USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0812) USER MOD Set 1.2: A 36 HIS : no HE2:sc= -0.567 K(o=-0.57,f=-2.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= -0.0876 (180deg=-0.518) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -1.28 K(o=-1.3,f=-3.2) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 149:sc= -0.156 (180deg=-0.749) USER MOD Single : A 21 SER OG : rot -110:sc= -0.791 USER MOD Single : A 23 THR OG1 : rot -170:sc= -0.415 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 165:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.268 X(o=-0.27,f=0.003) USER MOD Single : A 65 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.7!) USER MOD Single : A 66 TYR OH : rot -108:sc= 1.36 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0578 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.995 -1.776 -6.834 1.00 0.00 N ATOM 2 CA MET A 1 17.142 -1.743 -5.651 1.00 0.00 C ATOM 3 C MET A 1 15.668 -1.723 -6.044 1.00 0.00 C ATOM 4 O MET A 1 14.864 -1.014 -5.439 1.00 0.00 O ATOM 5 CB MET A 1 17.470 -0.519 -4.794 1.00 0.00 C ATOM 6 CG MET A 1 17.253 0.802 -5.513 1.00 0.00 C ATOM 7 SD MET A 1 17.914 2.208 -4.597 1.00 0.00 S ATOM 8 CE MET A 1 16.919 3.542 -5.260 1.00 0.00 C ATOM 0 H1 MET A 1 18.963 -1.502 -6.571 1.00 0.00 H new ATOM 0 H2 MET A 1 18.002 -2.738 -7.230 1.00 0.00 H new ATOM 0 H3 MET A 1 17.628 -1.112 -7.545 1.00 0.00 H new ATOM 0 HA MET A 1 17.333 -2.646 -5.071 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.854 -0.539 -3.895 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.509 -0.580 -4.470 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.725 0.759 -6.495 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.186 0.950 -5.678 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.210 4.481 -4.790 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.074 3.611 -6.337 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.866 3.346 -5.057 1.00 0.00 H new ATOM 18 N VAL A 2 15.321 -2.505 -7.061 1.00 0.00 N ATOM 19 CA VAL A 2 13.943 -2.578 -7.534 1.00 0.00 C ATOM 20 C VAL A 2 13.131 -3.571 -6.710 1.00 0.00 C ATOM 21 O VAL A 2 11.914 -3.437 -6.581 1.00 0.00 O ATOM 22 CB VAL A 2 13.880 -2.986 -9.018 1.00 0.00 C ATOM 23 CG1 VAL A 2 14.675 -2.012 -9.874 1.00 0.00 C ATOM 24 CG2 VAL A 2 14.389 -4.408 -9.201 1.00 0.00 C ATOM 0 H VAL A 2 15.975 -3.097 -7.573 1.00 0.00 H new ATOM 0 HA VAL A 2 13.516 -1.582 -7.420 1.00 0.00 H new ATOM 0 HB VAL A 2 12.840 -2.952 -9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 2 14.619 -2.316 -10.919 1.00 0.00 H new ATOM 0 HG12 VAL A 2 14.260 -1.010 -9.765 1.00 0.00 H new ATOM 0 HG13 VAL A 2 15.716 -2.011 -9.552 1.00 0.00 H new ATOM 0 HG21 VAL A 2 14.338 -4.680 -10.255 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.422 -4.471 -8.860 1.00 0.00 H new ATOM 0 HG23 VAL A 2 13.772 -5.093 -8.619 1.00 0.00 H new ATOM 34 N SER A 3 13.813 -4.566 -6.153 1.00 0.00 N ATOM 35 CA SER A 3 13.154 -5.585 -5.343 1.00 0.00 C ATOM 36 C SER A 3 13.498 -5.411 -3.866 1.00 0.00 C ATOM 37 O SER A 3 14.661 -5.503 -3.473 1.00 0.00 O ATOM 38 CB SER A 3 13.563 -6.982 -5.812 1.00 0.00 C ATOM 39 OG SER A 3 12.856 -7.354 -6.982 1.00 0.00 O ATOM 0 H SER A 3 14.821 -4.689 -6.247 1.00 0.00 H new ATOM 0 HA SER A 3 12.077 -5.470 -5.464 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.635 -7.004 -6.009 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.369 -7.706 -5.021 1.00 0.00 H new ATOM 0 HG SER A 3 13.136 -8.250 -7.263 1.00 0.00 H new ATOM 45 N ARG A 4 12.477 -5.159 -3.054 1.00 0.00 N ATOM 46 CA ARG A 4 12.670 -4.971 -1.621 1.00 0.00 C ATOM 47 C ARG A 4 13.025 -6.290 -0.942 1.00 0.00 C ATOM 48 O ARG A 4 13.882 -6.335 -0.060 1.00 0.00 O ATOM 49 CB ARG A 4 11.407 -4.383 -0.988 1.00 0.00 C ATOM 50 CG ARG A 4 10.864 -3.170 -1.725 1.00 0.00 C ATOM 51 CD ARG A 4 9.526 -2.724 -1.155 1.00 0.00 C ATOM 52 NE ARG A 4 8.563 -3.820 -1.099 1.00 0.00 N ATOM 53 CZ ARG A 4 7.403 -3.747 -0.455 1.00 0.00 C ATOM 54 NH1 ARG A 4 7.065 -2.636 0.184 1.00 0.00 N ATOM 55 NH2 ARG A 4 6.579 -4.787 -0.450 1.00 0.00 N ATOM 0 H ARG A 4 11.508 -5.080 -3.363 1.00 0.00 H new ATOM 0 HA ARG A 4 13.497 -4.276 -1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.636 -5.152 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 4 11.624 -4.104 0.043 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.580 -2.351 -1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.749 -3.407 -2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.675 -2.321 -0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.122 -1.917 -1.767 1.00 0.00 H new ATOM 0 HE ARG A 4 8.793 -4.689 -1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.696 -1.835 0.182 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.174 -2.583 0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.836 -5.643 -0.941 1.00 0.00 H new ATOM 0 HH22 ARG A 4 5.689 -4.730 0.045 1.00 0.00 H new ATOM 69 N ASP A 5 12.360 -7.362 -1.360 1.00 0.00 N ATOM 70 CA ASP A 5 12.606 -8.683 -0.793 1.00 0.00 C ATOM 71 C ASP A 5 12.146 -9.779 -1.749 1.00 0.00 C ATOM 72 O ASP A 5 10.948 -9.991 -1.933 1.00 0.00 O ATOM 73 CB ASP A 5 11.888 -8.826 0.550 1.00 0.00 C ATOM 74 CG ASP A 5 12.348 -10.046 1.325 1.00 0.00 C ATOM 75 OD1 ASP A 5 13.482 -10.511 1.082 1.00 0.00 O ATOM 76 OD2 ASP A 5 11.576 -10.534 2.176 1.00 0.00 O ATOM 0 H ASP A 5 11.647 -7.342 -2.089 1.00 0.00 H new ATOM 0 HA ASP A 5 13.679 -8.790 -0.636 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.062 -7.932 1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.813 -8.891 0.379 1.00 0.00 H new ATOM 81 N GLN A 6 13.107 -10.470 -2.355 1.00 0.00 N ATOM 82 CA GLN A 6 12.799 -11.542 -3.294 1.00 0.00 C ATOM 83 C GLN A 6 12.712 -12.885 -2.576 1.00 0.00 C ATOM 84 O GLN A 6 12.041 -13.806 -3.042 1.00 0.00 O ATOM 85 CB GLN A 6 13.861 -11.606 -4.393 1.00 0.00 C ATOM 86 CG GLN A 6 13.405 -12.353 -5.636 1.00 0.00 C ATOM 87 CD GLN A 6 14.075 -11.848 -6.899 1.00 0.00 C ATOM 88 OE1 GLN A 6 13.615 -10.888 -7.518 1.00 0.00 O ATOM 89 NE2 GLN A 6 15.168 -12.493 -7.288 1.00 0.00 N ATOM 0 H GLN A 6 14.104 -10.307 -2.213 1.00 0.00 H new ATOM 0 HA GLN A 6 11.831 -11.329 -3.746 1.00 0.00 H new ATOM 0 HB2 GLN A 6 14.145 -10.591 -4.672 1.00 0.00 H new ATOM 0 HB3 GLN A 6 14.754 -12.089 -3.996 1.00 0.00 H new ATOM 0 HG2 GLN A 6 13.619 -13.415 -5.516 1.00 0.00 H new ATOM 0 HG3 GLN A 6 12.324 -12.255 -5.738 1.00 0.00 H new ATOM 0 HE21 GLN A 6 15.514 -13.284 -6.745 1.00 0.00 H new ATOM 0 HE22 GLN A 6 15.662 -12.198 -8.130 1.00 0.00 H new ATOM 98 N ALA A 7 13.395 -12.989 -1.441 1.00 0.00 N ATOM 99 CA ALA A 7 13.393 -14.219 -0.659 1.00 0.00 C ATOM 100 C ALA A 7 11.998 -14.529 -0.127 1.00 0.00 C ATOM 101 O ALA A 7 11.653 -15.690 0.099 1.00 0.00 O ATOM 102 CB ALA A 7 14.387 -14.116 0.489 1.00 0.00 C ATOM 0 H ALA A 7 13.957 -12.237 -1.043 1.00 0.00 H new ATOM 0 HA ALA A 7 13.694 -15.037 -1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 7 14.375 -15.041 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 7 15.388 -13.950 0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.111 -13.283 1.136 1.00 0.00 H new ATOM 108 N HIS A 8 11.200 -13.485 0.073 1.00 0.00 N ATOM 109 CA HIS A 8 9.842 -13.647 0.579 1.00 0.00 C ATOM 110 C HIS A 8 8.843 -12.900 -0.299 1.00 0.00 C ATOM 111 O HIS A 8 8.903 -11.676 -0.424 1.00 0.00 O ATOM 112 CB HIS A 8 9.748 -13.143 2.020 1.00 0.00 C ATOM 113 CG HIS A 8 10.864 -13.623 2.896 1.00 0.00 C ATOM 114 ND1 HIS A 8 11.411 -14.885 2.795 1.00 0.00 N ATOM 115 CD2 HIS A 8 11.537 -13.002 3.892 1.00 0.00 C ATOM 116 CE1 HIS A 8 12.370 -15.020 3.692 1.00 0.00 C ATOM 117 NE2 HIS A 8 12.468 -13.891 4.371 1.00 0.00 N ATOM 0 H HIS A 8 11.470 -12.518 -0.108 1.00 0.00 H new ATOM 0 HA HIS A 8 9.597 -14.709 0.557 1.00 0.00 H new ATOM 0 HB2 HIS A 8 9.744 -12.053 2.015 1.00 0.00 H new ATOM 0 HB3 HIS A 8 8.798 -13.464 2.447 1.00 0.00 H new ATOM 0 HD1 HIS A 8 11.120 -15.602 2.131 1.00 0.00 H new ATOM 0 HD2 HIS A 8 11.373 -11.995 4.245 1.00 0.00 H new ATOM 0 HE1 HIS A 8 12.972 -15.903 3.845 1.00 0.00 H new ATOM 125 N LEU A 9 7.925 -13.644 -0.908 1.00 0.00 N ATOM 126 CA LEU A 9 6.913 -13.053 -1.776 1.00 0.00 C ATOM 127 C LEU A 9 5.547 -13.050 -1.096 1.00 0.00 C ATOM 128 O LEU A 9 4.930 -14.099 -0.916 1.00 0.00 O ATOM 129 CB LEU A 9 6.836 -13.819 -3.098 1.00 0.00 C ATOM 130 CG LEU A 9 7.802 -13.365 -4.193 1.00 0.00 C ATOM 131 CD1 LEU A 9 9.243 -13.583 -3.758 1.00 0.00 C ATOM 132 CD2 LEU A 9 7.518 -14.103 -5.493 1.00 0.00 C ATOM 0 H LEU A 9 7.861 -14.658 -0.816 1.00 0.00 H new ATOM 0 HA LEU A 9 7.200 -12.021 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.018 -14.874 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.819 -13.740 