USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 582 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 Single : A 1 ASN : amide:sc= -0.0351 X(o=-0.035,f=-0.032) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -2:sc= -0.124 USER MOD Single : A 12 THR OG1 : rot 1:sc= -1.36! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 109:sc= 1.21 USER MOD Single : A 34 ASN : amide:sc= -3.98! C(o=-4!,f=-6.8!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 39:sc= 0.992 USER MOD Single : A 42 ASN : amide:sc= -1.1 K(o=-1.1,f=-5.4!) USER MOD Single : A 43 HIS : no HD1:sc= -20.3! C(o=-20!,f=-19!) USER MOD Single : A 44 SER OG : rot -80:sc= 0.15! USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.433 K(o=-0.43,f=-1.2) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0894 USER MOD Single : A 65 TYR OH : rot 180:sc= -3.92! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 73:sc= 0.253 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 15.619 7.785 -10.164 1.00 0.00 N ATOM 2 CA ASN A 1 15.238 6.550 -9.420 1.00 0.00 C ATOM 3 C ASN A 1 13.888 6.749 -8.722 1.00 0.00 C ATOM 4 O ASN A 1 13.670 7.748 -8.065 1.00 0.00 O ATOM 5 CB ASN A 1 16.350 6.352 -8.388 1.00 0.00 C ATOM 6 CG ASN A 1 16.037 5.126 -7.529 1.00 0.00 C ATOM 7 OD1 ASN A 1 16.344 4.011 -7.903 1.00 0.00 O ATOM 8 ND2 ASN A 1 15.433 5.285 -6.383 1.00 0.00 N ATOM 0 H1 ASN A 1 16.536 7.639 -10.633 1.00 0.00 H new ATOM 0 H2 ASN A 1 14.894 7.997 -10.879 1.00 0.00 H new ATOM 0 H3 ASN A 1 15.693 8.582 -9.499 1.00 0.00 H new ATOM 0 HA ASN A 1 15.132 5.687 -10.077 1.00 0.00 H new ATOM 0 HB2 ASN A 1 17.308 6.222 -8.891 1.00 0.00 H new ATOM 0 HB3 ASN A 1 16.438 7.237 -7.758 1.00 0.00 H new ATOM 0 HD21 ASN A 1 15.219 4.474 -5.802 1.00 0.00 H new ATOM 0 HD22 ASN A 1 15.175 6.220 -6.068 1.00 0.00 H new ATOM 17 N PRO A 2 13.024 5.784 -8.889 1.00 0.00 N ATOM 18 CA PRO A 2 11.678 5.850 -8.269 1.00 0.00 C ATOM 19 C PRO A 2 11.775 5.617 -6.758 1.00 0.00 C ATOM 20 O PRO A 2 11.766 4.495 -6.293 1.00 0.00 O ATOM 21 CB PRO A 2 10.915 4.715 -8.946 1.00 0.00 C ATOM 22 CG PRO A 2 11.969 3.751 -9.391 1.00 0.00 C ATOM 23 CD PRO A 2 13.215 4.553 -9.665 1.00 0.00 C ATOM 0 HA PRO A 2 11.194 6.818 -8.397 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.215 4.244 -8.256 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.332 5.080 -9.791 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.155 3.001 -8.622 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.650 3.217 -10.286 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.111 4.018 -9.350 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.327 4.765 -10.728 1.00 0.00 H new ATOM 31 N LEU A 3 11.870 6.668 -5.991 1.00 0.00 N ATOM 32 CA LEU A 3 11.969 6.503 -4.512 1.00 0.00 C ATOM 33 C LEU A 3 10.829 5.621 -3.997 1.00 0.00 C ATOM 34 O LEU A 3 9.701 5.726 -4.439 1.00 0.00 O ATOM 35 CB LEU A 3 11.849 7.919 -3.947 1.00 0.00 C ATOM 36 CG LEU A 3 12.870 8.109 -2.822 1.00 0.00 C ATOM 37 CD1 LEU A 3 12.795 9.545 -2.303 1.00 0.00 C ATOM 38 CD2 LEU A 3 12.556 7.137 -1.682 1.00 0.00 C ATOM 0 H LEU A 3 11.883 7.632 -6.323 1.00 0.00 H new ATOM 0 HA LEU A 3 12.900 6.021 -4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.020 8.652 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.840 8.087 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 3 13.872 7.913 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.522 9.681 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 3 13.016 10.237 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.793 9.742 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.282 7.270 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.554 7.334 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.608 6.113 -2.052 1.00 0.00 H new ATOM 50 N ILE A 4 11.113 4.750 -3.067 1.00 0.00 N ATOM 51 CA ILE A 4 10.046 3.862 -2.525 1.00 0.00 C ATOM 52 C ILE A 4 8.902 4.703 -1.953 1.00 0.00 C ATOM 53 O ILE A 4 9.120 5.770 -1.416 1.00 0.00 O ATOM 54 CB ILE A 4 10.732 3.049 -1.415 1.00 0.00 C ATOM 55 CG1 ILE A 4 11.287 1.753 -2.010 1.00 0.00 C ATOM 56 CG2 ILE A 4 9.730 2.708 -0.302 1.00 0.00 C ATOM 57 CD1 ILE A 4 10.128 0.833 -2.400 1.00 0.00 C ATOM 0 H ILE A 4 12.038 4.615 -2.659 1.00 0.00 H new ATOM 0 HA ILE A 4 9.612 3.218 -3.290 1.00 0.00 H new ATOM 0 HB ILE A 4 11.541 3.643 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 4 11.899 1.975 -2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 4 11.933 1.255 -1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.232 2.132 0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.335 3.629 0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 4 8.911 2.120 -0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.523 -0.090 -2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.534 0.601 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.500 1.332 -3.138 1.00 0.00 H new ATOM 69 N PRO A 5 7.716 4.173 -2.069 1.00 0.00 N ATOM 70 CA PRO A 5 6.526 4.865 -1.536 1.00 0.00 C ATOM 71 C PRO A 5 6.473 4.714 -0.016 1.00 0.00 C ATOM 72 O PRO A 5 7.145 3.884 0.563 1.00 0.00 O ATOM 73 CB PRO A 5 5.359 4.137 -2.191 1.00 0.00 C ATOM 74 CG PRO A 5 5.884 2.776 -2.525 1.00 0.00 C ATOM 75 CD PRO A 5 7.377 2.896 -2.708 1.00 0.00 C ATOM 0 HA PRO A 5 6.520 5.935 -1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.505 4.075 -1.517 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.021 4.659 -3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.651 2.070 -1.728 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.416 2.397 -3.434 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.904 2.064 -2.240 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.650 2.894 -3.763 1.00 0.00 H new ATOM 83 N ALA A 6 5.679 5.512 0.630 1.00 0.00 N ATOM 84 CA ALA A 6 5.573 5.428 2.111 1.00 0.00 C ATOM 85 C ALA A 6 4.641 4.283 2.515 1.00 0.00 C ATOM 86 O ALA A 6 4.688 3.794 3.626 1.00 0.00 O ATOM 87 CB ALA A 6 4.990 6.773 2.544 1.00 0.00 C ATOM 0 H ALA A 6 5.094 6.225 0.195 1.00 0.00 H new ATOM 0 HA ALA A 6 6.536 5.231 2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.881 6.790 3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.659 7.576 2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.014 6.913 2.079 1.00 0.00 H new ATOM 93 N ILE A 7 3.789 3.856 1.624 1.00 0.00 N ATOM 94 CA ILE A 7 2.850 2.748 1.963 1.00 0.00 C ATOM 95 C ILE A 7 3.613 1.526 2.490 1.00 0.00 C ATOM 96 O ILE A 7 3.355 1.048 3.576 1.00 0.00 O ATOM 97 CB ILE A 7 2.113 2.415 0.657 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.471 1.029 0.771 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.085 2.423 -0.530 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.706 0.926 2.093 1.00 0.00 C ATOM 0 H ILE A 7 3.702 4.225 0.677 1.00 0.00 H new ATOM 0 HA ILE A 7 2.155 3.038 2.751 1.00 0.00 H new ATOM 0 HB ILE A 7 1.345 3.170 0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.794 0.860 -0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.238 0.256 0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.543 2.185 -1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.538 3.410 -0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.865 1.680 -0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.249 -0.061 2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.395 1.076 2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.072 1.689 2.124 1.00 0.00 H new ATOM 112 N TYR A 8 4.541 1.014 1.734 1.00 0.00 N ATOM 113 CA TYR A 8 5.305 -0.177 2.201 1.00 0.00 C ATOM 114 C TYR A 8 5.780 0.037 3.636 1.00 0.00 C ATOM 115 O TYR A 8 5.988 -0.902 4.378 1.00 0.00 O ATOM 116 CB TYR A 8 6.491 -0.288 1.244 1.00 0.00 C ATOM 117 CG TYR A 8 5.982 -0.501 -0.161 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.817 -1.249 -0.380 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.670 0.053 -1.245 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.343 -1.442 -1.682 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.195 -0.138 -2.548 1.00 0.00 C ATOM 122 CZ TYR A 8 5.032 -0.886 -2.766 1.00 0.00 C ATOM 123 OH TYR A 8 4.564 -1.075 -4.050 1.00 0.00 O ATOM 0 H TYR A 8 4.804 1.367 0.814 1.00 0.00 H new ATOM 0 HA TYR A 8 4.703 -1.086 2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.096 0.618 1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.135 -1.117 1.539 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.285 -1.677 0.457 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.568 0.629 -1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.446 -2.020 -1.851 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.726 0.292 -3.385 1.00 0.00 H new ATOM 0 HH TYR A 8 3.768 -1.646 -4.027 1.00 0.00 H new ATOM 133 N ILE A 9 5.941 1.264 4.039 1.00 0.00 N ATOM 134 CA ILE A 9 6.389 1.526 5.434 1.00 0.00 C ATOM 135 C ILE A 9 5.275 1.147 6.408 1.00 0.00 C ATOM 136 O ILE A 9 4.153 1.598 6.290 1.00 0.00 O ATOM 137 CB ILE A 9 6.676 3.027 5.493 1.00 0.00 C ATOM 138 CG1 ILE A 9 7.590 3.417 4.328 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.366 3.362 6.817 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.119 4.836 4.544 1.00 0.00 C ATOM 0 H ILE A 9 5.783 2.094 3.467 1.00 0.00 H