USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 691 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 26 HIS : no HE2:sc= -2.81! C(o=-1.6!,f=-9.6!) USER MOD Set 1.2: A 30 TYR OH : rot 114:sc= 1.23 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 15:sc= -1.15 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0896 USER MOD Single : A 13 GLN : amide:sc=-0.00461 K(o=-0.0046,f=-1.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -1.86 K(o=-1.9,f=-3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -170:sc= 0.679 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 63:sc= 1.24 USER MOD Single : A 27 HIS : no HD1:sc= -2.79 K(o=-2.8,f=-3.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 170:sc= 0.981 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 60:sc= -1.52 USER MOD Single : A 49 GLN : amide:sc= 0.443 K(o=0.44,f=-1.8) USER MOD Single : A 55 THR OG1 : rot 39:sc= 0.322 USER MOD Single : A 57 ASN : amide:sc= -0.0245 X(o=-0.024,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -66:sc= 1.15 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -80:sc= -1.17 USER MOD Single : A 80 HIS : no HD1:sc= -4.09! C(o=-4.1!,f=-2.6!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMA :methyl -30:sc= -0.526 (180deg=-1.65!) USER MOD Single : A 95 HEM CMB :methyl 150:sc= -2.16! (180deg=-2.16!) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -4.99! (180deg=-7.5!) USER MOD Single : A 95 HEM CMD :methyl -30:sc= -8.04! (180deg=-12.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 2.759 -0.294 -7.767 1.00 0.00 N ATOM 2 CA VAL A 4 3.416 0.915 -8.233 1.00 0.00 C ATOM 3 C VAL A 4 2.367 2.007 -8.457 1.00 0.00 C ATOM 4 O VAL A 4 1.168 1.736 -8.429 1.00 0.00 O ATOM 5 CB VAL A 4 4.241 0.613 -9.486 1.00 0.00 C ATOM 6 CG1 VAL A 4 3.392 0.761 -10.751 1.00 0.00 C ATOM 7 CG2 VAL A 4 5.483 1.504 -9.553 1.00 0.00 C ATOM 0 HA VAL A 4 4.114 1.284 -7.481 1.00 0.00 H new ATOM 0 HB VAL A 4 4.574 -0.423 -9.425 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.002 0.541 -11.627 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.553 0.066 -10.709 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.015 1.781 -10.819 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.051 1.269 -10.453 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.179 2.550 -9.579 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.105 1.328 -8.675 1.00 0.00 H new ATOM 17 N LYS A 5 2.858 3.218 -8.675 1.00 0.00 N ATOM 18 CA LYS A 5 1.978 4.352 -8.904 1.00 0.00 C ATOM 19 C LYS A 5 2.140 4.834 -10.346 1.00 0.00 C ATOM 20 O LYS A 5 3.239 5.197 -10.763 1.00 0.00 O ATOM 21 CB LYS A 5 2.225 5.442 -7.859 1.00 0.00 C ATOM 22 CG LYS A 5 1.127 5.440 -6.794 1.00 0.00 C ATOM 23 CD LYS A 5 -0.031 6.354 -7.198 1.00 0.00 C ATOM 24 CE LYS A 5 -0.988 5.637 -8.154 1.00 0.00 C ATOM 25 NZ LYS A 5 -2.171 6.481 -8.431 1.00 0.00 N ATOM 0 H LYS A 5 3.854 3.439 -8.698 1.00 0.00 H new ATOM 0 HA LYS A 5 0.936 4.057 -8.782 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.195 5.285 -7.387 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.262 6.416 -8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.759 4.424 -6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.540 5.770 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.573 6.675 -6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.360 7.253 -7.675 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.474 5.404 -9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.304 4.689 -7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.810 5.980 -9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.670 6.682 -7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.866 7.375 -8.866 1.00 0.00 H new ATOM 39 N TYR A 6 1.029 4.824 -11.069 1.00 0.00 N ATOM 40 CA TYR A 6 1.035 5.257 -12.456 1.00 0.00 C ATOM 41 C TYR A 6 0.519 6.691 -12.585 1.00 0.00 C ATOM 42 O TYR A 6 -0.681 6.936 -12.463 1.00 0.00 O ATOM 43 CB TYR A 6 0.081 4.315 -13.195 1.00 0.00 C ATOM 44 CG TYR A 6 0.513 2.848 -13.170 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.793 2.498 -13.552 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.377 1.873 -12.768 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.199 1.116 -13.528 1.00 0.00 C ATOM 48 CE2 TYR A 6 0.029 0.492 -12.745 1.00 0.00 C ATOM 49 CZ TYR A 6 1.297 0.182 -13.126 1.00 0.00 C ATOM 50 OH TYR A 6 1.681 -1.122 -13.105 1.00 0.00 O ATOM 0 H TYR A 6 0.119 4.523 -10.720 1.00 0.00 H new ATOM 0 HA TYR A 6 2.046 5.232 -12.862 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.911 4.399 -12.752 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.004 4.641 -14.232 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.490 3.260 -13.869 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.379 2.146 -12.470 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.197 0.829 -13.823 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.658 -0.280 -12.432 1.00 0.00 H new ATOM 0 HH TYR A 6 0.935 -1.678 -12.796 1.00 0.00 H new ATOM 60 N TYR A 7 1.449 7.601 -12.830 1.00 0.00 N ATOM 61 CA TYR A 7 1.102 9.005 -12.977 1.00 0.00 C ATOM 62 C TYR A 7 0.896 9.368 -14.450 1.00 0.00 C ATOM 63 O TYR A 7 1.510 8.769 -15.332 1.00 0.00 O ATOM 64 CB TYR A 7 2.296 9.793 -12.432 1.00 0.00 C ATOM 65 CG TYR A 7 2.811 9.288 -11.084 1.00 0.00 C ATOM 66 CD1 TYR A 7 1.954 9.207 -10.005 1.00 0.00 C ATOM 67 CD2 TYR A 7 4.132 8.915 -10.945 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.439 8.732 -8.734 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.617 8.440 -9.675 1.00 0.00 C ATOM 70 CZ TYR A 7 3.747 8.373 -8.633 1.00 0.00 C ATOM 71 OH TYR A 7 4.204 7.924 -7.433 1.00 0.00 O ATOM 0 H TYR A 7 2.443 7.394 -12.931 1.00 0.00 H new ATOM 0 HA TYR A 7 0.176 9.229 -12.448 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.108 9.751 -13.158 1.00 0.00 H new ATOM 0 HB3 TYR A 7 2.012 10.840 -12.331 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.920 9.500 -10.113 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.803 8.979 -11.789 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.779 8.663 -7.882 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.648 8.144 -9.553 1.00 0.00 H new ATOM 0 HH TYR A 7 3.444 7.702 -6.856 1.00 0.00 H new ATOM 81 N THR A 8 0.030 10.345 -14.670 1.00 0.00 N ATOM 82 CA THR A 8 -0.265 10.795 -16.019 1.00 0.00 C ATOM 83 C THR A 8 0.863 11.687 -16.542 1.00 0.00 C ATOM 84 O THR A 8 1.510 12.393 -15.770 1.00 0.00 O ATOM 85 CB THR A 8 -1.629 11.487 -16.000 1.00 0.00 C ATOM 86 OG1 THR A 8 -1.628 12.221 -14.778 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.785 10.499 -15.840 1.00 0.00 C ATOM 0 H THR A 8 -0.478 10.838 -13.936 1.00 0.00 H new ATOM 0 HA THR A 8 -0.321 9.956 -16.712 1.00 0.00 H new ATOM 0 HB THR A 8 -1.761 12.054 -16.922 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.477 12.702 -14.685 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.730 11.043 -15.833 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.779 9.794 -16.671 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.672 9.955 -14.902 1.00 0.00 H new ATOM 95 N LEU A 9 1.063 11.627 -17.851 1.00 0.00 N ATOM 96 CA LEU A 9 2.100 12.422 -18.486 1.00 0.00 C ATOM 97 C LEU A 9 1.911 13.893 -18.113 1.00 0.00 C ATOM 98 O LEU A 9 2.838 14.693 -18.235 1.00 0.00 O ATOM 99 CB LEU A 9 2.121 12.168 -19.995 1.00 0.00 C ATOM 100 CG LEU A 9 1.430 13.224 -20.862 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.803 13.052 -22.336 1.00 0.00 C ATOM 102 CD2 LEU A 9 -0.085 13.203 -20.648 1.00 0.00 C ATOM 0 H LEU A 9 0.525 11.040 -18.488 1.00 0.00 H new ATOM 0 HA LEU A 9 3.083 12.125 -18.122 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.160 12.086 -20.315 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.651 11.204 -20.188 1.00 0.00 H new ATOM 0 HG LEU A 9 1.785 14.207 -20.552 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.299 13.814 -22.930 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.882 13.155 -22.453 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.494 12.064 -22.677 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.552 13.962 -21.275 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.477 12.221 -20.915 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.308 13.410 -19.601 1.00 0.00 H new ATOM 114 N GLU A 10 0.704 14.206 -17.664 1.00 0.00 N ATOM 115 CA GLU A 10 0.382 15.568 -17.271 1.00 0.00 C ATOM 116 C GLU A 10 1.082 15.922 -15.957 1.00 0.00 C ATOM 117 O GLU A 10 1.565 17.040 -15.790 1.00 0.00 O ATOM 118 CB GLU A 10 -1.131 15.761 -17.155 1.00 0.00 C ATOM 119 CG GLU A 10 -1.577 17.040 -17.867 1.00 0.00 C ATOM 120 CD GLU A 10 -2.854 17.601 -17.239 1.00 0.00 C ATOM 121 OE1 GLU A 10 -3.649 16.777 -16.737 1.00 0.00 O ATOM 122 OE2 GLU A 10 -3.005 18.842 -17.274 1.00 0.00 O ATOM 0 H GLU A 10 -0.062 13.540 -17.564 1.00 0.00 H new ATOM 0 HA GLU A 10 0.744 16.244 -18.046 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.645 14.902 -17.587 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.416 15.808 -16.104 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.784 17.786 -17.814 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.748 16.832 -18.923 1.00 0.00 H new ATOM 129 N GLU A 11 1.116 14.947 -15.061 1.00 0.00 N ATOM 130 CA GLU A 11 1.749 15.141 -13.767 1.00 0.00 C ATOM 131 C GLU A 11 3.138 15.759 -13.944 1.00 0.00 C ATOM 132 O GLU A 11 3.349 16.925 -13.615 1.00 0.00 O ATOM 133 CB GLU A 11 1.829 13.824 -12.993 1.00 0.00 C ATOM 134 CG GLU A 11 1.283 13.989 -11.573 1.00 0.00 C ATOM 135 CD GLU A 11 -0.116 13.383 -11.450 1.00 0.00 C ATOM 136 OE1 GLU A 11 -0.270 12.218 -11.878 1.00 0.00 O ATOM 137 OE2 GLU A 11 -1.002 14.098 -10.932 1.00 0.00 O ATOM 0 H GLU A 11 0.716 14.020 -15.205 1.00 0.00 H new ATOM 0 HA GLU A 11 1.138 15.830 -13.184 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.262 13.055 -13.517 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.864 13.485 -12.951 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.955 13.508 -10.863 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.249 15.047 -11.313 1.00 0.00 H new ATOM 144 N ILE A 12 4.049 14.949 -14.462 1.00 0.00 N ATOM 145 CA ILE A 12 5.411 15.402 -14.687 1.00 0.00 C ATOM 146 C ILE A 12 5.397 16.886 -15.058 1.00 0.00 C ATOM 147 O ILE A 12 6.024 17.703 -14.388 1.00 0.00 O ATOM 148 CB ILE A 12 6.106 14.516 -15.722 1.00 0.00 C ATOM 149 CG1 ILE A 12 5.086 13.714 -16.532 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.149 13.612 -15.059 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.872 12.325 -15.924 1.00 0.00 C ATOM 0 H ILE A 12 3.871 13.982 -14.732 1.00 0.00 H new ATOM 0 HA ILE A 12 5.999 15.308 -13.774 1.00 0.00 H new ATOM 0 HB ILE A 12 6.637 15.162 -16.422 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.138 14.251 -16.563 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.431 13.615 -17.561 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.628 12.993 -15.817 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.901 14.226 -14.564 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.661 12.973 -14.323 