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 9 7.653 -12.299 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.916 -13.254 -4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.440 -13.009 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.407 -14.642 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.215 -13.768 -6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.639 -15.175 -5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.497 -13.896 -5.813 1.00 0.00 H new ATOM 144 N GLY A 10 5.080 -11.862 -0.723 1.00 0.00 N ATOM 145 CA GLY A 10 3.789 -11.745 -0.070 1.00 0.00 C ATOM 146 C GLY A 10 3.649 -10.452 0.709 1.00 0.00 C ATOM 147 O GLY A 10 4.628 -9.758 0.982 1.00 0.00 O ATOM 0 H GLY A 10 5.572 -10.979 -0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.000 -11.801 -0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.649 -12.589 0.605 1.00 0.00 H new ATOM 151 N PRO A 11 2.405 -10.111 1.077 1.00 0.00 N ATOM 152 CA PRO A 11 2.111 -8.890 1.833 1.00 0.00 C ATOM 153 C PRO A 11 2.622 -8.959 3.268 1.00 0.00 C ATOM 154 O PRO A 11 3.352 -9.881 3.635 1.00 0.00 O ATOM 155 CB PRO A 11 0.582 -8.821 1.813 1.00 0.00 C ATOM 156 CG PRO A 11 0.141 -10.233 1.637 1.00 0.00 C ATOM 157 CD PRO A 11 1.191 -10.891 0.785 1.00 0.00 C ATOM 0 HA PRO A 11 2.597 -8.016 1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.193 -8.397 2.739 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.225 -8.190 0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.048 -10.736 2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.837 -10.280 1.157 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.317 -11.942 1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.933 -10.851 -0.273 1.00 0.00 H new ATOM 165 N LYS A 12 2.236 -7.978 4.077 1.00 0.00 N ATOM 166 CA LYS A 12 2.653 -7.928 5.473 1.00 0.00 C ATOM 167 C LYS A 12 1.802 -8.860 6.330 1.00 0.00 C ATOM 168 O LYS A 12 0.755 -9.337 5.892 1.00 0.00 O ATOM 169 CB LYS A 12 2.554 -6.496 6.005 1.00 0.00 C ATOM 170 CG LYS A 12 3.744 -5.627 5.638 1.00 0.00 C ATOM 171 CD LYS A 12 3.637 -5.108 4.214 1.00 0.00 C ATOM 172 CE LYS A 12 4.935 -5.313 3.447 1.00 0.00 C ATOM 173 NZ LYS A 12 4.855 -6.478 2.523 1.00 0.00 N ATOM 0 H LYS A 12 1.634 -7.206 3.789 1.00 0.00 H new ATOM 0 HA LYS A 12 3.690 -8.259 5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.645 -6.035 5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.458 -6.526 7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.809 -4.786 6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.663 -6.202 5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.824 -5.620 3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.386 -4.047 4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.166 -4.413 2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.753 -5.464 4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.712 -6.514 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.778 -7.355 3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.019 -6.380 1.912 1.00 0.00 H new ATOM 187 N TYR A 13 2.258 -9.114 7.551 1.00 0.00 N ATOM 188 CA TYR A 13 1.539 -9.990 8.469 1.00 0.00 C ATOM 189 C TYR A 13 1.306 -9.301 9.810 1.00 0.00 C ATOM 190 O TYR A 13 2.204 -8.659 10.356 1.00 0.00 O ATOM 191 CB TYR A 13 2.315 -11.291 8.679 1.00 0.00 C ATOM 192 CG TYR A 13 2.024 -12.345 7.635 1.00 0.00 C ATOM 193 CD1 TYR A 13 0.878 -13.127 7.709 1.00 0.00 C ATOM 194 CD2 TYR A 13 2.894 -12.558 6.573 1.00 0.00 C ATOM 195 CE1 TYR A 13 0.608 -14.092 6.758 1.00 0.00 C ATOM 196 CE2 TYR A 13 2.632 -13.520 5.616 1.00 0.00 C ATOM 197 CZ TYR A 13 1.488 -14.284 5.713 1.00 0.00 C ATOM 198 OH TYR A 13 1.223 -15.243 4.763 1.00 0.00 O ATOM 0 H TYR A 13 3.122 -8.726 7.929 1.00 0.00 H new ATOM 0 HA TYR A 13 0.570 -10.220 8.027 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.383 -11.072 8.674 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.076 -11.692 9.664 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.186 -12.978 8.525 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.791 -11.961 6.494 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.287 -14.692 6.832 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.319 -13.673 4.797 1.00 0.00 H new ATOM 0 HH TYR A 13 1.941 -15.249 4.096 1.00 0.00 H new ATOM 208 N VAL A 14 0.094 -9.439 10.336 1.00 0.00 N ATOM 209 CA VAL A 14 -0.259 -8.832 11.614 1.00 0.00 C ATOM 210 C VAL A 14 -1.168 -9.748 12.425 1.00 0.00 C ATOM 211 O VAL A 14 -1.817 -10.639 11.879 1.00 0.00 O ATOM 212 CB VAL A 14 -0.959 -7.475 11.417 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.457 -7.669 11.233 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.673 -6.552 12.592 1.00 0.00 C ATOM 0 H VAL A 14 -0.661 -9.966 9.897 1.00 0.00 H new ATOM 0 HA VAL A 14 0.673 -8.676 12.158 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.563 -7.009 10.514 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.935 -6.699 11.095 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.638 -8.291 10.356 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.872 -8.156 12.115 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.176 -5.598 12.436 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.040 -7.009 13.511 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.401 -6.387 12.672 1.00 0.00 H new ATOM 224 N GLY A 15 -1.211 -9.522 13.735 1.00 0.00 N ATOM 225 CA GLY A 15 -2.045 -10.335 14.601 1.00 0.00 C ATOM 226 C GLY A 15 -1.524 -10.389 16.024 1.00 0.00 C ATOM 227 O GLY A 15 -2.153 -10.982 16.901 1.00 0.00 O ATOM 0 H GLY A 15 -0.683 -8.791 14.212 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.059 -9.935 14.604 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.102 -11.347 14.200 1.00 0.00 H new ATOM 231 N LEU A 16 -0.371 -9.770 16.253 1.00 0.00 N ATOM 232 CA LEU A 16 0.236 -9.751 17.580 1.00 0.00 C ATOM 233 C LEU A 16 -0.362 -8.640 18.437 1.00 0.00 C ATOM 234 O LEU A 16 0.363 -7.857 19.050 1.00 0.00 O ATOM 235 CB LEU A 16 1.750 -9.564 17.467 1.00 0.00 C ATOM 236 CG LEU A 16 2.577 -10.845 17.341 1.00 0.00 C ATOM 237 CD1 LEU A 16 2.430 -11.699 18.590 1.00 0.00 C ATOM 238 CD2 LEU A 16 2.162 -11.628 16.105 1.00 0.00 C ATOM 0 H LEU A 16 0.162 -9.275 15.538 1.00 0.00 H new ATOM 0 HA LEU A 16 0.029 -10.707 18.061 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.955 -8.936 16.600 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.095 -9.017 18.345 1.00 0.00 H new ATOM 0 HG LEU A 16 3.626 -10.569 17.236 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.025 -12.606 18.483 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.777 -11.138 19.457 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.382 -11.966 18.727 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.761 -12.536 16.031 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.108 -11.894 16.180 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.320 -11.016 15.217 1.00 0.00 H new ATOM 250 N TRP A 17 -1.688 -8.580 18.476 1.00 0.00 N ATOM 251 CA TRP A 17 -2.384 -7.566 19.260 1.00 0.00 C ATOM 252 C TRP A 17 -1.910 -7.578 20.709 1.00 0.00 C ATOM 253 O TRP A 17 -2.208 -8.505 21.462 1.00 0.00 O ATOM 254 CB TRP A 17 -3.895 -7.796 19.203 1.00 0.00 C ATOM 255 CG TRP A 17 -4.277 -9.245 19.238 1.00 0.00 C ATOM 256 CD1 TRP A 17 -4.340 -10.049 20.340 1.00 0.00 C ATOM 257 CD2 TRP A 17 -4.647 -10.061 18.122 1.00 0.00 C ATOM 258 NE1 TRP A 17 -4.726 -11.317 19.976 1.00 0.00 N ATOM 259 CE2 TRP A 17 -4.922 -11.350 18.620 1.00 0.00 C ATOM 260 CE3 TRP A 17 -4.775 -9.829 16.750 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -5.315 -12.399 17.794 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -5.165 -10.871 15.931 1.00 0.00 C ATOM 263 CH2 TRP A 17 -5.432 -12.143 16.455 1.00 0.00 C ATOM 0 H TRP A 17 -2.303 -9.221 17.974 1.00 0.00 H new ATOM 0 HA TRP A 17 -2.156 -6.590 18.831 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -4.365 -7.283 20.042 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.290 -7.345 18.292 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.119 -9.735 21.349 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.847 -12.105 20.612 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.573 -8.852 16.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -5.520 -13.380 18.