new ATOM 0 HA ILE A 9 7.269 0.944 5.707 1.00 0.00 H new ATOM 0 HB ILE A 9 5.739 3.580 5.421 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.421 2.716 4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.041 3.362 3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.571 4.432 6.860 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.716 3.083 7.647 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.303 2.810 6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.769 5.112 3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.282 5.532 4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.683 4.876 5.476 1.00 0.00 H new ATOM 152 N GLY A 10 5.570 0.308 7.360 1.00 0.00 N ATOM 153 CA GLY A 10 4.520 -0.112 8.324 1.00 0.00 C ATOM 154 C GLY A 10 3.400 -0.789 7.541 1.00 0.00 C ATOM 155 O GLY A 10 2.242 -0.722 7.901 1.00 0.00 O ATOM 0 H GLY A 10 6.491 -0.104 7.511 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.935 -0.797 9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.136 0.751 8.868 1.00 0.00 H new ATOM 159 N ALA A 11 3.741 -1.437 6.459 1.00 0.00 N ATOM 160 CA ALA A 11 2.694 -2.113 5.634 1.00 0.00 C ATOM 161 C ALA A 11 2.944 -3.621 5.570 1.00 0.00 C ATOM 162 O ALA A 11 3.652 -4.179 6.385 1.00 0.00 O ATOM 163 CB ALA A 11 2.819 -1.492 4.244 1.00 0.00 C ATOM 0 H ALA A 11 4.695 -1.528 6.111 1.00 0.00 H new ATOM 0 HA ALA A 11 1.698 -1.979 6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.080 -1.939 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.647 -0.418 4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.819 -1.676 3.852 1.00 0.00 H new ATOM 169 N THR A 12 2.366 -4.286 4.605 1.00 0.00 N ATOM 170 CA THR A 12 2.570 -5.761 4.493 1.00 0.00 C ATOM 171 C THR A 12 2.330 -6.218 3.056 1.00 0.00 C ATOM 172 O THR A 12 1.208 -6.314 2.615 1.00 0.00 O ATOM 173 CB THR A 12 1.525 -6.380 5.422 1.00 0.00 C ATOM 174 OG1 THR A 12 1.929 -6.210 6.773 1.00 0.00 O ATOM 175 CG2 THR A 12 1.382 -7.872 5.111 1.00 0.00 C ATOM 0 H THR A 12 1.764 -3.874 3.892 1.00 0.00 H new ATOM 0 HA THR A 12 3.585 -6.056 4.761 1.00 0.00 H new ATOM 0 HB THR A 12 0.566 -5.886 5.268 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.776 -5.719 6.802 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.637 -8.312 5.774 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.067 -7.999 4.075 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.340 -8.369 5.262 1.00 0.00 H new ATOM 183 N VAL A 13 3.367 -6.503 2.322 1.00 0.00 N ATOM 184 CA VAL A 13 3.173 -6.953 0.914 1.00 0.00 C ATOM 185 C VAL A 13 3.268 -8.479 0.830 1.00 0.00 C ATOM 186 O VAL A 13 3.668 -9.139 1.770 1.00 0.00 O ATOM 187 CB VAL A 13 4.312 -6.300 0.126 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.433 -4.828 0.525 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.627 -7.018 0.441 1.00 0.00 C ATOM 0 H VAL A 13 4.337 -6.445 2.632 1.00 0.00 H new ATOM 0 HA VAL A 13 2.195 -6.673 0.522 1.00 0.00 H new ATOM 0 HB VAL A 13 4.101 -6.373 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.244 -4.364 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.498 -4.313 0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.643 -4.756 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.438 -6.554 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.835 -6.945 1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.545 -8.068 0.159 1.00 0.00 H new ATOM 199 N GLY A 14 2.907 -9.046 -0.288 1.00 0.00 N ATOM 200 CA GLY A 14 2.981 -10.527 -0.428 1.00 0.00 C ATOM 201 C GLY A 14 4.432 -10.943 -0.670 1.00 0.00 C ATOM 202 O GLY A 14 5.345 -10.175 -0.438 1.00 0.00 O ATOM 0 H GLY A 14 2.564 -8.548 -1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.599 -11.008 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.354 -10.857 -1.256 1.00 0.00 H new ATOM 206 N PRO A 15 4.594 -12.151 -1.130 1.00 0.00 N ATOM 207 CA PRO A 15 5.950 -12.685 -1.412 1.00 0.00 C ATOM 208 C PRO A 15 6.518 -12.047 -2.683 1.00 0.00 C ATOM 209 O PRO A 15 7.657 -11.624 -2.722 1.00 0.00 O ATOM 210 CB PRO A 15 5.710 -14.178 -1.616 1.00 0.00 C ATOM 211 CG PRO A 15 4.281 -14.287 -2.046 1.00 0.00 C ATOM 212 CD PRO A 15 3.542 -13.127 -1.429 1.00 0.00 C ATOM 0 HA PRO A 15 6.668 -12.478 -0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.381 -14.586 -2.372 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.889 -14.735 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.203 -14.259 -3.133 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.852 -15.234 -1.720 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.801 -12.717 -2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.010 -13.428 -0.527 1.00 0.00 H new ATOM 220 N SER A 16 5.733 -11.977 -3.722 1.00 0.00 N ATOM 221 CA SER A 16 6.226 -11.368 -4.992 1.00 0.00 C ATOM 222 C SER A 16 6.521 -9.880 -4.785 1.00 0.00 C ATOM 223 O SER A 16 7.595 -9.404 -5.094 1.00 0.00 O ATOM 224 CB SER A 16 5.082 -11.554 -5.988 1.00 0.00 C ATOM 225 OG SER A 16 5.460 -12.519 -6.961 1.00 0.00 O ATOM 0 H SER A 16 4.771 -12.315 -3.748 1.00 0.00 H new ATOM 0 HA SER A 16 7.150 -11.829 -5.341 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.181 -11.878 -5.468 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.847 -10.606 -6.471 1.00 0.00 H new ATOM 0 HG SER A 16 4.728 -12.642 -7.601 1.00 0.00 H new ATOM 231 N VAL A 17 5.578 -9.144 -4.266 1.00 0.00 N ATOM 232 CA VAL A 17 5.810 -7.688 -4.042 1.00 0.00 C ATOM 233 C VAL A 17 7.027 -7.483 -3.139 1.00 0.00 C ATOM 234 O VAL A 17 7.840 -6.612 -3.369 1.00 0.00 O ATOM 235 CB VAL A 17 4.539 -7.182 -3.360 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.662 -5.678 -3.104 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.335 -7.446 -4.267 1.00 0.00 C ATOM 0 H VAL A 17 4.658 -9.486 -3.987 1.00 0.00 H new ATOM 0 HA VAL A 17 6.010 -7.153 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 17 4.403 -7.703 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.756 -5.316 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.520 -5.488 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.797 -5.157 -4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.428 -7.086 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.472 -6.924 -5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.247 -8.517 -4.452 1.00 0.00 H new ATOM 247 N TRP A 18 7.166 -8.283 -2.118 1.00 0.00 N ATOM 248 CA TRP A 18 8.340 -8.130 -1.214 1.00 0.00 C ATOM 249 C TRP A 18 9.629 -8.176 -2.034 1.00 0.00 C ATOM 250 O TRP A 18 10.344 -7.199 -2.148 1.00 0.00 O ATOM 251 CB TRP A 18 8.272 -9.328 -0.268 1.00 0.00 C ATOM 252 CG TRP A 18 9.505 -9.369 0.575 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.646 -10.023 0.253 1.00 0.00 C ATOM 254 CD2 TRP A 18 9.744 -8.745 1.869 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.568 -9.839 1.266 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.060 -9.058 2.286 1.00 0.00 C ATOM 257 CE3 TRP A 18 8.954 -7.945 2.713 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.572 -8.595 3.497 1.00 0.00 C ATOM 259 CZ3 TRP A 18 9.467 -7.477 3.933 1.00 0.00 C ATOM 260 CH2 TRP A 18 10.774 -7.801 4.325 1.00 0.00 C ATOM 0 H TRP A 18 6.520 -9.033 -1.871 1.00 0.00 H new ATOM 0 HA TRP A 18 8.329 -7.184 -0.673 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.388 -9.255 0.365 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.179 -10.251 -0.840 1.00 0.00 H new ATOM 0 HD1 TRP A 18 10.809 -10.595 -0.648 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.509 -10.232 1.261 1.00 0.00 H new ATOM 0 HE3 TRP A 18 7.946 -7.689 2.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.579 -8.848 3.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 8.851 -6.863 4.574 1.00 0.00 H new ATOM 0 HH2 TRP A 18 11.163 -7.438 5.265 1.00 0.00 H new ATOM 271 N ALA A 19 9.925 -9.308 -2.606 1.00 0.00 N ATOM 272 CA ALA A 19 11.165 -9.433 -3.426 1.00 0.00 C ATOM 273 C ALA A 19 11.323 -8.215 -4.341 1.00 0.00 C ATOM 274 O ALA A 19 12.421 -7.773 -4.616 1.00 0.00 O ATOM 275 CB ALA A 19 10.965 -10.704 -4.252 1.00 0.00 C ATOM 0 H ALA A 19 9.361 -10.156 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 19 12.063 -9.483 -2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.837 -10.868 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.837 -11.556 -3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.078 -10.596 -4.877 1.00 0.00 H new ATOM 281 N TYR A 20 10.236 -7.670 -4.813 1.00 0.00 N ATOM 282 CA TYR A 20 10.330 -6.481 -5.710 1.00 0.00 C ATOM 283 C TYR A 20 10.910 -5.289 -4.945 1.00 0.00 C ATOM 284 O TYR A 20 11.993 -4.820 -5.235 1.00 0.00 O ATOM 285 CB TYR A 20 8.891 -6.194 -6.139 1.00 0.00 C ATOM 286 CG TYR A 20 8.881 -5.087 -7.167 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.211 -5.365 -8.498 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.540 -3.784 -6.787 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.201 -4.339 -9.450 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.528 -2.758 -7.739 1.00 0.00 C ATOM 291 CZ TYR A 20 8.859 -3.035 -9.072 1.00 0.00 C ATOM 292 OH TYR A 20 8.846 -2.025 -10.011 1.00 0.00 O ATOM 0 H TYR A 20 9.289 -7.994 -4.618 1.00 0.00 H new ATOM 0 HA TYR A 20 10.982 -6.658 -6.565 