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.142 11.776 -16.519 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.817 11.782 -15.916 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.504 12.427 -14.903 1.00 0.00 H new ATOM 163 N GLN A 13 4.674 17.188 -16.127 1.00 0.00 N ATOM 164 CA GLN A 13 4.568 18.560 -16.595 1.00 0.00 C ATOM 165 C GLN A 13 4.362 19.510 -15.414 1.00 0.00 C ATOM 166 O GLN A 13 5.097 20.485 -15.262 1.00 0.00 O ATOM 167 CB GLN A 13 3.440 18.704 -17.619 1.00 0.00 C ATOM 168 CG GLN A 13 3.680 17.800 -18.830 1.00 0.00 C ATOM 169 CD GLN A 13 4.066 18.622 -20.061 1.00 0.00 C ATOM 170 OE1 GLN A 13 4.843 19.560 -19.995 1.00 0.00 O ATOM 171 NE2 GLN A 13 3.479 18.220 -21.185 1.00 0.00 N ATOM 0 H GLN A 13 4.156 16.507 -16.682 1.00 0.00 H new ATOM 0 HA GLN A 13 5.501 18.827 -17.091 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.487 18.450 -17.154 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.369 19.742 -17.944 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.471 17.085 -18.603 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.780 17.223 -19.041 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.838 17.427 -21.170 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.670 18.705 -22.062 1.00 0.00 H new ATOM 180 N LYS A 14 3.359 19.194 -14.610 1.00 0.00 N ATOM 181 CA LYS A 14 3.047 20.008 -13.447 1.00 0.00 C ATOM 182 C LYS A 14 4.309 20.186 -12.601 1.00 0.00 C ATOM 183 O LYS A 14 4.528 21.249 -12.024 1.00 0.00 O ATOM 184 CB LYS A 14 1.869 19.409 -12.675 1.00 0.00 C ATOM 185 CG LYS A 14 0.671 19.173 -13.598 1.00 0.00 C ATOM 186 CD LYS A 14 0.439 20.378 -14.513 1.00 0.00 C ATOM 187 CE LYS A 14 -0.826 20.192 -15.352 1.00 0.00 C ATOM 188 NZ LYS A 14 -1.463 21.499 -15.628 1.00 0.00 N ATOM 0 H LYS A 14 2.751 18.385 -14.740 1.00 0.00 H new ATOM 0 HA LYS A 14 2.725 21.003 -13.754 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.171 18.467 -12.217 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.582 20.079 -11.865 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.842 18.281 -14.201 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.222 18.988 -13.001 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.352 21.284 -13.913 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.299 20.512 -15.169 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.577 19.697 -16.291 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.526 19.544 -14.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.320 21.354 -16.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.718 21.957 -14.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.799 22.106 -16.150 1.00 0.00 H new ATOM 202 N HIS A 15 5.107 19.129 -12.555 1.00 0.00 N ATOM 203 CA HIS A 15 6.342 19.157 -11.790 1.00 0.00 C ATOM 204 C HIS A 15 7.494 19.608 -12.690 1.00 0.00 C ATOM 205 O HIS A 15 8.467 18.877 -12.872 1.00 0.00 O ATOM 206 CB HIS A 15 6.601 17.801 -11.130 1.00 0.00 C ATOM 207 CG HIS A 15 5.345 17.050 -10.753 1.00 0.00 C ATOM 208 ND1 HIS A 15 4.369 17.587 -9.931 1.00 0.00 N ATOM 209 CD2 HIS A 15 4.917 15.802 -11.095 1.00 0.00 C ATOM 210 CE1 HIS A 15 3.403 16.692 -9.791 1.00 0.00 C ATOM 211 NE2 HIS A 15 3.744 15.586 -10.513 1.00 0.00 N ATOM 0 H HIS A 15 4.922 18.248 -13.035 1.00 0.00 H new ATOM 0 HA HIS A 15 6.256 19.881 -10.980 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.190 17.185 -11.809 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.203 17.954 -10.234 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.390 18.514 -9.506 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.443 15.107 -11.732 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.503 16.816 -9.207 1.00 0.00 H new ATOM 219 N LYS A 16 7.345 20.809 -13.229 1.00 0.00 N ATOM 220 CA LYS A 16 8.361 21.367 -14.105 1.00 0.00 C ATOM 221 C LYS A 16 9.073 22.515 -13.388 1.00 0.00 C ATOM 222 O LYS A 16 9.772 23.307 -14.018 1.00 0.00 O ATOM 223 CB LYS A 16 7.748 21.766 -15.449 1.00 0.00 C ATOM 224 CG LYS A 16 7.868 20.629 -16.466 1.00 0.00 C ATOM 225 CD LYS A 16 7.331 21.058 -17.833 1.00 0.00 C ATOM 226 CE LYS A 16 8.377 20.835 -18.927 1.00 0.00 C ATOM 227 NZ LYS A 16 8.167 21.781 -20.046 1.00 0.00 N ATOM 0 H LYS A 16 6.536 21.411 -13.076 1.00 0.00 H new ATOM 0 HA LYS A 16 9.118 20.618 -14.336 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.698 22.026 -15.311 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.249 22.655 -15.832 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.912 20.328 -16.559 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.316 19.759 -16.111 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.429 20.493 -18.067 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.049 22.111 -17.803 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.377 20.967 -18.514 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.316 19.810 -19.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.885 21.616 -20.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.220 21.636 -20.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.248 22.757 -19.696 1.00 0.00 H new ATOM 241 N ASP A 17 8.870 22.570 -12.079 1.00 0.00 N ATOM 242 CA ASP A 17 9.483 23.609 -11.269 1.00 0.00 C ATOM 243 C ASP A 17 10.337 22.961 -10.178 1.00 0.00 C ATOM 244 O ASP A 17 10.277 21.749 -9.975 1.00 0.00 O ATOM 245 CB ASP A 17 8.422 24.475 -10.588 1.00 0.00 C ATOM 246 CG ASP A 17 7.917 25.654 -11.421 1.00 0.00 C ATOM 247 OD1 ASP A 17 7.151 25.390 -12.374 1.00 0.00 O ATOM 248 OD2 ASP A 17 8.307 26.794 -11.087 1.00 0.00 O ATOM 0 H ASP A 17 8.289 21.911 -11.560 1.00 0.00 H new ATOM 0 HA ASP A 17 10.090 24.233 -11.924 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.572 23.844 -10.327 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.833 24.859 -9.654 1.00 0.00 H new ATOM 253 N SER A 18 11.114 23.797 -9.504 1.00 0.00 N ATOM 254 CA SER A 18 11.979 23.320 -8.440 1.00 0.00 C ATOM 255 C SER A 18 11.142 22.664 -7.340 1.00 0.00 C ATOM 256 O SER A 18 11.496 21.597 -6.838 1.00 0.00 O ATOM 257 CB SER A 18 12.817 24.461 -7.859 1.00 0.00 C ATOM 258 OG SER A 18 14.214 24.236 -8.025 1.00 0.00 O ATOM 0 H SER A 18 11.162 24.801 -9.675 1.00 0.00 H new ATOM 0 HA SER A 18 12.661 22.580 -8.859 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.541 25.397 -8.344 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.591 24.573 -6.798 1.00 0.00 H new ATOM 0 HG SER A 18 14.716 24.900 -7.508 1.00 0.00 H new ATOM 264 N LYS A 19 10.048 23.327 -6.996 1.00 0.00 N ATOM 265 CA LYS A 19 9.158 22.821 -5.965 1.00 0.00 C ATOM 266 C LYS A 19 8.837 21.353 -6.250 1.00 0.00 C ATOM 267 O LYS A 19 8.820 20.529 -5.338 1.00 0.00 O ATOM 268 CB LYS A 19 7.919 23.709 -5.845 1.00 0.00 C ATOM 269 CG LYS A 19 7.274 23.941 -7.213 1.00 0.00 C ATOM 270 CD LYS A 19 5.919 23.235 -7.307 1.00 0.00 C ATOM 271 CE LYS A 19 4.876 24.134 -7.973 1.00 0.00 C ATOM 272 NZ LYS A 19 3.910 24.636 -6.971 1.00 0.00 N ATOM 0 H LYS A 19 9.757 24.211 -7.413 1.00 0.00 H new ATOM 0 HA LYS A 19 9.644 22.858 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.198 23.243 -5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.195 24.666 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.144 25.010 -7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.935 23.573 -7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.025 22.312 -7.877 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.580 22.957 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.370 24.973 -8.463 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.349 23.577 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.209 25.245 -7.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.426 23.832 -6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.415 25.184 -6.246 1.00 0.00 H new ATOM 286 N SER A 20 8.589 21.070 -7.521 1.00 0.00 N ATOM 287 CA SER A 20 8.270 19.716 -7.938 1.00 0.00 C ATOM 288 C SER A 20 9.002 19.381 -9.239 1.00 0.00 C ATOM 289 O SER A 20 8.538 19.728 -10.324 1.00 0.00 O ATOM 290 CB SER A 20 6.761 19.537 -8.118 1.00 0.00 C ATOM 291 OG SER A 20 6.038 19.884 -6.941 1.00 0.00 O ATOM 0 H SER A 20 8.603 21.756 -8.275 1.00 0.00 H new ATOM 0 HA SER A 20 8.601 19.032 -7.157 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.419 20.155 -8.949 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.548 18.501 -8.382 1.00 0.00 H new ATOM 0 HG SER A 20 5.079 19.758 -7.097 1.00 0.00 H new ATOM 297 N THR A 21 10.136 18.713 -9.087 1.00 0.00 N ATOM 298 CA THR A 21 10.937 18.329 -10.237 1.00 0.00 C ATOM 299 C THR A 21 10.866 16.815 -10.455 1.00 0.00 C ATOM 300 O THR A 21 11.344 16.043 -9.625 1.00 0.00 O ATOM 301 CB THR A 21 12.360 18.843 -10.014 1.00 0.00 C ATOM 302 OG1 THR A 21 12.304 20.208 -10.425 1.00 0.00 O ATOM 303 CG2 THR A 21 13.370 18.208 -10.972 1.00 0.00 C ATOM 0 H THR A 21 10.519 18.428 -8.186 1.00 0.00 H new ATOM 0 HA THR A 21 10.553 18.777 -11.154 1.00 0.00 H new ATOM 0 HB THR A 21 12.660 18.643 -8.985 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.683 20.699 -9.847 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.364 18.608 -10.771 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.378 17.127 -10.829 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.089 18.436 -12.000 1.00 0.00 H new ATOM 311 N TRP A 22 10.267 16.439 -11.574 1.00 0.00 N ATOM 312 CA TRP A 22 10.127 15.032 -11.911 1.00 0.00 C ATOM 313 C TRP A 22 10.863 14.787 -13.230 1.00 0.00 C ATOM 314 O TRP A 22 11.129 15.725 -13.980 1.00 0.00 O ATOM 315 CB TRP A 22 8.652 14.626 -11.965 1.00 0.00 C ATOM 316 CG TRP A 22 8.089 14.149 -10.624 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.565 14.394 -9.396 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.918 13.329 -10.426 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.789 13.795 -8.424 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.756 13.127 -9.071 1.00 0.00 C ATOM 321 CE3 TRP A 22 6.025 12.777 -11.362 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.709 12.372 -8.530 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.985 12.024 -10.804 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.808 11.812 -9.441 1.00 0.00 C ATOM 0 H TRP A 22 9.873 17.083 -12.259 1.00 0.00 H new ATOM 0 HA TRP A 22 10.574 14.404 -11.141 1.00 0.00 H new ATOM 0 HB2 TRP A 22 8.064 15.476 -12.313 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.531 13.832 -12.702 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.445 14.986 -9.192 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.945 13.835 -7.417 1.00 0.00 H new ATOM 0 HE3 TRP A 22 6.133 12.922 -12.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.603 12.229 -7.