USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 970 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 69 CYS SG : rot 46:sc= 0.937! USER MOD Set 1.2: A 120 GLN :FLIP amide:sc= 0.486 F(o=0.42,f=1.4) USER MOD Set 2.1: A 64 ASN : amide:sc= -1.25! C(o=-1.4!,f=-12!) USER MOD Set 2.2: A 66 HIS : no HD1:sc= -0.183 X(o=-1.4,f=-1.1) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0.396 USER MOD Set 3.2: A 36 THR OG1 : rot -55:sc= 0.43 USER MOD Single : A 1 GLY N :NH3+ -136:sc= -0.706 (180deg=-2.23!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.0164 F(o=-1.8,f=-0.016) USER MOD Single : A 23 MET CE :methyl -159:sc= -0.382 (180deg=-1.38) USER MOD Single : A 25 MET CE :methyl -147:sc= -0.662 (180deg=-3.13!) USER MOD Single : A 26 LYS NZ :NH3+ -177:sc= 0.0717 (180deg=0.0586) USER MOD Single : A 33 CYS SG : rot 180:sc= -5.48! USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 41 ASN : amide:sc= -0.928 X(o=-0.93,f=-0.52) USER MOD Single : A 43 GLN : amide:sc= -0.0341 K(o=-0.034,f=-2!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.3! C(o=-2.3!,f=-4.8!) USER MOD Single : A 51 HIS : no HE2:sc= -3.02 K(o=-3,f=-6.4!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0326 K(o=-0.033,f=-1.6!) USER MOD Single : A 56 HIS : no HD1:sc= -2.3 K(o=-2.3,f=-2.8!) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.802 F(o=-3.5,f=-0.8) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -3.19 K(o=-3.2,f=-4.6!) USER MOD Single : A 76 THR OG1 : rot -60:sc= 1.56 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -4.48! C(o=-5.8!,f=-4.5!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.019 USER MOD Single : A 88 LYS NZ :NH3+ 171:sc= -0.549 (180deg=-0.736) USER MOD Single : A 92 GLN : amide:sc= -0.602 K(o=-0.6,f=-1.1) USER MOD Single : A 108 HIS : no HD1:sc= -0.0432 X(o=-0.043,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -4.16! C(o=-4.2!,f=-8.3!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.746 -13.173 14.814 1.00 1.00 N ATOM 2 CA GLY A 1 -10.790 -12.717 15.864 1.00 1.00 C ATOM 3 C GLY A 1 -10.573 -11.211 15.738 1.00 1.00 C ATOM 4 O GLY A 1 -9.517 -10.763 15.294 1.00 1.00 O ATOM 0 H1 GLY A 1 -12.435 -13.830 15.233 1.00 1.00 H new ATOM 0 H2 GLY A 1 -12.247 -12.351 14.420 1.00 1.00 H new ATOM 0 H3 GLY A 1 -11.224 -13.656 14.055 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -11.179 -12.957 16.854 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -9.840 -13.242 15.759 1.00 1.00 H new ATOM 10 N PRO A 2 -11.552 -10.433 16.119 1.00 1.00 N ATOM 11 CA PRO A 2 -11.477 -8.942 16.051 1.00 1.00 C ATOM 12 C PRO A 2 -10.343 -8.383 16.912 1.00 1.00 C ATOM 13 O PRO A 2 -10.039 -8.916 17.979 1.00 1.00 O ATOM 14 CB PRO A 2 -12.856 -8.474 16.565 1.00 1.00 C ATOM 15 CG PRO A 2 -13.748 -9.673 16.457 1.00 1.00 C ATOM 16 CD PRO A 2 -12.843 -10.886 16.654 1.00 1.00 C ATOM 0 HA PRO A 2 -11.261 -8.589 15.043 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -12.793 -8.123 17.595 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -13.237 -7.645 15.968 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -14.533 -9.645 17.212 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -14.241 -9.707 15.485 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -12.767 -11.165 17.705 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -13.217 -11.758 16.118 1.00 1.00 H new ATOM 24 N LEU A 3 -9.725 -7.309 16.437 1.00 1.00 N ATOM 25 CA LEU A 3 -8.629 -6.683 17.168 1.00 1.00 C ATOM 26 C LEU A 3 -9.168 -5.873 18.343 1.00 1.00 C ATOM 27 O LEU A 3 -10.250 -5.291 18.264 1.00 1.00 O ATOM 28 CB LEU A 3 -7.840 -5.762 16.234 1.00 1.00 C ATOM 29 CG LEU A 3 -7.192 -6.578 15.107 1.00 1.00 C ATOM 30 CD1 LEU A 3 -6.572 -5.617 14.086 1.00 1.00 C ATOM 31 CD2 LEU A 3 -6.099 -7.508 15.673 1.00 1.00 C ATOM 0 H LEU A 3 -9.961 -6.855 15.555 1.00 1.00 H new ATOM 0 HA LEU A 3 -7.973 -7.466 17.548 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -8.503 -5.007 15.811 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -7.072 -5.233 16.797 1.00 1.00 H new ATOM 0 HG LEU A 3 -7.954 -7.191 14.627 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -6.109 -6.189 13.282 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -7.349 -4.974 13.673 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -5.816 -5.004 14.576 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -5.650 -8.079 14.860 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -5.331 -6.910 16.164 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -6.542 -8.193 16.396 1.00 1.00 H new ATOM 43 N GLY A 4 -8.407 -5.840 19.433 1.00 1.00 N ATOM 44 CA GLY A 4 -8.819 -5.098 20.619 1.00 1.00 C ATOM 45 C GLY A 4 -8.587 -3.601 20.436 1.00 1.00 C ATOM 46 O GLY A 4 -8.002 -3.171 19.443 1.00 1.00 O ATOM 0 H GLY A 4 -7.508 -6.315 19.519 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -9.874 -5.284 20.820 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -8.262 -5.453 21.486 1.00 1.00 H new ATOM 50 N SER A 5 -9.051 -2.813 21.400 1.00 1.00 N ATOM 51 CA SER A 5 -8.889 -1.365 21.332 1.00 1.00 C ATOM 52 C SER A 5 -7.446 -0.976 21.634 1.00 1.00 C ATOM 53 O SER A 5 -7.048 -0.882 22.794 1.00 1.00 O ATOM 54 CB SER A 5 -9.820 -0.686 22.337 1.00 1.00 C ATOM 55 OG SER A 5 -9.660 0.724 22.246 1.00 1.00 O ATOM 0 H SER A 5 -9.538 -3.149 22.231 1.00 1.00 H new ATOM 0 HA SER A 5 -9.142 -1.037 20.324 1.00 1.00 H new ATOM 0 HB2 SER A 5 -10.855 -0.960 22.134 1.00 1.00 H new ATOM 0 HB3 SER A 5 -9.593 -1.025 23.348 1.00 1.00 H new ATOM 0 HG SER A 5 -10.256 1.163 22.888 1.00 1.00 H new ATOM 61 N MET A 6 -6.664 -0.746 20.579 1.00 1.00 N ATOM 62 CA MET A 6 -5.259 -0.360 20.732 1.00 1.00 C ATOM 63 C MET A 6 -4.889 0.722 19.724 1.00 1.00 C ATOM 64 O MET A 6 -5.403 0.741 18.606 1.00 1.00 O ATOM 65 CB MET A 6 -4.361 -1.584 20.532 1.00 1.00 C ATOM 66 CG MET A 6 -4.580 -2.570 21.682 1.00 1.00 C ATOM 67 SD MET A 6 -3.479 -3.993 21.478 1.00 1.00 S ATOM 68 CE MET A 6 -4.205 -5.022 22.778 1.00 1.00 C ATOM 0 H MET A 6 -6.978 -0.820 19.611 1.00 1.00 H new ATOM 0 HA MET A 6 -5.113 0.036 21.737 1.00 1.00 H new ATOM 0 HB2 MET A 6 -4.588 -2.063 19.580 1.00 1.00 H new ATOM 0 HB3 MET A 6 -3.315 -1.279 20.494 1.00 1.00 H new ATOM 0 HG2 MET A 6 -4.386 -2.081 22.636 1.00 1.00 H new ATOM 0 HG3 MET A 6 -5.619 -2.900 21.699 1.00 1.00 H new ATOM 0 HE1 MET A 6 -3.671 -5.971 22.832 1.00 1.00 H new ATOM 0 HE2 MET A 6 -4.128 -4.507 23.735 1.00 1.00 H new ATOM 0 HE3 MET A 6 -5.254 -5.209 22.550 1.00 1.00 H new ATOM 78 N GLU A 7 -3.996 1.619 20.128 1.00 1.00 N ATOM 79 CA GLU A 7 -3.563 2.704 19.256 1.00 1.00 C ATOM 80 C GLU A 7 -2.782 2.151 18.050 1.00 1.00 C ATOM 81 O GLU A 7 -1.706 1.582 18.231 1.00 1.00 O ATOM 82 CB GLU A 7 -2.671 3.665 20.046 1.00 1.00 C ATOM 83 CG GLU A 7 -3.510 4.379 21.109 1.00 1.00 C ATOM 84 CD GLU A 7 -2.599 5.081 22.111 1.00 1.00 C ATOM 85 OE1 GLU A 7 -1.689 4.438 22.606 1.00 1.00 O ATOM 86 OE2 GLU A 7 -2.830 6.252 22.371 1.00 1.00 O ATOM 0 H GLU A 7 -3.560 1.616 21.050 1.00 1.00 H new ATOM 0 HA GLU A 7 -4.443 3.232 18.889 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -1.856 3.117 20.518 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -2.218 4.394 19.374 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -4.170 5.105 20.635 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -4.146 3.660 21.625 1.00 1.00 H new ATOM 93 N PRO A 8 -3.281 2.287 16.834 1.00 1.00 N ATOM 94 CA PRO A 8 -2.575 1.765 15.625 1.00 1.00 C ATOM 95 C PRO A 8 -1.452 2.700 15.157 1.00 1.00 C ATOM 96 O PRO A 8 -1.439 3.883 15.498 1.00 1.00 O ATOM 97 CB PRO A 8 -3.695 1.667 14.585 1.00 1.00 C ATOM 98 CG PRO A 8 -4.641 2.769 14.939 1.00 1.00 C ATOM 99 CD PRO A 8 -4.558 2.937 16.465 1.00 1.00 C ATOM 0 HA PRO A 8 -2.074 0.815 15.811 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -3.307 1.788 13.573 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -4.187 0.695 14.624 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -4.368 3.694 14.431 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -5.657 2.523 14.630 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -4.566 3.989 16.751 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -5.404 2.464 16.964 1.00 1.00 H new ATOM 107 N PRO A 9 -0.513 2.191 14.392 1.00 1.00 N ATOM 108 CA PRO A 9 0.637 2.999 13.879 1.00 1.00 C ATOM 109 C PRO A 9 0.179 4.080 12.897 1.00 1.00 C ATOM 110 O PRO A 9 0.773 5.157 