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.438 -7.094 -6.554 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.293 -5.906 -5.274 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.473 -6.371 -8.791 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.286 -3.570 -5.759 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.457 -4.553 -10.477 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.264 -1.753 -7.446 1.00 0.00 H new ATOM 0 HH TYR A 20 8.586 -1.183 -9.582 1.00 0.00 H new ATOM 302 N LEU A 21 10.200 -4.799 -3.967 1.00 0.00 N ATOM 303 CA LEU A 21 10.712 -3.643 -3.180 1.00 0.00 C ATOM 304 C LEU A 21 12.186 -3.865 -2.835 1.00 0.00 C ATOM 305 O LEU A 21 12.975 -2.942 -2.811 1.00 0.00 O ATOM 306 CB LEU A 21 9.856 -3.622 -1.913 1.00 0.00 C ATOM 307 CG LEU A 21 9.899 -2.227 -1.286 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.154 -2.246 0.050 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.355 -1.816 -1.051 1.00 0.00 C ATOM 0 H LEU A 21 9.287 -5.150 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 21 10.650 -2.701 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.828 -3.892 -2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.223 -4.362 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 21 9.424 -1.513 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.184 -1.253 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.117 -2.538 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.629 -2.961 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.385 -0.822 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.831 -2.530 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.887 -1.803 -2.002 1.00 0.00 H new ATOM 321 N VAL A 22 12.564 -5.087 -2.577 1.00 0.00 N ATOM 322 CA VAL A 22 13.988 -5.372 -2.242 1.00 0.00 C ATOM 323 C VAL A 22 14.887 -4.974 -3.411 1.00 0.00 C ATOM 324 O VAL A 22 15.886 -4.301 -3.243 1.00 0.00 O ATOM 325 CB VAL A 22 14.049 -6.883 -2.012 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.427 -7.261 -1.469 1.00 0.00 C ATOM 327 CG2 VAL A 22 12.975 -7.289 -1.000 1.00 0.00 C ATOM 0 H VAL A 22 11.948 -5.900 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 22 14.328 -4.815 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 22 13.875 -7.401 -2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.471 -8.338 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.193 -6.972 -2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.601 -6.743 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.018 -8.366 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.149 -6.771 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.992 -7.020 -1.385 1.00 0.00 H new ATOM 337 N ALA A 23 14.535 -5.384 -4.596 1.00 0.00 N ATOM 338 CA ALA A 23 15.361 -5.032 -5.785 1.00 0.00 C ATOM 339 C ALA A 23 15.530 -3.513 -5.873 1.00 0.00 C ATOM 340 O ALA A 23 16.600 -3.012 -6.155 1.00 0.00 O ATOM 341 CB ALA A 23 14.568 -5.555 -6.984 1.00 0.00 C ATOM 0 H ALA A 23 13.709 -5.949 -4.794 1.00 0.00 H new ATOM 0 HA ALA A 23 16.361 -5.462 -5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.111 -5.335 -7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.435 -6.633 -6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.592 -5.071 -7.014 1.00 0.00 H new ATOM 347 N LEU A 24 14.481 -2.776 -5.631 1.00 0.00 N ATOM 348 CA LEU A 24 14.580 -1.291 -5.697 1.00 0.00 C ATOM 349 C LEU A 24 15.600 -0.786 -4.673 1.00 0.00 C ATOM 350 O LEU A 24 16.404 0.079 -4.957 1.00 0.00 O ATOM 351 CB LEU A 24 13.180 -0.785 -5.351 1.00 0.00 C ATOM 352 CG LEU A 24 12.958 0.580 -6.001 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.162 0.466 -7.513 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.531 1.053 -5.712 1.00 0.00 C ATOM 0 H LEU A 24 13.559 -3.139 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 24 14.909 -0.941 -6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.429 -1.493 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.066 -0.708 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 24 13.670 1.298 -5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.003 1.440 -7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.177 0.127 -7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.451 -0.251 -7.923 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.370 2.027 -6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.820 0.335 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.386 1.135 -4.635 1.00 0.00 H new ATOM 366 N VAL A 25 15.571 -1.325 -3.485 1.00 0.00 N ATOM 367 CA VAL A 25 16.539 -0.880 -2.440 1.00 0.00 C ATOM 368 C VAL A 25 17.374 -2.073 -1.949 1.00 0.00 C ATOM 369 O VAL A 25 18.435 -2.351 -2.470 1.00 0.00 O ATOM 370 CB VAL A 25 15.680 -0.287 -1.307 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.375 -1.076 -1.153 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.455 -0.329 0.012 1.00 0.00 C ATOM 0 H VAL A 25 14.920 -2.054 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 25 17.247 -0.143 -2.819 1.00 0.00 H new ATOM 0 HB VAL A 25 15.443 0.746 -1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.781 -0.643 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 25 13.811 -1.032 -2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.604 -2.115 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.841 0.092 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 25 16.705 -1.362 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.371 0.253 -0.086 1.00 0.00 H new ATOM 382 N GLY A 26 16.908 -2.779 -0.952 1.00 0.00 N ATOM 383 CA GLY A 26 17.681 -3.943 -0.440 1.00 0.00 C ATOM 384 C GLY A 26 16.972 -4.521 0.787 1.00 0.00 C ATOM 385 O GLY A 26 16.096 -3.903 1.356 1.00 0.00 O ATOM 0 H GLY A 26 16.026 -2.598 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.770 -4.704 -1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.693 -3.635 -0.178 1.00 0.00 H new ATOM 389 N ALA A 27 17.342 -5.703 1.196 1.00 0.00 N ATOM 390 CA ALA A 27 16.685 -6.320 2.381 1.00 0.00 C ATOM 391 C ALA A 27 16.907 -5.457 3.627 1.00 0.00 C ATOM 392 O ALA A 27 16.194 -5.570 4.604 1.00 0.00 O ATOM 393 CB ALA A 27 17.359 -7.683 2.543 1.00 0.00 C ATOM 0 H ALA A 27 18.071 -6.268 0.760 1.00 0.00 H new ATOM 0 HA ALA A 27 15.607 -6.411 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.928 -8.202 3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.202 -8.276 1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.428 -7.543 2.703 1.00 0.00 H new ATOM 399 N ALA A 28 17.887 -4.596 3.602 1.00 0.00 N ATOM 400 CA ALA A 28 18.145 -3.734 4.786 1.00 0.00 C ATOM 401 C ALA A 28 17.056 -2.668 4.900 1.00 0.00 C ATOM 402 O ALA A 28 16.305 -2.635 5.854 1.00 0.00 O ATOM 403 CB ALA A 28 19.506 -3.089 4.524 1.00 0.00 C ATOM 0 H ALA A 28 18.518 -4.453 2.814 1.00 0.00 H new ATOM 0 HA ALA A 28 18.141 -4.298 5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.766 -2.436 5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.263 -3.866 4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.461 -2.504 3.605 1.00 0.00 H new ATOM 409 N ALA A 29 16.957 -1.802 3.931 1.00 0.00 N ATOM 410 CA ALA A 29 15.904 -0.751 3.988 1.00 0.00 C ATOM 411 C ALA A 29 14.528 -1.413 3.956 1.00 0.00 C ATOM 412 O ALA A 29 13.535 -0.829 4.344 1.00 0.00 O ATOM 413 CB ALA A 29 16.118 0.106 2.741 1.00 0.00 C ATOM 0 H ALA A 29 17.556 -1.776 3.106 1.00 0.00 H new ATOM 0 HA ALA A 29 15.960 -0.151 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.376 0.904 2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.117 0.541 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.014 -0.514 1.851 1.00 0.00 H new ATOM 419 N VAL A 30 14.465 -2.635 3.500 1.00 0.00 N ATOM 420 CA VAL A 30 13.158 -3.342 3.446 1.00 0.00 C ATOM 421 C VAL A 30 12.754 -3.796 4.851 1.00 0.00 C ATOM 422 O VAL A 30 11.588 -3.853 5.184 1.00 0.00 O ATOM 423 CB VAL A 30 13.394 -4.548 2.537 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.234 -5.535 2.685 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.482 -4.081 1.083 1.00 0.00 C ATOM 0 H VAL A 30 15.264 -3.172 3.163 1.00 0.00 H new ATOM 0 HA VAL A 30 12.356 -2.706 3.071 1.00 0.00 H new ATOM 0 HB VAL A 30 14.326 -5.038 2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.403 -6.395 2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.170 -5.869 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.302 -5.046 2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.650 -4.941 0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.550 -3.591 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.308 -3.378 0.976 1.00 0.00 H new ATOM 435 N THR A 31 13.713 -4.117 5.680 1.00 0.00 N ATOM 436 CA THR A 31 13.383 -4.564 7.064 1.00 0.00 C ATOM 437 C THR A 31 13.314 -3.358 8.004 1.00 0.00 C ATOM 438 O THR A 31 12.677 -3.399 9.038 1.00 0.00 O ATOM 439 CB THR A 31 14.531 -5.493 7.465 1.00 0.00 C ATOM 440 OG1 THR A 31 14.715 -6.477 6.456 1.00 0.00 O ATOM 441 CG2 THR A 31 14.198 -6.177 8.792 1.00 0.00 C ATOM 0 H THR A 31 14.708 -4.089 5.458 1.00 0.00 H new ATOM 0 HA THR A 31 12.417 -5.065 7.118 1.00 0.00 H new ATOM 0 HB THR A 31 15.446 -4.912 7.579 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.552 -6.303 5.978 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.017 -6.838 9.076 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.057 -5.422 9.565 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.283 -6.759 8.682 1.00 0.00 H new ATOM 449 N ALA A 32 13.965 -2.283 7.652 1.00 0.00 N ATOM 450 CA ALA A 32 13.936 -1.073 8.524 1.00 0.00 C ATOM 451 C ALA A 32 12.671 -0.258 8.248 1.00 0.00 C ATOM 452 O ALA A 32 12.200 0.481 9.089 1.00 0.00 O ATOM 453 CB ALA A 32 15.182 -0.276 8.135 1.00 0.00 C ATOM 0 H ALA A 32 14.516 -2.190 6.799 1.00 0.00 H new ATOM 0 HA ALA A 32 13.928 -1.325 9.584 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.234 0.633 8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.071 -0.880 8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.130 -0.012 7.079 1.00 0.00 H new ATOM 459 N ALA A 33 12.116 -0.388 7.073 1.00 0.00 N ATOM 460 CA ALA A 33 10.882 0.379 6.741 1.00 0.00 C ATOM 461 C ALA A 33 9.649 -0.321 7.319 1.00 0.00 C ATOM 462 O ALA A 33 8.529 0.051 7.043 1.00 0.00 O ATOM 463 CB ALA A 33 10.827 0.391 5.213 1.00 0.00 C ATOM 0 H ALA A 33 12.464 -0.992 6.329 1.00 0.00 H new ATOM 0 HA ALA A 33 10.896 1.386 7.158 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.944 0.939 4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.721 0.876 4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.777 -0.633 4.843 1.00 0.00 H new ATOM 469 N ASN A 34 9.849 -1.330 8.121 1.00 0.00 N ATOM 470 CA ASN A 34 8.688 -2.054 8.720 1.00 0.00 C ATOM 471 C ASN A 34 7.788 -2.635 7.620 1.00 0.00 C ATOM 472 O ASN A 34 6.707 -2.139 7.349 1.00 0.00 O ATOM 473 CB ASN A 34 7.941 -1.001 9.540 1.00 0.00 C ATOM 474 CG ASN A 34 6.752 -1.653 10.247 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.500 -2.830 10.079 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.003 -0.932 11.038 1.00 0.00 N ATOM 0 H ASN A 34 10.766 -1.686 8.389 1.00 0.00 H new ATOM 0 HA ASN A 34 9.003 -2.896 9.336 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.612 -0.552 10.273 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.595 -0.197 8.890 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.207 -1.357 11.514 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.214 0.056 11.180 1.00 0.00 H new ATOM 483 N ILE A 35 8.227 -3.694 6.994 1.00 0.00 N ATOM 484 CA ILE A 35 7.408 -4.328 5.922 1.00 0.00 C ATOM 485 C ILE A 35 7.201 -5.810 6.248 1.00 0.00 C ATOM 486 O ILE A 35 8.140 -6.531 6.521 1.00 0.00 O ATOM 487 CB ILE A 35 8.229 -4.167 4.641 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.226 -2.696 4.218 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.615 -5.015 3.523 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.339 -2.456 3.197 1.00 0.00 C ATOM 0 H ILE A 35 9.121 -4.148 7.180 1.00 0.00 H new ATOM 0 HA ILE A 35 6.422 -3.875 5.824 1.00 0.00 H new ATOM 0 HB ILE A 35 9.252 -4.496 4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.260 -2.433 3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.372 -2.056 5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.203 -4.897 2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.613 -6.064 3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.592 -4.688 3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.337 -1.408 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.302 -2.703 3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.173 -3.085 2.323 1.00 0.00 H new ATOM 502 N ARG A 36 5.981 -6.269 6.231 1.00 0.00 N ATOM 503 CA ARG A 36 5.725 -7.701 6.549 1.00 0.00 C ATOM 504 C ARG A 36 5.289 -8.457 5.292 1.00 0.00 C ATOM 505 O ARG A 36 4.625 -7.918 4.428 1.00 0.00 O ATOM 506 CB ARG A 36 4.601 -7.683 7.584 1.00 0.00 C ATOM 507 CG ARG A 36 5.086 -6.982 8.854 1.00 0.00 C ATOM 508 CD ARG A 36 5.445 -8.030 9.911 1.00 0.00 C ATOM 509 NE ARG A 36 5.310 -7.320 11.214 1.00 0.00 N ATOM 510 CZ ARG A 36 6.191 -7.513 12.157 1.00 0.00 C ATOM 511 NH1 ARG A 36 7.462 -7.571 11.862 1.00 0.00 N ATOM 512 NH2 ARG A 36 5.802 -7.648 13.395 1.00 0.00 N ATOM 0 H ARG A 36 5.152 -5.716 6.011 1.00 0.00 H new ATOM 0 HA ARG A 36 6.616 -8.204 6.925 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.730 -7.166 7.181 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.289 -8.702 7.815 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.955 -6.363 8.631 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.310 -6.318 9.234 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.777 -8.890 9.858 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.459 -8.405 9.768 1.00 0.00 H new ATOM 0 HE ARG A 36 4.529 -6.683 11.369 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.766 -7.465 10.894 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.150 -7.722 12.599 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.809 -7.603 13.626 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.490 -7.799 14.132 1.00 0.00 H new ATOM 526 N ARG A 37 5.658 -9.704 5.185 1.00 0.00 N ATOM 527 CA ARG A 37 5.265 -10.501 3.990 1.00 0.00 C ATOM 528 C ARG A 37 3.960 -11.249 4.267 1.00 0.00 C ATOM 529 O ARG A 37 3.675 -11.625 5.386 1.00 0.00 O ATOM 530 CB ARG A 37 6.415 -11.487 3.781 1.00 0.00 C ATOM 531 CG ARG A 37 7.397 -10.921 2.752 1.00 0.00 C ATOM 532 CD ARG A 37 8.831 -11.160 3.230 1.00 0.00 C ATOM 533 NE ARG A 37 8.855 -12.579 3.682 1.00 0.00 N ATOM 534 CZ ARG A 37 9.818 -13.001 4.455 1.00 0.00 C ATOM 535 NH1 ARG A 37 10.284 -12.227 5.398 1.00 0.00 N ATOM 536 NH2 ARG A 37 10.316 -14.196 4.286 1.00 0.00 N ATOM 0 H ARG A 37 6.216 -10.206 5.876 1.00 0.00 H new ATOM 0 HA ARG A 37 5.096 -9.879 3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.927 -11.669 4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.027 -12.446 3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.241 -11.397 1.784 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.221 -9.854 2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.548 -10.989 2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.094 -10.483 4.042 1.00 0.00 H new ATOM 0 HE ARG A 37 8.119 -13.221 3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.895 -11.293 5.530 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.037 -12.556 6.003 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.952 -14.801 3.549 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.069 -14.525 4.891 1.00 0.00 H new ATOM 550 N ALA A 38 3.161 -11.467 3.259 1.00 0.00 N ATOM 551 CA ALA A 38 1.875 -12.189 3.471 1.00 0.00 C ATOM 552 C ALA A 38 1.797 -13.416 2.558 1.00 0.00 C ATOM 553 O ALA A 38 2.649 -13.632 1.719 1.00 0.00 O ATOM 554 CB ALA A 38 0.790 -11.176 3.108 1.00 0.00 C ATOM 0 H ALA A 38 3.343 -11.177 2.298 1.00 0.00 H new ATOM 0 HA ALA A 38 1.768 -12.552 4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.192 -11.632 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.874 -10.304 3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.912 -10.868 2.070 1.00 0.00 H new ATOM 560 N SER A 39 0.783 -14.222 2.719 1.00 0.00 N ATOM 561 CA SER A 39 0.652 -15.435 1.862 1.00 0.00 C ATOM 562 C SER A 39 0.776 -15.058 0.385 1.00 0.00 C ATOM 563 O SER A 39 1.343 -15.785 -0.407 1.00 0.00 O ATOM 564 CB SER A 39 -0.741 -15.984 2.161 1.00 0.00 C ATOM 565 OG SER A 39 -0.927 -17.203 1.454 1.00 0.00 O ATOM 0 H SER A 39 0.040 -14.093 3.406 1.00 0.00 H new ATOM 0 HA SER A 39 1.431 -16.169 2.067 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.857 -16.150 3.232 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.501 -15.260 1.867 1.00 0.00 H new ATOM 0 HG SER A 39 -1.820 -17.559 1.645 1.00 0.00 H new ATOM 571 N SER A 40 0.250 -13.927 0.009 1.00 0.00 N ATOM 572 CA SER A 40 0.337 -13.504 -1.418 1.00 0.00 C ATOM 573 C SER A 40 0.089 -11.998 -1.543 1.00 0.00 C ATOM 574 O SER A 40 0.168 -11.264 -0.579 1.00 0.00 O ATOM 575 CB SER A 40 -0.763 -14.288 -2.133 1.00 0.00 C ATOM 576 OG SER A 40 -0.219 -15.498 -2.646 1.00 0.00 O ATOM 0 H SER A 40 -0.236 -13.277 0.626 1.00 0.00 H new ATOM 0 HA SER A 40 1.321 -13.699 -1.845 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.578 -14.506 -1.443 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.183 -13.692 -2.943 1.00 0.00 H new ATOM 0 HG SER A 40 0.417 -15.871 -2.000 1.00 0.00 H new ATOM 582 N ASP A 41 -0.207 -11.536 -2.727 1.00 0.00 N ATOM 583 CA ASP A 41 -0.460 -10.081 -2.921 1.00 0.00 C ATOM 584 C ASP A 41 -1.749 -9.665 -2.207 1.00 0.00 C ATOM 585 O ASP A 41 -1.979 -8.500 -1.951 1.00 0.00 O ATOM 586 CB ASP A 41 -0.603 -9.908 -4.432 1.00 0.00 C ATOM 587 CG ASP A 41 0.724 -10.250 -5.113 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.362 -11.197 -4.683 1.00 0.00 O ATOM 589 OD2 ASP A 41 1.080 -9.558 -6.053 1.00 0.00 O ATOM 0 H ASP A 41 -0.285 -12.105 -3.570 1.00 0.00 H new ATOM 0 HA ASP A 41 0.339 -9.463 -2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.395 -10.555 -4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.890 -8.883 -4.666 1.00 0.00 H new ATOM 594 N ASN A 42 -2.592 -10.608 -1.889 1.00 0.00 N ATOM 595 CA ASN A 42 -3.867 -10.266 -1.195 1.00 0.00 C ATOM 596 C ASN A 42 -3.681 -10.340 0.324 1.00 0.00 C ATOM 597 O ASN A 42 -3.847 -11.381 0.927 1.00 0.00 O ATOM 598 CB ASN A 42 -4.867 -11.323 -1.665 