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -5.266 -10.702 14.869 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -5.736 -12.937 15.789 1.00 0.00 H new ATOM 274 N ASP A 18 -1.170 -6.543 21.093 1.00 0.00 N ATOM 275 CA ASP A 18 -0.655 -6.435 22.453 1.00 0.00 C ATOM 276 C ASP A 18 0.038 -7.726 22.877 1.00 0.00 C ATOM 277 O ASP A 18 -0.522 -8.526 23.627 1.00 0.00 O ATOM 278 CB ASP A 18 -1.790 -6.107 23.426 1.00 0.00 C ATOM 279 CG ASP A 18 -1.344 -6.161 24.874 1.00 0.00 C ATOM 280 OD1 ASP A 18 -0.257 -5.628 25.181 1.00 0.00 O ATOM 281 OD2 ASP A 18 -2.083 -6.735 25.701 1.00 0.00 O ATOM 0 H ASP A 18 -0.914 -5.768 20.482 1.00 0.00 H new ATOM 0 HA ASP A 18 0.077 -5.628 22.475 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.178 -5.113 23.205 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.609 -6.810 23.275 1.00 0.00 H new ATOM 286 N PHE A 19 1.259 -7.923 22.391 1.00 0.00 N ATOM 287 CA PHE A 19 2.028 -9.118 22.717 1.00 0.00 C ATOM 288 C PHE A 19 3.512 -8.789 22.854 1.00 0.00 C ATOM 289 O PHE A 19 4.146 -8.322 21.908 1.00 0.00 O ATOM 290 CB PHE A 19 1.828 -10.188 21.642 1.00 0.00 C ATOM 291 CG PHE A 19 1.436 -11.528 22.195 1.00 0.00 C ATOM 292 CD1 PHE A 19 0.344 -11.652 23.039 1.00 0.00 C ATOM 293 CD2 PHE A 19 2.160 -12.665 21.872 1.00 0.00 C ATOM 294 CE1 PHE A 19 -0.020 -12.883 23.549 1.00 0.00 C ATOM 295 CE2 PHE A 19 1.801 -13.899 22.379 1.00 0.00 C ATOM 296 CZ PHE A 19 0.711 -14.008 23.220 1.00 0.00 C ATOM 0 H PHE A 19 1.737 -7.270 21.770 1.00 0.00 H new ATOM 0 HA PHE A 19 1.669 -9.501 23.672 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.060 -9.853 20.945 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.751 -10.295 21.071 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.230 -10.775 23.301 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.015 -12.585 21.216 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.875 -12.966 24.204 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.372 -14.778 22.118 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.431 -14.971 23.620 1.00 0.00 H new ATOM 306 N LYS A 20 4.059 -9.036 24.040 1.00 0.00 N ATOM 307 CA LYS A 20 5.468 -8.768 24.303 1.00 0.00 C ATOM 308 C LYS A 20 6.124 -9.951 25.007 1.00 0.00 C ATOM 309 O LYS A 20 5.933 -10.157 26.205 1.00 0.00 O ATOM 310 CB LYS A 20 5.617 -7.506 25.157 1.00 0.00 C ATOM 311 CG LYS A 20 4.828 -6.319 24.631 1.00 0.00 C ATOM 312 CD LYS A 20 5.389 -5.818 23.311 1.00 0.00 C ATOM 313 CE LYS A 20 5.512 -4.302 23.297 1.00 0.00 C ATOM 314 NZ LYS A 20 6.412 -3.809 24.377 1.00 0.00 N ATOM 0 H LYS A 20 3.548 -9.421 24.834 1.00 0.00 H new ATOM 0 HA LYS A 20 5.968 -8.614 23.347 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.292 -7.725 26.174 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.672 -7.236 25.210 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.784 -6.604 24.499 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.848 -5.514 25.365 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.368 -6.265 23.137 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.742 -6.139 22.494 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.894 -3.977 22.329 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.524 -3.856 23.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.886 -2.938 24.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.853 -3.610 25.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.126 -4.534 24.592 1.00 0.00 H new ATOM 328 N SER A 21 6.900 -10.725 24.255 1.00 0.00 N ATOM 329 CA SER A 21 7.583 -11.889 24.806 1.00 0.00 C ATOM 330 C SER A 21 8.966 -11.511 25.328 1.00 0.00 C ATOM 331 O SER A 21 9.357 -10.344 25.292 1.00 0.00 O ATOM 332 CB SER A 21 7.708 -12.984 23.745 1.00 0.00 C ATOM 333 OG SER A 21 6.817 -14.054 24.008 1.00 0.00 O ATOM 0 H SER A 21 7.071 -10.567 23.262 1.00 0.00 H new ATOM 0 HA SER A 21 6.990 -12.266 25.639 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.499 -12.566 22.760 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.732 -13.357 23.722 1.00 0.00 H new ATOM 0 HG SER A 21 7.327 -14.844 24.286 1.00 0.00 H new ATOM 339 N ARG A 22 9.701 -12.506 25.814 1.00 0.00 N ATOM 340 CA ARG A 22 11.039 -12.278 26.345 1.00 0.00 C ATOM 341 C ARG A 22 12.031 -13.286 25.770 1.00 0.00 C ATOM 342 O ARG A 22 13.099 -13.516 26.337 1.00 0.00 O ATOM 343 CB ARG A 22 11.028 -12.372 27.872 1.00 0.00 C ATOM 344 CG ARG A 22 9.901 -11.587 28.522 1.00 0.00 C ATOM 345 CD ARG A 22 10.063 -10.091 28.299 1.00 0.00 C ATOM 346 NE ARG A 22 10.823 -9.458 29.373 1.00 0.00 N ATOM 347 CZ ARG A 22 10.320 -9.195 30.574 1.00 0.00 C ATOM 348 NH1 ARG A 22 9.062 -9.510 30.853 1.00 0.00 N ATOM 349 NH2 ARG A 22 11.075 -8.616 31.499 1.00 0.00 N ATOM 0 H ARG A 22 9.392 -13.477 25.851 1.00 0.00 H new ATOM 0 HA ARG A 22 11.353 -11.276 26.052 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.945 -13.419 28.163 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.981 -12.009 28.257 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.945 -11.915 28.114 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.880 -11.796 29.591 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.567 -9.919 27.348 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.080 -9.626 28.228 1.00 0.00 H new ATOM 0 HE ARG A 22 11.794 -9.204 29.191 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.479 -9.955 30.145 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.678 -9.307 31.776 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.043 -8.372 31.288 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.688 -8.415 32.421 1.00 0.00 H new ATOM 363 N THR A 23 11.669 -13.886 24.640 1.00 0.00 N ATOM 364 CA THR A 23 12.524 -14.871 23.990 1.00 0.00 C ATOM 365 C THR A 23 12.375 -14.812 22.474 1.00 0.00 C ATOM 366 O THR A 23 11.365 -14.333 21.958 1.00 0.00 O ATOM 367 CB THR A 23 12.205 -16.298 24.471 1.00 0.00 C ATOM 368 OG1 THR A 23 10.848 -16.371 24.922 1.00 0.00 O ATOM 369 CG2 THR A 23 13.141 -16.712 25.596 1.00 0.00 C ATOM 0 H THR A 23 10.789 -13.707 24.156 1.00 0.00 H new ATOM 0 HA THR A 23 13.551 -14.626 24.262 1.00 0.00 H new ATOM 0 HB THR A 23 12.346 -16.980 23.633 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.698 -17.230 25.370 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.896 -17.724 25.919 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.171 -16.684 25.241 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.027 -16.026 26.435 1.00 0.00 H new ATOM 377 N ASP A 24 13.386 -15.303 21.765 1.00 0.00 N ATOM 378 CA ASP A 24 13.366 -15.308 20.307 1.00 0.00 C ATOM 379 C ASP A 24 12.193 -16.130 19.782 1.00 0.00 C ATOM 380 O ASP A 24 11.784 -15.980 18.632 1.00 0.00 O ATOM 381 CB ASP A 24 14.681 -15.866 19.760 1.00 0.00 C ATOM 382 CG ASP A 24 14.785 -17.370 19.926 1.00 0.00 C ATOM 383 OD1 ASP A 24 15.249 -17.818 20.995 1.00 0.00 O ATOM 384 OD2 ASP A 24 14.402 -18.098 18.986 1.00 0.00 O ATOM 0 H ASP A 24 14.229 -15.703 22.177 1.00 0.00 H new ATOM 0 HA ASP A 24 13.247 -14.280 19.966 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.768 -15.613 18.703 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.516 -15.388 20.272 1.00 0.00 H new ATOM 389 N GLU A 25 11.658 -16.999 20.635 1.00 0.00 N ATOM 390 CA GLU A 25 10.533 -17.846 20.255 1.00 0.00 C ATOM 391 C GLU A 25 9.311 -17.002 19.904 1.00 0.00 C ATOM 392 O GLU A 25 8.378 -17.481 19.260 1.00 0.00 O ATOM 393 CB GLU A 25 10.189 -18.814 21.389 1.00 0.00 C ATOM 394 CG GLU A 25 10.073 -18.143 22.748 1.00 0.00 C ATOM 395 CD GLU A 25 8.805 -18.532 23.484 1.00 0.00 C ATOM 396 OE1 GLU A 25 8.293 -19.643 23.237 1.00 0.00 O ATOM 397 OE2 GLU A 25 8.326 -17.724 24.307 1.00 0.00 O ATOM 0 H GLU A 25 11.985 -17.135 21.592 1.00 0.00 H new ATOM 0 HA GLU A 25 10.823 -18.418 19.374 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.247 -19.312 21.157 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.955 -19.588 21.440 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.938 -18.409 23.356 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.096 -17.061 22.618 1.00 0.00 H new ATOM 404 N GLU A 26 9.324 -15.744 20.334 1.00 0.00 N ATOM 405 CA GLU A 26 8.217 -14.834 20.066 1.00 0.00 C ATOM 406 C GLU A 26 8.720 -13.406 19.875 1.00 0.00 C ATOM 407 O GLU A 26 9.807 -13.052 20.333 1.00 0.00 O ATOM 408 CB GLU A 26 7.202 -14.880 21.210 1.00 0.00 C ATOM 409 CG GLU A 26 6.177 -15.993 21.070 1.00 0.00 C ATOM 410 CD GLU A 26 4.778 -15.550 21.454 1.00 0.00 C ATOM 411 OE1 GLU A 26 4.559 -15.242 22.643 1.00 0.00 O ATOM 412 OE2 GLU A 26 3.903 -15.512 20.563 1.00 0.00 O ATOM 0 H GLU A 26 10.089 -15.332 20.869 1.00 0.00 H new ATOM 0 HA GLU A 26 7.731 -15.156 19.145 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.735 -15.005 22.153 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.682 -13.923 21.262 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.171 -16.349 20.040 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.472 -16.835 21.697 1.00 0.00 H new ATOM 419 N LEU A 27 7.921 -12.590 19.196 1.00 0.00 N ATOM 420 CA LEU A 27 8.284 -11.200 18.943 1.00 0.00 C ATOM 421 C LEU A 27 7.757 -10.290 20.048 1.00 