12.820 1.00 1.00 O ATOM 111 CB PRO A 9 1.539 1.958 13.188 1.00 1.00 C ATOM 112 CG PRO A 9 0.637 0.811 12.856 1.00 1.00 C ATOM 113 CD PRO A 9 -0.452 0.794 13.928 1.00 1.00 C ATOM 0 HA PRO A 9 1.150 3.541 14.674 1.00 1.00 H new ATOM 0 HB2 PRO A 9 1.998 2.370 12.289 1.00 1.00 H new ATOM 0 HB3 PRO A 9 2.350 1.643 13.844 1.00 1.00 H new ATOM 0 HG2 PRO A 9 0.203 0.933 11.864 1.00 1.00 H new ATOM 0 HG3 PRO A 9 1.190 -0.128 12.849 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -1.408 0.466 13.521 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -0.201 0.113 14.742 1.00 1.00 H new ATOM 121 N LEU A 10 -0.877 3.778 12.155 1.00 1.00 N ATOM 122 CA LEU A 10 -1.419 4.718 11.181 1.00 1.00 C ATOM 123 C LEU A 10 -2.259 5.782 11.895 1.00 1.00 C ATOM 124 O LEU A 10 -2.854 5.500 12.935 1.00 1.00 O ATOM 125 CB LEU A 10 -2.291 3.958 10.168 1.00 1.00 C ATOM 126 CG LEU A 10 -3.374 3.121 10.908 1.00 1.00 C ATOM 127 CD1 LEU A 10 -4.738 3.290 10.223 1.00 1.00 C ATOM 128 CD2 LEU A 10 -2.989 1.633 10.895 1.00 1.00 C ATOM 0 H LEU A 10 -1.376 2.890 12.208 1.00 1.00 H new ATOM 0 HA LEU A 10 -0.599 5.208 10.657 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -2.769 4.663 9.488 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -1.667 3.302 9.561 1.00 1.00 H new ATOM 0 HG LEU A 10 -3.438 3.475 11.937 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -5.486 2.699 10.751 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -5.027 4.341 10.241 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -4.671 2.950 9.189 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -3.753 1.055 11.415 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -2.911 1.286 9.865 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -2.030 1.501 11.396 1.00 1.00 H new ATOM 140 N PRO A 11 -2.330 6.989 11.376 1.00 1.00 N ATOM 141 CA PRO A 11 -3.127 8.077 12.019 1.00 1.00 C ATOM 142 C PRO A 11 -4.618 7.738 12.054 1.00 1.00 C ATOM 143 O PRO A 11 -5.150 7.121 11.132 1.00 1.00 O ATOM 144 CB PRO A 11 -2.838 9.314 11.149 1.00 1.00 C ATOM 145 CG PRO A 11 -2.405 8.764 9.831 1.00 1.00 C ATOM 146 CD PRO A 11 -1.675 7.458 10.142 1.00 1.00 C ATOM 0 HA PRO A 11 -2.855 8.234 13.063 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -3.725 9.939 11.044 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.060 9.936 11.592 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -3.262 8.587 9.181 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -1.750 9.464 9.312 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -1.779 6.736 9.332 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -0.607 7.619 10.290 1.00 1.00 H new ATOM 154 N VAL A 12 -5.274 8.139 13.135 1.00 1.00 N ATOM 155 CA VAL A 12 -6.699 7.875 13.309 1.00 1.00 C ATOM 156 C VAL A 12 -7.540 8.854 12.497 1.00 1.00 C ATOM 157 O VAL A 12 -8.713 8.603 12.224 1.00 1.00 O ATOM 158 CB VAL A 12 -7.066 7.986 14.789 1.00 1.00 C ATOM 159 CG1 VAL A 12 -6.319 6.911 15.581 1.00 1.00 C ATOM 160 CG2 VAL A 12 -6.667 9.367 15.309 1.00 1.00 C ATOM 0 H VAL A 12 -4.843 8.649 13.906 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.907 6.866 12.953 1.00 1.00 H new ATOM 0 HB VAL A 12 -8.140 7.847 14.909 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -6.580 6.989 16.636 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -6.599 5.925 15.210 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -5.245 7.052 15.462 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -6.928 9.448 16.364 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -5.592 9.504 15.189 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -7.196 10.135 14.745 1.00 1.00 H new ATOM 170 N GLY A 13 -6.935 9.973 12.122 1.00 1.00 N ATOM 171 CA GLY A 13 -7.639 10.988 11.347 1.00 1.00 C ATOM 172 C GLY A 13 -8.100 10.426 10.008 1.00 1.00 C ATOM 173 O GLY A 13 -9.146 10.815 9.488 1.00 1.00 O ATOM 0 H GLY A 13 -5.965 10.201 12.340 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.500 11.349 11.910 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -6.984 11.844 11.181 1.00 1.00 H new ATOM 177 N ALA A 14 -7.310 9.516 9.452 1.00 1.00 N ATOM 178 CA ALA A 14 -7.643 8.913 8.166 1.00 1.00 C ATOM 179 C ALA A 14 -8.780 7.905 8.313 1.00 1.00 C ATOM 180 O ALA A 14 -9.174 7.549 9.426 1.00 1.00 O ATOM 181 CB ALA A 14 -6.412 8.211 7.586 1.00 1.00 C ATOM 0 H ALA A 14 -6.441 9.181 9.867 1.00 1.00 H new ATOM 0 HA ALA A 14 -7.966 9.706 7.492 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -6.667 7.763 6.626 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -5.611 8.937 7.446 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -6.080 7.433 8.273 1.00 1.00 H new ATOM 187 N GLN A 15 -9.292 7.442 7.173 1.00 1.00 N ATOM 188 CA GLN A 15 -10.383 6.455 7.144 1.00 1.00 C ATOM 189 C GLN A 15 -9.908 5.179 6.452 1.00 1.00 C ATOM 190 O GLN A 15 -10.163 4.984 5.264 1.00 1.00 O ATOM 191 CB GLN A 15 -11.577 7.023 6.364 1.00 1.00 C ATOM 192 CG GLN A 15 -12.047 8.347 6.988 1.00 1.00 C ATOM 193 CD GLN A 15 -13.054 8.087 8.106 1.00 1.00 C ATOM 194 OE1 GLN A 15 -13.130 6.898 8.640 1.00 1.00 O flip ATOM 195 NE2 GLN A 15 -13.794 8.988 8.499 1.00 1.00 N flip ATOM 0 H GLN A 15 -8.970 7.734 6.250 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.682 6.232 8.168 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -11.296 7.184 5.323 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -12.395 6.303 6.365 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -11.190 8.893 7.383 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -12.501 8.976 6.222 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -13.734 9.916 8.081 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -14.468 8.807 9.243 1.00 1.00 H new ATOM 204 N PRO A 16 -9.217 4.319 7.158 1.00 1.00 N ATOM 205 CA PRO A 16 -8.685 3.047 6.580 1.00 1.00 C ATOM 206 C PRO A 16 -9.748 2.251 5.832 1.00 1.00 C ATOM 207 O PRO A 16 -10.500 1.482 6.428 1.00 1.00 O ATOM 208 CB PRO A 16 -8.169 2.284 7.805 1.00 1.00 C ATOM 209 CG PRO A 16 -7.827 3.347 8.790 1.00 1.00 C ATOM 210 CD PRO A 16 -8.860 4.454 8.578 1.00 1.00 C ATOM 0 HA PRO A 16 -7.914 3.229 5.832 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -8.927 1.607 8.199 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -7.298 1.678 7.557 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -7.867 2.964 9.810 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -6.815 3.719 8.629 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -9.728 4.323 9.225 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -8.445 5.438 8.796 1.00 1.00 H new ATOM 218 N LEU A 17 -9.791 2.437 4.518 1.00 1.00 N ATOM 219 CA LEU A 17 -10.750 1.728 3.684 1.00 1.00 C ATOM 220 C LEU A 17 -10.466 0.237 3.731 1.00 1.00 C ATOM 221 O LEU A 17 -11.378 -0.587 3.802 1.00 1.00 O ATOM 222 CB LEU A 17 -10.620 2.193 2.233 1.00 1.00 C ATOM 223 CG LEU A 17 -10.937 3.686 2.125 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.728 4.139 0.673 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.392 3.959 2.553 1.00 1.00 C ATOM 0 H LEU A 17 -9.174 3.071 4.010 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.754 1.934 4.056 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.610 2.001 1.871 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.299 1.623 1.599 1.00 1.00 H new ATOM 0 HG LEU A 17 -10.273 4.243 2.786 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.952 5.202 0.588 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.693 3.962 0.382 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.391 3.575 0.017 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.602 5.025 2.470 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -13.072 3.405 1.906 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.533 3.640 3.586 1.00 1.00 H new ATOM 237 N ALA A 18 -9.184 -0.092 3.674 1.00 1.00 N ATOM 238 CA ALA A 18 -8.759 -1.485 3.692 1.00 1.00 C ATOM 239 C ALA A 18 -7.292 -1.588 4.092 1.00 1.00 C ATOM 240 O ALA A 18 -6.526 -0.642 3.915 1.00 1.00 O ATOM 241 CB ALA A 18 -8.957 -2.101 2.304 1.00 1.00 C ATOM 0 H ALA A 18 -8.422 0.583 3.615 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.361 -2.026 4.422 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.638 -3.143 2.320 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -10.010 -2.048 2.029 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -8.363 -1.551 1.574 1.00 1.00 H new ATOM 247 N