.739 1.00 11.34 C ATOM 1090 CD2 LEU A 72 -15.188 14.152 -18.950 1.00 23.21 C ATOM 0 H LEU A 72 -16.876 16.501 -16.370 1.00 1.32 H new ATOM 0 HA LEU A 72 -16.090 18.631 -18.268 1.00 61.11 H new ATOM 0 HB2 LEU A 72 -15.084 17.134 -19.680 1.00 45.34 H new ATOM 0 HB3 LEU A 72 -14.665 16.412 -18.139 1.00 45.34 H new ATOM 0 HG LEU A 72 -17.048 15.163 -18.701 1.00 51.51 H new ATOM 0 HD11 LEU A 72 -16.896 14.408 -21.041 1.00 11.34 H new ATOM 0 HD12 LEU A 72 -17.161 16.164 -20.930 1.00 11.34 H new ATOM 0 HD13 LEU A 72 -15.542 15.531 -21.311 1.00 11.34 H new ATOM 0 HD21 LEU A 72 -15.648 13.219 -19.277 1.00 23.21 H new ATOM 0 HD22 LEU A 72 -14.245 14.296 -19.477 1.00 23.21 H new ATOM 0 HD23 LEU A 72 -15.001 14.108 -17.877 1.00 23.21 H new ATOM 1102 N HIS A 73 -18.113 18.182 -19.750 1.00 12.22 N ATOM 1103 CA HIS A 73 -19.425 18.141 -20.386 1.00 61.44 C ATOM 1104 C HIS A 73 -19.433 17.154 -21.550 1.00 41.12 C ATOM 1105 O HIS A 73 -18.664 17.295 -22.502 1.00 61.52 O ATOM 1106 CB HIS A 73 -19.820 19.533 -20.880 1.00 61.21 C ATOM 1107 CG HIS A 73 -19.809 20.575 -19.805 1.00 3.14 C ATOM 1108 ND1 HIS A 73 -19.720 21.926 -20.067 1.00 15.03 N ATOM 1109 CD2 HIS A 73 -19.877 20.458 -18.458 1.00 10.42 C ATOM 1110 CE1 HIS A 73 -19.733 22.595 -18.928 1.00 12.03 C ATOM 1111 NE2 HIS A 73 -19.828 21.728 -17.936 1.00 70.31 N ATOM 0 H HIS A 73 -17.437 18.787 -20.217 1.00 12.22 H new ATOM 0 HA HIS A 73 -20.151 17.808 -19.644 1.00 61.44 H new ATOM 0 HB2 HIS A 73 -19.137 19.835 -21.674 1.00 61.21 H new ATOM 0 HB3 HIS A 73 -20.817 19.485 -21.318 1.00 61.21 H new ATOM 0 HD2 HIS A 73 -19.955 19.538 -17.898 1.00 10.42 H new ATOM 0 HE1 HIS A 73 -19.676 23.669 -18.825 1.00 12.03 H new ATOM 0 HE2 HIS A 73 -19.860 21.963 -16.944 1.00 70.31 H new ATOM 1119 N LEU A 74 -20.306 16.156 -21.467 1.00 44.03 N ATOM 1120 CA LEU A 74 -20.413 15.145 -22.513 1.00 74.04 C ATOM 1121 C LEU A 74 -21.662 15.369 -23.361 1.00 5.21 C ATOM 1122 O LEU A 74 -22.784 15.318 -22.858 1.00 20.02 O ATOM 1123 CB LEU A 74 -20.447 13.746 -21.896 1.00 62.31 C ATOM 1124 CG LEU A 74 -21.164 12.669 -22.712 1.00 3.22 C ATOM 1125 CD1 LEU A 74 -20.497 12.494 -24.067 1.00 63.03 C ATOM 1126 CD2 LEU A 74 -21.186 11.351 -21.952 1.00 72.00 C ATOM 0 H LEU A 74 -20.950 16.025 -20.687 1.00 44.03 H new ATOM 0 HA LEU A 74 -19.538 15.230 -23.157 1.00 74.04 H new ATOM 0 HB2 LEU A 74 -19.421 13.421 -21.725 1.00 62.31 H new ATOM 0 HB3 LEU A 74 -20.927 13.813 -20.919 1.00 62.31 H new ATOM 0 HG LEU A 74 -22.193 12.989 -22.875 1.00 3.22 H new ATOM 0 HD11 LEU A 74 -21.021 11.724 -24.634 1.00 63.03 H new ATOM 0 HD12 LEU A 74 -20.534 13.436 -24.615 1.00 63.03 H new ATOM 0 HD13 LEU A 74 -19.458 12.197 -23.925 