0.00 C ATOM 422 O LEU A 27 6.792 -10.625 20.734 1.00 0.00 O ATOM 423 CB LEU A 27 7.736 -10.747 17.589 1.00 0.00 C ATOM 424 CG LEU A 27 8.055 -11.652 16.398 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.841 -12.489 16.024 1.00 0.00 C ATOM 426 CD2 LEU A 27 8.522 -10.825 15.210 1.00 0.00 C ATOM 0 H LEU A 27 7.018 -12.867 18.811 1.00 0.00 H new ATOM 0 HA LEU A 27 9.372 -11.131 18.929 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.653 -10.656 17.670 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.125 -9.751 17.377 1.00 0.00 H new ATOM 0 HG LEU A 27 8.862 -12.327 16.684 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.086 -13.127 15.175 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.552 -13.110 16.872 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.014 -11.831 15.757 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.744 -11.485 14.372 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.737 -10.126 14.922 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.420 -10.270 15.483 1.00 0.00 H new ATOM 438 N SER A 28 8.397 -9.137 20.213 1.00 0.00 N ATOM 439 CA SER A 28 7.994 -8.179 21.236 1.00 0.00 C ATOM 440 C SER A 28 7.561 -6.859 20.604 1.00 0.00 C ATOM 441 O SER A 28 8.361 -5.934 20.461 1.00 0.00 O ATOM 442 CB SER A 28 9.143 -7.935 22.217 1.00 0.00 C ATOM 443 OG SER A 28 10.395 -7.970 21.555 1.00 0.00 O ATOM 0 H SER A 28 9.196 -8.843 19.652 1.00 0.00 H new ATOM 0 HA SER A 28 7.146 -8.598 21.777 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.012 -6.968 22.702 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.122 -8.691 23.002 1.00 0.00 H new ATOM 0 HG SER A 28 11.112 -7.810 22.203 1.00 0.00 H new ATOM 449 N PHE A 29 6.290 -6.780 20.226 1.00 0.00 N ATOM 450 CA PHE A 29 5.749 -5.576 19.608 1.00 0.00 C ATOM 451 C PHE A 29 4.243 -5.477 19.834 1.00 0.00 C ATOM 452 O PHE A 29 3.593 -6.459 20.192 1.00 0.00 O ATOM 453 CB PHE A 29 6.052 -5.566 18.108 1.00 0.00 C ATOM 454 CG PHE A 29 7.309 -4.823 17.756 1.00 0.00 C ATOM 455 CD1 PHE A 29 7.290 -3.450 17.571 1.00 0.00 C ATOM 456 CD2 PHE A 29 8.510 -5.498 17.608 1.00 0.00 C ATOM 457 CE1 PHE A 29 8.445 -2.764 17.247 1.00 0.00 C ATOM 458 CE2 PHE A 29 9.668 -4.817 17.285 1.00 0.00 C ATOM 459 CZ PHE A 29 9.635 -3.448 17.102 1.00 0.00 C ATOM 0 H PHE A 29 5.615 -7.536 20.337 1.00 0.00 H new ATOM 0 HA PHE A 29 6.226 -4.714 20.074 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.136 -6.594 17.755 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.213 -5.115 17.579 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.362 -2.910 17.681 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.541 -6.569 17.747 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.417 -1.693 17.107 1.00 0.00 H new ATOM 0 HE2 PHE A 29 10.598 -5.355 17.176 1.00 0.00 H new ATOM 0 HZ PHE A 29 10.538 -2.914 16.846 1.00 0.00 H new ATOM 469 N ARG A 30 3.696 -4.284 19.624 1.00 0.00 N ATOM 470 CA ARG A 30 2.268 -4.056 19.806 1.00 0.00 C ATOM 471 C ARG A 30 1.517 -4.225 18.488 1.00 0.00 C ATOM 472 O ARG A 30 2.126 -4.310 17.422 1.00 0.00 O ATOM 473 CB ARG A 30 2.021 -2.655 20.369 1.00 0.00 C ATOM 474 CG ARG A 30 2.410 -1.538 19.415 1.00 0.00 C ATOM 475 CD ARG A 30 2.397 -0.184 20.107 1.00 0.00 C ATOM 476 NE ARG A 30 2.312 0.918 19.152 1.00 0.00 N ATOM 477 CZ ARG A 30 1.204 1.232 18.490 1.00 0.00 C ATOM 478 NH1 ARG A 30 0.094 0.531 18.677 1.00 0.00 N ATOM 479 NH2 ARG A 30 1.205 2.249 17.638 1.00 0.00 N ATOM 0 H ARG A 30 4.220 -3.461 19.328 1.00 0.00 H new ATOM 0 HA ARG A 30 1.896 -4.796 20.514 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.965 -2.555 20.621 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.582 -2.541 21.296 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.404 -1.732 19.012 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.721 -1.523 18.571 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.551 -0.135 20.793 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.300 -0.075 20.707 1.00 0.00 H new ATOM 0 HE ARG A 30 3.149 1.477 18.984 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.089 -0.252 19.331 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.755 0.775 18.167 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.057 2.790 17.491 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.354 2.490 17.130 1.00 0.00 H new ATOM 493 N ALA A 31 0.192 -4.274 18.570 1.00 0.00 N ATOM 494 CA ALA A 31 -0.641 -4.431 17.385 1.00 0.00 C ATOM 495 C ALA A 31 -0.263 -3.419 16.309 1.00 0.00 C ATOM 496 O ALA A 31 0.300 -2.366 16.605 1.00 0.00 O ATOM 497 CB ALA A 31 -2.112 -4.292 17.751 1.00 0.00 C ATOM 0 H ALA A 31 -0.328 -4.207 19.445 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.471 -5.430 16.982 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.723 -4.412 16.856 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.380 -5.059 18.478 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.288 -3.306 18.181 1.00 0.00 H new ATOM 503 N GLY A 32 -0.576 -3.745 15.059 1.00 0.00 N ATOM 504 CA GLY A 32 -0.261 -2.853 13.958 1.00 0.00 C ATOM 505 C GLY A 32 1.081 -3.165 13.326 1.00 0.00 C ATOM 506 O GLY A 32 1.310 -2.858 12.156 1.00 0.00 O ATOM 0 H GLY A 32 -1.042 -4.611 14.789 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.042 -2.926 13.201 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.260 -1.824 14.317 1.00 0.00 H new ATOM 510 N ASP A 33 1.971 -3.776 14.100 1.00 0.00 N ATOM 511 CA ASP A 33 3.297 -4.129 13.609 1.00 0.00 C ATOM 512 C ASP A 33 3.207 -5.188 12.514 1.00 0.00 C ATOM 513 O ASP A 33 2.489 -6.178 12.652 1.00 0.00 O ATOM 514 CB ASP A 33 4.171 -4.638 14.757 1.00 0.00 C ATOM 515 CG ASP A 33 4.919 -3.519 15.455 1.00 0.00 C ATOM 516 OD1 ASP A 33 6.016 -3.154 14.983 1.00 0.00 O ATOM 517 OD2 ASP A 33 4.407 -3.008 16.473 1.00 0.00 O ATOM 0 H ASP A 33 1.798 -4.037 15.071 1.00 0.00 H new ATOM 0 HA ASP A 33 3.751 -3.233 13.187 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.546 -5.161 15.481 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.887 -5.364 14.371 1.00 0.00 H new ATOM 522 N VAL A 34 3.941 -4.972 11.427 1.00 0.00 N ATOM 523 CA VAL A 34 3.944 -5.907 10.309 1.00 0.00 C ATOM 524 C VAL A 34 5.192 -6.783 10.328 1.00 0.00 C ATOM 525 O VAL A 34 6.228 -6.394 10.868 1.00 0.00 O ATOM 526 CB VAL A 34 3.869 -5.169 8.959 1.00 0.00 C ATOM 527 CG1 VAL A 34 2.492 -4.553 8.763 1.00 0.00 C ATOM 528 CG2 VAL A 34 4.954 -4.107 8.872 1.00 0.00 C ATOM 0 H VAL A 34 4.541 -4.158 11.297 1.00 0.00 H new ATOM 0 HA VAL A 34 3.060 -6.536 10.420 1.00 0.00 H new ATOM 0 HB VAL A 34 4.035 -5.892 8.160 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.458 -4.036 7.804 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.736 -5.338 8.779 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.294 -3.843 9.566 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.886 -3.596 7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.822 -3.385 9.678 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.933 -4.578 8.964 1.00 0.00 H new ATOM 538 N PHE A 35 5.087 -7.967 9.734 1.00 0.00 N ATOM 539 CA PHE A 35 6.207 -8.899 9.683 1.00 0.00 C ATOM 540 C PHE A 35 6.190 -9.699 8.384 1.00 0.00 C ATOM 541 O PHE A 35 5.186 -9.726 7.671 1.00 0.00 O ATOM 542 CB PHE A 35 6.162 -9.849 10.881 1.00 0.00 C ATOM 543 CG PHE A 35 5.889 -9.157 12.186 1.00 0.00 C ATOM 544 CD1 PHE A 35 4.590 -8.885 12.582 1.00 0.00 C ATOM 545 CD2 PHE A 35 6.932 -8.779 13.016 1.00 0.00 C ATOM 546 CE1 PHE A 35 4.336 -8.247 13.781 1.00 0.00 C ATOM 547 CE2 PHE A 35 6.684 -8.141 14.217 1.00 0.00 C ATOM 548 CZ PHE A 35 5.384 -7.876 14.601 1.00 0.00 C ATOM 0 H PHE A 35 4.237 -8.304 9.281 1.00 0.00 H new ATOM 0 HA PHE A 35 7.130 -8.321 9.721 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.391 -10.601 10.710 1.00 0.00 H new ATOM 0 HB3 PHE A 35 7.113 -10.377 10.951 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.766 -9.175 11.946 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.950 -8.985 12.721 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.319 -8.038 14.077 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.506 -7.850 14.854 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.187 -7.380 15.540 1.00 0.00 H new ATOM 558 N HIS A 36 7.309 -10.350 8.082 1.00 0.00 N ATOM 559 CA HIS A 36 7.424 -11.151 6.869 1.00 0.00 C ATOM 560 C HIS A 36 7.720 -12.609 7.207 1.00 0.00 C ATOM 561 O HIS A 36 8.599 -12.903 8.017 1.00 0.00 O ATOM 562 CB HIS A 36 8.522 -10.591 5.964 1.00 0.00 C ATOM 563 CG HIS A 36 8.136 -9.324 5.267 1.00 0.00 C ATOM 564 ND1 HIS A 36 8.260 -9.146 3.905 1.00 0.00 N ATOM 565 CD2 HIS A 36 7.624 -8.168 5.750 1.00 0.00 C ATOM 566 CE1 HIS A 36 7.842 -7.935 3.581 1.00 0.00 C ATOM 567 NE2 HIS A 