THR A 19 -6.903 -2.743 4.629 1.00 1.00 N ATOM 248 CA THR A 19 -5.516 -2.955 5.043 1.00 1.00 C ATOM 249 C THR A 19 -5.132 -4.419 4.888 1.00 1.00 C ATOM 250 O THR A 19 -5.942 -5.313 5.131 1.00 1.00 O ATOM 251 CB THR A 19 -5.328 -2.520 6.498 1.00 1.00 C ATOM 252 OG1 THR A 19 -3.947 -2.564 6.829 1.00 1.00 O ATOM 253 CG2 THR A 19 -6.105 -3.459 7.422 1.00 1.00 C ATOM 0 H THR A 19 -7.521 -3.539 4.787 1.00 1.00 H new ATOM 0 HA THR A 19 -4.869 -2.353 4.404 1.00 1.00 H new ATOM 0 HB THR A 19 -5.701 -1.503 6.622 1.00 1.00 H new ATOM 0 HG1 THR A 19 -3.825 -2.284 7.760 1.00 1.00 H new ATOM 0 HG21 THR A 19 -5.969 -3.146 8.457 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.165 -3.424 7.169 1.00 1.00 H new ATOM 0 HG23 THR A 19 -5.736 -4.477 7.299 1.00 1.00 H new ATOM 261 N VAL A 20 -3.890 -4.655 4.468 1.00 1.00 N ATOM 262 CA VAL A 20 -3.398 -6.017 4.267 1.00 1.00 C ATOM 263 C VAL A 20 -1.952 -6.156 4.724 1.00 1.00 C ATOM 264 O VAL A 20 -1.228 -5.168 4.846 1.00 1.00 O ATOM 265 CB VAL A 20 -3.502 -6.374 2.783 1.00 1.00 C ATOM 266 CG1 VAL A 20 -4.979 -6.468 2.387 1.00 1.00 C ATOM 267 CG2 VAL A 20 -2.817 -5.286 1.947 1.00 1.00 C ATOM 0 H VAL A 20 -3.209 -3.925 4.261 1.00 1.00 H new ATOM 0 HA VAL A 20 -4.008 -6.696 4.863 1.00 1.00 H new ATOM 0 HB VAL A 20 -3.014 -7.332 2.602 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -5.057 -6.722 1.330 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -5.467 -7.239 2.983 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -5.465 -5.509 2.566 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -2.891 -5.539 0.889 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -3.306 -4.328 2.125 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -1.767 -5.216 2.231 1.00 1.00 H new ATOM 277 N GLU A 21 -1.533 -7.399 4.955 1.00 1.00 N ATOM 278 CA GLU A 21 -0.164 -7.674 5.380 1.00 1.00 C ATOM 279 C GLU A 21 0.685 -8.011 4.158 1.00 1.00 C ATOM 280 O GLU A 21 0.376 -8.942 3.414 1.00 1.00 O ATOM 281 CB GLU A 21 -0.145 -8.858 6.352 1.00 1.00 C ATOM 282 CG GLU A 21 1.256 -9.010 6.953 1.00 1.00 C ATOM 283 CD GLU A 21 1.532 -7.868 7.924 1.00 1.00 C ATOM 284 OE1 GLU A 21 0.607 -7.128 8.214 1.00 1.00 O ATOM 285 OE2 GLU A 21 2.662 -7.754 8.369 1.00 1.00 O ATOM 0 H GLU A 21 -2.120 -8.227 4.855 1.00 1.00 H new ATOM 0 HA GLU A 21 0.239 -6.794 5.880 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -0.876 -8.702 7.145 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -0.429 -9.773 5.832 1.00 1.00 H new ATOM 0 HG2 GLU A 21 1.337 -9.966 7.470 1.00 1.00 H new ATOM 0 HG3 GLU A 21 2.003 -9.012 6.159 1.00 1.00 H new ATOM 292 N GLY A 22 1.755 -7.247 3.953 1.00 1.00 N ATOM 293 CA GLY A 22 2.650 -7.464 2.814 1.00 1.00 C ATOM 294 C GLY A 22 4.085 -7.637 3.287 1.00 1.00 C ATOM 295 O GLY A 22 4.404 -7.371 4.441 1.00 1.00 O ATOM 0 H GLY A 22 2.025 -6.472 4.559 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.335 -8.348 2.260 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.587 -6.619 2.128 1.00 1.00 H new ATOM 299 N MET A 23 4.946 -8.098 2.390 1.00 1.00 N ATOM 300 CA MET A 23 6.352 -8.318 2.712 1.00 1.00 C ATOM 301 C MET A 23 7.236 -7.421 1.857 1.00 1.00 C ATOM 302 O MET A 23 7.457 -7.692 0.678 1.00 1.00 O ATOM 303 CB MET A 23 6.700 -9.780 2.455 1.00 1.00 C ATOM 304 CG MET A 23 5.662 -10.663 3.149 1.00 1.00 C ATOM 305 SD MET A 23 6.188 -12.390 3.076 1.00 1.00 S ATOM 306 CE MET A 23 7.216 -12.362 4.566 1.00 1.00 C ATOM 0 H MET A 23 4.695 -8.328 1.429 1.00 1.00 H new ATOM 0 HA MET A 23 6.523 -8.077 3.761 1.00 1.00 H new ATOM 0 HB2 MET A 23 6.712 -9.982 1.384 1.00 1.00 H new ATOM 0 HB3 MET A 23 7.698 -10.002 2.833 1.00 1.00 H new ATOM 0 HG2 MET A 23 5.542 -10.353 4.187 1.00 1.00 H new ATOM 0 HG3 MET A 23 4.691 -10.547 2.667 1.00 1.00 H new ATOM 0 HE1 MET A 23 7.931 -13.184 4.530 1.00 1.00 H new ATOM 0 HE2 MET A 23 7.754 -11.415 4.619 1.00 1.00 H new ATOM 0 HE3 MET A 23 6.583 -12.470 5.447 1.00 1.00 H new ATOM 316 N GLU A 24 7.736 -6.351 2.460 1.00 1.00 N ATOM 317 CA GLU A 24 8.596 -5.417 1.746 1.00 1.00 C ATOM 318 C GLU A 24 9.842 -6.133 1.242 1.00 1.00 C ATOM 319 O GLU A 24 10.601 -6.700 2.026 1.00 1.00 O ATOM 320 CB GLU A 24 8.982 -4.270 2.687 1.00 1.00 C ATOM 321 CG GLU A 24 9.943 -3.301 1.991 1.00 1.00 C ATOM 322 CD GLU A 24 9.269 -2.681 0.776 1.00 1.00 C ATOM 323 OE1 GLU A 24 8.052 -2.638 0.757 1.00 1.00 O ATOM 324 OE2 GLU A 24 9.980 -2.261 -0.119 1.00 1.00 O ATOM 0 H GLU A 24 7.563 -6.109 3.436 1.00 1.00 H new ATOM 0 HA GLU A 24 8.062 -5.013 0.886 1.00 1.00 H new ATOM 0 HB2 GLU A 24 8.086 -3.736 3.005 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.450 -4.672 3.586 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.250 -2.519 2.685 1.00 1.00 H new ATOM 0 HG3 GLU A 24 10.847 -3.829 1.686 1.00 1.00 H new ATOM 331 N MET A 25 10.052 -6.104 -0.076 1.00 1.00 N ATOM 332 CA MET A 25 11.220 -6.757 -0.678 1.00 1.00 C ATOM 333 C MET A 25 12.243 -5.716 -1.120 1.00 1.00 C ATOM 334 O MET A 25 11.905 -4.752 -1.804 1.00 1.00 O ATOM 335 CB MET A 25 10.792 -7.578 -1.900 1.00 1.00 C ATOM 336 CG MET A 25 9.812 -8.672 -1.479 1.00 1.00 C ATOM 337 SD MET A 25 9.402 -9.701 -2.913 1.00 1.00 S ATOM 338 CE MET A 25 8.470 -8.461 -3.855 1.00 1.00 C ATOM 0 H MET A 25 9.435 -5.640 -0.743 1.00 1.00 H new ATOM 0 HA MET A 25 11.667 -7.412 0.070 1.00 1.00 H new ATOM 0 HB2 MET A 25 10.327 -6.927 -2.640 1.00 1.00 H new ATOM 0 HB3 MET A 25 11.667 -8.025 -2.373 1.00 1.00 H new ATOM 0 HG2 MET A 25 10.251 -9.285 -0.692 1.00 1.00 H new ATOM 0 HG3 MET A 25 8.907 -8.225 -1.068 1.00 1.00 H new ATOM 0 HE1 MET A 25 7.676 -8.952 -4.417 1.00 1.00 H new ATOM 0 HE2 MET A 25 8.033 -7.736 -3.169 1.00 1.00 H new ATOM 0 HE3 MET A 25 9.140 -7.949 -4.545 1.00 1.00 H new ATOM 348 N LYS A 26 13.503 -5.926 -0.745 1.00 1.00 N ATOM 349 CA LYS A 26 14.578 -5.010 -1.134 1.00 1.00 C ATOM 350 C LYS A 26 15.827 -5.800 -1.505 1.00 1.00 C ATOM 351 O LYS A 26 16.097 -6.860 -0.940 1.00 1.00 O ATOM 352 CB LYS A 26 14.901 -4.028 -0.001 1.00 1.00 C ATOM 353 CG LYS A 26 13.717 -3.083 0.219 1.00 1.00 C ATOM 354 CD LYS A 26 14.051 -2.060 1.315 1.00 1.00 C ATOM 355 CE LYS A 26 14.041 -2.727 2.696 1.00 1.00 C ATOM 356 NZ LYS A 26 14.038 -1.674 3.749 1.00 1.00 N ATOM 0 H LYS A 26 13.806 -6.717 -0.176 1.00 1.00 H new ATOM 0 HA LYS A 26 14.241 -4.438 -1.998 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.117 -4.575 0.917 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.795 -3.455 -0.248 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.477 -2.566 -0.710 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.834 -3.655 0.502 1.00 1.00 H new ATOM 0 HD2 LYS A 26 15.030 -1.621 1.124 1.00 1.00 H new ATOM 0 HD3 LYS A 26 13.327 -1.246 1.293 1.00 1.00 H new ATOM 0 HE2 LYS A 26 13.162 -3.364 2.799 1.00 1.00 H new ATOM 0 HE3 LYS A 26 14.915 -3.369 2.809 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 14.083 -2.121 4.687 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 14.863 -1.053 3.622 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 13.167 -1.111 3.675 1.00 1.00 H new ATOM 370 N GLY A 27 16.574 -5.277 -2.463 1.00 1.00 N ATOM 371 CA GLY A 27 17.793 -5.927 -2.926 1.00 1.00 C ATOM 372 C GLY A 27 18.584 -6.574 -1.785 1.00 1.00 C ATOM 373 O GLY A 27 18.758 -7.792 -1.758 1.00 1.00 O ATOM 0 H GLY A 27 16.358 -4.401 -2.938 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.537 -6.688 -3.663 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.423 -5.194 -3.430 1.00 1.00 H new ATOM 377 N PRO A 28 19.097 -5.785 -0.872 1.00 1.00 N ATOM 378 CA PRO A 28 19.927 -6.299 0.268 1.00 1.00 C ATOM 379 C PRO A 28 19.184 -7.296 1.170 1.00 1.00 C ATOM 380 O PRO A 28 19.795 -8.224 1.701 1.00 1.00 O ATOM 381 CB PRO A 28 20.329 -5.019 1.032 1.00 1.00 C ATOM 382 CG PRO A 28 19.328 -3.986 0.624 1.00 1.00 C ATOM 383 CD PRO A 28 18.941 -4.323 -0.814 1.00 1.00 C ATOM 0 HA PRO A 28 20.782 -6.874 -0.087 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.310 -5.182 2.110 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.342 -4.709 0.775 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.456 -4.007 1.278 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.752 -2.984 0.690 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.919 -4.018 -1.038 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.588 -3.820 -1.533 1.00 1.00 H new ATOM 391 N LEU A 29 17.877 -7.115 1.338 1.00 1.00 N ATOM 392 CA