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.270 11.577 -11.479 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.978 11.218 -9.088 1.00 0.00 H new ATOM 335 N VAL A 23 11.171 13.521 -13.472 1.00 0.00 N ATOM 336 CA VAL A 23 11.872 13.141 -14.687 1.00 0.00 C ATOM 337 C VAL A 23 11.656 11.649 -14.948 1.00 0.00 C ATOM 338 O VAL A 23 12.057 10.810 -14.142 1.00 0.00 O ATOM 339 CB VAL A 23 13.349 13.522 -14.580 1.00 0.00 C ATOM 340 CG1 VAL A 23 14.003 12.853 -13.369 1.00 0.00 C ATOM 341 CG2 VAL A 23 14.100 13.177 -15.868 1.00 0.00 C ATOM 0 H VAL A 23 10.948 12.746 -12.848 1.00 0.00 H new ATOM 0 HA VAL A 23 11.473 13.683 -15.545 1.00 0.00 H new ATOM 0 HB VAL A 23 13.406 14.601 -14.438 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.053 13.141 -13.317 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.494 13.171 -12.459 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.928 11.770 -13.467 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.148 13.458 -15.765 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.029 12.106 -16.055 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.659 13.721 -16.703 1.00 0.00 H new ATOM 351 N ILE A 24 11.026 11.363 -16.077 1.00 0.00 N ATOM 352 CA ILE A 24 10.753 9.986 -16.454 1.00 0.00 C ATOM 353 C ILE A 24 12.073 9.272 -16.750 1.00 0.00 C ATOM 354 O ILE A 24 12.822 9.686 -17.634 1.00 0.00 O ATOM 355 CB ILE A 24 9.753 9.936 -17.612 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.456 10.662 -17.248 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.498 8.494 -18.054 1.00 0.00 C ATOM 358 CD1 ILE A 24 7.802 11.270 -18.491 1.00 0.00 C ATOM 0 H ILE A 24 10.696 12.061 -16.744 1.00 0.00 H new ATOM 0 HA ILE A 24 10.279 9.452 -15.631 1.00 0.00 H new ATOM 0 HB ILE A 24 10.188 10.461 -18.462 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.766 9.965 -16.773 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.666 11.447 -16.522 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.784 8.487 -18.878 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.435 8.043 -18.382 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.093 7.923 -17.218 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.882 11.780 -18.205 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.486 11.984 -18.949 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.572 10.479 -19.205 1.00 0.00 H new ATOM 370 N LEU A 25 12.318 8.212 -15.994 1.00 0.00 N ATOM 371 CA LEU A 25 13.534 7.437 -16.164 1.00 0.00 C ATOM 372 C LEU A 25 13.175 5.956 -16.307 1.00 0.00 C ATOM 373 O LEU A 25 12.522 5.385 -15.434 1.00 0.00 O ATOM 374 CB LEU A 25 14.516 7.724 -15.027 1.00 0.00 C ATOM 375 CG LEU A 25 15.680 8.658 -15.366 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.202 9.849 -16.200 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.412 9.104 -14.099 1.00 0.00 C ATOM 0 H LEU A 25 11.694 7.872 -15.262 1.00 0.00 H new ATOM 0 HA LEU A 25 14.047 7.731 -17.080 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.961 8.155 -14.194 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.926 6.776 -14.680 1.00 0.00 H new ATOM 0 HG LEU A 25 16.396 8.105 -15.974 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.048 10.497 -16.427 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.761 9.489 -17.129 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.456 10.411 -15.638 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.234 9.767 -14.368 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.719 9.633 -13.445 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.805 8.230 -13.579 1.00 0.00 H new ATOM 389 N HIS A 26 13.615 5.377 -17.414 1.00 0.00 N ATOM 390 CA HIS A 26 13.347 3.974 -17.682 1.00 0.00 C ATOM 391 C HIS A 26 11.935 3.622 -17.210 1.00 0.00 C ATOM 392 O HIS A 26 11.753 2.687 -16.431 1.00 0.00 O ATOM 393 CB HIS A 26 14.422 3.087 -17.052 1.00 0.00 C ATOM 394 CG HIS A 26 15.179 3.744 -15.923 1.00 0.00 C ATOM 395 ND1 HIS A 26 16.082 4.773 -16.126 1.00 0.00 N ATOM 396 CD2 HIS A 26 15.156 3.512 -14.579 1.00 0.00 C ATOM 397 CE1 HIS A 26 16.575 5.134 -14.950 1.00 0.00 C ATOM 398 NE2 HIS A 26 16.001 4.351 -13.993 1.00 0.00 N ATOM 0 H HIS A 26 14.155 5.854 -18.136 1.00 0.00 H new ATOM 0 HA HIS A 26 13.389 3.790 -18.755 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.954 2.176 -16.679 1.00 0.00 H new ATOM 0 HB3 HIS A 26 15.130 2.788 -17.825 1.00 0.00 H new ATOM 0 HD1 HIS A 26 16.326 5.184 -17.027 1.00 0.00 H new ATOM 0 HD2 HIS A 26 14.552 2.771 -14.077 1.00 0.00 H new ATOM 0 HE1 HIS A 26 17.304 5.912 -14.780 1.00 0.00 H new ATOM 406 N HIS A 27 10.973 4.388 -17.702 1.00 0.00 N ATOM 407 CA HIS A 27 9.583 4.169 -17.340 1.00 0.00 C ATOM 408 C HIS A 27 9.427 4.262 -15.821 1.00 0.00 C ATOM 409 O HIS A 27 8.859 3.368 -15.196 1.00 0.00 O ATOM 410 CB HIS A 27 9.077 2.841 -17.908 1.00 0.00 C ATOM 411 CG HIS A 27 8.770 2.883 -19.386 1.00 0.00 C ATOM 412 ND1 HIS A 27 7.573 3.360 -19.889 1.00 0.00 N ATOM 413 CD2 HIS A 27 9.516 2.503 -20.463 1.00 0.00 C ATOM 414 CE1 HIS A 27 7.608 3.267 -21.211 1.00 0.00 C ATOM 415 NE2 HIS A 27 8.813 2.734 -21.564 1.00 0.00 N ATOM 0 H HIS A 27 11.129 5.161 -18.349 1.00 0.00 H new ATOM 0 HA HIS A 27 8.961 4.948 -17.782 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.826 2.070 -17.724 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.177 2.546 -17.369 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.511 2.085 -20.426 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.821 3.561 -21.889 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.122 2.544 -22.517 1.00 0.00 H new ATOM 423 N LYS A 28 9.942 5.352 -15.270 1.00 0.00 N ATOM 424 CA LYS A 28 9.867 5.573 -13.837 1.00 0.00 C ATOM 425 C LYS A 28 10.310 7.003 -13.522 1.00 0.00 C ATOM 426 O LYS A 28 11.487 7.335 -13.654 1.00 0.00 O ATOM 427 CB LYS A 28 10.664 4.504 -13.087 1.00 0.00 C ATOM 428 CG LYS A 28 9.816 3.855 -11.991 1.00 0.00 C ATOM 429 CD LYS A 28 9.554 2.379 -12.301 1.00 0.00 C ATOM 430 CE LYS A 28 10.761 1.518 -11.923 1.00 0.00 C ATOM 431 NZ LYS A 28 10.655 0.178 -12.542 1.00 0.00 N ATOM 0 H LYS A 28 10.413 6.091 -15.791 1.00 0.00 H new ATOM 0 HA LYS A 28 8.839 5.473 -13.490 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.005 3.741 -13.787 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.554 4.952 -12.645 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.326 3.944 -11.032 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.868 4.385 -11.898 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.675 2.039 -11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.335 2.260 -13.362 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.680 2.005 -12.251 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.821 1.421 -10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.482 -0.394 -12.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.788 -0.291 -12.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.620 0.275 -13.577 1.00 0.00 H new ATOM 445 N VAL A 29 9.343 7.812 -13.113 1.00 0.00 N ATOM 446 CA VAL A 29 9.619 9.198 -12.778 1.00 0.00 C ATOM 447 C VAL A 29 10.476 9.253 -11.512 1.00 0.00 C ATOM 448 O VAL A 29 10.283 8.458 -10.593 1.00 0.00 O ATOM 449 CB VAL A 29 8.307 9.975 -12.646 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.419 9.764 -13.873 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.569 9.590 -11.362 1.00 0.00 C ATOM 0 H VAL A 29 8.368 7.533 -13.006 1.00 0.00 H new ATOM 0 HA VAL A 29 10.187 9.677 -13.575 1.00 0.00 H new ATOM 0 HB VAL A 29 8.550 11.036 -12.587 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.493 10.327 -13.753 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.942 10.110 -14.764 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.188 8.704 -13.977 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.640 10.156 -11.292 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.344 8.524 -11.378 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.197 9.815 -10.500 1.00 0.00 H new ATOM 461 N TYR A 30 11.404 10.198 -11.505 1.00 0.00 N ATOM 462 CA TYR A 30 12.292 10.366 -10.367 1.00 0.00 C ATOM 463 C TYR A 30 12.085 11.731 -9.708 1.00 0.00 C ATOM 464 O TYR A 30 12.526 12.752 -10.235 1.00 0.00 O ATOM 465 CB TYR A 30 13.714 10.292 -10.926 1.00 0.00 C ATOM 466 CG TYR A 30 14.268 8.870 -11.035 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.446 7.790 -10.786 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.587 8.669 -11.382 1.00 0.00 C ATOM 469 CE1 TYR A 30 13.967 6.451 -10.889 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.108 7.330 -11.484 1.00 0.00 C ATOM 471 CZ TYR A 30 15.273 6.287 -11.232 1.00 0.00 C ATOM 472 OH TYR A 30 15.765 5.023 -11.329 1.00 0.00 O ATOM 0 H TYR A 30 11.561 10.855 -12.269 1.00 0.00 H new ATOM 0 HA TYR A 30 12.100 9.602 -9.614 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.729 10.753 -11.913 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.375 10.880 -10.289 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.413 7.949 -10.514 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.229 9.515 -11.577 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.335 5.596 -10.698 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.139 7.158 -11.755 1.00 0.00 H new ATOM 0 HH TYR A 30 16.000 4.834 -12.261 1.00 0.00 H new ATOM 482 N ASP A 31 11.416 11.706 -8.565 1.00 0.00 N ATOM 483 CA ASP A 31 11.146 12.929 -7.828 1.00 0.00 C ATOM 484 C ASP A 31 12.440 13.424 -7.179 1.00 0.00 C ATOM 485 O ASP A 31 12.634 13.266 -5.975 1.00 0.00 O ATOM 486 CB ASP A 31 10.122 12.688 -6.718 1.00 0.00 C ATOM 487 CG ASP A 31 10.601 11.782 -5.581 1.00 0.00 C ATOM 488 OD1 ASP A 31 11.353 10.832 -5.891 1.00 0.00 O ATOM 489 OD2 ASP A 31 10.203 12.059 -4.429 1.00 0.00 O ATOM 0 H ASP A 31 11.053 10.858 -8.131 1.00 0.00 H new ATOM 0 HA ASP A 31 10.752 13.665 -8.528 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.831 13.651 -6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.227 12.250 -7.159 1.00 0.00 H new ATOM 494 N LEU A 32 13.292 14.013 -8.005 1.00 0.00 N ATOM 495 CA LEU A 32 14.561 14.533 -7.527 1.00 0.00 C ATOM 496 C LEU A 32 14.410 16.021 -7.205 1.00 0.00 C ATOM 497 O LEU A 32 15.278 16.824 -7.544 1.00 0.00 O ATOM 498 CB LEU A 32 15.676 14.231 -8.530 1.00 0.00 C ATOM 499 CG LEU A 32 15.695 15.095 -9.792 1.00 0.00 C ATOM 500 CD1 LEU A 32 17.001 15.886 -9.894 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.438 14.249 -11.040 1.00 0.00 C ATOM 0 H LEU A 32 13.128 14.142 -9.003 1.00 0.00 H new ATOM 0 HA LEU A 32 14.852 14.035 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.634 14.343 -8.023 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.594 13.186 -8.830 1.00 0.00 H new ATOM 0 HG LEU A 32 14.884 15.820 -9.723 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.989 16.492 -10.800 1.00 0.00 H new ATOM 0 HD12 LEU A 32 17.102 16.535 -9.024 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.843 15.195 -9.931 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.457 14.888 -11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.211 13.486 -11.128 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.462 13.769 -10.960 1.00 0.00 H new ATOM 513 N THR A 33 13.300 16.344 -6.557 1.00 0.00 N ATOM 514 CA THR A 33 13.025 17.721 -6.186 1.00 0.00 C ATOM 515 C THR A 33 14.041 18.210 -5.151 1.00 0.00 C ATOM 516 O THR A 33 14.585 19.305 -5.280 1.00 0.00 O ATOM 517 CB THR A 33 11.576 17.798 -5.699 1.00 0.00 C ATOM 518 OG1 THR A 33 10.806 17.434 -6.840 1.00 0.00 O ATOM 519 CG2 THR A 33 11.136 19.233 -5.394 1.00 0.00 C ATOM 0 H THR A 33 12.581 15.676 -6.280 1.00 0.00 H new ATOM 0 HA THR A 33 13.133 18.389 -7.040 1.00 0.00 H new ATOM 0 HB THR A 33 11.461 17.185 -4.805 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.872 17.300 -6.575 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.101 19.231 -5.052 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.774 19.652 -4.616 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.219 19.839 -6.296 1.00 0.00 H new ATOM 527 N LYS A 34 14.266 17.373 -4.150 1.00 0.00 N ATOM 528 CA LYS A 34 15.207 17.705 -3.094 1.00 0.00 C ATOM 529 C LYS A 34 16.628 17.689 -3.661 1.00 0.00 C ATOM 530 O LYS A 34 17.433 18.566 -3.353 1.00 0.00 O ATOM 531 CB LYS A 34 15.013 16.779 -1.892 1.00 0.00 C ATOM 532 CG LYS A 34 16.055 17.063 -0.808 1.00 0.00 C ATOM 533 CD LYS A 34 16.758 15.775 -0.372 1.00 0.00 C ATOM 534 CE LYS A 34 16.003 15.099 0.774 1.00 0.00 C ATOM 535 NZ LYS A 34 16.451 15.637 2.078 1.00 0.00 N ATOM 0 H LYS A 34 13.813 16.465 -4.047 1.00 0.00 H new ATOM 0 HA LYS A 34 15.023 18.713 -2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.012 16.913 -1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.090 15.740 -2.212 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.791 17.774 -1.183 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.573 17.527 0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.830 15.091 -1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.777 16.001 -0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.931 15.260 0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.169 14.022 0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.929 15.168 2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.469 15.461 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.270 16.661 2.112 1.00 0.00 H new ATOM 549 N TYR A 35 16.894 16.681 -4.477 1.00 0.00 N ATOM 550 CA TYR A 35 18.203 16.538 -5.090 1.00 0.00 C ATOM 551 C TYR A 35 18.265 17.270 -6.432 1.00 0.00 C ATOM 552 O TYR A 35 19.088 16.943 -7.285 1.00 0.00 O ATOM 553 CB TYR A 35 18.396 15.039 -5.331 1.00 0.00 C ATOM 554 CG TYR A 35 19.715 14.684 -6.021 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.889 14.661 -5.295 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.731 14.389 -7.369 1.00 0.00 C ATOM 557 CE1 TYR A 35 22.129 14.326 -5.944 1.00 0.00 C ATOM 558 CE2 TYR A 35 20.972 14.054 -8.018 1.00 0.00 C ATOM 559 CZ TYR A 35 22.110 14.039 -7.273 1.00 0.00 C ATOM 560 OH TYR A 35 23.282 13.724 -7.887 1.00 0.00 O ATOM 0 H TYR A 35 16.224 15.954 -4.728 1.00 0.00 H new ATOM 0 HA TYR A 35 18.975 16.961 -4.447 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.347 14.518 -4.375 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.569 14.670 -5.938 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.877 14.894 -4.241 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.813 14.409 -7.937 1.00 0.00 H new ATOM 0 HE1 TYR A 35 23.054 14.303 -5.388 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.999 13.820 -9.072 1.00 0.00 H new ATOM 0 HH TYR A 35 23.669 12.929 -7.465 1.00 0.00 H new ATOM 570 N LEU A 36 17.383 18.248 -6.576 1.00 0.00 N ATOM 571 CA LEU A 36 17.326 19.030 -7.800 1.00 0.00 C ATOM 572 C LEU A 36 18.508 20.001 -7.836 1.00 0.00 C ATOM 573 O LEU A 36 19.204 20.100 -8.845 1.00 0.00 O ATOM 574 CB LEU A 36 15.964 19.715 -7.936 1.00 0.00 C ATOM 575 CG LEU A 36 15.862 20.798 -9.011 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.610 22.063 -8.587 1.00 0.00 C ATOM 577 CD2 LEU A 36 16.344 20.274 -10.365 1.00 0.00 C ATOM 0 H LEU A 36 16.702 18.517 -5.866 1.00 0.00 H new ATOM 0 HA LEU A 36 17.419 18.381 -8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.215 18.951 -8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.706 20.160 -6.975 1.00 0.00 H new ATOM 0 HG LEU A 36 14.812 21.068 -9.126 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.522 22.817 -9.369 1.00 0.00 H new ATOM 0 HD12 LEU A 36 16.180 22.447 -7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.662 21.827 -8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.261 21.064 -11.111 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.384 19.959 -10.284 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.731 19.425 -10.666 1.00 0.00 H new ATOM 589 N GLU A 37 18.698 20.692 -6.721 1.00 0.00 N ATOM 590 CA GLU A 37 19.784 21.651 -6.612 1.00 0.00 C ATOM 591 C GLU A 37 21.044 20.969 -6.077 1.00 0.00 C ATOM 592 O GLU A 37 22.122 21.561 -6.072 1.00 0.00 O ATOM 593 CB GLU A 37 19.384 22.834 -5.729 1.00 0.00 C ATOM 594 CG GLU A 37 18.509 23.825 -6.502 1.00 0.00 C ATOM 595 CD GLU A 37 18.762 25.260 -6.036 1.00 0.00 C ATOM 596 OE1 GLU A 37 19.953 25.633 -5.968 1.00 0.00 O ATOM 597 OE2 GLU A 37 17.759 25.951 -5.757 1.00 0.00 O ATOM 0 H GLU A 37 18.118 20.607 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 37 20.000 22.039 -7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 37 18.844 22.473 -4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.278 23.340 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.717 23.743 -7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.458 23.573 -6.362 1.00 0.00 H new ATOM 604 N GLU A 38 20.866 19.731 -5.638 1.00 0.00 N ATOM 605 CA GLU A 38 21.975 18.960 -5.101 1.00 0.00 C ATOM 606 C GLU A 38 22.752 18.287 -6.234 1.00 0.00 C ATOM 607 O GLU A 38 23.925 17.955 -6.075 1.00 0.00 O ATOM 608 CB GLU A 38 21.485 17.930 -4.083 1.00 0.00 C ATOM 609 CG GLU A 38 22.525 17.707 -2.983 1.00 0.00 C ATOM 610 CD GLU A 38 23.144 16.312 -3.088 1.00 0.00 C ATOM 611 OE1 GLU A 38 23.959 16.121 -4.017 1.00 0.00 O ATOM 612 OE2 GLU A 38 22.789 15.468 -2.238 1.00 0.00 O ATOM 0 H GLU A 38 19.970 19.243 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 38 22.648 19.642 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.549 18.269 -3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.276 16.986 -4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.307 18.462 -3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 38 22.058 17.829 -2.006 1.00 0.00 H new ATOM 619 N HIS A 39 22.065 18.104 -7.352 1.00 0.00 N ATOM 620 CA HIS A 39 22.675 17.476 -8.511 1.00 0.00 C ATOM 621 C HIS A 39 24.009 18.157 -8.822 1.00 0.00 C ATOM 622 O HIS A 39 24.065 19.376 -8.981 1.00 0.00 O ATOM 623 CB HIS A 39 21.714 17.482 -9.701 1.00 0.00 C ATOM 624 CG HIS A 39 22.069 16.491 -10.784 1.00 0.00 C ATOM 625 ND1 HIS A 39 21.994 16.792 -12.131 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.501 15.199 -10.701 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.367 15.724 -12.821 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.681 14.738 -11.932 1.00 0.00 N ATOM 0 H HIS A 39 21.091 18.380 -7.480 1.00 0.00 H new ATOM 0 HA HIS A 39 22.884 16.429 -8.293 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.707 17.267 -9.343 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.692 18.483 -10.132 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.701 17.685 -12.527 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.668 14.646 -9.788 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.414 15.648 -13.897 1.00 0.00 H new ATOM 636 N PRO A 40 25.078 17.320 -8.902 1.00 0.00 N ATOM 637 CA PRO A 40 26.407 17.830 -9.191 1.00 0.00 C ATOM 638 C PRO A 40 26.543 18.199 -10.669 1.00 0.00 C ATOM 639 O PRO A 40 27.310 19.095 -11.020 1.00 0.00 O ATOM 640 CB PRO A 40 27.354 16.718 -8.767 1.00 0.00 C ATOM 641 CG PRO A 40 26.510 15.457 -8.692 1.00 0.00 C ATOM 642 CD PRO A 40 25.048 15.872 -8.719 1.00 0.00 C ATOM 0 HA PRO A 40 26.630 18.753 -8.655 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.166 16.602 -9.485 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.810 16.940 -7.802 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.735 14.797 -9.530 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.733 14.902 -7.780 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.512 15.381 -9.531 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.542 15.600 -7.793 1.00 0.00 H new ATOM 650 N GLY A 41 25.787 17.492 -11.496 1.00 0.00 N ATOM 651 CA GLY A 41 25.813 17.734 -12.928 1.00 0.00 C ATOM 652 C GLY A 41 25.258 19.122 -13.260 1.00 0.00 C ATOM 653 O GLY A 41 25.992 19.995 -13.716 1.00 0.00 O ATOM 0 H GLY A 41 25.152 16.750 -11.201 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.835 17.650 -13.296 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.226 16.972 -13.440 1.00 0.00 H new ATOM 657 N GLY A 42 23.965 19.279 -13.015 1.00 0.00 N ATOM 658 CA GLY A 42 23.302 20.545 -13.282 1.00 0.00 C ATOM 659 C GLY A 42 21.856 20.522 -12.784 1.00 0.00 C ATOM 660 O GLY A 42 21.218 19.471 -12.767 1.00 0.00 O ATOM 0 H GLY A 42 23.359 18.552 -12.635 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.846 21.354 -12.794 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.319 20.750 -14.352 1.00 0.00 H new ATOM 664 N GLU A 43 21.380 21.695 -12.392 1.00 0.00 N ATOM 665 CA GLU A 43 20.021 21.822 -11.895 1.00 0.00 C ATOM 666 C GLU A 43 19.054 22.076 -13.053 1.00 0.00 C ATOM 667 O GLU A 43 17.851 21.857 -12.922 1.00 0.00 O ATOM 668 CB GLU A 43 19.922 22.931 -10.846 1.00 0.00 C ATOM 669 CG GLU A 43 20.236 24.298 -11.461 1.00 0.00 C ATOM 670 CD GLU A 43 21.080 25.147 -10.509 1.00 0.00 C ATOM 671 OE1 GLU A 43 22.309 24.922 -10.486 1.00 0.00 O ATOM 672 OE2 GLU A 43 20.476 26.003 -9.825 1.00 0.00 O ATOM 0 H GLU A 43 21.911 22.565 -12.409 1.00 0.00 H new ATOM 0 HA GLU A 43 19.743 20.885 -11.413 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.920 22.943 -10.417 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.615 22.727 -10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.768 24.163 -12.403 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.307 24.819 -11.692 1.00 0.00 H new ATOM 679 N GLU A 44 19.617 22.533 -14.163 1.00 0.00 N ATOM 680 CA GLU A 44 18.819 22.819 -15.344 1.00 0.00 C ATOM 681 C GLU A 44 18.599 21.542 -16.157 1.00 0.00 C ATOM 682 O GLU A 44 17.463 21.184 -16.461 1.00 0.00 O ATOM 683 CB GLU A 44 19.475 23.906 -16.197 1.00 0.00 C ATOM 684 CG GLU A 44 19.578 25.222 -15.423 1.00 0.00 C ATOM 685 CD GLU A 44 18.797 26.334 -16.125 1.00 0.00 C ATOM 686 OE1 GLU A 44 17.758 26.000 -16.736 1.00 0.00 O ATOM 687 OE2 GLU A 44 19.256 27.494 -16.036 1.00 0.00 O ATOM 0 H GLU A 44 20.616 22.712 -14.269 1.00 0.00 H new ATOM 0 HA GLU A 44 17.847 23.193 -15.022 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.469 23.582 -16.504 1.00 0.00 H new ATOM 0 HB3 GLU A 44 18.894 24.059 -17.107 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.193 25.085 -14.413 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.625 25.512 -15.329 1.00 0.00 H new ATOM 694 N VAL A 45 19.705 20.890 -16.486 1.00 0.00 N ATOM 695 CA VAL A 45 19.647 19.660 -17.258 1.00 0.00 C ATOM 696 C VAL A 45 18.471 18.812 -16.770 1.00 0.00 C ATOM 697 O VAL A 45 17.901 18.036 -17.536 1.00 0.00 O ATOM 698 CB VAL A 45 20.988 18.927 -17.176 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.660 19.164 -15.822 1.00 0.00 C ATOM 700 CG2 VAL A 45 20.812 17.432 -17.447 1.00 0.00 C ATOM 0 H VAL A 45 20.646 21.190 -16.232 1.00 0.00 H new ATOM 0 HA VAL A 45 19.475 19.878 -18.312 1.00 0.00 H new ATOM 0 HB VAL A 45 21.640 19.333 -17.949 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.611 18.632 -15.790 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.836 20.231 -15.685 1.00 0.00 H new ATOM 0 HG13 VAL A 45 21.012 18.798 -15.025 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.780 16.934 -17.383 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.135 17.005 -16.707 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.396 17.290 -18.444 1.00 0.00 H new ATOM 710 N LEU A 46 18.143 18.987 -15.499 1.00 0.00 N ATOM 711 CA LEU A 46 17.045 18.248 -14.900 1.00 0.00 C ATOM 712 C LEU A 46 15.733 18.988 -15.164 1.00 0.00 C ATOM 713 O LEU A 46 14.824 18.445 -15.789 1.00 0.00 O ATOM 714 CB LEU A 46 17.319 17.990 -13.417 1.00 0.00 C ATOM 715 CG LEU A 46 18.779 17.731 -13.039 1.00 0.00 C ATOM 716 CD1 LEU A 46 19.059 18.170 -11.601 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.155 16.268 -13.276 1.00 0.00 C ATOM 0 H LEU A 46 18.619 19.630 -14.867 1.00 0.00 H new ATOM 0 HA LEU A 46 16.953 17.264 -15.359 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.964 18.849 -12.848 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.725 17.132 -13.102 1.00 0.00 H new ATOM 0 HG LEU A 46 19.413 18.335 -13.688 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.103 17.975 -11.358 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.856 19.236 -11.500 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.417 17.612 -10.919 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.198 16.111 -12.999 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.518 15.626 -12.668 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.018 16.023 -14.329 1.00 0.00 H new ATOM 729 N ARG A 47 15.676 20.218 -14.672 1.00 0.00 N ATOM 730 CA ARG A 47 14.490 21.039 -14.846 1.00 0.00 C ATOM 731 C ARG A 47 14.198 21.240 -16.335 1.00 0.00 C ATOM 732 O ARG A 47 13.111 20.911 -16.808 1.00 0.00 O ATOM 733 CB ARG A 47 14.662 22.405 -14.178 1.00 0.00 C ATOM 734 CG ARG A 47 14.710 22.268 -12.655 1.00 0.00 C ATOM 735 CD ARG A 47 13.802 23.300 -11.983 1.00 0.00 C ATOM 736 NE ARG A 47 14.537 23.995 -10.904 1.00 0.00 N ATOM 737 CZ ARG A 47 15.509 24.894 -11.115 1.00 0.00 C ATOM 738 NH1 ARG A 47 15.866 25.214 -12.366 1.00 0.00 N ATOM 739 NH2 ARG A 47 16.121 25.474 -10.074 1.00 0.00 N ATOM 0 H ARG A 47 16.432 20.665 -14.153 1.00 0.00 H new ATOM 0 HA ARG A 47 13.655 20.520 -14.375 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.579 22.875 -14.534 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.838 23.059 -14.462 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.400 21.263 -12.367 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.735 22.398 -12.307 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.452 24.023 -12.720 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.919 22.808 -11.574 1.00 0.00 H new ATOM 0 HE ARG A 47 14.289 23.777 -9.939 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.398 24.774 -13.158 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.606 25.898 -12.526 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.847 25.232 -9.122 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.861 26.158 -10.234 1.00 0.00 H new ATOM 753 N GLU A 48 15.187 21.780 -17.032 1.00 0.00 N ATOM 754 CA GLU A 48 15.049 22.028 -18.456 1.00 0.00 C ATOM 755 C GLU A 48 14.184 20.946 -19.103 1.00 0.00 C ATOM 756 O GLU A 48 13.299 21.248 -19.902 1.00 0.00 O ATOM 757 CB GLU A 48 16.419 22.112 -19.133 1.00 0.00 C ATOM 758 CG GLU A 48 16.290 22.618 -20.572 1.00 0.00 C ATOM 759 CD GLU A 48 17.383 23.639 -20.894 1.00 0.00 C ATOM 760 OE1 GLU A 48 18.530 23.194 -21.109 1.00 0.00 O ATOM 761 OE2 GLU A 48 17.044 24.843 -20.918 1.00 0.00 O ATOM 0 H GLU A 48 16.087 22.052 -16.637 1.00 0.00 H new ATOM 0 HA GLU A 48 14.553 22.990 -18.590 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.068 22.779 -18.566 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.891 21.129 -19.130 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.356 21.778 -21.264 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.310 23.072 -20.715 1.00 0.00 H new ATOM 768 N GLN A 49 14.470 19.705 -18.735 1.00 0.00 N ATOM 769 CA GLN A 49 13.729 18.576 -19.270 1.00 0.00 C ATOM 770 C GLN A 49 13.286 17.648 -18.136 1.00 0.00 C ATOM 771 O GLN A 49 13.469 16.434 -18.216 1.00 0.00 O ATOM 772 CB GLN A 49 14.560 17.816 -20.307 1.00 0.00 C ATOM 773 CG GLN A 49 15.884 17.340 -19.707 1.00 0.00 C ATOM 774 CD GLN A 49 17.053 17.652 -20.643 1.00 0.00 C ATOM 775 OE1 GLN A 49 16.898 17.800 -21.845 1.00 0.00 O ATOM 776 NE2 GLN A 49 18.229 17.742 -20.030 1.00 0.00 N ATOM 0 H GLN A 49 15.205 19.457 -18.073 1.00 0.00 H new ATOM 0 HA GLN A 49 12.839 18.955 -19.773 1.00 0.00 H new ATOM 0 HB2 GLN A 49 13.995 16.960 -20.674 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.756 18.460 -21.164 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.046 17.824 -18.744 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.838 16.267 -19.521 1.00 0.00 H new ATOM 0 HE21 GLN A 49 18.290 17.607 -19.021 1.00 0.00 H new ATOM 0 HE22 GLN A 49 19.071 17.946 -20.569 1.00 0.00 H new ATOM 785 N ALA A 50 12.711 18.254 -17.108 1.00 0.00 N ATOM 786 CA ALA A 50 12.241 17.497 -15.960 1.00 0.00 C ATOM 787 C ALA A 50 11.028 16.659 -16.371 1.00 0.00 C ATOM 788 O ALA A 50 11.180 15.552 -16.886 1.00 0.00 O ATOM 789 CB ALA A 50 11.924 18.456 -14.811 1.00 0.00 C ATOM 0 H ALA A 50 12.560 19.261 -17.046 1.00 0.00 H new ATOM 0 HA ALA A 50 13.013 16.812 -15.609 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.571 17.888 -13.950 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.824 19.007 -14.538 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.150 19.157 -15.125 1.00 0.00 H new ATOM 795 N GLY A 51 9.853 17.218 -16.126 1.00 0.00 N ATOM 796 CA GLY A 51 8.614 16.536 -16.464 1.00 0.00 C ATOM 797 C GLY A 51 8.758 15.754 -17.771 1.00 0.00 C ATOM 798 O GLY A 51 8.142 14.704 -17.941 1.00 0.00 O ATOM 0 H GLY A 51 9.732 18.136 -15.697 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.337 15.856 -15.658 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.808 17.264 -16.558 1.00 0.00 H new ATOM 802 N GLY A 52 9.575 16.298 -18.662 1.00 0.00 N ATOM 803 CA GLY A 52 9.807 15.665 -19.948 1.00 0.00 C ATOM 804 C GLY A 52 10.399 14.265 -19.772 1.00 0.00 C ATOM 805 O GLY A 52 10.002 13.528 -18.872 1.00 0.00 O ATOM 0 H GLY A 52 10.084 17.170 -18.518 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.869 15.600 -20.500 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.485 16.278 -20.542 1.00 0.00 H new ATOM 809 N ASP A 53 11.341 13.941 -20.646 1.00 0.00 N ATOM 810 CA ASP A 53 11.992 12.643 -20.598 1.00 0.00 C ATOM 811 C ASP A 53 13.508 12.835 -20.668 1.00 0.00 C ATOM 812 O ASP A 53 14.033 13.298 -21.679 1.00 0.00 O ATOM 813 CB ASP A 53 11.571 11.771 -21.783 1.00 0.00 C ATOM 814 CG ASP A 53 12.349 10.462 -21.931 1.00 0.00 C ATOM 815 OD1 ASP A 53 13.054 10.109 -20.963 1.00 0.00 O ATOM 816 OD2 ASP A 53 12.219 9.844 -23.010 1.00 0.00 O ATOM 0 H ASP A 53 11.669 14.555 -21.391 1.00 0.00 H new ATOM 0 HA ASP A 53 11.700 12.154 -19.669 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.511 11.537 -21.684 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.685 12.350 -22.699 1.00 0.00 H new ATOM 821 N ALA A 54 14.169 12.470 -19.580 1.00 0.00 N ATOM 822 CA ALA A 54 15.615 12.595 -19.504 1.00 0.00 C ATOM 823 C ALA A 54 16.239 11.204 -19.384 1.00 0.00 C ATOM 824 O ALA A 54 17.361 11.062 -18.900 1.00 0.00 O ATOM 825 CB ALA A 54 15.988 13.505 -18.332 1.00 0.00 C ATOM 0 H ALA A 54 13.730 12.087 -18.743 1.00 0.00 H new ATOM 0 HA ALA A 54 16.008 13.054 -20.411 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.072 13.599 -18.275 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.546 14.490 -18.481 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.612 13.075 -17.404 1.00 0.00 H new ATOM 831 N THR A 55 15.483 10.211 -19.830 1.00 0.00 N ATOM 832 CA THR A 55 15.948 8.835 -19.779 1.00 0.00 C ATOM 833 C THR A 55 17.326 8.713 -20.431 1.00 0.00 C ATOM 834 O THR A 55 18.296 8.333 -19.774 1.00 0.00 O ATOM 835 CB THR A 55 14.885 7.952 -20.435 1.00 0.00 C ATOM 836 OG1 THR A 55 13.878 7.819 -19.436 1.00 0.00 O ATOM 837 CG2 THR A 55 15.374 6.520 -20.665 1.00 0.00 C ATOM 0 H THR A 55 14.552 10.332 -20.228 1.00 0.00 H new ATOM 0 HA THR A 55 16.080 8.500 -18.750 1.00 0.00 H new ATOM 0 HB THR A 55 14.586 8.391 -21.387 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.765 8.674 -18.970 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.582 5.936 -21.133 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.247 6.534 -21.317 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.642 6.069 -19.709 1.00 0.00 H new ATOM 845 N GLU A 56 17.372 9.043 -21.713 1.00 0.00 N ATOM 846 CA GLU A 56 18.615 8.974 -22.460 1.00 0.00 C ATOM 847 C GLU A 56 19.624 9.982 -21.905 1.00 0.00 C ATOM 848 O GLU A 56 20.809 9.675 -21.782 1.00 0.00 O ATOM 849 CB GLU A 56 18.372 9.208 -23.952 1.00 0.00 C ATOM 850 CG GLU A 56 17.458 8.128 -24.535 1.00 0.00 C ATOM 851 CD GLU A 56 18.122 7.429 -25.723 1.00 0.00 C ATOM 852 OE1 GLU A 56 19.248 6.922 -25.526 1.00 0.00 O ATOM 853 OE2 GLU A 56 17.490 7.417 -26.801 1.00 0.00 O ATOM 0 H GLU A 56 16.567 9.359 -22.254 1.00 0.00 H new ATOM 0 HA GLU A 56 19.030 7.972 -22.346 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.922 10.190 -24.101 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.324 9.210 -24.483 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.219 7.395 -23.765 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.516 8.576 -24.852 1.00 0.00 H new ATOM 860 N ASN A 57 19.117 11.163 -21.584 1.00 0.00 N ATOM 861 CA ASN A 57 19.959 12.217 -21.046 1.00 0.00 C ATOM 862 C ASN A 57 20.531 11.769 -19.699 1.00 0.00 C ATOM 863 O ASN A 57 21.500 12.346 -19.209 1.00 0.00 O ATOM 864 CB ASN A 57 19.157 13.499 -20.814 1.00 0.00 C ATOM 865 CG ASN A 57 19.318 14.467 -21.988 1.00 0.00 C ATOM 866 OD1 ASN A 57 18.395 14.731 -22.741 1.00 0.00 O ATOM 867 ND2 ASN A 57 20.541 14.978 -22.103 1.00 0.00 N ATOM 0 H ASN A 57 18.133 11.413 -21.686 1.00 0.00 H new ATOM 0 HA ASN A 57 20.754 12.413 -21.766 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.103 13.254 -20.682 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.490 13.979 -19.894 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.751 15.633 -22.856 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.268 14.715 -21.438 1.00 0.00 H new ATOM 874 N PHE A 58 19.908 10.743 -19.140 1.00 0.00 N ATOM 875 CA PHE A 58 20.342 10.210 -17.860 1.00 0.00 C ATOM 876 C PHE A 58 21.282 9.018 -18.053 1.00 0.00 C ATOM 877 O PHE A 58 22.270 8.879 -17.333 1.00 0.00 O ATOM 878 CB PHE A 58 19.087 9.741 -17.120 1.00 0.00 C ATOM 879 CG PHE A 58 19.338 8.603 -16.128 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.483 7.327 -16.578 1.00 0.00 C ATOM 881 CD2 PHE A 58 19.417 8.868 -14.797 1.00 0.00 C ATOM 882 CE1 PHE A 58 19.715 6.272 -15.657 