1.00 0.00 C ATOM 599 CG ASN A 42 -6.185 -11.151 -0.909 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.337 -10.232 -0.129 1.00 0.00 O ATOM 601 ND2 ASN A 42 -7.151 -12.006 -1.105 1.00 0.00 N ATOM 0 H ASN A 42 -2.454 -11.601 -2.079 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.203 -9.255 -1.423 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.036 -11.228 -2.738 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.465 -12.321 -1.493 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.033 -11.903 -0.604 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.024 -12.778 -1.760 1.00 0.00 H new ATOM 608 N HIS A 43 -3.342 -9.243 0.945 1.00 0.00 N ATOM 609 CA HIS A 43 -3.149 -9.256 2.426 1.00 0.00 C ATOM 610 C HIS A 43 -3.984 -8.152 3.076 1.00 0.00 C ATOM 611 O HIS A 43 -4.697 -7.426 2.411 1.00 0.00 O ATOM 612 CB HIS A 43 -1.655 -9.004 2.659 1.00 0.00 C ATOM 613 CG HIS A 43 -1.109 -8.055 1.623 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.039 -6.685 1.828 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.581 -8.275 0.377 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.483 -6.138 0.728 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.188 -7.065 -0.186 1.00 0.00 N ATOM 0 H HIS A 43 -3.190 -8.341 0.494 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.466 -10.202 2.864 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.502 -8.590 3.656 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.111 -9.948 2.618 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.485 -9.241 -0.096 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.299 -5.081 0.602 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.235 -6.918 -1.102 1.00 0.00 H new ATOM 625 N SER A 44 -3.899 -8.018 4.370 1.00 0.00 N ATOM 626 CA SER A 44 -4.691 -6.957 5.056 1.00 0.00 C ATOM 627 C SER A 44 -3.889 -5.657 5.106 1.00 0.00 C ATOM 628 O SER A 44 -2.833 -5.590 5.705 1.00 0.00 O ATOM 629 CB SER A 44 -4.955 -7.472 6.474 1.00 0.00 C ATOM 630 OG SER A 44 -4.236 -8.677 6.695 1.00 0.00 O ATOM 0 H SER A 44 -3.319 -8.593 4.980 1.00 0.00 H new ATOM 0 HA SER A 44 -5.623 -6.749 4.530 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.655 -6.721 7.204 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.022 -7.645 6.614 1.00 0.00 H new ATOM 0 HG SER A 44 -4.724 -9.427 6.295 1.00 0.00 H new ATOM 636 N CYS A 45 -4.378 -4.621 4.483 1.00 0.00 N ATOM 637 CA CYS A 45 -3.636 -3.329 4.502 1.00 0.00 C ATOM 638 C CYS A 45 -4.299 -2.347 5.467 1.00 0.00 C ATOM 639 O CYS A 45 -5.243 -2.678 6.164 1.00 0.00 O ATOM 640 CB CYS A 45 -3.700 -2.795 3.071 1.00 0.00 C ATOM 641 SG CYS A 45 -5.426 -2.679 2.539 1.00 0.00 S ATOM 0 H CYS A 45 -5.256 -4.612 3.963 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.607 -3.461 4.837 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.226 -1.815 3.017 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.147 -3.454 2.402 1.00 0.00 H new ATOM 646 N ALA A 46 -3.806 -1.143 5.515 1.00 0.00 N ATOM 647 CA ALA A 46 -4.396 -0.137 6.442 1.00 0.00 C ATOM 648 C ALA A 46 -4.651 -0.787 7.804 1.00 0.00 C ATOM 649 O ALA A 46 -5.657 -0.546 8.443 1.00 0.00 O ATOM 650 CB ALA A 46 -5.714 0.282 5.788 1.00 0.00 C ATOM 0 H ALA A 46 -3.021 -0.811 4.954 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.741 0.719 6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.210 1.024 6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.513 0.710 4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.359 -0.590 5.678 1.00 0.00 H new ATOM 656 N GLY A 47 -3.748 -1.621 8.246 1.00 0.00 N ATOM 657 CA GLY A 47 -3.936 -2.300 9.559 1.00 0.00 C ATOM 658 C GLY A 47 -5.094 -3.291 9.443 1.00 0.00 C ATOM 659 O GLY A 47 -5.358 -3.828 8.385 1.00 0.00 O ATOM 0 H GLY A 47 -2.888 -1.861 7.753 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.023 -2.820 9.849 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.145 -1.565 10.337 1.00 0.00 H new ATOM 663 N ASN A 48 -5.794 -3.534 10.516 1.00 0.00 N ATOM 664 CA ASN A 48 -6.937 -4.483 10.457 1.00 0.00 C ATOM 665 C ASN A 48 -8.205 -3.748 10.008 1.00 0.00 C ATOM 666 O ASN A 48 -9.296 -4.050 10.450 1.00 0.00 O ATOM 667 CB ASN A 48 -7.097 -5.003 11.887 1.00 0.00 C ATOM 668 CG ASN A 48 -5.892 -5.869 12.254 1.00 0.00 C ATOM 669 OD1 ASN A 48 -4.900 -5.372 12.749 1.00 0.00 O ATOM 670 ND2 ASN A 48 -5.937 -7.155 12.035 1.00 0.00 N ATOM 0 H ASN A 48 -5.623 -3.116 11.430 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.767 -5.293 9.748 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.182 -4.167 12.581 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.015 -5.584 11.973 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.140 -7.742 12.279 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.770 -7.573 11.619 1.00 0.00 H new ATOM 677 N ARG A 49 -8.067 -2.777 9.145 1.00 0.00 N ATOM 678 CA ARG A 49 -9.258 -2.016 8.682 1.00 0.00 C ATOM 679 C ARG A 49 -9.459 -2.180 7.173 1.00 0.00 C ATOM 680 O ARG A 49 -10.564 -2.098 6.677 1.00 0.00 O ATOM 681 CB ARG A 49 -8.933 -0.563 9.020 1.00 0.00 C ATOM 682 CG ARG A 49 -9.181 -0.318 10.509 1.00 0.00 C ATOM 683 CD ARG A 49 -10.122 0.877 10.682 1.00 0.00 C ATOM 684 NE ARG A 49 -9.228 2.068 10.697 1.00 0.00 N ATOM 685 CZ ARG A 49 -9.623 3.186 10.151 1.00 0.00 C ATOM 686 NH1 ARG A 49 -10.896 3.414 9.979 1.00 0.00 N ATOM 687 NH2 ARG A 49 -8.744 4.076 9.779 1.00 0.00 N ATOM 0 H ARG A 49 -7.179 -2.479 8.742 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.177 -2.363 9.154 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.894 -0.345 8.773 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.551 0.107 8.422 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.617 -1.206 10.967 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.237 -0.127 11.019 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.843 0.934 9.866 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.693 0.800 11.607 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.308 2.010 11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.583 2.719 10.271 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.205 4.288 9.552 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.749 3.898 9.915 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.052 4.950 9.352 1.00 0.00 H new ATOM 701 N GLY A 50 -8.405 -2.399 6.433 1.00 0.00 N ATOM 702 CA GLY A 50 -8.561 -2.550 4.958 1.00 0.00 C ATOM 703 C GLY A 50 -7.916 -3.858 4.490 1.00 0.00 C ATOM 704 O GLY A 50 -7.155 -4.479 5.205 1.00 0.00 O ATOM 0 H GLY A 50 -7.450 -2.479 6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.619 -2.542 4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.099 -1.705 4.448 1.00 0.00 H new ATOM 708 N TRP A 51 -8.221 -4.279 3.292 1.00 0.00 N ATOM 709 CA TRP A 51 -7.639 -5.545 2.764 1.00 0.00 C ATOM 710 C TRP A 51 -7.241 -5.365 1.295 1.00 0.00 C ATOM 711 O TRP A 51 -7.479 -4.331 0.705 1.00 0.00 O ATOM 712 CB TRP A 51 -8.771 -6.562 2.883 1.00 0.00 C ATOM 713 CG TRP A 51 -8.678 -7.278 4.191 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.520 -7.103 5.235 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.708 -8.279 4.611 1.00 0.00 C ATOM 716 NE1 TRP A 51 -9.130 -7.935 6.269 1.00 0.00 N ATOM 717 CE2 TRP A 51 -8.016 -8.678 5.933 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.603 -8.872 3.980 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.252 -9.634 6.605 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -5.832 -9.832 4.652 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.156 -10.213 5.962 1.00 0.00 C ATOM 0 H TRP A 51 -8.853 -3.796 2.653 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.744 -5.854 3.304 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.734 -6.058 2.803 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -8.716 -7.277 2.062 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.360 -6.424 5.258 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.607 -7.992 7.169 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.345 -8.587 2.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.507 -9.923 7.