LEU A 29 17.096 -8.028 2.179 1.00 1.00 C ATOM 393 C LEU A 29 15.627 -7.627 2.187 1.00 1.00 C ATOM 394 O LEU A 29 15.206 -6.786 1.402 1.00 1.00 O ATOM 395 CB LEU A 29 17.639 -8.043 3.620 1.00 1.00 C ATOM 396 CG LEU A 29 17.971 -6.621 4.099 1.00 1.00 C ATOM 397 CD1 LEU A 29 16.709 -5.748 4.105 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.547 -6.699 5.516 1.00 1.00 C ATOM 0 H LEU A 29 17.340 -6.359 0.913 1.00 1.00 H new ATOM 0 HA LEU A 29 17.187 -9.030 1.759 1.00 1.00 H new ATOM 0 HB2 LEU A 29 16.902 -8.492 4.286 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.533 -8.665 3.669 1.00 1.00 H new ATOM 0 HG LEU A 29 18.698 -6.174 3.421 1.00 1.00 H new ATOM 0 HD11 LEU A 29 16.962 -4.744 4.447 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.298 -5.695 3.097 1.00 1.00 H new ATOM 0 HD13 LEU A 29 15.968 -6.184 4.776 1.00 1.00 H new ATOM 0 HD21 LEU A 29 18.787 -5.695 5.867 1.00 1.00 H new ATOM 0 HD22 LEU A 29 17.813 -7.151 6.183 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.452 -7.306 5.508 1.00 1.00 H new ATOM 410 N ARG A 30 14.842 -8.237 3.077 1.00 1.00 N ATOM 411 CA ARG A 30 13.418 -7.927 3.177 1.00 1.00 C ATOM 412 C ARG A 30 13.020 -7.707 4.630 1.00 1.00 C ATOM 413 O ARG A 30 13.789 -7.995 5.548 1.00 1.00 O ATOM 414 CB ARG A 30 12.587 -9.059 2.577 1.00 1.00 C ATOM 415 CG ARG A 30 12.736 -10.339 3.403 1.00 1.00 C ATOM 416 CD ARG A 30 11.884 -11.411 2.743 1.00 1.00 C ATOM 417 NE ARG A 30 11.948 -12.667 3.486 1.00 1.00 N ATOM 418 CZ ARG A 30 11.124 -12.910 4.500 1.00 1.00 C ATOM 419 NH1 ARG A 30 10.281 -11.994 4.890 1.00 1.00 N ATOM 420 NH2 ARG A 30 11.160 -14.064 5.106 1.00 1.00 N ATOM 0 H ARG A 30 15.168 -8.945 3.735 1.00 1.00 H new ATOM 0 HA ARG A 30 13.226 -7.011 2.619 1.00 1.00 H new ATOM 0 HB2 ARG A 30 11.538 -8.765 2.539 1.00 1.00 H new ATOM 0 HB3 ARG A 30 12.904 -9.244 1.551 1.00 1.00 H new ATOM 0 HG2 ARG A 30 13.780 -10.650 3.443 1.00 1.00 H new ATOM 0 HG3 ARG A 30 12.413 -10.172 4.431 1.00 1.00 H new ATOM 0 HD2 ARG A 30 10.850 -11.072 2.684 1.00 1.00 H new ATOM 0 HD3 ARG A 30 12.225 -11.572 1.720 1.00 1.00 H new ATOM 0 HE ARG A 30 12.638 -13.370 3.222 1.00 1.00 H new ATOM 0 HH11 ARG A 30 10.254 -11.091 4.417 1.00 1.00 H new ATOM 0 HH12 ARG A 30 9.649 -12.181 5.668 1.00 1.00 H new ATOM 0 HH21 ARG A 30 11.820 -14.779 4.802 1.00 1.00 H new ATOM 0 HH22 ARG A 30 10.528 -14.251 5.884 1.00 1.00 H new ATOM 434 N GLU A 31 11.812 -7.198 4.827 1.00 1.00 N ATOM 435 CA GLU A 31 11.301 -6.938 6.170 1.00 1.00 C ATOM 436 C GLU A 31 9.767 -6.977 6.160 1.00 1.00 C ATOM 437 O GLU A 31 9.154 -6.390 5.267 1.00 1.00 O ATOM 438 CB GLU A 31 11.772 -5.557 6.639 1.00 1.00 C ATOM 439 CG GLU A 31 11.296 -4.491 5.649 1.00 1.00 C ATOM 440 CD GLU A 31 11.993 -3.165 5.930 1.00 1.00 C ATOM 441 OE1 GLU A 31 13.122 -3.195 6.389 1.00 1.00 O ATOM 442 OE2 GLU A 31 11.386 -2.136 5.678 1.00 1.00 O ATOM 0 H GLU A 31 11.166 -6.956 4.076 1.00 1.00 H new ATOM 0 HA GLU A 31 11.676 -7.703 6.850 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.379 -5.346 7.634 1.00 1.00 H new ATOM 0 HB3 GLU A 31 12.859 -5.538 6.715 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.506 -4.812 4.629 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.216 -4.367 5.728 1.00 1.00 H new ATOM 449 N PRO A 32 9.111 -7.628 7.105 1.00 1.00 N ATOM 450 CA PRO A 32 7.620 -7.664 7.114 1.00 1.00 C ATOM 451 C PRO A 32 7.029 -6.256 7.074 1.00 1.00 C ATOM 452 O PRO A 32 7.553 -5.333 7.697 1.00 1.00 O ATOM 453 CB PRO A 32 7.256 -8.376 8.431 1.00 1.00 C ATOM 454 CG PRO A 32 8.478 -9.144 8.824 1.00 1.00 C ATOM 455 CD PRO A 32 9.680 -8.394 8.238 1.00 1.00 C ATOM 0 HA PRO A 32 7.220 -8.178 6.240 1.00 1.00 H new ATOM 0 HB2 PRO A 32 6.980 -7.657 9.202 1.00 1.00 H new ATOM 0 HB3 PRO A 32 6.403 -9.040 8.295 1.00 1.00 H new ATOM 0 HG2 PRO A 32 8.558 -9.215 9.909 1.00 1.00 H new ATOM 0 HG3 PRO A 32 8.434 -10.163 8.440 1.00 1.00 H new ATOM 0 HD2 PRO A 32 10.136 -7.734 8.976 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.455 -9.083 7.904 1.00 1.00 H new ATOM 463 N CYS A 33 5.940 -6.101 6.330 1.00 1.00 N ATOM 464 CA CYS A 33 5.283 -4.804 6.199 1.00 1.00 C ATOM 465 C CYS A 33 3.783 -4.983 5.993 1.00 1.00 C ATOM 466 O CYS A 33 3.270 -6.099 6.032 1.00 1.00 O ATOM 467 CB CYS A 33 5.871 -4.052 5.003 1.00 1.00 C ATOM 468 SG CYS A 33 5.442 -4.921 3.475 1.00 1.00 S ATOM 0 H CYS A 33 5.493 -6.855 5.809 1.00 1.00 H new ATOM 0 HA CYS A 33 5.448 -4.235 7.114 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.485 -3.033 4.975 1.00 1.00 H new ATOM 0 HB3 CYS A 33 6.954 -3.980 5.102 1.00 1.00 H new ATOM 0 HG CYS A 33 5.940 -4.282 2.458 1.00 1.00 H new ATOM 474 N ALA A 34 3.087 -3.875 5.778 1.00 1.00 N ATOM 475 CA ALA A 34 1.647 -3.918 5.558 1.00 1.00 C ATOM 476 C ALA A 34 1.189 -2.672 4.809 1.00 1.00 C ATOM 477 O ALA A 34 1.621 -1.559 5.107 1.00 1.00 O ATOM 478 CB ALA A 34 0.909 -4.023 6.894 1.00 1.00 C ATOM 0 H ALA A 34 3.493 -2.940 5.751 1.00 1.00 H new ATOM 0 HA ALA A 34 1.415 -4.797 4.956 1.00 1.00 H new ATOM 0 HB1 ALA A 34 -0.166 -4.054 6.715 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.217 -4.933 7.410 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.149 -3.157 7.511 1.00 1.00 H new ATOM 484 N LEU A 35 0.308 -2.872 3.832 1.00 1.00 N ATOM 485 CA LEU A 35 -0.219 -1.772 3.032 1.00 1.00 C ATOM 486 C LEU A 35 -1.583 -1.359 3.571 1.00 1.00 C ATOM 487 O LEU A 35 -2.496 -2.180 3.663 1.00 1.00 O ATOM 488 CB LEU A 35 -0.363 -2.226 1.578 1.00 1.00 C ATOM 489 CG LEU A 35 0.957 -2.839 1.089 1.00 1.00 C ATOM 490 CD1 LEU A 35 0.773 -3.397 -0.328 1.00 1.00 C ATOM 491 CD2 LEU A 35 2.056 -1.766 1.077 1.00 1.00 C ATOM 0 H LEU A 35 -0.056 -3.789 3.575 1.00 1.00 H new ATOM 0 HA LEU A 35 0.464 -0.924 3.084 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -1.167 -2.957 1.494 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.636 -1.379 0.949 1.00 1.00 H new ATOM 0 HG LEU A 35 1.247 -3.645 1.762 1.00 1.00 H new ATOM 0 HD11 LEU A 35 1.711 -3.831 -0.673 1.00 1.00 H new ATOM 0 HD12 LEU A 35 -0.001 -4.165 -0.319 1.00 1.00 H new ATOM 0 HD13 LEU A 35 0.477 -2.592 -1.001 1.00 1.00 H new ATOM 0 HD21 LEU A 35 2.991 -2.206 0.729 1.00 1.00 H new ATOM 0 HD22 LEU A 35 1.766 -0.955 0.408 1.00 1.00 H new ATOM 0 HD23 LEU A 35 2.193 -1.374 2.085 1.00 1.00 H new ATOM 503 N THR A 36 -1.715 -0.084 3.939 1.00 1.00 N ATOM 504 CA THR A 36 -2.975 0.428 4.485 1.00 1.00 C ATOM 505 C THR A 36 -3.548 1.535 3.609 1.00 1.00 C ATOM 506 O THR A 36 -2.933 2.585 3.427 1.00 1.00 O ATOM 507 CB THR A 36 -2.736 0.972 5.897 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.255 -0.075 6.728 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.047 1.515 6.466 1.00 1.00 C ATOM 0 H THR A 36 -0.971 0.610 3.870 1.00 1.00 H new ATOM 0 HA THR A 36 -3.692 -0.393 4.514 1.00 1.00 H new ATOM 0 HB THR A 36 -2.000 1.775 5.858 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.883 -0.827 6.704 1.00 1.00 H new ATOM 0 HG21 THR A 36 -3.875 1.902 7.471 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.417 2.317 5.827 1.00 1.00 H new ATOM 0 HG23 THR A 36 -4.785 0.714 6.507 1.00 1.00 H new ATOM 517 N LEU A 37 -4.750 1.295 3.090 1.00 1.00 N ATOM 518 CA LEU A 37 -5.440 2.270 2.250 1.00 1.00 C ATOM 519 C LEU A 37 -6.439 3.036 3.101 1.00 1.00 C ATOM 520 O LEU A 37 -7.217 2.434 3.837 1.00 1.00 O ATOM 521 CB LEU A 37 -6.175 1.551 1.110 1.00 1.00 C ATOM 522 CG LEU A 37 -6.995 2.553 0.279 1.00 1.00 C ATOM 523 CD1 LEU A 37 -6.077 3.637 -0.304 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.703 1.802 -0.858 1.00 1.00 C ATOM 0 H LEU A 37 -5.268 0.429 3.238 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.714 2.961 1.821 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.455 1.042 0.469 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.833 0.785 1.520 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.735 3.033 0.920 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.670 4.339 -0.890 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.581 4.169 0.508 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -5.327 3.173 -0.945 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -8.286 2.506 -1.451 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -6.960 1.320 -1.494 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.366 1.046 -0.437 1.00 1.00 H new ATOM 536 N ALA A 38 -6.414 4.362 3.006 1.00 1.00 N ATOM 537 CA ALA A 38 -7.330 5.184 