36 7.451 -7.321 4.683 1.00 0.00 N ATOM 0 H HIS A 36 8.149 -10.338 8.661 1.00 0.00 H new ATOM 0 HA HIS A 36 6.471 -11.105 6.341 1.00 0.00 H new ATOM 0 HB2 HIS A 36 9.416 -10.410 6.561 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.784 -11.341 5.218 1.00 0.00 H new ATOM 0 HD1 HIS A 36 8.618 -9.841 3.250 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.394 -7.952 6.783 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.823 -7.518 2.585 1.00 0.00 H new ATOM 575 N VAL A 37 6.981 -13.519 6.580 1.00 0.00 N ATOM 576 CA VAL A 37 7.165 -14.946 6.814 1.00 0.00 C ATOM 577 C VAL A 37 8.331 -15.491 5.998 1.00 0.00 C ATOM 578 O VAL A 37 8.368 -15.348 4.777 1.00 0.00 O ATOM 579 CB VAL A 37 5.892 -15.741 6.465 1.00 0.00 C ATOM 580 CG1 VAL A 37 4.755 -15.369 7.404 1.00 0.00 C ATOM 581 CG2 VAL A 37 5.497 -15.502 5.015 1.00 0.00 C ATOM 0 H VAL A 37 6.249 -13.293 5.906 1.00 0.00 H new ATOM 0 HA VAL A 37 7.380 -15.067 7.876 1.00 0.00 H new ATOM 0 HB VAL A 37 6.102 -16.803 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.865 -15.941 7.142 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.042 -15.595 8.431 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.542 -14.304 7.313 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.596 -16.071 4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.305 -14.440 4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.306 -15.824 4.360 1.00 0.00 H new ATOM 591 N ALA A 38 9.283 -16.118 6.682 1.00 0.00 N ATOM 592 CA ALA A 38 10.450 -16.688 6.020 1.00 0.00 C ATOM 593 C ALA A 38 10.319 -18.200 5.882 1.00 0.00 C ATOM 594 O ALA A 38 10.908 -18.804 4.985 1.00 0.00 O ATOM 595 CB ALA A 38 11.716 -16.334 6.787 1.00 0.00 C ATOM 0 H ALA A 38 9.269 -16.244 7.694 1.00 0.00 H new ATOM 0 HA ALA A 38 10.513 -16.263 5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.580 -16.766 6.282 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.825 -15.250 6.829 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.651 -16.732 7.800 1.00 0.00 H new ATOM 601 N ARG A 39 9.543 -18.807 6.775 1.00 0.00 N ATOM 602 CA ARG A 39 9.337 -20.250 6.752 1.00 0.00 C ATOM 603 C ARG A 39 7.969 -20.612 7.324 1.00 0.00 C ATOM 604 O ARG A 39 7.649 -20.270 8.462 1.00 0.00 O ATOM 605 CB ARG A 39 10.437 -20.956 7.547 1.00 0.00 C ATOM 606 CG ARG A 39 11.642 -21.343 6.706 1.00 0.00 C ATOM 607 CD ARG A 39 11.306 -22.462 5.732 1.00 0.00 C ATOM 608 NE ARG A 39 12.144 -22.417 4.537 1.00 0.00 N ATOM 609 CZ ARG A 39 11.951 -23.191 3.475 1.00 0.00 C ATOM 610 NH1 ARG A 39 10.955 -24.065 3.460 1.00 0.00 N ATOM 611 NH2 ARG A 39 12.756 -23.091 2.425 1.00 0.00 N ATOM 0 H ARG A 39 9.047 -18.322 7.523 1.00 0.00 H new ATOM 0 HA ARG A 39 9.378 -20.582 5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.764 -20.304 8.357 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.022 -21.853 8.007 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.996 -20.473 6.154 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.456 -21.659 7.358 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.433 -23.424 6.228 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.258 -22.388 5.443 1.00 0.00 H new ATOM 0 HE ARG A 39 12.920 -21.755 4.517 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.334 -24.145 4.265 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.809 -24.658 2.643 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.524 -22.419 2.433 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.607 -23.686 1.610 1.00 0.00 H new ATOM 625 N LYS A 40 7.165 -21.306 6.526 1.00 0.00 N ATOM 626 CA LYS A 40 5.832 -21.717 6.951 1.00 0.00 C ATOM 627 C LYS A 40 5.788 -23.215 7.232 1.00 0.00 C ATOM 628 O LYS A 40 6.005 -24.030 6.336 1.00 0.00 O ATOM 629 CB LYS A 40 4.800 -21.357 5.880 1.00 0.00 C ATOM 630 CG LYS A 40 5.216 -21.757 4.475 1.00 0.00 C ATOM 631 CD LYS A 40 4.167 -21.362 3.449 1.00 0.00 C ATOM 632 CE LYS A 40 4.327 -19.912 3.018 1.00 0.00 C ATOM 633 NZ LYS A 40 3.116 -19.406 2.314 1.00 0.00 N ATOM 0 H LYS A 40 7.414 -21.596 5.580 1.00 0.00 H new ATOM 0 HA LYS A 40 5.591 -21.186 7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.854 -21.842 6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.623 -20.282 5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.166 -21.283 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.378 -22.834 4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.246 -22.012 2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.172 -21.510 3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.524 -19.293 3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.193 -19.821 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.265 -18.415 2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.942 -19.981 1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.294 -19.468 2.948 1.00 0.00 H new ATOM 647 N GLU A 41 5.504 -23.570 8.481 1.00 0.00 N ATOM 648 CA GLU A 41 5.431 -24.972 8.878 1.00 0.00 C ATOM 649 C GLU A 41 3.992 -25.375 9.189 1.00 0.00 C ATOM 650 O GLU A 41 3.093 -24.535 9.208 1.00 0.00 O ATOM 651 CB GLU A 41 6.319 -25.226 10.098 1.00 0.00 C ATOM 652 CG GLU A 41 7.492 -26.149 9.816 1.00 0.00 C ATOM 653 CD GLU A 41 8.645 -25.436 9.137 1.00 0.00 C ATOM 654 OE1 GLU A 41 9.227 -24.524 9.761 1.00 0.00 O ATOM 655 OE2 GLU A 41 8.966 -25.790 7.983 1.00 0.00 O ATOM 0 H GLU A 41 5.321 -22.908 9.235 1.00 0.00 H new ATOM 0 HA GLU A 41 5.788 -25.578 8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.698 -24.272 10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.712 -25.656 10.895 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.840 -26.585 10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.158 -26.973 9.186 1.00 0.00 H new ATOM 662 N GLU A 42 3.785 -26.665 9.431 1.00 0.00 N ATOM 663 CA GLU A 42 2.456 -27.179 9.740 1.00 0.00 C ATOM 664 C GLU A 42 2.031 -26.779 11.149 1.00 0.00 C ATOM 665 O GLU A 42 0.860 -26.893 11.511 1.00 0.00 O ATOM 666 CB GLU A 42 2.429 -28.703 9.601 1.00 0.00 C ATOM 667 CG GLU A 42 3.142 -29.429 10.730 1.00 0.00 C ATOM 668 CD GLU A 42 3.068 -30.937 10.591 1.00 0.00 C ATOM 669 OE1 GLU A 42 1.947 -31.466 10.441 1.00 0.00 O ATOM 670 OE2 GLU A 42 4.133 -31.589 10.633 1.00 0.00 O ATOM 0 H GLU A 42 4.519 -27.373 9.419 1.00 0.00 H new ATOM 0 HA GLU A 42 1.753 -26.744 9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.392 -29.038 9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.889 -28.981 8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.187 -29.121 10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.702 -29.133 11.682 1.00 0.00 H new ATOM 677 N GLN A 43 2.991 -26.310 11.940 1.00 0.00 N ATOM 678 CA GLN A 43 2.717 -25.893 13.310 1.00 0.00 C ATOM 679 C GLN A 43 2.793 -24.376 13.443 1.00 0.00 C ATOM 680 O GLN A 43 1.769 -23.701 13.552 1.00 0.00 O ATOM 681 CB GLN A 43 3.706 -26.552 14.273 1.00 0.00 C ATOM 682 CG GLN A 43 3.262 -27.924 14.756 1.00 0.00 C ATOM 683 CD GLN A 43 2.906 -27.937 16.229 1.00 0.00 C ATOM 684 OE1 GLN A 43 2.128 -27.106 16.699 1.00 0.00 O ATOM 685 NE2 GLN A 43 3.473 -28.884 16.967 1.00 0.00 N ATOM 0 H GLN A 43 3.965 -26.209 11.655 1.00 0.00 H new ATOM 0 HA GLN A 43 1.706 -26.211 13.565 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.674 -26.645 13.780 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.849 -25.901 15.135 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.399 -28.248 14.175 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.059 -28.645 14.572 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.112 -29.552 16.536 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.270 -28.943 17.965 1.00 0.00 H new ATOM 694 N TRP A 44 4.011 -23.847 13.435 1.00 0.00 N ATOM 695 CA TRP A 44 4.220 -22.409 13.555 1.00 0.00 C ATOM 696 C TRP A 44 5.137 -21.897 12.450 1.00 0.00 C ATOM 697 O TRP A 44 5.899 -22.663 11.859 1.00 0.00 O ATOM 698 CB TRP A 44 4.815 -22.072 14.924 1.00 0.00 C ATOM 699 CG TRP A 44 6.081 -22.817 15.221 1.00 0.00 C ATOM 700 CD1 TRP A 44 7.265 -22.723 14.546 1.00 0.00 C ATOM 701 CD2 TRP A 44 6.290 -23.770 16.269 1.00 0.00 C ATOM 702 NE1 TRP A 44 8.196 -23.560 15.111 1.00 0.00 N ATOM 703 CE2 TRP A 44 7.623 -24.213 16.170 1.00 0.00 C ATOM 704 CE3 TRP A 44 5.480 -24.290 17.283 1.00 0.00 C ATOM 705 CZ2 TRP A 44 8.162 -25.152 17.046 1.00 0.00 C ATOM 706 CZ3 TRP A 44 6.017 -25.222 18.151 1.00 0.00 C ATOM 707 CH2 TRP A 44 7.347 -25.644 18.029 1.00 0.00 C ATOM 0 H TRP A 44 4.869 -24.392 13.347 1.00 0.00 H new ATOM 0 HA TRP A 44 3.252 -21.917 13.455 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.012 -21.001 14.973 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.080 -22.296 15.697 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.443 -22.084 13.693 1.00 0.00 H new ATOM 0 HE1 TRP A 44 9.158 -23.676 14.793 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.454 -23.969 17.