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.983 -10.281 4.157 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.559 -10.953 6.473 1.00 0.00 H new ATOM 732 N CYS A 52 -6.641 -6.360 0.695 1.00 0.00 N ATOM 733 CA CYS A 52 -6.243 -6.230 -0.735 1.00 0.00 C ATOM 734 C CYS A 52 -7.184 -7.050 -1.623 1.00 0.00 C ATOM 735 O CYS A 52 -7.071 -8.256 -1.714 1.00 0.00 O ATOM 736 CB CYS A 52 -4.828 -6.801 -0.808 1.00 0.00 C ATOM 737 SG CYS A 52 -3.641 -5.610 -0.136 1.00 0.00 S ATOM 0 H CYS A 52 -6.411 -7.252 1.132 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.290 -5.197 -1.079 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.775 -7.735 -0.248 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.575 -7.035 -1.842 1.00 0.00 H new ATOM 742 N ARG A 53 -8.106 -6.406 -2.281 1.00 0.00 N ATOM 743 CA ARG A 53 -9.049 -7.147 -3.165 1.00 0.00 C ATOM 744 C ARG A 53 -8.963 -6.610 -4.595 1.00 0.00 C ATOM 745 O ARG A 53 -8.904 -5.417 -4.814 1.00 0.00 O ATOM 746 CB ARG A 53 -10.435 -6.868 -2.581 1.00 0.00 C ATOM 747 CG ARG A 53 -10.433 -7.171 -1.084 1.00 0.00 C ATOM 748 CD ARG A 53 -11.074 -6.001 -0.338 1.00 0.00 C ATOM 749 NE ARG A 53 -11.073 -6.412 1.093 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.864 -5.817 1.944 1.00 0.00 C ATOM 751 NH1 ARG A 53 -11.710 -4.547 2.199 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.806 -6.493 2.542 1.00 0.00 N ATOM 0 H ARG A 53 -8.248 -5.397 -2.245 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.825 -8.213 -3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.709 -5.827 -2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.183 -7.481 -3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.983 -8.091 -0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.413 -7.328 -0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.508 -5.081 -0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.087 -5.813 -0.694 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.454 -7.159 1.409 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.972 -4.019 1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.328 -4.082 2.864 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.925 -7.487 2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.424 -6.028 3.207 1.00 0.00 H new ATOM 766 N SER A 54 -8.965 -7.475 -5.573 1.00 0.00 N ATOM 767 CA SER A 54 -8.897 -6.990 -6.979 1.00 0.00 C ATOM 768 C SER A 54 -9.941 -5.893 -7.177 1.00 0.00 C ATOM 769 O SER A 54 -9.693 -4.884 -7.807 1.00 0.00 O ATOM 770 CB SER A 54 -9.221 -8.210 -7.842 1.00 0.00 C ATOM 771 OG SER A 54 -10.166 -7.843 -8.839 1.00 0.00 O ATOM 0 H SER A 54 -9.010 -8.488 -5.460 1.00 0.00 H new ATOM 0 HA SER A 54 -7.924 -6.571 -7.238 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.313 -8.591 -8.308 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.622 -9.012 -7.222 1.00 0.00 H new ATOM 0 HG SER A 54 -10.374 -8.623 -9.395 1.00 0.00 H new ATOM 777 N LYS A 55 -11.104 -6.086 -6.625 1.00 0.00 N ATOM 778 CA LYS A 55 -12.179 -5.071 -6.747 1.00 0.00 C ATOM 779 C LYS A 55 -12.754 -4.788 -5.352 1.00 0.00 C ATOM 780 O LYS A 55 -12.856 -5.672 -4.526 1.00 0.00 O ATOM 781 CB LYS A 55 -13.211 -5.725 -7.680 1.00 0.00 C ATOM 782 CG LYS A 55 -14.634 -5.504 -7.157 1.00 0.00 C ATOM 783 CD LYS A 55 -15.634 -6.204 -8.080 1.00 0.00 C ATOM 784 CE LYS A 55 -16.243 -5.181 -9.041 1.00 0.00 C ATOM 785 NZ LYS A 55 -17.611 -5.692 -9.332 1.00 0.00 N ATOM 0 H LYS A 55 -11.357 -6.915 -6.088 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.846 -4.112 -7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.118 -5.307 -8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.010 -6.793 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.724 -5.894 -6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.853 -4.437 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.136 -6.994 -8.641 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.419 -6.678 -7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.280 -4.189 -8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.652 -5.095 -9.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.092 -5.042 -9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.544 -6.634 -9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.153 -5.757 -8.447 1.00 0.00 H new ATOM 799 N CYS A 56 -13.124 -3.568 -5.080 1.00 0.00 N ATOM 800 CA CYS A 56 -13.682 -3.249 -3.733 1.00 0.00 C ATOM 801 C CYS A 56 -15.203 -3.100 -3.817 1.00 0.00 C ATOM 802 O CYS A 56 -15.769 -3.006 -4.889 1.00 0.00 O ATOM 803 CB CYS A 56 -13.030 -1.925 -3.318 1.00 0.00 C ATOM 804 SG CYS A 56 -11.274 -1.924 -3.774 1.00 0.00 S ATOM 0 H CYS A 56 -13.066 -2.781 -5.726 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.477 -4.037 -3.009 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.540 -1.092 -3.802 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.134 -1.781 -2.243 1.00 0.00 H new ATOM 809 N PHE A 57 -15.871 -3.083 -2.696 1.00 0.00 N ATOM 810 CA PHE A 57 -17.354 -2.946 -2.713 1.00 0.00 C ATOM 811 C PHE A 57 -17.753 -1.481 -2.915 1.00 0.00 C ATOM 812 O PHE A 57 -16.936 -0.587 -2.820 1.00 0.00 O ATOM 813 CB PHE A 57 -17.806 -3.440 -1.339 1.00 0.00 C ATOM 814 CG PHE A 57 -17.149 -4.768 -1.045 1.00 0.00 C ATOM 815 CD1 PHE A 57 -17.667 -5.941 -1.603 1.00 0.00 C ATOM 816 CD2 PHE A 57 -16.024 -4.823 -0.215 1.00 0.00 C ATOM 817 CE1 PHE A 57 -17.059 -7.173 -1.333 1.00 0.00 C ATOM 818 CE2 PHE A 57 -15.416 -6.055 0.057 1.00 0.00 C ATOM 819 CZ PHE A 57 -15.933 -7.230 -0.502 1.00 0.00 C ATOM 0 H PHE A 57 -15.453 -3.158 -1.769 1.00 0.00 H new ATOM 0 HA PHE A 57 -17.812 -3.511 -3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -17.540 -2.712 -0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -18.891 -3.545 -1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -18.536 -5.897 -2.242 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.625 -3.916 0.215 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -17.458 -8.079 -1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.548 -6.099 0.698 1.00 0.00 H new ATOM 0 HZ PHE A 57 -15.464 -8.180 -0.292 1.00 0.00 H new ATOM 829 N ARG A 58 -19.003 -1.232 -3.195 1.00 0.00 N ATOM 830 CA ARG A 58 -19.453 0.172 -3.404 1.00 0.00 C ATOM 831 C ARG A 58 -19.343 0.962 -2.103 1.00 0.00 C ATOM 832 O ARG A 58 -18.929 2.104 -2.091 1.00 0.00 O ATOM 833 CB ARG A 58 -20.913 0.061 -3.841 1.00 0.00 C ATOM 834 CG ARG A 58 -21.270 1.252 -4.731 1.00 0.00 C ATOM 835 CD ARG A 58 -21.354 0.796 -6.189 1.00 0.00 C ATOM 836 NE ARG A 58 -20.979 1.995 -6.989 1.00 0.00 N ATOM 837 CZ ARG A 58 -20.310 1.854 -8.100 1.00 0.00 C ATOM 838 NH1 ARG A 58 -19.033 1.582 -8.062 1.00 0.00 N ATOM 839 NH2 ARG A 58 -20.915 1.986 -9.249 1.00 0.00 N ATOM 0 H ARG A 58 -19.731 -1.940 -3.288 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.845 0.693 -4.144 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.072 -0.872 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.565 0.038 -2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -22.222 1.680 -4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -20.519 2.035 -4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -20.676 -0.035 -6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -22.358 0.453 -6.438 1.00 0.00 H new ATOM 0 HE ARG A 58 -21.245 2.926 -6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.560 1.480 -7.164 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.509 1.472 -8.930 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -21.912 2.200 -9.279 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.391 1.876 -10.117 1.00 0.00 H new ATOM 853 N HIS A 59 -19.705 0.362 -1.004 1.00 0.00 N ATOM 854 CA HIS A 59 -19.615 1.077 0.296 1.00 0.00 C ATOM 855 C HIS A 59 -18.148 1.329 0.654 1.00 0.00 C ATOM 856 O HIS A 59 -17.841 1.998 1.622 1.00 0.00 O ATOM 857 CB HIS A 59 -20.264 0.135 1.310 1.00 0.00 C ATOM 858 CG HIS A 59 -21.720 -0.036 0.971 1.00 0.00 C ATOM 859 ND1 HIS A 59 -22.309 0.608 -0.106 1.00 0.00 N ATOM 860 CD2 HIS A 59 -22.718 -0.776 1.556 1.00 0.00 C ATOM 861 CE1 HIS A 59 -23.605 0.248 -0.135 1.00 0.00 C ATOM 862 NE2 HIS A 59 -23.907 -0.596 0.856 1.00 0.00 N ATOM 0 H HIS A 59 -20.059 -0.593 -0.951 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.108 2.049 0.272 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -19.761 -0.832 1.299 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -20.158 0.538 2.317 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.598 -1.403 2.427 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -24.315 0.598 -0.870 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.814 -1.018 1.056 1.00 0.00 H new ATOM 870 N GLU A 60 -17.238 0.799 -0.118 1.00 0.00 N ATOM 871 CA GLU A 60 -15.794 1.007 0.177 1.00 0.00 C ATOM 872 C GLU A 60 -15.086 1.568 -1.058 1.00 0.00 C ATOM 873 O GLU A 60 -15.684 1.739 -2.101 1.00 0.00 O ATOM 874 CB GLU A 60 -15.265 -0.388 0.506 1.00 0.00 C ATOM 875 CG GLU A 60 -15.501 -0.692 1.987 1.00 0.00 C ATOM 876 CD GLU A 60 -14.573 -1.824 2.429 1.00 0.00 C ATOM 877 OE1 GLU A 60 -13.426 -1.821 2.013 1.00 0.00 O ATOM 878 OE2 GLU A 60 -15.024 -2.676 3.178 1.00 0.00 O ATOM 0 H GLU A 60 -17.434 0.230 -0.942 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.628 1.713 0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.766 -1.133 -0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.201 -0.447 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.316 0.199 2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.541 -0.975 2.150 1.00 0.00 H new ATOM 885 N TYR A 61 -13.815 1.846 -0.956 1.00 0.00 N ATOM 886 CA TYR A 61 -13.081 2.382 -2.140 1.00 0.00 C ATOM 887 C TYR A 61 -11.759 1.645 -2.320 1.00 0.00 C ATOM 888 O TYR A 61 -11.492 0.648 -1.677 1.00 0.00 O ATOM 889 CB TYR A 61 -12.828 3.861 -1.847 1.00 0.00 C ATOM 890 CG TYR A 61 -11.918 4.005 -0.648 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.396 3.696 0.630 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.600 4.456 -0.814 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.559 3.835 1.744 1.00 0.00 C ATOM 894 CE2 TYR A 61 -9.765 4.596 0.301 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.245 4.285 1.579 1.00 0.00 C ATOM 896 OH TYR A 61 -9.421 4.423 2.678 1.00 0.00 O ATOM 0 H TYR A 61 -13.256 1.727 -0.111 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.654 2.250 -3.058 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.376 4.340 -2.716 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -13.774 4.369 -1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.411 3.350 0.757 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.230 4.695 -1.800 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.928 3.595 2.730 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.750 4.944 0.175 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.541 4.744 2.389 1.00 0.00 H new ATOM 906 N VAL A 62 -10.931 2.137 -3.193 1.00 0.00 N ATOM 907 CA VAL A 62 -9.616 1.478 -3.429 1.00 0.00 C ATOM 908 C VAL A 62 -8.494 2.325 -2.832 1.00 0.00 C ATOM 909 O VAL A 62 -7.918 3.155 -3.503 1.00 0.00 O ATOM 910 CB VAL A 62 -9.473 1.408 -4.949 1.00 0.00 C ATOM 911 CG1 VAL A 62 -8.030 1.047 -5.309 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.417 0.340 -5.504 1.00 0.00 C ATOM 0 H VAL A 62 -11.106 2.969 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.559 0.492 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.726 2.376 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.927 0.997 -6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.356 1.807 -4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.778 0.079 -4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.314 0.291 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.165 -0.628 -5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.445 0.595 -5.248 1.00 0.00 H new ATOM 922 N ASP A 63 -8.183 2.121 -1.578 1.00 0.00 N ATOM 923 CA ASP A 63 -7.094 2.917 -0.935 1.00 0.00 C ATOM 924 C ASP A 63 -5.923 3.091 -1.904 1.00 0.00 C ATOM 925 O ASP A 63 -5.031 2.270 -1.972 1.00 0.00 O ATOM 926 CB ASP A 63 -6.665 2.095 0.282 1.00 0.00 C ATOM 927 CG ASP A 63 -5.924 2.995 1.271 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.805 4.177 0.991 1.00 0.00 O ATOM 929 OD2 ASP A 63 -5.488 2.488 2.291 1.00 0.00 O ATOM 0 H ASP A 63 -8.636 1.438 -0.971 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.426 3.917 -0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.538 1.652 0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.021 1.273 -0.030 1.00 0.00 H new ATOM 934 N THR A 64 -5.928 4.153 -2.659 1.00 0.00 N ATOM 935 CA THR A 64 -4.822 4.381 -3.635 1.00 0.00 C ATOM 936 C THR A 64 -3.467 4.377 -2.923 1.00 0.00 C ATOM 937 O THR A 64 -2.450 4.055 -3.505 1.00 0.00 O ATOM 938 CB THR A 64 -5.103 5.760 -4.234 1.00 0.00 C ATOM 939 OG1 THR A 64 -5.746 6.573 -3.264 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.005 5.613 -5.460 1.00 0.00 C ATOM 0 H THR A 64 -6.649 4.874 -2.644 1.00 0.00 H new ATOM 0 HA THR A 64 -4.781 3.601 -4.395 1.00 0.00 H new ATOM 0 HB THR A 64 -4.163 6.225 -4.533 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.925 7.458 -3.646 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.204 6.597 -5.885 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.509 4.990 -6.204 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.946 5.148 -5.166 1.00 0.00 H new ATOM 948 N TYR A 65 -3.445 4.738 -1.672 1.00 0.00 N ATOM 949 CA TYR A 65 -2.155 4.763 -0.924 1.00 0.00 C ATOM 950 C TYR A 65 -1.644 3.343 -0.670 1.00 0.00 C ATOM 951 O TYR A 65 -0.500 3.029 -0.930 1.00 0.00 O ATOM 952 CB TYR A 65 -2.483 5.452 0.400 1.00 0.00 C ATOM 953 CG TYR A 65 -1.209 5.958 1.031 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.531 7.044 0.467 1.00 0.00 C ATOM 955 CD2 TYR A 65 -0.705 5.339 2.181 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.653 7.510 1.051 1.00 0.00 C ATOM 957 CE2 TYR A 65 0.478 5.806 2.766 1.00 0.00 C ATOM 958 CZ TYR A 65 1.158 6.892 2.201 1.00 0.00 C ATOM 959 OH TYR A 65 2.324 7.351 2.776 1.00 0.00 O ATOM 0 H TYR A 65 -4.264 5.017 -1.133 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.373 5.280 -1.480 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.172 6.280 0.231 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.982 4.754 1.072 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.921 7.523 -0.419 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.229 4.501 2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.177 8.347 0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.866 5.329 3.653 1.00 0.00 H new ATOM 0 HH TYR A 65 2.533 6.811 3.567 1.00 0.00 H new ATOM 969 N TYR A 66 -2.478 2.486 -0.149 1.00 0.00 N ATOM 970 CA TYR A 66 -2.030 1.092 0.138 1.00 0.00 C ATOM 971 C TYR A 66 -2.103 0.220 -1.120 1.00 0.00 C ATOM 972 O TYR A 66 -1.634 -0.903 -1.132 1.00 0.00 O ATOM 973 CB TYR A 66 -2.990 0.581 1.209 1.00 0.00 C ATOM 974 CG TYR A 66 -2.488 1.001 2.570 1.00 0.00 C ATOM 975 CD1 TYR A 66 -2.814 2.265 3.076 1.00 0.00 C ATOM 976 CD2 TYR A 66 -1.690 0.130 3.321 1.00 0.00 C ATOM 977 CE1 TYR A 66 -2.344 2.656 4.335 1.00 0.00 C ATOM 978 CE2 TYR A 66 -1.219 0.521 4.579 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.546 1.785 5.088 1.00 0.00 C ATOM 980 OH TYR A 66 -1.082 2.171 6.328 1.00 0.00 O ATOM 0 H TYR A 66 -3.449 2.689 0.090 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.992 1.060 0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.990 0.980 1.038 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.067 -0.505 1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.428 2.938 2.495 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.438 -0.844 2.929 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.597 3.630 4.726 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.603 -0.151 5.158 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.545 1.449 6.716 1.00 0.00 H new ATOM 990 N SER A 67 -2.671 0.723 -2.182 1.00 0.00 N ATOM 991 CA SER A 67 -2.746 -0.094 -3.427 1.00 0.00 C ATOM 992 C SER A 67 -1.350 -0.617 -3.774 1.00 0.00 C ATOM 993 O SER A 67 -1.194 -1.589 -4.488 1.00 0.00 O ATOM 994 CB SER A 67 -3.246 0.867 -4.505 1.00 0.00 C ATOM 995 OG SER A 67 -4.661 0.779 -4.593 1.00 0.00 O ATOM 0 H SER A 67 -3.082 1.654 -2.242 1.00 0.00 H new ATOM 0 HA SER A 67 -3.403 -0.958 -3.327 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.948 1.888 -4.265 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.794 0.621 -5.466 1.00 0.00 H new ATOM 0 HG SER A 67 -5.065 1.213 -3.813 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.336 0.028 -3.268 1.00 0.00 N ATOM 1002 CA ALA A 68 1.056 -0.412 -3.556 1.00 0.00 C ATOM 1003 C ALA A 68 1.360 -1.741 -2.856 1.00 0.00 C ATOM 1004 O ALA A 68 1.837 -2.674 -3.469 1.00 0.00 O ATOM 1005 CB ALA A 68 1.943 0.700 -2.998 1.00 0.00 C ATOM 0 H ALA A 68 -0.413 0.846 -2.664 1.00 0.00 H new ATOM 0 HA ALA A 68 1.220 -0.576 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.990 0.451 -3.171 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.706 1.640 -3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.767 0.803 -1.927 1.00 0.00 H new ATOM 1011 N VAL A 69 1.104 -1.837 -1.577 1.00 0.00 N ATOM 1012 CA VAL A 69 1.404 -3.115 -0.869 1.00 0.00 C ATOM 1013 C VAL A 69 0.534 -4.248 -1.417 1.00 0.00 C ATOM 1014 O VAL A 69 0.951 -5.387 -1.455 1.00 0.00 O ATOM 1015 CB VAL A 69 1.121 -2.860 0.619 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.374 -2.684 0.868 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.627 -4.045 1.439 1.00 0.00 C ATOM 0 H VAL A 69 0.706 -1.096 -1.000 1.00 0.00 H new ATOM 0 HA VAL A 69 2.440 -3.421 -1.017 1.00 0.00 H new ATOM 0 HB VAL A 69 1.635 -1.946 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.548 -2.505 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.741 -1.835 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.903 -3.587 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.428 -3.868 2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.115 -4.953 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.700 -4.161 1.286 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.659 -3.954 -1.862 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.521 -5.040 -2.416 1.00 0.00 C ATOM 1029 C CYS A 70 -0.851 -5.642 -3.652 1.00 0.00 C ATOM 1030 O CYS A 70 -0.674 -6.840 -3.754 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.840 -4.370 -2.808 1.00 0.00 C ATOM 1032 SG CYS A 70 -3.817 -3.989 -1.331 1.00 0.00 S ATOM 0 H CYS A 70 -1.071 -3.021 -1.867 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.681 -5.842 -1.695 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.639 -3.455 -3.365 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.407 -5.027 -3.468 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.474 -4.817 -4.592 1.00 0.00 N ATOM 1038 CA GLY A 71 0.187 -5.338 -5.820 1.00 0.00 C ATOM 1039 C GLY A 71 -0.875 -5.760 -6.835 1.00 0.00 C ATOM 1040 O GLY A 71 -1.677 -4.962 -7.277 1.00 0.00 O ATOM 0 H GLY A 71 -0.596 -3.805 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.832 -4.572 -6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.823 -6.187 -5.570 1.00 0.00 H new ATOM 1044 N ARG A 72 -0.888 -7.010 -7.209 1.00 0.00 N ATOM 1045 CA ARG A 72 -1.898 -7.485 -8.197 1.00 0.00 C ATOM 1046 C ARG A 72 -3.296 -7.020 -7.785 1.00 0.00 C ATOM 1047 O ARG A 72 -4.192 -6.917 -8.600 1.00 0.00 O ATOM 1048 CB