3.793 1.00 1.00 C ATOM 538 C ALA A 38 -7.740 6.441 3.032 1.00 1.00 C ATOM 539 O ALA A 38 -7.011 6.927 2.169 1.00 1.00 O ATOM 540 CB ALA A 38 -6.657 5.576 5.113 1.00 1.00 C ATOM 0 H ALA A 38 -5.780 4.885 2.402 1.00 1.00 H new ATOM 0 HA ALA A 38 -8.229 4.601 3.992 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -7.339 6.189 5.701 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -6.403 4.676 5.673 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.749 6.142 4.904 1.00 1.00 H new ATOM 546 N GLN A 39 -8.917 6.962 3.372 1.00 1.00 N ATOM 547 CA GLN A 39 -9.449 8.173 2.742 1.00 1.00 C ATOM 548 C GLN A 39 -9.451 9.310 3.753 1.00 1.00 C ATOM 549 O GLN A 39 -10.059 9.201 4.819 1.00 1.00 O ATOM 550 CB GLN A 39 -10.880 7.911 2.252 1.00 1.00 C ATOM 551 CG GLN A 39 -11.498 9.181 1.656 1.00 1.00 C ATOM 552 CD GLN A 39 -12.930 8.886 1.240 1.00 1.00 C ATOM 553 OE1 GLN A 39 -13.168 8.025 0.392 1.00 1.00 O ATOM 554 NE2 GLN A 39 -13.906 9.535 1.807 1.00 1.00 N ATOM 0 H GLN A 39 -9.526 6.562 4.086 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.824 8.447 1.892 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.872 7.120 1.502 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.493 7.558 3.081 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -11.477 9.989 2.387 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.917 9.515 0.796 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -13.705 10.247 2.509 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -14.872 9.331 1.549 1.00 1.00 H new ATOM 563 N ARG A 40 -8.772 10.408 3.419 1.00 1.00 N ATOM 564 CA ARG A 40 -8.709 11.562 4.316 1.00 1.00 C ATOM 565 C ARG A 40 -8.984 12.851 3.550 1.00 1.00 C ATOM 566 O ARG A 40 -8.431 13.078 2.472 1.00 1.00 O ATOM 567 CB ARG A 40 -7.336 11.622 4.990 1.00 1.00 C ATOM 568 CG ARG A 40 -7.376 12.615 6.153 1.00 1.00 C ATOM 569 CD ARG A 40 -6.064 12.539 6.934 1.00 1.00 C ATOM 570 NE ARG A 40 -4.955 13.020 6.120 1.00 1.00 N ATOM 571 CZ ARG A 40 -3.701 12.925 6.551 1.00 1.00 C ATOM 572 NH1 ARG A 40 -3.453 12.385 7.711 1.00 1.00 N ATOM 573 NH2 ARG A 40 -2.720 13.372 5.814 1.00 1.00 N ATOM 0 H ARG A 40 -8.263 10.522 2.543 1.00 1.00 H new ATOM 0 HA ARG A 40 -9.475 11.453 5.084 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -7.055 10.633 5.353 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -6.578 11.924 4.267 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -7.529 13.626 5.776 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -8.216 12.389 6.810 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -6.140 13.135 7.843 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -5.877 11.510 7.242 1.00 1.00 H new ATOM 0 HE ARG A 40 -5.143 13.435 5.208 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -4.220 12.036 8.286 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -2.492 12.311 8.044 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -2.915 13.795 4.907 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -1.758 13.299 6.146 1.00 1.00 H new ATOM 587 N ASN A 41 -9.848 13.685 4.120 1.00 1.00 N ATOM 588 CA ASN A 41 -10.217 14.957 3.504 1.00 1.00 C ATOM 589 C ASN A 41 -10.871 14.747 2.139 1.00 1.00 C ATOM 590 O ASN A 41 -10.692 15.557 1.229 1.00 1.00 O ATOM 591 CB ASN A 41 -8.980 15.843 3.344 1.00 1.00 C ATOM 592 CG ASN A 41 -8.251 15.969 4.675 1.00 1.00 C ATOM 593 OD1 ASN A 41 -8.868 16.271 5.697 1.00 1.00 O ATOM 594 ND2 ASN A 41 -6.964 15.754 4.725 1.00 1.00 N ATOM 0 H ASN A 41 -10.308 13.502 5.012 1.00 1.00 H new ATOM 0 HA ASN A 41 -10.938 15.445 4.160 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -8.313 15.418 2.594 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -9.274 16.830 2.986 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -6.467 15.836 5.612 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -6.455 15.504 3.877 1.00 1.00 H new ATOM 601 N GLY A 42 -11.635 13.666 2.000 1.00 1.00 N ATOM 602 CA GLY A 42 -12.312 13.386 0.736 1.00 1.00 C ATOM 603 C GLY A 42 -11.310 13.012 -0.350 1.00 1.00 C ATOM 604 O GLY A 42 -11.570 13.196 -1.540 1.00 1.00 O ATOM 0 H GLY A 42 -11.800 12.978 2.735 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -13.025 12.573 0.874 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.883 14.261 0.424 1.00 1.00 H new ATOM 608 N GLN A 43 -10.159 12.496 0.073 1.00 1.00 N ATOM 609 CA GLN A 43 -9.100 12.099 -0.854 1.00 1.00 C ATOM 610 C GLN A 43 -8.544 10.733 -0.464 1.00 1.00 C ATOM 611 O GLN A 43 -8.434 10.418 0.716 1.00 1.00 O ATOM 612 CB GLN A 43 -7.987 13.155 -0.814 1.00 1.00 C ATOM 613 CG GLN A 43 -6.755 12.659 -1.570 1.00 1.00 C ATOM 614 CD GLN A 43 -5.746 13.793 -1.710 1.00 1.00 C ATOM 615 OE1 GLN A 43 -6.098 14.961 -1.538 1.00 1.00 O ATOM 616 NE2 GLN A 43 -4.504 13.523 -2.009 1.00 1.00 N ATOM 0 H GLN A 43 -9.934 12.342 1.056 1.00 1.00 H new ATOM 0 HA GLN A 43 -9.503 12.028 -1.864 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -8.343 14.085 -1.257 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -7.723 13.375 0.220 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -6.303 11.821 -1.039 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -7.044 12.293 -2.555 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -4.212 12.556 -2.151 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -3.825 14.279 -2.100 1.00 1.00 H new ATOM 625 N TYR A 44 -8.181 9.932 -1.462 1.00 1.00 N ATOM 626 CA TYR A 44 -7.622 8.606 -1.204 1.00 1.00 C ATOM 627 C TYR A 44 -6.109 8.697 -1.043 1.00 1.00 C ATOM 628 O TYR A 44 -5.438 9.384 -1.813 1.00 1.00 O ATOM 629 CB TYR A 44 -7.948 7.667 -2.367 1.00 1.00 C ATOM 630 CG TYR A 44 -9.434 7.392 -2.403 1.00 1.00 C ATOM 631 CD1 TYR A 44 -10.318 8.395 -2.821 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.931 6.138 -2.022 1.00 1.00 C ATOM 633 CE1 TYR A 44 -11.695 8.147 -2.858 1.00 1.00 C ATOM 634 CE2 TYR A 44 -11.309 5.889 -2.059 1.00 1.00 C ATOM 635 CZ TYR A 44 -12.191 6.893 -2.477 1.00 1.00 C ATOM 636 OH TYR A 44 -13.547 6.649 -2.514 1.00 1.00 O ATOM 0 H TYR A 44 -8.262 10.174 -2.450 1.00 1.00 H new ATOM 0 HA TYR A 44 -8.061 8.216 -0.286 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.629 8.115 -3.308 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -7.399 6.732 -2.256 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.936 9.361 -3.115 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -9.251 5.363 -1.700 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -12.375 8.922 -3.180 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.691 4.923 -1.765 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.722 5.731 -2.219 1.00 1.00 H new ATOM 646 N GLU A 45 -5.570 7.997 -0.045 1.00 1.00 N ATOM 647 CA GLU A 45 -4.125 8.004 0.195 1.00 1.00 C ATOM 648 C GLU A 45 -3.655 6.633 0.662 1.00 1.00 C ATOM 649 O GLU A 45 -4.363 5.931 1.382 1.00 1.00 O ATOM 650 CB GLU A 45 -3.761 9.071 1.237 1.00 1.00 C ATOM 651 CG GLU A 45 -4.345 8.709 2.605 1.00 1.00 C ATOM 652 CD GLU A 45 -4.035 9.815 3.608 1.00 1.00 C ATOM 653 OE1 GLU A 45 -4.114 10.970 3.227 1.00 1.00 O ATOM 654 OE2 GLU A 45 -3.723 9.488 4.741 1.00 1.00 O ATOM 0 H GLU A 45 -6.106 7.422 0.606 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.622 8.244 -0.742 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.677 9.161 1.310 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -4.140 10.042 0.919 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -5.423 8.570 2.525 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.926 7.764 2.951 1.00 1.00 H new ATOM 661 N LEU A 46 -2.449 6.257 0.238 1.00 1.00 N ATOM 662 CA LEU A 46 -1.869 4.962 0.602 1.00 1.00 C ATOM 663 C LEU A 46 -0.696 5.152 1.560 1.00 1.00 C ATOM 664 O LEU A 46 0.242 5.893 1.268 1.00 1.00 O ATOM 665 CB LEU A 46 -1.388 4.251 -0.671 1.00 1.00 C ATOM 666 CG LEU A 46 -0.716 2.913 -0.330 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.680 2.014 0.458 1.00 1.00 C ATOM 668 CD2 LEU A 46 -0.313 2.213 -1.632 1.00 1.00 C ATOM 0 H LEU A 46 -1.853 6.831 -0.359 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.628 4.358 1.100 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -2.233 4.079 -1.338 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.685 4.890 -1.206 1.00 1.00 H new ATOM 0 HG LEU A 46 0.165 3.101 0.284 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -1.188 1.070 0.692 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -1.967 