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 9.187 -25.480 16.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.400 -25.632 18.937 1.00 0.00 H new ATOM 0 HH2 TRP A 44 7.737 -26.372 18.725 1.00 0.00 H new ATOM 718 N TRP A 45 5.058 -20.601 12.175 1.00 0.00 N ATOM 719 CA TRP A 45 5.882 -19.988 11.139 1.00 0.00 C ATOM 720 C TRP A 45 6.845 -18.970 11.740 1.00 0.00 C ATOM 721 O TRP A 45 6.568 -18.383 12.785 1.00 0.00 O ATOM 722 CB TRP A 45 4.999 -19.313 10.088 1.00 0.00 C ATOM 723 CG TRP A 45 3.695 -18.818 10.638 1.00 0.00 C ATOM 724 CD1 TRP A 45 3.521 -17.938 11.668 1.00 0.00 C ATOM 725 CD2 TRP A 45 2.384 -19.176 10.188 1.00 0.00 C ATOM 726 NE1 TRP A 45 2.181 -17.728 11.885 1.00 0.00 N ATOM 727 CE2 TRP A 45 1.462 -18.475 10.990 1.00 0.00 C ATOM 728 CE3 TRP A 45 1.899 -20.019 9.184 1.00 0.00 C ATOM 729 CZ2 TRP A 45 0.086 -18.594 10.818 1.00 0.00 C ATOM 730 CZ3 TRP A 45 0.532 -20.136 9.016 1.00 0.00 C ATOM 731 CH2 TRP A 45 -0.362 -19.426 9.828 1.00 0.00 C ATOM 0 H TRP A 45 4.432 -19.954 12.654 1.00 0.00 H new ATOM 0 HA TRP A 45 6.466 -20.775 10.662 1.00 0.00 H new ATOM 0 HB2 TRP A 45 5.542 -18.475 9.651 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.801 -20.020 9.282 1.00 0.00 H new ATOM 0 HD1 TRP A 45 4.319 -17.475 12.229 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.785 -17.115 12.598 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.580 -20.569 8.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.604 -18.049 11.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 0.146 -20.786 8.245 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.425 -19.537 9.670 1.00 0.00 H new ATOM 742 N TRP A 46 7.976 -18.768 11.074 1.00 0.00 N ATOM 743 CA TRP A 46 8.980 -17.820 11.544 1.00 0.00 C ATOM 744 C TRP A 46 8.718 -16.426 10.985 1.00 0.00 C ATOM 745 O TRP A 46 8.868 -16.190 9.786 1.00 0.00 O ATOM 746 CB TRP A 46 10.380 -18.288 11.143 1.00 0.00 C ATOM 747 CG TRP A 46 11.027 -19.173 12.166 1.00 0.00 C ATOM 748 CD1 TRP A 46 10.582 -20.391 12.595 1.00 0.00 C ATOM 749 CD2 TRP A 46 12.233 -18.907 12.889 1.00 0.00 C ATOM 750 NE1 TRP A 46 11.439 -20.898 13.541 1.00 0.00 N ATOM 751 CE2 TRP A 46 12.461 -20.007 13.739 1.00 0.00 C ATOM 752 CE3 TRP A 46 13.144 -17.847 12.901 1.00 0.00 C ATOM 753 CZ2 TRP A 46 13.560 -20.075 14.590 1.00 0.00 C ATOM 754 CZ3 TRP A 46 14.235 -17.916 13.746 1.00 0.00 C ATOM 755 CH2 TRP A 46 14.436 -19.024 14.580 1.00 0.00 C ATOM 0 H TRP A 46 8.221 -19.247 10.208 1.00 0.00 H new ATOM 0 HA TRP A 46 8.917 -17.773 12.631 1.00 0.00 H new ATOM 0 HB2 TRP A 46 10.319 -18.824 10.196 1.00 0.00 H new ATOM 0 HB3 TRP A 46 11.012 -17.416 10.975 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.688 -20.883 12.242 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.332 -21.793 14.019 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.998 -16.989 12.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.716 -20.927 15.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 14.945 -17.102 13.764 1.00 0.00 H new ATOM 0 HH2 TRP A 46 15.300 -19.049 15.228 1.00 0.00 H new ATOM 766 N ALA A 47 8.325 -15.506 11.860 1.00 0.00 N ATOM 767 CA ALA A 47 8.043 -14.135 11.453 1.00 0.00 C ATOM 768 C ALA A 47 9.231 -13.223 11.741 1.00 0.00 C ATOM 769 O ALA A 47 9.890 -13.350 12.774 1.00 0.00 O ATOM 770 CB ALA A 47 6.797 -13.621 12.158 1.00 0.00 C ATOM 0 H ALA A 47 8.195 -15.686 12.856 1.00 0.00 H new ATOM 0 HA ALA A 47 7.866 -14.130 10.377 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.598 -12.596 11.845 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.946 -14.251 11.899 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.952 -13.647 13.237 1.00 0.00 H new ATOM 776 N THR A 48 9.500 -12.301 10.821 1.00 0.00 N ATOM 777 CA THR A 48 10.609 -11.368 10.975 1.00 0.00 C ATOM 778 C THR A 48 10.167 -9.937 10.693 1.00 0.00 C ATOM 779 O THR A 48 9.701 -9.625 9.596 1.00 0.00 O ATOM 780 CB THR A 48 11.778 -11.727 10.039 1.00 0.00 C ATOM 781 OG1 THR A 48 12.156 -13.095 10.228 1.00 0.00 O ATOM 782 CG2 THR A 48 12.976 -10.825 10.299 1.00 0.00 C ATOM 0 H THR A 48 8.964 -12.181 9.961 1.00 0.00 H new ATOM 0 HA THR A 48 10.945 -11.444 12.009 1.00 0.00 H new ATOM 0 HB THR A 48 11.448 -11.581 9.010 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.899 -13.315 9.628 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.789 -11.097 9.626 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.694 -9.786 10.126 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.304 -10.944 11.332 1.00 0.00 H new ATOM 790 N LEU A 49 10.315 -9.070 11.688 1.00 0.00 N ATOM 791 CA LEU A 49 9.932 -7.669 11.546 1.00 0.00 C ATOM 792 C LEU A 49 11.003 -6.885 10.796 1.00 0.00 C ATOM 793 O LEU A 49 12.123 -6.722 11.282 1.00 0.00 O ATOM 794 CB LEU A 49 9.694 -7.043 12.921 1.00 0.00 C ATOM 795 CG LEU A 49 8.635 -5.942 12.983 1.00 0.00 C ATOM 796 CD1 LEU A 49 8.442 -5.467 14.415 1.00 0.00 C ATOM 797 CD2 LEU A 49 9.023 -4.779 12.081 1.00 0.00 C ATOM 0 H LEU A 49 10.697 -9.312 12.602 1.00 0.00 H new ATOM 0 HA LEU A 49 9.008 -7.627 10.970 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.407 -7.834 13.614 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.638 -6.632 13.279 1.00 0.00 H new ATOM 0 HG LEU A 49 7.690 -6.352 12.628 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.685 -4.683 14.439 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.119 -6.303 15.035 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.384 -5.074 14.798 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.258 -4.004 12.137 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.979 -4.369 12.407 1.00 0.00 H new ATOM 0 HD23 LEU A 49 9.110 -5.129 11.053 1.00 0.00 H new ATOM 809 N LEU A 50 10.652 -6.398 9.611 1.00 0.00 N ATOM 810 CA LEU A 50 11.583 -5.627 8.793 1.00 0.00 C ATOM 811 C LEU A 50 11.233 -4.143 8.823 1.00 0.00 C ATOM 812 O LEU A 50 10.085 -3.770 9.066 1.00 0.00 O ATOM 813 CB LEU A 50 11.569 -6.138 7.351 1.00 0.00 C ATOM 814 CG LEU A 50 11.137 -7.592 7.158 1.00 0.00 C ATOM 815 CD1 LEU A 50 11.122 -7.952 5.680 1.00 0.00 C ATOM 816 CD2 LEU A 50 12.057 -8.528 7.927 1.00 0.00 C ATOM 0 H LEU A 50 9.729 -6.523 9.195 1.00 0.00 H new ATOM 0 HA LEU A 50 12.583 -5.754 9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.903 -5.502 6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.569 -6.019 6.935 1.00 0.00 H new ATOM 0 HG LEU A 50 10.126 -7.706 7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.812 -8.990 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.422 -7.302 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 50 12.121 -7.822 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.735 -9.559 7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.079 -8.412 7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.018 -8.285 8.989 1.00 0.00 H new ATOM 828 N ASP A 51 12.229 -3.301 8.572 1.00 0.00 N ATOM 829 CA ASP A 51 12.026 -1.857 8.566 1.00 0.00 C ATOM 830 C ASP A 51 11.292 -1.416 7.304 1.00 0.00 C ATOM 831 O ASP A 51 10.952 -2.238 6.454 1.00 0.00 O ATOM 832 CB ASP A 51 13.369 -1.131 8.670 1.00 0.00 C ATOM 833 CG ASP A 51 13.275 0.146 9.480 1.00 0.00 C ATOM 834 OD1 ASP A 51 12.819 0.081 10.641 1.00 0.00 O ATOM 835 OD2 ASP A 51 13.659 1.212 8.954 1.00 0.00 O ATOM 0 H ASP A 51 13.185 -3.593 8.370 1.00 0.00 H new ATOM 0 HA ASP A 51 11.414 -1.598 9.430 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.103 -1.795 9.127 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.731 -0.897 7.669 1.00 0.00 H new ATOM 840 N GLU A 52 11.050 -0.114 7.190 1.00 0.00 N ATOM 841 CA GLU A 52 10.355 0.435 6.032 1.00 0.00 C ATOM 842 C GLU A 52 11.093 0.093 4.741 1.00 0.00 C ATOM 843 O GLU A 52 10.503 0.078 3.661 1.00 0.00 O ATOM 844 CB GLU A 52 10.214 1.953 6.165 1.00 0.00 C ATOM 845 CG GLU A 52 11.539 2.694 6.106 1.00 0.00 C ATOM 846 CD GLU A 52 11.418 4.142 6.540 1.00 0.00 C ATOM 847 OE1 GLU A 52 10.845 4.946 5.774 1.00 0.00 O ATOM 848 OE2 GLU A 52 11.896 4.472 7.646 1.00 0.00 O ATOM 0 H GLU A 52 11.325 0.580 7.885 1.00 0.00 H new ATOM 0 HA GLU A 52 9.362 -0.012 5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.566 2.320 5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.721 2.182 7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.263 2.187 6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.928 2.655 5.088 1.00 0.00 H new ATOM 855 N ALA A 53 12.388 -0.180 4.862 1.00 0.00 N ATOM 856 CA ALA A 53 13.207 -0.523 3.706 1.00 0.00 C ATOM 857 C ALA A 53 12.963 -1.963 3.267 1.00 0.00 C ATOM 858 O ALA A 53 13.288 -2.343 2.143 1.00 0.00 O