1.00 63.03 H new ATOM 0 HD21 LEU A 74 -21.700 10.596 -22.547 1.00 72.00 H new ATOM 0 HD22 LEU A 74 -20.164 11.026 -21.758 1.00 72.00 H new ATOM 0 HD23 LEU A 74 -21.710 11.485 -21.006 1.00 72.00 H new ATOM 1138 N VAL A 75 -21.458 15.616 -24.651 1.00 50.12 N ATOM 1139 CA VAL A 75 -22.567 15.845 -25.570 1.00 22.30 C ATOM 1140 C VAL A 75 -22.713 14.689 -26.553 1.00 71.21 C ATOM 1141 O VAL A 75 -21.768 14.336 -27.259 1.00 45.45 O ATOM 1142 CB VAL A 75 -22.381 17.155 -26.359 1.00 31.43 C ATOM 1143 CG1 VAL A 75 -23.590 17.423 -27.242 1.00 34.45 C ATOM 1144 CG2 VAL A 75 -22.136 18.318 -25.409 1.00 63.52 C ATOM 0 H VAL A 75 -20.535 15.663 -25.083 1.00 50.12 H new ATOM 0 HA VAL A 75 -23.470 15.920 -24.964 1.00 22.30 H new ATOM 0 HB VAL A 75 -21.507 17.051 -27.003 1.00 31.43 H new ATOM 0 HG11 VAL A 75 -23.440 18.352 -27.791 1.00 34.45 H new ATOM 0 HG12 VAL A 75 -23.715 16.601 -27.947 1.00 34.45 H new ATOM 0 HG13 VAL A 75 -24.482 17.508 -26.621 1.00 34.45 H new ATOM 0 HG21 VAL A 75 -22.007 19.236 -25.983 1.00 63.52 H new ATOM 0 HG22 VAL A 75 -22.989 18.426 -24.739 1.00 63.52 H new ATOM 0 HG23 VAL A 75 -21.237 18.126 -24.824 1.00 63.52 H new ATOM 1154 N LEU A 76 -23.904 14.102 -26.594 1.00 71.23 N ATOM 1155 CA LEU A 76 -24.176 12.985 -27.492 1.00 62.50 C ATOM 1156 C LEU A 76 -25.374 13.284 -28.387 1.00 51.11 C ATOM 1157 O LEU A 76 -26.383 13.821 -27.931 1.00 15.04 O ATOM 1158 CB LEU A 76 -24.432 11.709 -26.688 1.00 21.14 C ATOM 1159 CG LEU A 76 -24.342 11.845 -25.167 1.00 61.22 C ATOM 1160 CD1 LEU A 76 -25.610 12.474 -24.612 1.00 2.54 C ATOM 1161 CD2 LEU A 76 -24.092 10.488 -24.524 1.00 50.34 C ATOM 0 H LEU A 76 -24.697 14.381 -26.016 1.00 71.23 H new ATOM 0 HA LEU A 76 -23.301 12.839 -28.125 1.00 62.50 H new ATOM 0 HB2 LEU A 76 -25.425 11.337 -26.941 1.00 21.14 H new ATOM 0 HB3 LEU A 76 -23.716 10.952 -27.008 1.00 21.14 H new ATOM 0 HG LEU A 76 -23.502 12.498 -24.929 1.00 61.22 H new ATOM 0 HD11 LEU A 76 -25.528 12.563 -23.529 1.00 2.54 H new ATOM 0 HD12 LEU A 76 -25.746 13.464 -25.048 1.00 2.54 H new ATOM 0 HD13 LEU A 76 -26.466 11.847 -24.861 1.00 2.54 H new ATOM 0 HD21 LEU A 76 -24.031 10.604 -23.442 1.00 50.34 H new ATOM 0 HD22 LEU A 76 -24.911 9.812 -24.771 1.00 50.34 H new ATOM 0 HD23 LEU A 76 -23.155 10.075 -24.898 1.00 50.34 H new ATOM 1173 N ARG A 77 -25.256 12.931 -29.663 1.00 1.50 N ATOM 1174 CA ARG A 77 -26.330 13.162 -30.622 1.00 23.31 C ATOM 1175 C ARG A 77 -26.916 11.840 -31.109 1.00 62.14 C ATOM 1176 O ARG A 77 -26.773 11.479 -32.278 1.00 72.34 O ATOM 1177 CB ARG A 77 -25.814 13.973 -31.812 1.00 13.11 C ATOM 1178 CG ARG A 77 -24.539 13.415 -32.423 1.00 12.41 C ATOM 1179 CD ARG A 77 -23.305 14.100 -31.857 1.00 43.03 C ATOM 1180 NE ARG A 77 -23.258 15.518 -32.205 1.00 25.31 N ATOM 1181 CZ ARG A 77 -22.183 16.280 -32.037 1.00 43.12 C ATOM 1182 NH1 ARG A 77 -21.072 15.763 -31.530 1.00 10.51 N ATOM 1183 NH2 ARG A 77 -22.217 17.562 -32.378 1.00 14.12 N ATOM 0 H ARG A 77 -24.428 12.484 -30.057 1.00 1.50 H new ATOM 0 HA ARG A 77 -27.117 13.726 -30.121 1.00 23.31 H new ATOM 0 HB2 ARG A 77 -26.588 14.010 -32.579 1.00 13.11 H new ATOM 0 HB3 ARG A 77 -25.634 14.999 -31.491 1.00 13.11 H new ATOM 0 HG2 ARG A 77 -24.481 12.343 -32.232 1.00 12.41 H new ATOM 0 HG3 ARG A 77 -24.565 13.545 -33.505 1.00 12.41 H new ATOM 0 HD2 ARG A 77 -23.296 13.992 -30.772 1.00 43.03 H new ATOM 0 HD3 ARG A 77 -22.410 13.604 -32.234 1.00 43.03 H new ATOM 0 HE ARG A 77 -24.096 15.946 -32.598 1.00 25.31 H new ATOM 0 HH11 ARG A 77 -21.041 14.778 -31.268 1.00 10.51 H new ATOM 0 HH12 ARG A 77 -20.248 16.351 -31.402 1.00 10.51 H new ATOM 0 HH21 ARG A 77 -23.069 17.963 -32.770 1.00 14.12 H new ATOM 0 HH22 ARG A 77 -21.391 18.146 -32.249 1.00 14.12 H new ATOM 1197 N LEU A 78 -27.575 11.122 -30.206 1.00 43.14 N ATOM 1198 CA LEU A 78 -28.183 9.840 -30.544 1.00 25.42 C ATOM 1199 C LEU A 78 -29.299 10.019 -31.567 1.00 72.43 C ATOM 1200 O LEU A 78 -29.531 9.148 -32.407 1.00 4.33 O ATOM 1201 CB LEU A 78 -28.732 9.166 -29.285 1.00 11.51 C ATOM 1202 CG LEU A 78 -27.753 8.277 -28.518 1.00 32.14 C ATOM 1203 CD1 LEU A 78 -26.593 9.100 -27.980 1.00 62.12 C ATOM 1204 CD2 LEU A 78 -28.466 7.553 -27.385 1.00 10.14 C ATOM 0 H LEU A 78 -27.702 11.406 -29.235 1.00 43.14 H new ATOM 0 HA LEU A 78 -27.413 9.205 -30.982 1.00 25.42 H new ATOM 0 HB2 LEU A 78 -29.093 9.942 -28.610 1.00 11.51 H new ATOM 0 HB3 LEU A 78 -29.595 8.563 -29.567 1.00 11.51 H new ATOM 0 HG LEU A 78 -27.354 7.531 -29.206 1.00 32.14 H new ATOM 0 HD11 LEU A 78 -25.907 8.450 -27.437 1.00 62.12 H new ATOM 0 HD12 LEU A 78 -26.066 9.572 -28.809 1.00 62.12 H new ATOM 0 HD13 LEU A 78 -26.973 9.869 -27.307 1.00 62.12 H new ATOM 0 HD21 LEU A 78 -27.754 6.925 -26.850 1.00 10.14 H new ATOM 0 HD22 LEU A 78 -28.893 8.284 -26.698 1.00 10.14 H new ATOM 0 HD23 LEU A 78 -29.262 6.931 -27.795 1.00 10.14 H new ATOM 1216 N ARG A 79 -29.987 11.153 -31.493 1.00 1.44 N ATOM 1217 CA ARG A 79 -31.079 11.447 -32.413 1.00 44.12 C ATOM 1218 C ARG A 79 -30.591 11.427 -33.859 1.00 31.51 C ATOM 1219 O ARG A 79 -31.355 11.136 -34.778 1.00 52.44 O ATOM 1220 CB ARG A 79 -31.693 12.810 -32.090 1.00 55.24 C ATOM 1221 CG ARG A 79 -33.179 12.749 -31.777 1.00 14.24 C ATOM 1222 CD ARG A 79 -33.464 11.824 -30.604 1.00 5.25 C ATOM 1223 NE ARG A 79 -34.776 12.074 -30.015 1.00 14.33 N ATOM 1224 CZ ARG A 79 -35.417 11.199 -29.248 1.00 61.31 C