2.512 1.384 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -2.570 1.821 -0.141 1.00 1.00 H new ATOM 0 HD21 LEU A 46 0.165 1.261 -1.400 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -1.201 2.035 -2.239 1.00 1.00 H new ATOM 0 HD23 LEU A 46 0.383 2.844 -2.184 1.00 1.00 H new ATOM 680 N ILE A 47 -0.753 4.470 2.703 1.00 1.00 N ATOM 681 CA ILE A 47 0.311 4.553 3.708 1.00 1.00 C ATOM 682 C ILE A 47 1.051 3.226 3.799 1.00 1.00 C ATOM 683 O ILE A 47 0.430 2.169 3.907 1.00 1.00 O ATOM 684 CB ILE A 47 -0.276 4.884 5.080 1.00 1.00 C ATOM 685 CG1 ILE A 47 -0.978 6.243 5.030 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.854 4.936 6.113 1.00 1.00 C ATOM 687 CD1 ILE A 47 -1.787 6.454 6.313 1.00 1.00 C ATOM 0 H ILE A 47 -1.524 3.853 2.958 1.00 1.00 H new ATOM 0 HA ILE A 47 1.001 5.341 3.407 1.00 1.00 H new ATOM 0 HB ILE A 47 -0.998 4.116 5.359 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.242 7.039 4.918 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -1.635 6.292 4.162 1.00 1.00 H new ATOM 0 HG21 ILE A 47 0.440 5.172 7.093 1.00 1.00 H new ATOM 0 HG22 ILE A 47 1.355 3.969 6.154 1.00 1.00 H new ATOM 0 HG23 ILE A 47 1.572 5.705 5.828 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -2.285 7.423 6.274 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -2.534 5.665 6.406 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.119 6.424 7.174 1.00 1.00 H new ATOM 699 N ILE A 48 2.378 3.285 3.769 1.00 1.00 N ATOM 700 CA ILE A 48 3.189 2.074 3.861 1.00 1.00 C ATOM 701 C ILE A 48 3.606 1.850 5.308 1.00 1.00 C ATOM 702 O ILE A 48 4.220 2.717 5.926 1.00 1.00 O ATOM 703 CB ILE A 48 4.440 2.211 2.990 1.00 1.00 C ATOM 704 CG1 ILE A 48 4.055 2.784 1.620 1.00 1.00 C ATOM 705 CG2 ILE A 48 5.090 0.839 2.816 1.00 1.00 C ATOM 706 CD1 ILE A 48 2.910 1.971 1.013 1.00 1.00 C ATOM 0 H ILE A 48 2.912 4.150 3.683 1.00 1.00 H new ATOM 0 HA ILE A 48 2.600 1.226 3.511 1.00 1.00 H new ATOM 0 HB ILE A 48 5.147 2.886 3.472 1.00 1.00 H new ATOM 0 HG12 ILE A 48 3.755 3.827 1.724 1.00 1.00 H new ATOM 0 HG13 ILE A 48 4.918 2.765 0.954 1.00 1.00 H new ATOM 0 HG21 ILE A 48 5.981 0.935 2.196 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.368 0.442 3.792 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.385 0.161 2.336 1.00 1.00 H new ATOM 0 HD11 ILE A 48 2.645 2.386 0.041 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.224 0.934 0.891 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.044 2.012 1.674 1.00 1.00 H new ATOM 718 N GLN A 49 3.256 0.687 5.847 1.00 1.00 N ATOM 719 CA GLN A 49 3.585 0.359 7.233 1.00 1.00 C ATOM 720 C GLN A 49 4.692 -0.686 7.294 1.00 1.00 C ATOM 721 O GLN A 49 4.579 -1.760 6.710 1.00 1.00 O ATOM 722 CB GLN A 49 2.341 -0.185 7.934 1.00 1.00 C ATOM 723 CG GLN A 49 1.224 0.859 7.874 1.00 1.00 C ATOM 724 CD GLN A 49 1.621 2.109 8.650 1.00 1.00 C ATOM 725 OE1 GLN A 49 2.341 2.963 8.132 1.00 1.00 O ATOM 726 NE2 GLN A 49 1.196 2.262 9.872 1.00 1.00 N ATOM 0 H GLN A 49 2.746 -0.043 5.349 1.00 1.00 H new ATOM 0 HA GLN A 49 3.931 1.265 7.731 1.00 1.00 H new ATOM 0 HB2 GLN A 49 2.016 -1.109 7.456 1.00 1.00 H new ATOM 0 HB3 GLN A 49 2.572 -0.427 8.971 1.00 1.00 H new ATOM 0 HG2 GLN A 49 1.016 1.119 6.836 1.00 1.00 H new ATOM 0 HG3 GLN A 49 0.306 0.442 8.288 1.00 1.00 H new ATOM 0 HE21 GLN A 49 0.600 1.552 10.297 1.00 1.00 H new ATOM 0 HE22 GLN A 49 1.460 3.092 10.403 1.00 1.00 H new ATOM 735 N LEU A 50 5.759 -0.362 8.017 1.00 1.00 N ATOM 736 CA LEU A 50 6.898 -1.275 8.173 1.00 1.00 C ATOM 737 C LEU A 50 6.946 -1.802 9.604 1.00 1.00 C ATOM 738 O LEU A 50 6.769 -1.050 10.560 1.00 1.00 O ATOM 739 CB LEU A 50 8.212 -0.542 7.838 1.00 1.00 C ATOM 740 CG LEU A 50 8.506 -0.632 6.334 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.320 -0.084 5.533 1.00 1.00 C ATOM 742 CD2 LEU A 50 9.762 0.186 6.019 1.00 1.00 C ATOM 0 H LEU A 50 5.864 0.526 8.507 1.00 1.00 H new ATOM 0 HA LEU A 50 6.777 -2.114 7.488 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.140 0.503 8.139 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.035 -0.980 8.403 1.00 1.00 H new ATOM 0 HG LEU A 50 8.665 -1.674 6.058 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.538 -0.152 4.467 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.428 -0.668 5.759 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.149 0.958 5.803 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.977 0.127 4.952 1.00 1.00 H new ATOM 0 HD22 LEU A 50 9.598 1.227 6.299 1.00 1.00 H new ATOM 0 HD23 LEU A 50 10.606 -0.212 6.582 1.00 1.00 H new ATOM 754 N HIS A 51 7.184 -3.106 9.745 1.00 1.00 N ATOM 755 CA HIS A 51 7.253 -3.735 11.064 1.00 1.00 C ATOM 756 C HIS A 51 8.703 -4.032 11.432 1.00 1.00 C ATOM 757 O HIS A 51 8.972 -4.874 12.291 1.00 1.00 O ATOM 758 CB HIS A 51 6.443 -5.034 11.067 1.00 1.00 C ATOM 759 CG HIS A 51 5.179 -4.836 10.276 1.00 1.00 C ATOM 760 ND1 HIS A 51 4.305 -3.791 10.530 1.00 1.00 N ATOM 761 CD2 HIS A 51 4.634 -5.538 9.229 1.00 1.00 C ATOM 762 CE1 HIS A 51 3.290 -3.891 9.651 1.00 1.00 C ATOM 763 NE2 HIS A 51 3.442 -4.938 8.835 1.00 1.00 N ATOM 0 H HIS A 51 7.332 -3.746 8.965 1.00 1.00 H new ATOM 0 HA HIS A 51 6.834 -3.049 11.800 1.00 1.00 H new ATOM 0 HB2 HIS A 51 7.032 -5.844 10.636 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.203 -5.324 12.090 1.00 1.00 H new ATOM 0 HD1 HIS A 51 4.411 -3.077 11.251 1.00 1.00 H new ATOM 0 HD2 HIS A 51 5.065 -6.421 8.780 1.00 1.00 H new ATOM 0 HE1 HIS A 51 2.454 -3.208 9.610 1.00 1.00 H new ATOM 771 N GLU A 52 9.636 -3.342 10.779 1.00 1.00 N ATOM 772 CA GLU A 52 11.059 -3.548 11.048 1.00 1.00 C ATOM 773 C GLU A 52 11.305 -3.719 12.544 1.00 1.00 C ATOM 774 O GLU A 52 10.679 -3.051 13.368 1.00 1.00 O ATOM 775 CB GLU A 52 11.872 -2.359 10.531 1.00 1.00 C ATOM 776 CG GLU A 52 11.887 -2.365 9.001 1.00 1.00 C ATOM 777 CD GLU A 52 12.583 -1.108 8.482 1.00 1.00 C ATOM 778 OE1 GLU A 52 13.028 -0.320 9.302 1.00 1.00 O ATOM 779 OE2 GLU A 52 12.659 -0.951 7.275 1.00 1.00 O ATOM 0 H GLU A 52 9.436 -2.641 10.066 1.00 1.00 H new ATOM 0 HA GLU A 52 11.374 -4.455 10.532 1.00 1.00 H new ATOM 0 HB2 GLU A 52 11.441 -1.427 10.896 1.00 1.00 H new ATOM 0 HB3 GLU A 52 12.891 -2.410 10.914 1.00 1.00 H new ATOM 0 HG2 GLU A 52 12.403 -3.253 8.637 1.00 1.00 H new ATOM 0 HG3 GLU A 52 10.867 -2.410 8.619 1.00 1.00 H new ATOM 786 N LYS A 53 12.213 -4.625 12.886 1.00 1.00 N ATOM 787 CA LYS A 53 12.529 -4.886 14.284 1.00 1.00 C ATOM 788 C LYS A 53 13.092 -3.634 14.946 1.00 1.00 C ATOM 789 O LYS A 53 12.783 -3.337 16.100 1.00 1.00 O ATOM 790 CB LYS A 53 13.545 -6.026 14.386 1.00 1.00 C ATOM 791 CG LYS A 53 12.898 -7.328 13.906 1.00 1.00 C ATOM 792 CD LYS A 53 13.904 -8.475 14.026 1.00 1.00 C ATOM 793 CE LYS A 53 13.259 -9.776 13.544 1.00 1.00 C ATOM 794 NZ LYS A 53 14.246 -10.889 13.650 1.00 1.00 N ATOM 0 H LYS A 53 12.740 -5.188 12.219 1.00 1.00 H new ATOM 0 HA LYS A 53 11.612 -5.173 14.799 1.00 1.00 H new ATOM 0 HB2 LYS A 53 14.424 -5.800 13.782 1.00 1.00 H new ATOM 0 HB3 LYS A 53 13.885 -6.134 15.416 1.00 1.00 H new ATOM 0 HG2 LYS A 53 12.010 -7.546 14.500 1.00 1.00 H new ATOM 0 HG3 LYS A 53 12.571 -7.224 12.871 1.00 1.00 H new ATOM 0 HD2 LYS A 53 14.792 -8.256 13.433 1.00 1.00 H new ATOM 0 HD3 LYS A 53 14.229 -8.580 15.061 1.00 1.00 H new ATOM 0 HE2 LYS A 53 12.376 -10.000 14.143 1.00 1.00 H new ATOM 0 HE3 LYS A 53 12.925 -9.668 12.