ATOM 859 CB ALA A 53 14.680 -0.308 4.021 1.00 0.00 C ATOM 0 H ALA A 53 12.892 -0.170 5.749 1.00 0.00 H new ATOM 0 HA ALA A 53 12.923 0.133 2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.280 -0.568 3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.848 0.738 4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.968 -0.940 4.861 1.00 0.00 H new ATOM 865 N GLY A 54 12.387 -2.760 4.163 1.00 0.00 N ATOM 866 CA GLY A 54 12.110 -4.149 3.849 1.00 0.00 C ATOM 867 C GLY A 54 13.283 -5.059 4.156 1.00 0.00 C ATOM 868 O GLY A 54 13.351 -6.184 3.663 1.00 0.00 O ATOM 0 H GLY A 54 12.108 -2.468 5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.240 -4.480 4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.854 -4.235 2.793 1.00 0.00 H new ATOM 872 N GLY A 55 14.212 -4.569 4.972 1.00 0.00 N ATOM 873 CA GLY A 55 15.377 -5.358 5.328 1.00 0.00 C ATOM 874 C GLY A 55 15.075 -6.388 6.398 1.00 0.00 C ATOM 875 O GLY A 55 14.580 -7.475 6.102 1.00 0.00 O ATOM 0 H GLY A 55 14.178 -3.640 5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.756 -5.862 4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 55 16.168 -4.695 5.679 1.00 0.00 H new ATOM 879 N ALA A 56 15.374 -6.046 7.647 1.00 0.00 N ATOM 880 CA ALA A 56 15.131 -6.948 8.766 1.00 0.00 C ATOM 881 C ALA A 56 15.519 -6.299 10.090 1.00 0.00 C ATOM 882 O ALA A 56 16.403 -5.443 10.137 1.00 0.00 O ATOM 883 CB ALA A 56 15.895 -8.249 8.569 1.00 0.00 C ATOM 0 H ALA A 56 15.785 -5.150 7.909 1.00 0.00 H new ATOM 0 HA ALA A 56 14.064 -7.167 8.799 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.705 -8.914 9.412 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.566 -8.728 7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.963 -8.038 8.507 1.00 0.00 H new ATOM 889 N VAL A 57 14.853 -6.711 11.164 1.00 0.00 N ATOM 890 CA VAL A 57 15.129 -6.170 12.489 1.00 0.00 C ATOM 891 C VAL A 57 15.148 -7.273 13.540 1.00 0.00 C ATOM 892 O VAL A 57 16.199 -7.606 14.088 1.00 0.00 O ATOM 893 CB VAL A 57 14.086 -5.110 12.891 1.00 0.00 C ATOM 894 CG1 VAL A 57 14.510 -4.400 14.167 1.00 0.00 C ATOM 895 CG2 VAL A 57 13.877 -4.114 11.761 1.00 0.00 C ATOM 0 H VAL A 57 14.118 -7.418 11.142 1.00 0.00 H new ATOM 0 HA VAL A 57 16.112 -5.702 12.441 1.00 0.00 H new ATOM 0 HB VAL A 57 13.138 -5.613 13.082 1.00 0.00 H new ATOM 0 HG11 VAL A 57 13.761 -3.655 14.435 1.00 0.00 H new ATOM 0 HG12 VAL A 57 14.604 -5.127 14.974 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.470 -3.908 14.008 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.137 -3.372 12.062 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.820 -3.616 11.536 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.524 -4.639 10.874 1.00 0.00 H new ATOM 905 N ALA A 58 13.978 -7.838 13.818 1.00 0.00 N ATOM 906 CA ALA A 58 13.860 -8.907 14.802 1.00 0.00 C ATOM 907 C ALA A 58 13.320 -10.183 14.165 1.00 0.00 C ATOM 908 O ALA A 58 12.704 -10.143 13.100 1.00 0.00 O ATOM 909 CB ALA A 58 12.964 -8.469 15.952 1.00 0.00 C ATOM 0 H ALA A 58 13.098 -7.573 13.376 1.00 0.00 H new ATOM 0 HA ALA A 58 14.855 -9.120 15.192 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.885 -9.277 16.679 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.392 -7.589 16.432 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.973 -8.227 15.569 1.00 0.00 H new ATOM 915 N GLN A 59 13.555 -11.313 14.824 1.00 0.00 N ATOM 916 CA GLN A 59 13.093 -12.601 14.320 1.00 0.00 C ATOM 917 C GLN A 59 12.417 -13.407 15.425 1.00 0.00 C ATOM 918 O GLN A 59 12.971 -13.579 16.509 1.00 0.00 O ATOM 919 CB GLN A 59 14.264 -13.394 13.737 1.00 0.00 C ATOM 920 CG GLN A 59 15.024 -12.648 12.653 1.00 0.00 C ATOM 921 CD GLN A 59 16.455 -13.126 12.510 1.00 0.00 C ATOM 922 OE1 GLN A 59 17.393 -12.455 12.942 1.00 0.00 O ATOM 923 NE2 GLN A 59 16.632 -14.292 11.900 1.00 0.00 N ATOM 0 H GLN A 59 14.062 -11.363 15.708 1.00 0.00 H new ATOM 0 HA GLN A 59 12.362 -12.414 13.533 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.954 -13.652 14.541 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.889 -14.331 13.326 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.507 -12.771 11.701 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.022 -11.582 12.881 1.00 0.00 H new ATOM 0 HE21 GLN A 59 15.827 -14.816 11.557 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.573 -14.664 11.774 1.00 0.00 H new ATOM 932 N GLY A 60 11.215 -13.899 15.141 1.00 0.00 N ATOM 933 CA GLY A 60 10.483 -14.680 16.120 1.00 0.00 C ATOM 934 C GLY A 60 9.257 -15.348 15.530 1.00 0.00 C ATOM 935 O GLY A 60 8.400 -14.684 14.945 1.00 0.00 O ATOM 0 H GLY A 60 10.735 -13.770 14.250 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.141 -15.441 16.539 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.180 -14.033 16.943 1.00 0.00 H new ATOM 939 N TYR A 61 9.172 -16.665 15.682 1.00 0.00 N ATOM 940 CA TYR A 61 8.043 -17.424 15.156 1.00 0.00 C ATOM 941 C TYR A 61 6.781 -17.159 15.971 1.00 0.00 C ATOM 942 O TYR A 61 6.851 -16.809 17.149 1.00 0.00 O ATOM 943 CB TYR A 61 8.361 -18.920 15.160 1.00 0.00 C ATOM 944 CG TYR A 61 8.218 -19.566 16.519 1.00 0.00 C ATOM 945 CD1 TYR A 61 6.996 -20.077 16.942 1.00 0.00 C ATOM 946 CD2 TYR A 61 9.303 -19.665 17.381 1.00 0.00 C ATOM 947 CE1 TYR A 61 6.860 -20.667 18.183 1.00 0.00 C ATOM 948 CE2 TYR A 61 9.176 -20.255 18.624 1.00 0.00 C ATOM 949 CZ TYR A 61 7.953 -20.755 19.020 1.00 0.00 C ATOM 950 OH TYR A 61 7.822 -21.342 20.258 1.00 0.00 O ATOM 0 H TYR A 61 9.871 -17.229 16.165 1.00 0.00 H new ATOM 0 HA TYR A 61 7.866 -17.099 14.131 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.700 -19.425 14.456 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.380 -19.067 14.803 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.139 -20.011 16.289 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.262 -19.274 17.074 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.903 -21.057 18.497 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.030 -20.324 19.282 1.00 0.00 H new ATOM 0 HH TYR A 61 8.710 -21.540 20.622 1.00 0.00 H new ATOM 960 N VAL A 62 5.627 -17.329 15.334 1.00 0.00 N ATOM 961 CA VAL A 62 4.348 -17.110 15.999 1.00 0.00 C ATOM 962 C VAL A 62 3.348 -18.204 15.641 1.00 0.00 C ATOM 963 O VAL A 62 3.360 -18.755 14.539 1.00 0.00 O ATOM 964 CB VAL A 62 3.749 -15.741 15.627 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.484 -14.623 16.350 1.00 0.00 C ATOM 966 CG2 VAL A 62 3.792 -15.532 14.121 1.00 0.00 C ATOM 0 H VAL A 62 5.551 -17.618 14.359 1.00 0.00 H new ATOM 0 HA VAL A 62 4.541 -17.135 17.072 1.00 0.00 H new ATOM 0 HB VAL A 62 2.706 -15.722 15.943 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.047 -13.663 16.075 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.396 -14.767 17.427 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.537 -14.637 16.067 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.365 -14.560 13.876 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.826 -15.571 13.778 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.216 -16.316 13.628 1.00 0.00 H new ATOM 976 N PRO A 63 2.459 -18.529 16.592 1.00 0.00 N ATOM 977 CA PRO A 63 1.435 -19.559 16.399 1.00 0.00 C ATOM 978 C PRO A 63 0.361 -19.130 15.405 1.00 0.00 C ATOM 979 O PRO A 63 0.100 -17.939 15.233 1.00 0.00 O ATOM 980 CB PRO A 63 0.833 -19.726 17.797 1.00 0.00 C ATOM 981 CG PRO A 63 1.081 -18.423 18.474 1.00 0.00 C ATOM 982 CD PRO A 63 2.386 -17.914 17.928 1.00 0.00 C ATOM 0 HA PRO A 63 1.853 -20.477 15.987 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.233 -19.949 17.745 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.305 -20.548 18.336 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.273 -17.719 18.274 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.133 -18.549 19.555 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.401 -16.826 17.871 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.227 -18.212 18.554 1.00 0.00 H new ATOM 990 N HIS A 64 -0.259 -20.108 14.753 1.00 0.00 N ATOM 991 CA HIS A 64 -1.306 -19.832 13.775 1.00 0.00 C ATOM 992 C HIS A 64 -2.590 -19.381 14.467 1.00 0.00 C ATOM 993 O HIS A 64 -3.537 -18.945 13.815 1.00 0.00 O ATOM 994 CB HIS A 64 -1.580 -21.072 12.924 1.00 0.00 C ATOM 995 CG HIS A 64 -2.210 -22.195 13.689 1.00 0.00 C ATOM 996 ND1 HIS A 64 -3.506 -22.616 13.476 1.00 0.00 N ATOM 997 CD2 HIS A 64 -1.715 -22.988 14.668 1.00 0.00 C ATOM 998 CE1 HIS A 64 -3.781 -23.618 14.292 1.00 0.00 C ATOM 999 NE2 HIS A 64 -2.710 -23.863 15.026 1.00 0.00 N ATOM 0 H HIS A 64 -0.055 -21.099 14.884 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.960 -19.026 13.127 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.232 -20.797 12.095 