ARG A 72 -1.804 -9.010 -8.155 1.00 0.00 C ATOM 1049 CG ARG A 72 -2.054 -9.577 -9.554 1.00 0.00 C ATOM 1050 CD ARG A 72 -0.737 -9.614 -10.334 1.00 0.00 C ATOM 1051 NE ARG A 72 -1.033 -10.420 -11.551 1.00 0.00 N ATOM 1052 CZ ARG A 72 -0.445 -10.134 -12.681 1.00 0.00 C ATOM 1053 NH1 ARG A 72 0.842 -9.919 -12.711 1.00 0.00 N ATOM 1054 NH2 ARG A 72 -1.143 -10.066 -13.782 1.00 0.00 N ATOM 0 H ARG A 72 -0.242 -7.724 -6.873 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.716 -7.094 -9.198 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.820 -9.314 -7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.535 -9.411 -7.453 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.474 -10.580 -9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.784 -8.963 -10.081 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.405 -8.609 -10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.059 -10.068 -9.744 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.695 -11.195 -11.502 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.388 -9.974 -11.852 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.301 -9.696 -13.594 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.148 -10.236 -13.760 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.683 -9.842 -14.665 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.490 -6.738 -6.526 1.00 0.00 N ATOM 1069 CA TYR A 73 -4.832 -6.279 -6.064 1.00 0.00 C ATOM 1070 C TYR A 73 -4.745 -4.854 -5.518 1.00 0.00 C ATOM 1071 O TYR A 73 -3.686 -4.260 -5.465 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.226 -7.250 -4.951 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.351 -8.642 -5.517 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -6.037 -8.848 -6.719 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -4.778 -9.726 -4.842 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -6.152 -10.139 -7.247 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -4.893 -11.018 -5.370 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.579 -11.224 -6.573 1.00 0.00 C ATOM 1079 OH TYR A 73 -5.691 -12.497 -7.094 1.00 0.00 O ATOM 0 H TYR A 73 -2.779 -6.805 -5.798 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.562 -6.268 -6.874 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.478 -7.234 -4.159 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.171 -6.942 -4.503 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.478 -8.011 -7.239 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.248 -9.566 -3.915 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.683 -10.298 -8.174 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.453 -11.855 -4.849 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.237 -13.133 -6.503 1.00 0.00 H new ATOM 1089 N PHE A 74 -5.852 -4.305 -5.104 1.00 0.00 N ATOM 1090 CA PHE A 74 -5.839 -2.921 -4.552 1.00 0.00 C ATOM 1091 C PHE A 74 -6.244 -2.958 -3.077 1.00 0.00 C ATOM 1092 O PHE A 74 -7.043 -3.774 -2.670 1.00 0.00 O ATOM 1093 CB PHE A 74 -6.877 -2.139 -5.367 1.00 0.00 C ATOM 1094 CG PHE A 74 -6.847 -2.583 -6.813 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -5.622 -2.794 -7.457 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -8.046 -2.787 -7.505 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -5.597 -3.207 -8.794 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -8.022 -3.199 -8.843 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.798 -3.410 -9.487 1.00 0.00 C ATOM 0 H PHE A 74 -6.767 -4.755 -5.124 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.853 -2.461 -4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.872 -2.298 -4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.671 -1.071 -5.303 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.697 -2.638 -6.922 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.991 -2.627 -7.007 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.652 -3.369 -9.292 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.948 -3.354 -9.377 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.779 -3.729 -10.519 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.711 -2.084 -2.273 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.087 -2.088 -0.831 1.00 0.00 C ATOM 1111 C CYS A 75 -7.435 -1.395 -0.652 1.00 0.00 C ATOM 1112 O CYS A 75 -7.505 -0.188 -0.549 1.00 0.00 O ATOM 1113 CB CYS A 75 -4.989 -1.295 -0.116 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.529 -0.910 1.570 1.00 0.00 S ATOM 0 H CYS A 75 -5.036 -1.371 -2.548 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.176 -3.099 -0.433 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.065 -1.873 -0.091 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.775 -0.375 -0.661 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.508 -2.136 -0.605 1.00 0.00 N ATOM 1120 CA CYS A 76 -9.830 -1.484 -0.423 1.00 0.00 C ATOM 1121 C CYS A 76 -10.016 -1.120 1.046 1.00 0.00 C ATOM 1122 O CYS A 76 -9.346 -1.641 1.916 1.00 0.00 O ATOM 1123 CB CYS A 76 -10.860 -2.525 -0.847 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.415 -3.198 -2.466 1.00 0.00 S ATOM 0 H CYS A 76 -8.525 -3.153 -0.684 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.926 -0.568 -1.007 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -10.906 -3.326 -0.110 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.851 -2.074 -0.890 1.00 0.00 H new ATOM 1129 N ARG A 77 -10.914 -0.226 1.329 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.136 0.181 2.745 1.00 0.00 C ATOM 1131 C ARG A 77 -12.530 0.783 2.919 1.00 0.00 C ATOM 1132 O ARG A 77 -13.345 0.768 2.017 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.072 1.243 3.029 1.00 0.00 C ATOM 1134 CG ARG A 77 -8.678 0.629 2.905 1.00 0.00 C ATOM 1135 CD ARG A 77 -7.644 1.585 3.506 1.00 0.00 C ATOM 1136 NE ARG A 77 -8.196 1.967 4.836 1.00 0.00 N ATOM 1137 CZ ARG A 77 -8.012 3.174 5.296 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -6.853 3.755 5.158 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -8.990 3.802 5.892 1.00 0.00 N ATOM 0 H ARG A 77 -11.506 0.243 0.644 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.065 -0.669 3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.177 2.072 2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.211 1.651 4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.645 -0.331 3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.446 0.437 1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.672 1.102 3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.501 2.460 2.872 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.718 1.285 5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.090 3.266 4.690 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.709 4.699 5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.898 3.349 5.998 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.846 4.746 6.252 1.00 0.00 H new ATOM 1153 N SER A 78 -12.801 1.318 4.075 1.00 0.00 N ATOM 1154 CA SER A 78 -14.137 1.932 4.321 1.00 0.00 C ATOM 1155 C SER A 78 -13.993 3.440 4.545 1.00 0.00 C ATOM 1156 O SER A 78 -13.710 3.892 5.636 1.00 0.00 O ATOM 1157 CB SER A 78 -14.661 1.248 5.583 1.00 0.00 C ATOM 1158 OG SER A 78 -16.058 1.477 5.697 1.00 0.00 O ATOM 0 H SER A 78 -12.154 1.357 4.863 1.00 0.00 H new ATOM 0 HA SER A 78 -14.814 1.801 3.477 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.459 0.178 5.541 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.145 1.635 6.461 1.00 0.00 H new ATOM 0 HG SER A 78 -16.397 1.038 6.505 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.188 4.222 3.518 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.063 5.700 3.670 1.00 0.00 C ATOM 1166 C ARG A 79 -15.228 6.247 4.499 1.00 0.00 C ATOM 1167 O ARG A 79 -16.301 6.409 3.941 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.113 6.249 2.244 1.00 0.00 C ATOM 1169 CG ARG A 79 -13.618 7.697 2.237 1.00 0.00 C ATOM 1170 CD ARG A 79 -12.249 7.765 1.557 1.00 0.00 C ATOM 1171 NE ARG A 79 -11.319 8.253 2.613 1.00 0.00 N ATOM 1172 CZ ARG A 79 -11.390 9.490 3.023 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -11.454 10.462 2.154 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -11.395 9.755 4.301 1.00 0.00 N ATOM 1175 OXT ARG A 79 -15.027 6.494 5.676 1.00 0.00 O ATOM 0 H ARG A 79 -14.429 3.901 2.580 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.146 5.987 4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.494 5.639 1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.132 6.200 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.329 8.333 1.710 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.548 8.074 3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.944 6.787 1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.266 8.441 0.702 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.627 7.621 3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.449 10.254 1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.510 11.429 2.474 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.343 8.995 4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.450 10.722 4.621 1.00 0.00 H new TER 1189 ARG A 79