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 13.808 -11.774 13.322 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 15.076 -10.675 13.061 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 14.543 -10.996 14.641 1.00 1.00 H new ATOM 808 N GLU A 54 13.925 -2.907 14.212 1.00 1.00 N ATOM 809 CA GLU A 54 14.532 -1.691 14.745 1.00 1.00 C ATOM 810 C GLU A 54 13.452 -0.699 15.166 1.00 1.00 C ATOM 811 O GLU A 54 13.457 -0.199 16.289 1.00 1.00 O ATOM 812 CB GLU A 54 15.411 -1.040 13.674 1.00 1.00 C ATOM 813 CG GLU A 54 16.486 -2.026 13.230 1.00 1.00 C ATOM 814 CD GLU A 54 17.427 -2.334 14.390 1.00 1.00 C ATOM 815 OE1 GLU A 54 17.452 -1.558 15.330 1.00 1.00 O ATOM 816 OE2 GLU A 54 18.106 -3.347 14.323 1.00 1.00 O ATOM 0 H GLU A 54 14.195 -3.134 13.255 1.00 1.00 H new ATOM 0 HA GLU A 54 15.136 -1.958 15.612 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.802 -0.741 12.821 1.00 1.00 H new ATOM 0 HB3 GLU A 54 15.873 -0.135 14.068 1.00 1.00 H new ATOM 0 HG2 GLU A 54 16.022 -2.946 12.874 1.00 1.00 H new ATOM 0 HG3 GLU A 54 17.050 -1.610 12.395 1.00 1.00 H new ATOM 823 N GLN A 55 12.528 -0.425 14.252 1.00 1.00 N ATOM 824 CA GLN A 55 11.441 0.510 14.530 1.00 1.00 C ATOM 825 C GLN A 55 10.440 0.537 13.381 1.00 1.00 C ATOM 826 O GLN A 55 10.809 0.380 12.219 1.00 1.00 O ATOM 827 CB GLN A 55 12.004 1.919 14.747 1.00 1.00 C ATOM 828 CG GLN A 55 10.859 2.894 15.035 1.00 1.00 C ATOM 829 CD GLN A 55 11.422 4.255 15.429 1.00 1.00 C ATOM 830 OE1 GLN A 55 12.588 4.360 15.806 1.00 1.00 O ATOM 831 NE2 GLN A 55 10.657 5.310 15.362 1.00 1.00 N ATOM 0 H GLN A 55 12.508 -0.833 13.318 1.00 1.00 H new ATOM 0 HA GLN A 55 10.929 0.176 15.433 1.00 1.00 H new ATOM 0 HB2 GLN A 55 12.709 1.915 15.578 1.00 1.00 H new ATOM 0 HB3 GLN A 55 12.555 2.241 13.863 1.00 1.00 H new ATOM 0 HG2 GLN A 55 10.225 2.994 14.154 1.00 1.00 H new ATOM 0 HG3 GLN A 55 10.231 2.505 15.837 1.00 1.00 H new ATOM 0 HE21 GLN A 55 9.690 5.220 15.049 1.00 1.00 H new ATOM 0 HE22 GLN A 55 11.026 6.225 15.623 1.00 1.00 H new ATOM 840 N HIS A 56 9.171 0.751 13.716 1.00 1.00 N ATOM 841 CA HIS A 56 8.126 0.810 12.702 1.00 1.00 C ATOM 842 C HIS A 56 8.187 2.142 11.963 1.00 1.00 C ATOM 843 O HIS A 56 7.922 3.194 12.541 1.00 1.00 O ATOM 844 CB HIS A 56 6.751 0.655 13.354 1.00 1.00 C ATOM 845 CG HIS A 56 6.530 1.787 14.320 1.00 1.00 C ATOM 846 ND1 HIS A 56 5.826 2.930 13.972 1.00 1.00 N ATOM 847 CD2 HIS A 56 6.919 1.970 15.623 1.00 1.00 C ATOM 848 CE1 HIS A 56 5.814 3.742 15.044 1.00 1.00 C ATOM 849 NE2 HIS A 56 6.466 3.204 16.080 1.00 1.00 N ATOM 0 H HIS A 56 8.844 0.885 14.673 1.00 1.00 H new ATOM 0 HA HIS A 56 8.284 -0.003 11.994 1.00 1.00 H new ATOM 0 HB2 HIS A 56 5.972 0.655 12.592 1.00 1.00 H new ATOM 0 HB3 HIS A 56 6.688 -0.301 13.875 1.00 1.00 H new ATOM 0 HD2 HIS A 56 7.491 1.263 16.206 1.00 1.00 H new ATOM 0 HE1 HIS A 56 5.336 4.710 15.065 1.00 1.00 H new ATOM 0 HE2 HIS A 56 6.602 3.610 17.006 1.00 1.00 H new ATOM 857 N VAL A 57 8.546 2.087 10.682 1.00 1.00 N ATOM 858 CA VAL A 57 8.647 3.300 9.869 1.00 1.00 C ATOM 859 C VAL A 57 7.319 3.589 9.182 1.00 1.00 C ATOM 860 O VAL A 57 6.700 2.697 8.599 1.00 1.00 O ATOM 861 CB VAL A 57 9.737 3.135 8.814 1.00 1.00 C ATOM 862 CG1 VAL A 57 10.070 4.499 8.206 1.00 1.00 C ATOM 863 CG2 VAL A 57 10.988 2.535 9.460 1.00 1.00 C ATOM 0 H VAL A 57 8.770 1.224 10.187 1.00 1.00 H new ATOM 0 HA VAL A 57 8.900 4.134 10.524 1.00 1.00 H new ATOM 0 HB VAL A 57 9.385 2.468 8.027 1.00 1.00 H new ATOM 0 HG11 VAL A 57 10.849 4.381 7.452 1.00 1.00 H new ATOM 0 HG12 VAL A 57 9.177 4.919 7.743 1.00 1.00 H new ATOM 0 HG13 VAL A 57 10.422 5.170 8.989 1.00 1.00 H new ATOM 0 HG21 VAL A 57 11.766 2.417 8.706 1.00 1.00 H new ATOM 0 HG22 VAL A 57 11.344 3.198 10.248 1.00 1.00 H new ATOM 0 HG23 VAL A 57 10.746 1.562 9.886 1.00 1.00 H new ATOM 873 N GLN A 58 6.885 4.840 9.264 1.00 1.00 N ATOM 874 CA GLN A 58 5.619 5.258 8.656 1.00 1.00 C ATOM 875 C GLN A 58 5.870 6.211 7.493 1.00 1.00 C ATOM 876 O GLN A 58 6.405 7.305 7.675 1.00 1.00 O ATOM 877 CB GLN A 58 4.755 5.958 9.707 1.00 1.00 C ATOM 878 CG GLN A 58 3.388 6.304 9.109 1.00 1.00 C ATOM 879 CD GLN A 58 2.536 7.012 10.154 1.00 1.00 C ATOM 880 OE1 GLN A 58 1.439 6.450 10.574 1.00 1.00 O flip ATOM 881 NE2 GLN A 58 2.882 8.105 10.602 1.00 1.00 N flip ATOM 0 H GLN A 58 7.388 5.586 9.745 1.00 1.00 H new ATOM 0 HA GLN A 58 5.104 4.374 8.280 1.00 1.00 H new ATOM 0 HB2 GLN A 58 4.629 5.312 10.576 1.00 1.00 H new ATOM 0 HB3 GLN A 58 5.251 6.865 10.053 1.00 1.00 H new ATOM 0 HG2 GLN A 58 3.514 6.943 8.235 1.00 1.00 H new ATOM 0 HG3 GLN A 58 2.887 5.396 8.772 1.00 1.00 H new ATOM 0 HE21 GLN A 58 3.742 8.543 10.271 1.00 1.00 H new ATOM 0 HE22 GLN A 58 2.309 8.573 11.304 1.00 1.00 H new ATOM 890 N ASP A 59 5.461 5.792 6.296 1.00 1.00 N ATOM 891 CA ASP A 59 5.621 6.612 5.094 1.00 1.00 C ATOM 892 C ASP A 59 4.262 6.862 4.451 1.00 1.00 C ATOM 893 O ASP A 59 3.505 5.926 4.197 1.00 1.00 O ATOM 894 CB ASP A 59 6.539 5.903 4.097 1.00 1.00 C ATOM 895 CG ASP A 59 7.969 5.893 4.626 1.00 1.00 C ATOM 896 OD1 ASP A 59 8.250 6.656 5.536 1.00 1.00 O ATOM 897 OD2 ASP A 59 8.764 5.121 4.115 1.00 1.00 O ATOM 0 H ASP A 59 5.016 4.889 6.132 1.00 1.00 H new ATOM 0 HA ASP A 59 6.066 7.567 5.375 1.00 1.00 H new ATOM 0 HB2 ASP A 59 6.195 4.882 3.935 1.00 1.00 H new ATOM 0 HB3 ASP A 59 6.502 6.409 3.132 1.00 1.00 H new ATOM 902 N ILE A 60 3.952 8.131 4.196 1.00 1.00 N ATOM 903 CA ILE A 60 2.674 8.496 3.587 1.00 1.00 C ATOM 904 C ILE A 60 2.850 8.762 2.096 1.00 1.00 C ATOM 905 O ILE A 60 3.688 9.567 1.689 1.00 1.00 O ATOM 906 CB ILE A 60 2.113 9.744 4.272 1.00 1.00 C ATOM 907 CG1 ILE A 60 1.901 9.455 5.760 1.00 1.00 C ATOM 908 CG2 ILE A 60 0.776 10.123 3.634 1.00 1.00 C ATOM 909 CD1 ILE A 60 1.594 10.761 6.496 1.00 1.00 C ATOM 0 H ILE A 60 4.564 8.921 4.400 1.00 1.00 H new ATOM 0 HA ILE A 60 1.977 7.668 3.714 1.00 1.00 H new ATOM 0 HB ILE A 60 2.817 10.568 4.155 1.00 1.00 H new ATOM 0 HG12 ILE A 60 1.080 8.750 5.891 1.00 1.00 H new ATOM 0 HG13 ILE A 60 2.792 8.989 6.181 1.00 1.00 H new ATOM 0 HG21 ILE A 60 0.378 11.012 4.123 1.00 1.00 H new ATOM 0 HG22 ILE A 60 0.924 10.328 2.574 1.00 1.00 H new ATOM 0 HG23 ILE A 60 0.071 9.299 3.749 1.00 1.00 H new ATOM 0 HD11 ILE A 60 1.443 10.555 7.556 1.00 1.00 H new ATOM 0 HD12 ILE A 60 2.429 11.451 6.376 1.00 1.00 H new ATOM 0 HD13 ILE A 60 0.691 11.209 6.081 1.00 1.00 H new ATOM 921 N ILE A 61 2.050 8.066 1.288 1.00 1.00 N ATOM 922 CA ILE A 61 2.107 8.204 -0.168 1.00 1.00 C ATOM 923 C ILE A 61 0.705 8.445 -0.738 1.00 1.00 C ATOM 924 O ILE A 61 -0.020 7.489 -1.019 1.00 1.00 O ATOM 925 CB ILE A 61 2.675 6.921 -0.779 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.021 6.593 -0.119 1.00 1.00 C ATOM 927 CG2 ILE A 61 2.868 7.119 -2.287 1.00 1.00 C ATOM 928 CD1 ILE A 61 4.513 5.223 -0.591 1.00 1.00 C ATOM 0 H ILE A 61 1.353 7.399 1.618 1.00 1.00 H new ATOM 0 HA ILE A 61 2.745 9.053 -0.413 1.00 1.00 H new ATOM 0 HB ILE A 61 1.983 6.096 -0.610 1.00 1.00 H new ATOM 0 HG12 ILE A 61 4.755 7.359 -0.370 1.00 1.00 H new ATOM 0 HG13 ILE A 61 3.914 6.597 0.966 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.273 6.207 -2.725 1.00 1.00 H new ATOM 0 HG22 ILE A 61 1.908 7.349 -2.750 1.00 1.00 H new ATOM 0 HG23 ILE A 61 3.561 7.943 -2.460 1.00 1.00 H new ATOM 0 HD11 ILE A 61 5.469 4.997 -0.118 1.00 1.00 H new ATOM 0 HD12 ILE A 61 3.784 4.460 -0.318 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.637 5.234 -1.674 1.00 1.00 H new ATOM 940 N PRO A 62 0.303 9.682 -0.918 1.00 1.00 N ATOM 941 CA PRO A 62 -1.048 10.007 -1.468 1.00 1.00 C ATOM 942 C PRO A 62 -1.293 9.362 -2.834 1.00 1.00 C ATOM 943 O PRO A 62 -0.376 9.228 -3.644 1.00 1.00 O ATOM 944 CB PRO A 62 -1.051 11.546 -1.564 1.00 1.00 C ATOM 945 CG PRO A 62 0.006 11.998 -0.608 1.00 1.00 C ATOM 946 CD PRO A 62 1.070 10.903 -0.612 1.00 1.00 C ATOM 0 HA PRO A 62 -1.847 9.620 -0.836 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -0.833 11.878 -2.579 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -2.025 11.956 -1.297 1.00 1.00 H new ATOM 0 HG2 PRO A 62 0.429 12.954 -0.916 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -0.406 12.139 0.391 1.00 1.00 H new ATOM 0 HD2 PRO A 62 1.839 11.093 -1.361 1.00 1.00 H new ATOM 0 HD3 PRO A 62 1.575 10.830 0.351 1.00 1.00 H new ATOM 954 N ILE A 63 -2.541 8.964 -3.072 1.00 1.00 N ATOM 955 CA ILE A 63 -2.916 8.331 -4.333 1.00 1.00 C ATOM 956 C ILE A 63 -3.258 9.390 -5.376 1.00 1.00 C ATOM 957 O ILE A 63 -4.200 10.164 -5.207 1.00 1.00 O ATOM 958 CB ILE A 63 -4.119 7.413 -4.099 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.688 6.243 -3.205 1.00 1.00 C ATOM 960 CG2 ILE A 63 -4.636 6.874 -5.435 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.919 5.482 -2.698 1.00 1.00 C ATOM 0 H ILE A 63 -3.309 9.069 -2.408 1.00 1.00 H new ATOM 0 HA ILE A 63 -2.077 7.742 -4.704 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.916 7.977 -3.614 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -3.039 5.569 -3.764 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -3.108 6.616 -2.360 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -5.492 6.222 -5.258 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.939 7.706 -6.070 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.846 6.309 -5.930 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -4.600 4.654 -2.065 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -5.552 6.157 -2.122 