ATOM 1225 NH1 ARG A 79 -34.868 10.022 -28.979 1.00 1.34 N ATOM 1226 NH2 ARG A 79 -36.609 11.499 -28.749 1.00 1.52 N ATOM 0 H ARG A 79 -29.807 11.884 -30.805 1.00 1.44 H new ATOM 0 HA ARG A 79 -31.840 10.676 -32.293 1.00 44.12 H new ATOM 0 HB2 ARG A 79 -31.168 13.243 -31.238 1.00 55.24 H new ATOM 0 HB3 ARG A 79 -31.535 13.480 -32.935 1.00 55.24 H new ATOM 0 HG2 ARG A 79 -33.545 13.750 -31.550 1.00 14.24 H new ATOM 0 HG3 ARG A 79 -33.723 12.402 -32.656 1.00 14.24 H new ATOM 0 HD2 ARG A 79 -33.408 10.788 -30.938 1.00 5.25 H new ATOM 0 HD3 ARG A 79 -32.694 11.956 -29.843 1.00 5.25 H new ATOM 0 HE ARG A 79 -35.226 12.970 -30.203 1.00 14.33 H new ATOM 0 HH11 ARG A 79 -33.952 9.787 -29.361 1.00 1.34 H new ATOM 0 HH12 ARG A 79 -35.362 9.352 -28.390 1.00 1.34 H new ATOM 0 HH21 ARG A 79 -37.035 12.403 -28.954 1.00 1.52 H new ATOM 0 HH22 ARG A 79 -37.100 10.826 -28.160 1.00 1.52 H new ATOM 1240 N GLY A 80 -29.313 11.737 -34.052 1.00 3.33 N ATOM 1241 CA GLY A 80 -28.745 11.749 -35.387 1.00 54.33 C ATOM 1242 C GLY A 80 -28.493 10.354 -35.922 1.00 63.24 C ATOM 1243 O GLY A 80 -29.216 9.875 -36.795 1.00 14.33 O ATOM 0 H GLY A 80 -28.660 11.980 -33.307 1.00 3.33 H new ATOM 0 HA2 GLY A 80 -29.420 12.277 -36.061 1.00 54.33 H new ATOM 0 HA3 GLY A 80 -27.808 12.305 -35.375 1.00 54.33 H new ATOM 1247 N GLY A 81 -27.460 9.699 -35.399 1.00 75.34 N ATOM 1248 CA GLY A 81 -27.131 8.357 -35.844 1.00 33.05 C ATOM 1249 C GLY A 81 -26.628 8.326 -37.273 1.00 55.52 C ATOM 1250 O GLY A 81 -26.772 9.302 -38.010 1.00 45.13 O ATOM 0 H GLY A 81 -26.846 10.074 -34.676 1.00 75.34 H new ATOM 0 HA2 GLY A 81 -26.371 7.936 -35.186 1.00 33.05 H new ATOM 0 HA3 GLY A 81 -28.014 7.723 -35.759 1.00 33.05 H new ATOM 1254 N VAL A 82 -26.036 7.204 -37.667 1.00 21.52 N ATOM 1255 CA VAL A 82 -25.509 7.050 -39.018 1.00 33.24 C ATOM 1256 C VAL A 82 -26.263 5.967 -39.782 1.00 14.34 C ATOM 1257 O VAL A 82 -26.525 6.104 -40.977 1.00 11.35 O ATOM 1258 CB VAL A 82 -24.010 6.699 -38.999 1.00 4.41 C ATOM 1259 CG1 VAL A 82 -23.790 5.325 -38.385 1.00 62.05 C ATOM 1260 CG2 VAL A 82 -23.430 6.764 -40.404 1.00 11.21 C ATOM 0 H VAL A 82 -25.909 6.387 -37.070 1.00 21.52 H new ATOM 0 HA VAL A 82 -25.644 8.007 -39.521 1.00 33.24 H new ATOM 0 HB VAL A 82 -23.491 7.433 -38.382 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -22.725 5.095 -38.380 1.00 62.05 H new ATOM 0 HG12 VAL A 82 -24.167 5.319 -37.362 1.00 62.05 H new ATOM 0 HG13 VAL A 82 -24.321 4.575 -38.972 1.00 62.05 H new ATOM 0 HG21 VAL A 82 -22.370 6.513 -40.372 1.00 11.21 H new ATOM 0 HG22 VAL A 82 -23.952 6.054 -41.046 1.00 11.21 H new ATOM 0 HG23 VAL A 82 -23.553 7.771 -40.802 1.00 11.21 H new TER 1270 VAL A 82