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.651 7.813 -13.876 1.00 0.00 C ATOM 884 CZ PHE A 58 19.794 6.537 -14.325 1.00 0.00 C ATOM 0 H PHE A 58 19.105 10.266 -19.550 1.00 0.00 H new ATOM 0 HA PHE A 58 20.880 10.976 -17.302 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.656 10.587 -16.585 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.347 9.415 -17.851 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.422 7.117 -17.636 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.302 9.881 -14.440 1.00 0.00 H new ATOM 0 HE1 PHE A 58 19.829 5.259 -16.014 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.715 8.024 -12.819 1.00 0.00 H new ATOM 0 HZ PHE A 58 19.970 5.734 -13.624 1.00 0.00 H new ATOM 894 N GLU A 59 20.941 8.188 -19.028 1.00 0.00 N ATOM 895 CA GLU A 59 21.742 7.012 -19.324 1.00 0.00 C ATOM 896 C GLU A 59 22.979 7.404 -20.134 1.00 0.00 C ATOM 897 O GLU A 59 24.048 6.821 -19.961 1.00 0.00 O ATOM 898 CB GLU A 59 20.915 5.958 -20.062 1.00 0.00 C ATOM 899 CG GLU A 59 19.901 5.301 -19.124 1.00 0.00 C ATOM 900 CD GLU A 59 19.641 3.848 -19.529 1.00 0.00 C ATOM 901 OE1 GLU A 59 18.885 3.658 -20.507 1.00 0.00 O ATOM 902 OE2 GLU A 59 20.203 2.960 -18.852 1.00 0.00 O ATOM 0 H GLU A 59 20.121 8.306 -19.623 1.00 0.00 H new ATOM 0 HA GLU A 59 22.072 6.574 -18.382 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.394 6.421 -20.900 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.576 5.198 -20.478 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.272 5.336 -18.100 1.00 0.00 H new ATOM 0 HG3 GLU A 59 18.966 5.861 -19.144 1.00 0.00 H new ATOM 909 N ASP A 60 22.794 8.389 -21.000 1.00 0.00 N ATOM 910 CA ASP A 60 23.882 8.865 -21.836 1.00 0.00 C ATOM 911 C ASP A 60 25.031 9.345 -20.947 1.00 0.00 C ATOM 912 O ASP A 60 26.194 9.052 -21.219 1.00 0.00 O ATOM 913 CB ASP A 60 23.434 10.043 -22.706 1.00 0.00 C ATOM 914 CG ASP A 60 24.430 10.462 -23.789 1.00 0.00 C ATOM 915 OD1 ASP A 60 24.592 9.674 -24.746 1.00 0.00 O ATOM 916 OD2 ASP A 60 25.005 11.561 -23.636 1.00 0.00 O ATOM 0 H ASP A 60 21.906 8.871 -21.141 1.00 0.00 H new ATOM 0 HA ASP A 60 24.199 8.042 -22.477 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.489 9.784 -23.183 1.00 0.00 H new ATOM 0 HB3 ASP A 60 23.241 10.900 -22.060 1.00 0.00 H new ATOM 921 N VAL A 61 24.665 10.074 -19.903 1.00 0.00 N ATOM 922 CA VAL A 61 25.650 10.597 -18.972 1.00 0.00 C ATOM 923 C VAL A 61 26.253 9.440 -18.171 1.00 0.00 C ATOM 924 O VAL A 61 27.308 9.590 -17.557 1.00 0.00 O ATOM 925 CB VAL A 61 25.016 11.671 -18.087 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.269 12.706 -18.931 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.091 11.045 -17.042 1.00 0.00 C ATOM 0 H VAL A 61 23.699 10.315 -19.681 1.00 0.00 H new ATOM 0 HA VAL A 61 26.466 11.080 -19.510 1.00 0.00 H new ATOM 0 HB VAL A 61 25.818 12.186 -17.558 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.828 13.458 -18.277 1.00 0.00 H new ATOM 0 HG12 VAL A 61 24.966 13.186 -19.618 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.481 12.212 -19.499 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.653 11.831 -16.426 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.297 10.492 -17.544 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.663 10.365 -16.410 1.00 0.00 H new ATOM 937 N GLY A 62 25.555 8.314 -18.203 1.00 0.00 N ATOM 938 CA GLY A 62 26.008 7.134 -17.487 1.00 0.00 C ATOM 939 C GLY A 62 26.136 7.416 -15.989 1.00 0.00 C ATOM 940 O GLY A 62 27.218 7.747 -15.507 1.00 0.00 O ATOM 0 H GLY A 62 24.680 8.194 -18.713 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.307 6.315 -17.648 1.00 0.00 H new ATOM 0 HA3 GLY A 62 26.971 6.811 -17.883 1.00 0.00 H new ATOM 944 N HIS A 63 25.017 7.275 -15.295 1.00 0.00 N ATOM 945 CA HIS A 63 24.991 7.511 -13.861 1.00 0.00 C ATOM 946 C HIS A 63 25.753 6.395 -13.144 1.00 0.00 C ATOM 947 O HIS A 63 25.648 5.228 -13.516 1.00 0.00 O ATOM 948 CB HIS A 63 23.552 7.664 -13.362 1.00 0.00 C ATOM 949 CG HIS A 63 22.950 9.021 -13.629 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.691 9.489 -14.905 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.558 10.007 -12.770 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.167 10.703 -14.809 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.086 11.022 -13.485 1.00 0.00 N ATOM 0 H HIS A 63 24.121 7.000 -15.698 1.00 0.00 H new ATOM 0 HA HIS A 63 25.494 8.451 -13.633 1.00 0.00 H new ATOM 0 HB2 HIS A 63 22.931 6.903 -13.836 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.528 7.472 -12.289 1.00 0.00 H new ATOM 0 HD1 HIS A 63 22.873 8.985 -15.773 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.621 9.968 -11.693 1.00 0.00 H new ATOM 0 HE1 HIS A 63 21.859 11.329 -15.633 1.00 0.00 H new ATOM 961 N SER A 64 26.504 6.795 -12.127 1.00 0.00 N ATOM 962 CA SER A 64 27.283 5.843 -11.354 1.00 0.00 C ATOM 963 C SER A 64 26.387 5.138 -10.335 1.00 0.00 C ATOM 964 O SER A 64 25.240 5.534 -10.133 1.00 0.00 O ATOM 965 CB SER A 64 28.451 6.533 -10.647 1.00 0.00 C ATOM 966 OG SER A 64 29.712 6.050 -11.102 1.00 0.00 O ATOM 0 H SER A 64 26.589 7.764 -11.821 1.00 0.00 H new ATOM 0 HA SER A 64 27.695 5.102 -12.039 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.393 7.608 -10.816 1.00 0.00 H new ATOM 0 HB3 SER A 64 28.369 6.374 -9.572 1.00 0.00 H new ATOM 0 HG SER A 64 30.432 6.517 -10.628 1.00 0.00 H new ATOM 972 N THR A 65 26.943 4.105 -9.719 1.00 0.00 N ATOM 973 CA THR A 65 26.208 3.341 -8.725 1.00 0.00 C ATOM 974 C THR A 65 25.616 4.274 -7.667 1.00 0.00 C ATOM 975 O THR A 65 24.448 4.146 -7.305 1.00 0.00 O ATOM 976 CB THR A 65 27.153 2.287 -8.145 1.00 0.00 C ATOM 977 OG1 THR A 65 26.919 1.133 -8.947 1.00 0.00 O ATOM 978 CG2 THR A 65 26.749 1.850 -6.735 1.00 0.00 C ATOM 0 H THR A 65 27.894 3.779 -9.889 1.00 0.00 H new ATOM 0 HA THR A 65 25.358 2.825 -9.171 1.00 0.00 H new ATOM 0 HB THR A 65 28.169 2.682 -8.125 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.493 0.400 -8.641 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.452 1.101 -6.371 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.760 2.713 -6.069 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.746 1.424 -6.760 1.00 0.00 H new ATOM 986 N ASP A 66 26.449 5.193 -7.200 1.00 0.00 N ATOM 987 CA ASP A 66 26.023 6.147 -6.190 1.00 0.00 C ATOM 988 C ASP A 66 24.616 6.644 -6.527 1.00 0.00 C ATOM 989 O ASP A 66 23.786 6.818 -5.637 1.00 0.00 O ATOM 990 CB ASP A 66 26.956 7.358 -6.149 1.00 0.00 C ATOM 991 CG ASP A 66 26.399 8.577 -5.410 1.00 0.00 C ATOM 992 OD1 ASP A 66 25.491 8.370 -4.576 1.00 0.00 O ATOM 993 OD2 ASP A 66 26.895 9.689 -5.695 1.00 0.00 O ATOM 0 H ASP A 66 27.417 5.297 -7.503 1.00 0.00 H new ATOM 0 HA ASP A 66 26.041 5.646 -5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 66 27.892 7.061 -5.676 1.00 0.00 H new ATOM 0 HB3 ASP A 66 27.194 7.649 -7.172 1.00 0.00 H new ATOM 998 N ALA A 67 24.392 6.858 -7.815 1.00 0.00 N ATOM 999 CA ALA A 67 23.100 7.333 -8.280 1.00 0.00 C ATOM 1000 C ALA A 67 22.057 6.229 -8.090 1.00 0.00 C ATOM 1001 O ALA A 67 20.969 6.479 -7.573 1.00 0.00 O ATOM 1002 CB ALA A 67 23.214 7.780 -9.739 1.00 0.00 C ATOM 0 H ALA A 67 25.083 6.711 -8.551 1.00 0.00 H new ATOM 0 HA ALA A 67 22.778 8.197 -7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.244 8.136 -10.087 1.00 0.00 H new ATOM 0 HB2 ALA A 67 23.945 8.584 -9.817 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.533 6.938 -10.354 1.00 0.00 H new ATOM 1008 N ARG A 68 22.425 5.031 -8.519 1.00 0.00 N ATOM 1009 CA ARG A 68 21.536 3.887 -8.402 1.00 0.00 C ATOM 1010 C ARG A 68 20.809 3.916 -7.056 1.00 0.00 C ATOM 1011 O ARG A 68 19.613 3.637 -6.986 1.00 0.00 O ATOM 1012 CB ARG A 68 22.309 2.573 -8.528 1.00 0.00 C ATOM 1013 CG ARG A 68 21.446 1.489 -9.178 1.00 0.00 C ATOM 1014 CD ARG A 68 21.643 1.469 -10.695 1.00 0.00 C ATOM 1015 NE ARG A 68 22.683 0.481 -11.057 1.00 0.00 N ATOM 1016 CZ ARG A 68 23.325 0.463 -12.233 1.00 0.00 C ATOM 1017 NH1 ARG A 68 23.037 1.378 -13.169 1.00 0.00 N ATOM 1018 NH2 ARG A 68 24.255 -0.472 -12.474 1.00 0.00 N ATOM 0 H ARG A 68 23.327 4.827 -8.949 1.00 0.00 H new ATOM 0 HA ARG A 68 20.810 3.947 -9.213 1.00 0.00 H new ATOM 0 HB2 ARG A 68 23.209 2.732 -9.123 1.00 0.00 H new ATOM 0 HB3 ARG A 68 22.633 2.242 -7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.704 0.515 -8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.396 1.667 -8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 68 20.704 1.218 -11.189 1.00 0.00 H new ATOM 0 HD3 ARG A 68 21.933 2.460 -11.045 1.00 0.00 H new ATOM 0 HE ARG A 68 22.927 -0.231 -10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 68 22.329 2.089 -12.986 1.00 0.00 H new ATOM 0 HH12 ARG A 68 23.526 1.364 -14.064 1.00 0.00 H new ATOM 0 HH21 ARG A 68 24.474 -1.169 -11.762 1.00 0.00 H new ATOM 0 HH22 ARG A 68 24.744 -0.486 -13.369 1.00 0.00 H new ATOM 1032 N GLU A 69 21.562 4.256 -6.020 1.00 0.00 N ATOM 1033 CA GLU A 69 21.003 4.325 -4.680 1.00 0.00 C ATOM 1034 C GLU A 69 20.044 5.511 -4.565 1.00 0.00 C ATOM 1035 O GLU A 69 18.876 5.337 -4.218 1.00 0.00 O ATOM 1036 CB GLU A 69 22.112 4.414 -3.628 1.00 0.00 C ATOM 1037 CG GLU A 69 21.802 3.516 -2.429 1.00 0.00 C ATOM 1038 CD GLU A 69 23.088 2.955 -1.817 1.00 0.00 C ATOM 1039 OE1 GLU A 69 24.054 3.741 -1.709 1.00 0.00 O ATOM 1040 OE2 GLU A 69 23.077 1.753 -1.473 1.00 0.00 O ATOM 0 H GLU A 69 22.554 4.487 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 69 20.442 3.409 -4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 69 23.063 4.120 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 69 22.221 5.446 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.255 4.084 -1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 69 21.156 2.696 -2.742 1.00 0.00 H new ATOM 1047 N LEU A 70 20.570 6.689 -4.864 1.00 0.00 N ATOM 1048 CA LEU A 70 19.774 7.903 -4.798 1.00 0.00 C ATOM 1049 C LEU A 70 18.492 7.712 -5.614 1.00 0.00 C ATOM 1050 O LEU A 70 17.395 7.702 -5.058 1.00 0.00 O ATOM 1051 CB LEU A 70 20.604 9.112 -5.233 1.00 0.00 C ATOM 1052 CG LEU A 70 21.390 9.820 -4.126 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.862 8.822 -3.067 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.549 10.630 -4.709 1.00 0.00 C ATOM 0 H LEU A 70 21.538 6.829 -5.153 1.00 0.00 H new ATOM 0 HA LEU A 70 19.472 8.105 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.307 8.788 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.937 9.837 -5.698 1.00 0.00 H new ATOM 0 HG LEU A 70 20.724 10.525 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.418 9.350 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 70 20.998 8.328 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.507 8.076 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.091 11.123 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.225 9.964 -5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.159 11.381 -5.396 1.00 0.00 H new ATOM 1066 N SER A 71 18.675 7.563 -6.917 1.00 0.00 N ATOM 1067 CA SER A 71 17.548 7.373 -7.814 1.00 0.00 C ATOM 1068 C SER A 71 16.452 6.568 -7.112 1.00 0.00 C ATOM 1069 O SER A 71 15.313 7.024 -7.007 1.00 0.00 O ATOM 1070 CB SER A 71 17.981 6.669 -9.102 1.00 0.00 C ATOM 1071 OG SER A 71 18.828 5.554 -8.842 1.00 0.00 O ATOM 0 H SER A 71 19.587 7.570 -7.374 1.00 0.00 H new ATOM 0 HA SER A 71 17.155 8.354 -8.083 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.098 6.334 -9.647 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.502 7.378 -9.745 1.00 0.00 H new ATOM 0 HG SER A 71 19.674 5.868 -8.460 1.00 0.00 H new ATOM 1077 N LYS A 72 16.833 5.386 -6.652 1.00 0.00 N ATOM 1078 CA LYS A 72 15.897 4.514 -5.963 1.00 0.00 C ATOM 1079 C LYS A 72 15.293 5.259 -4.771 1.00 0.00 C ATOM 1080 O LYS A 72 14.073 5.308 -4.618 1.00 0.00 O ATOM 1081 CB LYS A 72 16.573 3.194 -5.585 1.00 0.00 C ATOM 1082 CG LYS A 72 15.791 2.473 -4.485 1.00 0.00 C ATOM 1083 CD LYS A 72 15.588 0.997 -4.833 1.00 0.00 C ATOM 1084 CE LYS A 72 14.660 0.841 -6.039 1.00 0.00 C ATOM 1085 NZ LYS A 72 14.497 -0.589 -6.384 1.00 0.00 N ATOM 0 H LYS A 72 17.777 5.011 -6.743 1.00 0.00 H new ATOM 0 HA LYS A 72 15.071 4.246 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 72 16.646 2.554 -6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 72 17.591 3.387 -5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.326 2.557 -3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.823 2.954 -4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.551 0.535 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.167 0.472 -3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.688 1.281 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.068 1.383 -6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.864 -0.678 -7.