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.642 -21.420 12.490 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.722 -22.941 15.089 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.721 -24.147 14.349 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -2.635 -24.585 15.742 1.00 0.00 H new ATOM 1007 N ASN A 65 -2.613 -19.492 15.791 1.00 0.00 N ATOM 1008 CA ASN A 65 -3.780 -19.098 16.571 1.00 0.00 C ATOM 1009 C ASN A 65 -3.686 -17.633 16.988 1.00 0.00 C ATOM 1010 O ASN A 65 -4.539 -17.130 17.720 1.00 0.00 O ATOM 1011 CB ASN A 65 -3.916 -19.985 17.810 1.00 0.00 C ATOM 1012 CG ASN A 65 -3.173 -19.423 19.007 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -1.969 -19.630 19.158 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -3.891 -18.709 19.866 1.00 0.00 N ATOM 0 H ASN A 65 -1.837 -19.852 16.346 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.663 -19.224 15.945 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.971 -20.096 18.060 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.535 -20.981 17.584 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.447 -18.307 20.691 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.887 -18.563 19.701 1.00 0.00 H new ATOM 1021 N TYR A 66 -2.645 -16.956 16.518 1.00 0.00 N ATOM 1022 CA TYR A 66 -2.439 -15.549 16.843 1.00 0.00 C ATOM 1023 C TYR A 66 -2.136 -14.738 15.587 1.00 0.00 C ATOM 1024 O TYR A 66 -2.592 -13.603 15.441 1.00 0.00 O ATOM 1025 CB TYR A 66 -1.295 -15.400 17.848 1.00 0.00 C ATOM 1026 CG TYR A 66 -1.567 -14.375 18.926 1.00 0.00 C ATOM 1027 CD1 TYR A 66 -1.236 -13.038 18.739 1.00 0.00 C ATOM 1028 CD2 TYR A 66 -2.153 -14.743 20.131 1.00 0.00 C ATOM 1029 CE1 TYR A 66 -1.482 -12.098 19.722 1.00 0.00 C ATOM 1030 CE2 TYR A 66 -2.403 -13.809 21.118 1.00 0.00 C ATOM 1031 CZ TYR A 66 -2.066 -12.488 20.909 1.00 0.00 C ATOM 1032 OH TYR A 66 -2.312 -11.555 21.890 1.00 0.00 O ATOM 0 H TYR A 66 -1.931 -17.358 15.911 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.358 -15.166 17.287 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.105 -16.366 18.316 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.387 -15.121 17.314 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.779 -12.729 17.811 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.418 -15.777 20.299 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.218 -11.063 19.561 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.860 -14.112 22.049 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.689 -11.691 22.634 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.364 -15.329 14.681 1.00 0.00 N ATOM 1043 CA LEU A 67 -1.000 -14.663 13.435 1.00 0.00 C ATOM 1044 C LEU A 67 -1.985 -15.011 12.324 1.00 0.00 C ATOM 1045 O LEU A 67 -2.437 -16.150 12.215 1.00 0.00 O ATOM 1046 CB LEU A 67 0.417 -15.059 13.018 1.00 0.00 C ATOM 1047 CG LEU A 67 1.251 -13.965 12.350 1.00 0.00 C ATOM 1048 CD1 LEU A 67 0.652 -13.585 11.005 1.00 0.00 C ATOM 1049 CD2 LEU A 67 1.353 -12.746 13.254 1.00 0.00 C ATOM 0 H LEU A 67 -0.978 -16.267 14.786 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.036 -13.587 13.603 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.951 -15.406 13.903 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.350 -15.905 12.334 1.00 0.00 H new ATOM 0 HG LEU A 67 2.256 -14.352 12.181 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.258 -12.805 10.544 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.631 -14.460 10.356 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.364 -13.217 11.150 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.950 -11.978 12.763 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.355 -12.357 13.454 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.828 -13.029 14.194 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.312 -14.021 11.499 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.240 -14.223 10.394 1.00 0.00 C ATOM 1063 C ALA A 68 -2.903 -13.309 9.220 1.00 0.00 C ATOM 1064 O ALA A 68 -2.683 -12.112 9.398 1.00 0.00 O ATOM 1065 CB ALA A 68 -4.671 -13.987 10.855 1.00 0.00 C ATOM 0 H ALA A 68 -1.948 -13.071 11.576 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.145 -15.255 10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.353 -14.142 10.019 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.915 -14.685 11.656 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.772 -12.965 11.221 1.00 0.00 H new ATOM 1071 N GLU A 69 -2.864 -13.883 8.022 1.00 0.00 N ATOM 1072 CA GLU A 69 -2.552 -13.118 6.820 1.00 0.00 C ATOM 1073 C GLU A 69 -3.553 -11.984 6.621 1.00 0.00 C ATOM 1074 O GLU A 69 -4.759 -12.171 6.783 1.00 0.00 O ATOM 1075 CB GLU A 69 -2.551 -14.033 5.593 1.00 0.00 C ATOM 1076 CG GLU A 69 -3.942 -14.449 5.143 1.00 0.00 C ATOM 1077 CD GLU A 69 -3.911 -15.433 3.989 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -3.047 -16.334 3.999 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -4.753 -15.301 3.076 1.00 0.00 O ATOM 0 H GLU A 69 -3.044 -14.873 7.858 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.559 -12.685 6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.049 -13.523 4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.968 -14.927 5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.473 -14.896 5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.504 -13.564 4.846 1.00 0.00 H new ATOM 1086 N ARG A 70 -3.044 -10.808 6.270 1.00 0.00 N ATOM 1087 CA ARG A 70 -3.892 -9.642 6.051 1.00 0.00 C ATOM 1088 C ARG A 70 -4.090 -9.387 4.560 1.00 0.00 C ATOM 1089 O ARG A 70 -4.114 -8.239 4.116 1.00 0.00 O ATOM 1090 CB ARG A 70 -3.279 -8.407 6.714 1.00 0.00 C ATOM 1091 CG ARG A 70 -3.458 -8.375 8.223 1.00 0.00 C ATOM 1092 CD ARG A 70 -4.838 -7.866 8.610 1.00 0.00 C ATOM 1093 NE ARG A 70 -4.941 -6.415 8.487 1.00 0.00 N ATOM 1094 CZ ARG A 70 -5.919 -5.699 9.030 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -6.873 -6.297 9.731 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -5.944 -4.381 8.874 1.00 0.00 N ATOM 0 H ARG A 70 -2.048 -10.637 6.131 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.865 -9.842 6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.215 -8.371 6.482 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.730 -7.513 6.284 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.311 -9.376 8.629 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.695 -7.736 8.667 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.589 -8.338 7.976 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.058 -8.159 9.637 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.222 -5.924 7.955 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.857 -7.309 9.854 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.623 -5.744 10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.212 -3.917 8.337 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.696 -3.832 9.291 1.00 0.00 H new ATOM 1110 N GLU A 71 -4.231 -10.464 3.793 1.00 0.00 N ATOM 1111 CA GLU A 71 -4.425 -10.355 2.352 1.00 0.00 C ATOM 1112 C GLU A 71 -5.574 -9.404 2.029 1.00 0.00 C ATOM 1113 O GLU A 71 -6.498 -9.234 2.825 1.00 0.00 O ATOM 1114 CB GLU A 71 -4.702 -11.732 1.747 1.00 0.00 C ATOM 1115 CG GLU A 71 -3.445 -12.535 1.460 1.00 0.00 C ATOM 1116 CD GLU A 71 -3.684 -13.661 0.473 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -4.614 -13.538 -0.352 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -2.941 -14.664 0.524 1.00 0.00 O ATOM 0 H GLU A 71 -4.214 -11.421 4.145 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.510 -9.953 1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.337 -12.298 2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.262 -11.606 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.676 -11.870 1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.063 -12.950 2.393 1.00 0.00 H new ATOM 1125 N THR A 72 -5.511 -8.786 0.853 1.00 0.00 N ATOM 1126 CA THR A 72 -6.544 -7.852 0.424 1.00 0.00 C ATOM 1127 C THR A 72 -7.902 -8.538 0.335 1.00 0.00 C ATOM 1128 O THR A 72 -8.869 -8.108 0.966 1.00 0.00 O ATOM 1129 CB THR A 72 -6.205 -7.229 -0.943 1.00 0.00 C ATOM 1130 OG1 THR A 72 -4.784 -7.148 -1.106 1.00 0.00 O ATOM 1131 CG2 THR A 72 -6.815 -5.842 -1.072 1.00 0.00 C ATOM 0 H THR A 72 -4.755 -8.916 0.181 1.00 0.00 H new ATOM 0 HA THR A 72 -6.588 -7.062 1.174 1.00 0.00 H new ATOM 0 HB THR A 72 -6.624 -7.866 -1.722 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.577 -6.752 -1.978 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.562 -5.422 -2.046 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.899 -5.911 -0.977 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.422 -5.197 -0.286 1.00 0.00 H new TER 1139 THR A 72