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.425 -0.998 -6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.087 -1.097 -5.574 1.00 0.00 H new ATOM 1099 N THR A 73 16.175 5.822 -3.959 1.00 0.00 N ATOM 1100 CA THR A 73 15.744 6.563 -2.784 1.00 0.00 C ATOM 1101 C THR A 73 14.830 7.721 -3.190 1.00 0.00 C ATOM 1102 O THR A 73 13.925 8.093 -2.446 1.00 0.00 O ATOM 1103 CB THR A 73 16.994 7.013 -2.025 1.00 0.00 C ATOM 1104 OG1 THR A 73 17.047 6.143 -0.898 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.837 8.406 -1.413 1.00 0.00 C ATOM 0 H THR A 73 17.186 5.781 -4.090 1.00 0.00 H new ATOM 0 HA THR A 73 15.149 5.938 -2.118 1.00 0.00 H new ATOM 0 HB THR A 73 17.850 7.007 -2.699 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.830 6.364 -0.351 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.752 8.677 -0.886 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.645 9.131 -2.204 1.00 0.00 H new ATOM 0 HG23 THR A 73 16.002 8.404 -0.713 1.00 0.00 H new ATOM 1113 N TYR A 74 15.099 8.258 -4.372 1.00 0.00 N ATOM 1114 CA TYR A 74 14.312 9.366 -4.886 1.00 0.00 C ATOM 1115 C TYR A 74 13.277 8.879 -5.902 1.00 0.00 C ATOM 1116 O TYR A 74 13.078 9.508 -6.940 1.00 0.00 O ATOM 1117 CB TYR A 74 15.302 10.296 -5.591 1.00 0.00 C ATOM 1118 CG TYR A 74 16.094 11.197 -4.641 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.267 10.739 -4.074 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.636 12.465 -4.351 1.00 0.00 C ATOM 1121 CE1 TYR A 74 18.012 11.587 -3.179 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.382 13.314 -3.457 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.533 12.832 -2.915 1.00 0.00 C ATOM 1124 OH TYR A 74 18.237 13.633 -2.072 1.00 0.00 O ATOM 0 H TYR A 74 15.850 7.946 -4.987 1.00 0.00 H new ATOM 0 HA TYR A 74 13.775 9.862 -4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 74 16.001 9.693 -6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.757 10.921 -6.298 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.625 9.746 -4.301 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.718 12.822 -4.794 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.930 11.242 -2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 74 16.035 14.310 -3.223 1.00 0.00 H new ATOM 0 HH TYR A 74 18.046 13.380 -1.145 1.00 0.00 H new ATOM 1134 N ILE A 75 12.646 7.763 -5.567 1.00 0.00 N ATOM 1135 CA ILE A 75 11.637 7.184 -6.437 1.00 0.00 C ATOM 1136 C ILE A 75 10.284 7.200 -5.722 1.00 0.00 C ATOM 1137 O ILE A 75 10.208 6.935 -4.524 1.00 0.00 O ATOM 1138 CB ILE A 75 12.068 5.794 -6.906 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.527 5.495 -8.307 1.00 0.00 C ATOM 1140 CG2 ILE A 75 11.660 4.722 -5.894 1.00 0.00 C ATOM 1141 CD1 ILE A 75 12.272 4.320 -8.943 1.00 0.00 C ATOM 0 H ILE A 75 12.814 7.245 -4.705 1.00 0.00 H new ATOM 0 HA ILE A 75 11.527 7.780 -7.343 1.00 0.00 H new ATOM 0 HB ILE A 75 13.156 5.778 -6.970 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.463 5.267 -8.249 1.00 0.00 H new ATOM 0 HG13 ILE A 75 11.629 6.379 -8.937 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.979 3.743 -6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.133 4.929 -4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.577 4.729 -5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.868 4.129 -9.937 1.00 0.00 H new ATOM 0 HD12 ILE A 75 13.332 4.561 -9.022 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.147 3.432 -8.324 1.00 0.00 H new ATOM 1153 N ILE A 76 9.249 7.514 -6.489 1.00 0.00 N ATOM 1154 CA ILE A 76 7.903 7.567 -5.944 1.00 0.00 C ATOM 1155 C ILE A 76 7.003 6.609 -6.724 1.00 0.00 C ATOM 1156 O ILE A 76 6.119 5.975 -6.151 1.00 0.00 O ATOM 1157 CB ILE A 76 7.393 9.010 -5.920 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.843 9.419 -7.289 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.478 9.968 -5.428 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.976 9.803 -8.242 1.00 0.00 C ATOM 0 H ILE A 76 9.316 7.734 -7.483 1.00 0.00 H new ATOM 0 HA ILE A 76 7.898 7.234 -4.906 1.00 0.00 H new ATOM 0 HB ILE A 76 6.568 9.069 -5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.268 8.596 -7.714 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.159 10.260 -7.174 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.089 10.986 -5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.780 9.688 -4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.340 9.914 -6.093 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.558 10.089 -9.207 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.534 10.641 -7.825 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.644 8.952 -8.374 1.00 0.00 H new ATOM 1172 N GLY A 77 7.259 6.531 -8.023 1.00 0.00 N ATOM 1173 CA GLY A 77 6.482 5.661 -8.888 1.00 0.00 C ATOM 1174 C GLY A 77 6.836 5.892 -10.358 1.00 0.00 C ATOM 1175 O GLY A 77 7.843 6.529 -10.666 1.00 0.00 O ATOM 0 H GLY A 77 7.994 7.057 -8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.668 4.620 -8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.419 5.844 -8.733 1.00 0.00 H new ATOM 1179 N GLU A 78 5.987 5.363 -11.228 1.00 0.00 N ATOM 1180 CA GLU A 78 6.197 5.505 -12.659 1.00 0.00 C ATOM 1181 C GLU A 78 5.023 6.251 -13.297 1.00 0.00 C ATOM 1182 O GLU A 78 3.988 6.447 -12.660 1.00 0.00 O ATOM 1183 CB GLU A 78 6.405 4.142 -13.321 1.00 0.00 C ATOM 1184 CG GLU A 78 5.124 3.307 -13.271 1.00 0.00 C ATOM 1185 CD GLU A 78 5.054 2.338 -14.453 1.00 0.00 C ATOM 1186 OE1 GLU A 78 4.602 2.787 -15.528 1.00 0.00 O ATOM 1187 OE2 GLU A 78 5.454 1.171 -14.254 1.00 0.00 O ATOM 0 H GLU A 78 5.153 4.836 -10.969 1.00 0.00 H new ATOM 0 HA GLU A 78 7.103 6.090 -12.817 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.713 4.280 -14.357 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.211 3.608 -12.817 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.086 2.749 -12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.256 3.966 -13.284 1.00 0.00 H new ATOM 1194 N LEU A 79 5.221 6.645 -14.546 1.00 0.00 N ATOM 1195 CA LEU A 79 4.192 7.363 -15.276 1.00 0.00 C ATOM 1196 C LEU A 79 3.484 6.401 -16.232 1.00 0.00 C ATOM 1197 O LEU A 79 4.063 5.400 -16.652 1.00 0.00 O ATOM 1198 CB LEU A 79 4.785 8.593 -15.969 1.00 0.00 C ATOM 1199 CG LEU A 79 5.529 8.330 -17.280 1.00 0.00 C ATOM 1200 CD1 LEU A 79 6.547 7.199 -17.115 1.00 0.00 C ATOM 1201 CD2 LEU A 79 4.549 8.056 -18.421 1.00 0.00 C ATOM 0 H LEU A 79 6.080 6.480 -15.071 1.00 0.00 H new ATOM 0 HA LEU A 79 3.436 7.745 -14.590 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.978 9.298 -16.167 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.471 9.080 -15.276 1.00 0.00 H new ATOM 0 HG LEU A 79 6.086 9.229 -17.543 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.062 7.032 -18.061 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.273 7.472 -16.350 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.031 6.286 -16.817 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.104 7.872 -19.341 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.946 7.181 -18.180 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.898 8.919 -18.556 1.00 0.00 H new ATOM 1213 N HIS A 80 2.241 6.737 -16.547 1.00 0.00 N ATOM 1214 CA HIS A 80 1.448 5.916 -17.445 1.00 0.00 C ATOM 1215 C HIS A 80 2.286 5.538 -18.668 1.00 0.00 C ATOM 1216 O HIS A 80 2.551 6.377 -19.528 1.00 0.00 O ATOM 1217 CB HIS A 80 0.142 6.620 -17.816 1.00 0.00 C ATOM 1218 CG HIS A 80 -0.993 5.679 -18.141 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -2.318 6.077 -18.152 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -0.986 4.354 -18.467 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -3.067 5.032 -18.471 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.239 3.965 -18.665 1.00 0.00 N ATOM 0 H HIS A 80 1.764 7.567 -16.196 1.00 0.00 H new ATOM 0 HA HIS A 80 1.163 4.992 -16.942 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.159 7.264 -16.990 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.321 7.267 -18.675 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.110 3.728 -18.550 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.143 5.026 -18.562 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.535 3.023 -18.920 1.00 0.00 H new ATOM 1230 N PRO A 81 2.689 4.239 -18.710 1.00 0.00 N ATOM 1231 CA PRO A 81 3.491 3.739 -19.814 1.00 0.00 C ATOM 1232 C PRO A 81 2.637 3.550 -21.070 1.00 0.00 C ATOM 1233 O PRO A 81 3.150 3.174 -22.122 1.00 0.00 O ATOM 1234 CB PRO A 81 4.094 2.440 -19.306 1.00 0.00 C ATOM 1235 CG PRO A 81 3.246 2.025 -18.115 1.00 0.00 C ATOM 1236 CD PRO A 81 2.394 3.216 -17.710 1.00 0.00 C ATOM 0 HA PRO A 81 4.274 4.435 -20.114 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.081 1.674 -20.081 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.135 2.580 -19.014 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.615 1.175 -18.374 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.880 1.710 -17.286 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.334 2.961 -17.705 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.645 3.559 -16.706 1.00 0.00 H new ATOM 1244 N ASP A 82 1.349 3.821 -20.917 1.00 0.00 N ATOM 1245 CA ASP A 82 0.419 3.685 -22.026 1.00 0.00 C ATOM 1246 C ASP A 82 0.520 4.920 -22.924 1.00 0.00 C ATOM 1247 O ASP A 82 0.358 4.824 -24.140 1.00 0.00 O ATOM 1248 CB ASP A 82 -1.022 3.581 -21.526 1.00 0.00 C ATOM 1249 CG ASP A 82 -1.958 2.763 -22.418 1.00 0.00 C ATOM 1250 OD1 ASP A 82 -1.460 2.250 -23.444 1.00 0.00 O ATOM 1251 OD2 ASP A 82 -3.150 2.669 -22.054 1.00 0.00 O ATOM 0 H ASP A 82 0.927 4.134 -20.042 1.00 0.00 H new ATOM 0 HA ASP A 82 0.677 2.779 -22.574 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.014 3.138 -20.530 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.429 4.587 -21.424 1.00 0.00 H new ATOM 1256 N ASP A 83 0.788 6.053 -22.291 1.00 0.00 N ATOM 1257 CA ASP A 83 0.913 7.306 -23.017 1.00 0.00 C ATOM 1258 C ASP A 83 2.395 7.628 -23.218 1.00 0.00 C ATOM 1259 O ASP A 83 2.747 8.432 -24.080 1.00 0.00 O ATOM 1260 CB ASP A 83 0.279 8.459 -22.238 1.00 0.00 C ATOM 1261 CG ASP A 83 -1.244 8.386 -22.098 1.00 0.00 C ATOM 1262 OD1 ASP A 83 -1.869 7.805 -23.010 1.00 0.00 O ATOM 1263 OD2 ASP A 83 -1.746 8.912 -21.082 1.00 0.00 O ATOM 0 H ASP A 83 0.922 6.130 -21.283 1.00 0.00 H new ATOM 0 HA ASP A 83 0.403 7.194 -23.974 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.719 8.489 -21.241 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.539 9.396 -22.730 1.00 0.00 H new ATOM 1268 N ARG A 84 3.223 6.986 -22.407 1.00 0.00 N ATOM 1269 CA ARG A 84 4.658 7.195 -22.485 1.00 0.00 C ATOM 1270 C ARG A 84 5.176 6.816 -23.875 1.00 0.00 C ATOM 1271 O ARG A 84 6.128 7.418 -24.371 1.00 0.00 O ATOM 1272 CB ARG A 84 5.394 6.364 -21.432 1.00 0.00 C ATOM 1273 CG ARG A 84 6.740 6.999 -21.074 1.00 0.00 C ATOM 1274 CD ARG A 84 7.783 6.720 -22.159 1.00 0.00 C ATOM 1275 NE ARG A 84 8.955 6.035 -21.570 1.00 0.00 N ATOM 1276 CZ ARG A 84 9.873 5.370 -22.284 1.00 0.00 C ATOM 1277 NH1 ARG A 84 9.761 5.297 -23.617 1.00 0.00 N ATOM 1278 NH2 ARG A 84 10.904 4.779 -21.665 1.00 0.00 N ATOM 0 H ARG A 84 2.927 6.321 -21.693 1.00 0.00 H new ATOM 0 HA ARG A 84 4.849 8.252 -22.297 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.779 6.278 -20.536 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.553 5.353 -21.808 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.617 8.075 -20.950 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.089 6.606 -20.119 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.347 6.102 -22.944 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.094 7.655 -22.625 1.00 0.00 H new ATOM 0 HE ARG A 84 9.071 6.071 -20.557 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.977 5.748 -24.088 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.460 4.791 -24.161 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.990 4.835 -20.650 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.603 4.273 -22.209 1.00 0.00 H new ATOM 1292 N SER A 85 4.526 5.823 -24.463 1.00 0.00 N ATOM 1293 CA SER A 85 4.908 5.359 -25.786 1.00 0.00 C ATOM 1294 C SER A 85 3.835 5.744 -26.806 1.00 0.00 C ATOM 1295 O SER A 85 3.454 4.932 -27.648 1.00 0.00 O ATOM 1296 CB SER A 85 5.130 3.845 -25.795 1.00 0.00 C ATOM 1297 OG SER A 85 6.426 3.493 -25.321 1.00 0.00 O ATOM 0 H SER A 85 3.737 5.327 -24.048 1.00 0.00 H new ATOM 0 HA SER A 85 5.848 5.839 -26.059 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.374 3.364 -25.174 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.999 3.465 -26.808 1.00 0.00 H new ATOM 0 HG SER A 85 6.528 2.519 -25.341 1.00 0.00 H new ATOM 1303 N LYS A 86 3.377 6.983 -26.697 1.00 0.00 N ATOM 1304 CA LYS A 86 2.355 7.486 -27.600 1.00 0.00 C ATOM 1305 C LYS A 86 3.027 8.140 -28.809 1.00 0.00 C ATOM 1306 O LYS A 86 2.546 9.152 -29.317 1.00 0.00 O ATOM 1307 CB LYS A 86 1.391 8.411 -26.855 1.00 0.00 C ATOM 1308 CG LYS A 86 -0.027 8.290 -27.417 1.00 0.00 C ATOM 1309 CD LYS A 86 -1.067 8.720 -26.379 1.00 0.00 C ATOM 1310 CE LYS A 86 -1.780 10.001 -26.815 1.00 0.00 C ATOM 1311 NZ LYS A 86 -2.375 10.687 -25.646 1.00 0.00 N ATOM 0 H LYS A 86 3.695 7.653 -25.997 1.00 0.00 H new ATOM 0 HA LYS A 86 1.744 6.667 -27.980 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.388 8.161 -25.794 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.733 9.443 -26.939 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.122 8.908 -28.310 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.215 7.260 -27.721 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.797 7.923 -26.239 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.581 8.880 -25.417 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.074 10.665 -27.313 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.559 9.762 -27.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.855 11.555 -25.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.064 10.057 -25.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.625 10.932 -24.969 1.00 0.00 H new ATOM 1325 N ILE A 87 4.127 7.537 -29.234 1.00 0.00 N ATOM 1326 CA ILE A 87 4.869 8.049 -30.374 1.00 0.00 C ATOM 1327 C ILE A 87 4.387 7.349 -31.646 1.00 0.00 C ATOM 1328 O ILE A 87 4.427 7.929 -32.730 1.00 0.00 O ATOM 1329 CB ILE A 87 6.375 7.922 -30.134 1.00 0.00 C ATOM 1330 CG1 ILE A 87 7.117 9.159 -30.639 1.00 0.00 C ATOM 1331 CG2 ILE A 87 6.921 6.633 -30.752 1.00 0.00 C ATOM 1332 CD1 ILE A 87 7.022 10.306 -29.631 1.00 0.00 C ATOM 0 H ILE A 87 4.523 6.698 -28.809 1.00 0.00 H new ATOM 0 HA ILE A 87 4.680 9.114 -30.505 1.00 0.00 H new ATOM 0 HB ILE A 87 6.546 7.862 -29.059 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.164 8.912 -30.817 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.697 9.474 -31.594 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.993 6.567 -30.567 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.422 5.774 -30.303 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.737 6.638 -31.826 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.558 11.174 -30.015 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.975 10.567 -29.474 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.464 9.996 -28.684 1.00 0.00 H new ATOM 1344 N ALA A 88 3.943 6.114 -31.472 1.00 0.00 N ATOM 1345 CA ALA A 88 3.454 5.329 -32.593 1.00 0.00 C ATOM 1346 C ALA A 88 2.105 5.888 -33.051 1.00 0.00 C ATOM 1347 O ALA A 88 2.021 6.544 -34.088 1.00 0.00 O ATOM 1348 CB ALA A 88 3.368 3.856 -32.187 1.00 0.00 C ATOM 0 H ALA A 88 3.911 5.637 -30.571 1.00 0.00 H new ATOM 0 HA ALA A 88 4.142 5.394 -33.436 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.001 3.268 -33.028 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.357 3.500 -31.899 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.684 3.750 -31.345 1.00 0.00 H new TER 1354 ALA A 88 HETATM 1355 FE HEM A 95 22.556 12.773 -12.663 1.00 0.00 FE HETATM 1356 CHA HEM A 95 25.905 12.913 -12.914 1.00 0.00 C HETATM 1357 CHB HEM A 95 22.844 11.328 -9.603 1.00 0.00 C HETATM 1358 CHC HEM A 95 19.189 12.661 -12.418 1.00 0.00 C HETATM 1359 CHD HEM A 95 22.251 14.243 -15.728 1.00 0.00 C HETATM 1360 NA HEM A 95 24.094 12.227 -11.510 1.00 0.00 N HETATM 1361 C1A HEM A 95 25.419 12.386 -11.798 1.00 0.00 C HETATM 1362 C2A HEM A 95 26.203 11.857 -10.687 1.00 0.00 C HETATM 1363 C3A HEM A 95 25.337 11.420 -9.758 1.00 0.00 C HETATM 1364 C4A HEM A 95 24.019 11.661 -10.269 1.00 0.00 C HETATM 1365 CMA HEM A 95 25.718 10.754 -8.445 1.00 0.00 C HETATM 1366 CAA HEM A 95 27.638 11.221 -10.750 1.00 0.00 C HETATM 1367 CBA HEM A 95 28.838 11.937 -11.412 1.00 0.00 C HETATM 1368 CGA HEM A 95 29.021 13.368 -10.928 1.00 0.00 C HETATM 1369 O1A HEM A 95 28.705 14.313 -11.695 1.00 0.00 O HETATM 1370 O2A HEM A 95 29.469 13.571 -9.771 1.00 0.00 O HETATM 1371 NB HEM A 95 21.264 12.119 -11.296 1.00 0.00 N HETATM 1372 C1B HEM A 95 21.577 11.550 -10.100 1.00 0.00 C HETATM 1373 C2B HEM A 95 20.366 11.211 -9.371 1.00 0.00 C HETATM 1374 C3B HEM A 95 19.340 11.579 -10.153 1.00 0.00 C HETATM 1375 C4B HEM A 95 19.897 12.175 -11.368 1.00 0.00 C HETATM 1376 CMB HEM A 95 20.242 10.546 -8.010 1.00 0.00 C HETATM 1377 CAB HEM A 95 17.875 11.417 -9.827 1.00 0.00 C HETATM 1378 CBB HEM A 95 17.191 10.425 -9.623 1.00 0.00 C HETATM 1379 NC HEM A 95 21.015 13.353 -13.833 1.00 0.00 N HETATM 1380 C1C HEM A 95 19.687 13.208 -13.552 1.00 0.00 C HETATM 1381 C2C HEM A 95 18.891 13.714 -14.645 1.00 0.00 C HETATM 1382 C3C HEM A 95 19.781 14.192 -15.592 1.00 0.00 C HETATM 1383 C4C HEM A 95 21.093 13.936 -15.083 1.00 0.00 C HETATM 1384 CMC HEM A 95 17.404 13.781 -14.773 1.00 0.00 C HETATM 1385 CAC HEM A 95 19.379 14.820 -16.886 1.00 0.00 C HETATM 1386 CBC HEM A 95 18.474 15.395 -17.135 1.00 0.00 C HETATM 1387 ND HEM A 95 23.847 13.451 -14.043 1.00 0.00 N HETATM 1388 C1D HEM A 95 23.526 14.028 -15.257 1.00 0.00 C HETATM 1389 C2D HEM A 95 24.770 14.373 -15.974 1.00 0.00 C HETATM 1390 C3D HEM A 95 25.754 13.993 -15.175 1.00 0.00 C HETATM 1391 C4D HEM A 95 25.194 13.424 -13.974 1.00 0.00 C HETATM 1392 CMD HEM A 95 24.852 15.027 -17.320 1.00 0.00 C HETATM 1393 CAD HEM A 95 27.340 14.291 -15.208 1.00 0.00 C HETATM 1394 CBD HEM A 95 28.069 13.203 -16.034 1.00 0.00 C HETATM 1395 CGD HEM A 95 29.583 13.406 -16.016 1.00 0.00 C HETATM 1396 O1D HEM A 95 30.411 12.560 -15.679 1.00 0.00 O HETATM 1397 O2D HEM A 95 29.836 14.702 -16.125 1.00 0.00 O HETATM 0 HMA1 HEM A 95 24.941 10.940 -7.704 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 26.663 11.164 -8.090 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 25.824 9.680 -8.599 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 19.332 10.891 -7.518 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 21.106 10.805 -7.398 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 20.199 9.464 -8.136 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 16.953 12.961 -14.213 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 17.125 13.699 -15.824 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 17.047 14.731 -14.376 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 23.982 14.747 -17.914 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 25.759 14.700 -17.829 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 24.875 16.110 -17.198 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 16.130 10.531 -9.399 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 17.642 9.434 -9.665 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 18.338 15.787 -18.143 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 17.714 15.572 -16.374 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 28.700 11.940 -12.493 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 29.748 11.372 -11.209 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 27.531 10.261 -11.255 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 27.930 11.010 -9.721 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 27.710 13.225 -17.063 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 27.828 12.218 -15.633 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 27.735 14.313 -14.192 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 27.524 15.273 -15.643 1.00 0.00 H new HETATM 0 HHA HEM A 95 26.981 12.944 -13.000 1.00 0.00 H new HETATM 0 HHB HEM A 95 22.930 10.864 -8.631 1.00 0.00 H new HETATM 0 HHC HEM A 95 18.113 12.606 -12.341 1.00 0.00 H new HETATM 0 HHD HEM A 95 22.161 14.699 -16.703 1.00 0.00 H new HETATM 0 HAB HEM A 95 17.327 12.357 -9.762 1.00 0.00 H new HETATM 0 HAC HEM A 95 20.086 14.690 -17.705 1.00 0.00 H new