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -5.482 5.093 -3.547 1.00 1.00 H new ATOM 973 N ASN A 64 -2.478 9.409 -6.453 1.00 1.00 N ATOM 974 CA ASN A 64 -2.678 10.368 -7.534 1.00 1.00 C ATOM 975 C ASN A 64 -1.688 10.098 -8.666 1.00 1.00 C ATOM 976 O ASN A 64 -1.137 9.001 -8.771 1.00 1.00 O ATOM 977 CB ASN A 64 -2.486 11.798 -7.018 1.00 1.00 C ATOM 978 CG ASN A 64 -1.074 11.969 -6.471 1.00 1.00 C ATOM 979 OD1 ASN A 64 -0.220 11.104 -6.673 1.00 1.00 O ATOM 980 ND2 ASN A 64 -0.775 13.038 -5.787 1.00 1.00 N ATOM 0 H ASN A 64 -1.698 8.768 -6.600 1.00 1.00 H new ATOM 0 HA ASN A 64 -3.695 10.257 -7.910 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -2.662 12.511 -7.824 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -3.216 12.013 -6.237 1.00 1.00 H new ATOM 0 HD21 ASN A 64 0.168 13.160 -5.418 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -1.484 13.752 -5.621 1.00 1.00 H new ATOM 987 N SER A 65 -1.472 11.099 -9.513 1.00 1.00 N ATOM 988 CA SER A 65 -0.553 10.955 -10.638 1.00 1.00 C ATOM 989 C SER A 65 0.886 10.762 -10.158 1.00 1.00 C ATOM 990 O SER A 65 1.721 10.218 -10.882 1.00 1.00 O ATOM 991 CB SER A 65 -0.627 12.197 -11.527 1.00 1.00 C ATOM 992 OG SER A 65 -0.261 13.341 -10.768 1.00 1.00 O ATOM 0 H SER A 65 -1.917 12.014 -9.443 1.00 1.00 H new ATOM 0 HA SER A 65 -0.849 10.072 -11.204 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.039 12.086 -12.383 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.636 12.316 -11.922 1.00 1.00 H new ATOM 0 HG SER A 65 -0.306 14.138 -11.336 1.00 1.00 H new ATOM 998 N HIS A 66 1.173 11.214 -8.940 1.00 1.00 N ATOM 999 CA HIS A 66 2.520 11.088 -8.382 1.00 1.00 C ATOM 1000 C HIS A 66 2.726 9.713 -7.755 1.00 1.00 C ATOM 1001 O HIS A 66 3.849 9.346 -7.405 1.00 1.00 O ATOM 1002 CB HIS A 66 2.750 12.168 -7.325 1.00 1.00 C ATOM 1003 CG HIS A 66 2.557 13.527 -7.940 1.00 1.00 C ATOM 1004 ND1 HIS A 66 3.506 14.106 -8.767 1.00 1.00 N ATOM 1005 CD2 HIS A 66 1.528 14.432 -7.857 1.00 1.00 C ATOM 1006 CE1 HIS A 66 3.035 15.308 -9.145 1.00 1.00 C ATOM 1007 NE2 HIS A 66 1.833 15.556 -8.617 1.00 1.00 N ATOM 0 H HIS A 66 0.499 11.667 -8.324 1.00 1.00 H new ATOM 0 HA HIS A 66 3.236 11.211 -9.195 1.00 1.00 H new ATOM 0 HB2 HIS A 66 2.057 12.032 -6.495 1.00 1.00 H new ATOM 0 HB3 HIS A 66 3.757 12.082 -6.917 1.00 1.00 H new ATOM 0 HD2 HIS A 66 0.620 14.292 -7.288 1.00 1.00 H new ATOM 0 HE1 HIS A 66 3.564 15.989 -9.795 1.00 1.00 H new ATOM 0 HE2 HIS A 66 1.261 16.391 -8.744 1.00 1.00 H new ATOM 1015 N PHE A 67 1.641 8.954 -7.614 1.00 1.00 N ATOM 1016 CA PHE A 67 1.705 7.613 -7.027 1.00 1.00 C ATOM 1017 C PHE A 67 1.361 6.565 -8.078 1.00 1.00 C ATOM 1018 O PHE A 67 0.341 6.662 -8.758 1.00 1.00 O ATOM 1019 CB PHE A 67 0.723 7.516 -5.847 1.00 1.00 C ATOM 1020 CG PHE A 67 0.435 6.062 -5.509 1.00 1.00 C ATOM 1021 CD1 PHE A 67 1.402 5.278 -4.870 1.00 1.00 C ATOM 1022 CD2 PHE A 67 -0.803 5.504 -5.847 1.00 1.00 C ATOM 1023 CE1 PHE A 67 1.126 3.937 -4.567 1.00 1.00 C ATOM 1024 CE2 PHE A 67 -1.078 4.165 -5.544 1.00 1.00 C ATOM 1025 CZ PHE A 67 -0.112 3.382 -4.903 1.00 1.00 C ATOM 0 H PHE A 67 0.705 9.243 -7.898 1.00 1.00 H new ATOM 0 HA PHE A 67 2.717 7.430 -6.667 1.00 1.00 H new ATOM 0 HB2 PHE A 67 1.141 8.021 -4.976 1.00 1.00 H new ATOM 0 HB3 PHE A 67 -0.206 8.028 -6.097 1.00 1.00 H new ATOM 0 HD1 PHE A 67 2.359 5.705 -4.611 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -1.548 6.108 -6.343 1.00 1.00 H new ATOM 0 HE1 PHE A 67 1.872 3.332 -4.073 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -2.035 3.737 -5.805 1.00 1.00 H new ATOM 0 HZ PHE A 67 -0.323 2.349 -4.668 1.00 1.00 H new ATOM 1035 N ARG A 68 2.216 5.552 -8.191 1.00 1.00 N ATOM 1036 CA ARG A 68 1.996 4.467 -9.145 1.00 1.00 C ATOM 1037 C ARG A 68 2.124 3.115 -8.472 1.00 1.00 C ATOM 1038 O ARG A 68 2.791 2.965 -7.447 1.00 1.00 O ATOM 1039 CB ARG A 68 2.988 4.544 -10.305 1.00 1.00 C ATOM 1040 CG ARG A 68 2.582 5.657 -11.264 1.00 1.00 C ATOM 1041 CD ARG A 68 3.525 5.629 -12.457 1.00 1.00 C ATOM 1042 NE ARG A 68 3.339 4.393 -13.211 1.00 1.00 N ATOM 1043 CZ ARG A 68 4.087 4.117 -14.273 1.00 1.00 C ATOM 1044 NH1 ARG A 68 4.974 4.981 -14.687 1.00 1.00 N ATOM 1045 NH2 ARG A 68 3.928 2.987 -14.908 1.00 1.00 N ATOM 0 H ARG A 68 3.066 5.459 -7.635 1.00 1.00 H new ATOM 0 HA ARG A 68 0.983 4.581 -9.532 1.00 1.00 H new ATOM 0 HB2 ARG A 68 3.992 4.729 -9.924 1.00 1.00 H new ATOM 0 HB3 ARG A 68 3.018 3.591 -10.833 1.00 1.00 H new ATOM 0 HG2 ARG A 68 1.552 5.519 -11.591 1.00 1.00 H new ATOM 0 HG3 ARG A 68 2.631 6.625 -10.765 1.00 1.00 H new ATOM 0 HD2 ARG A 68 3.337 6.489 -13.100 1.00 1.00 H new ATOM 0 HD3 ARG A 68 4.558 5.705 -12.117 1.00 1.00 H new ATOM 0 HE ARG A 68 2.622 3.730 -12.917 1.00 1.00 H new ATOM 0 HH11 ARG A 68 5.092 5.867 -14.195 1.00 1.00 H new ATOM 0 HH12 ARG A 68 5.549 4.770 -15.503 1.00 1.00 H new ATOM 0 HH21 ARG A 68 3.229 2.316 -14.588 1.00 1.00 H new ATOM 0 HH22 ARG A 68 4.503 2.775 -15.724 1.00 1.00 H new ATOM 1059 N CYS A 69 1.475 2.136 -9.078 1.00 1.00 N ATOM 1060 CA CYS A 69 1.490 0.766 -8.574 1.00 1.00 C ATOM 1061 C CYS A 69 1.486 -0.214 -9.742 1.00 1.00 C ATOM 1062 O CYS A 69 0.441 -0.473 -10.336 1.00 1.00 O ATOM 1063 CB CYS A 69 0.262 0.522 -7.696 1.00 1.00 C ATOM 1064 SG CYS A 69 -1.238 0.822 -8.663 1.00 1.00 S ATOM 0 H CYS A 69 0.925 2.263 -9.928 1.00 1.00 H new ATOM 0 HA CYS A 69 2.392 0.616 -7.980 1.00 1.00 H new ATOM 0 HB2 CYS A 69 0.267 -0.501 -7.321 1.00 1.00 H new ATOM 0 HB3 CYS A 69 0.286 1.180 -6.828 1.00 1.00 H new ATOM 0 HG CYS A 69 -1.127 0.250 -9.825 1.00 1.00 H new ATOM 1070 N VAL A 70 2.656 -0.754 -10.080 1.00 1.00 N ATOM 1071 CA VAL A 70 2.755 -1.699 -11.199 1.00 1.00 C ATOM 1072 C VAL A 70 2.859 -3.128 -10.686 1.00 1.00 C ATOM 1073 O VAL A 70 3.758 -3.457 -9.918 1.00 1.00 O ATOM 1074 CB VAL A 70 3.982 -1.361 -12.048 1.00 1.00 C ATOM 1075 CG1 VAL A 70 3.842 0.063 -12.594 1.00 1.00 C ATOM 1076 CG2 VAL A 70 5.246 -1.454 -11.184 1.00 1.00 C ATOM 0 H VAL A 70 3.538 -0.560 -9.606 1.00 1.00 H new ATOM 0 HA VAL A 70 1.855 -1.616 -11.809 1.00 1.00 H new ATOM 0 HB VAL A 70 4.057 -2.066 -12.876 1.00 1.00 H new ATOM 0 HG11 VAL A 70 4.715 0.308 -13.200 1.00 1.00 H new ATOM 0 HG12 VAL A 70 2.944 0.131 -13.208 1.00 1.00 H new ATOM 0 HG13 VAL A 70 3.768 0.765 -11.764 1.00 1.00 H new ATOM 0 HG21 VAL A 70 6.119 -1.213 -11.790 1.00 1.00 H new ATOM 0 HG22 VAL A 70 5.173 -0.749 -10.356 1.00 1.00 H new ATOM 0 HG23 VAL A 70 5.345 -2.466 -10.791 1.00 1.00 H new ATOM 1086 N GLN A 71 1.921 -3.974 -11.113 1.00 1.00 N ATOM 1087 CA GLN A 71 1.891 -5.374 -10.686 1.00 1.00 C ATOM 1088 C GLN A 71 2.517 -6.284 -11.743 1.00 1.00 C ATOM 1089 O GLN A 71 2.111 -6.278 -12.905 1.00 1.00 O ATOM 1090 CB GLN A 71 0.437 -5.791 -10.439 1.00 1.00 C ATOM 1091 CG GLN A 71 0.379 -7.243 -9.961 1.00 1.00 C ATOM 1092 CD GLN A 71 -1.031 -7.583 -9.496 1.00 1.00 C ATOM 1093 OE1 GLN A 71 -1.829 -6.687 -9.222 1.00 1.00 O ATOM 1094 NE2 GLN A 71 -1.386 -8.832 -9.390 1.00 1.00 N ATOM 0 H GLN A 71 1.172 -3.715 -11.754 1.00 1.00 H new ATOM 0 HA GLN A 71 2.470 -5.473 -9.768 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -0.015 -5.137 -9.694 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -0.142 -5.679 -11.356 1.00 1.00 H new ATOM 0 HG2 GLN A 71 0.676 -7.912 -10.769 1.00 1.00 H new ATOM 0 HG3 GLN A 71 1.086 -7.394 -9.145 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -0.722 -9.572 -9.618 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -2.328 -9.070 -9.079 1.00 1.00 H new ATOM 1103 N GLU A 72 3.504 -7.072 -11.321 1.00 1.00 N ATOM 1104 CA GLU A 72 4.185 -8.001 -12.222 1.00 1.00 C ATOM 1105 C GLU A 72 4.570 -7.314 -13.518 1.00 1.00 C ATOM 1106 O GLU A 72 4.830 -7.963 -14.529 1.00 1.00 O ATOM 1107 CB GLU A 72 3.269 -9.178 -12.524 1.00 1.00 C ATOM 1108 CG GLU A 72 2.986 -9.908 -11.222 1.00 1.00 C ATOM 1109 CD GLU A 72 2.009 -11.054 -11.464 1.00 1.00 C ATOM 1110 OE1 GLU A 72 1.676 -11.289 -12.614 1.00 1.00 O ATOM 1111 OE2 GLU A 72 1.608 -11.681 -10.497 1.00 1.00 O ATOM 0 H GLU A 72 3.850 -7.086 -10.362 1.00 1.00 H new ATOM 0 HA GLU A 72 5.094 -8.353 -11.734 1.00 1.00 H new ATOM 0 HB2 GLU A 72 2.339 -8.830 -12.974 1.00 1.00 H new ATOM 0 HB3 GLU A 72 3.739 -9.850 -13.242 1.00 1.00 H new ATOM 0 HG2 GLU A 72 3.915 -10.295 -10.804 1.00 1.00 H new ATOM 0 HG3 GLU A 72 2.571 -9.215 -10.490 1.00 1.00 H new ATOM 1118 N ALA A 73 4.601 -5.994 -13.479 1.00 1.00 N ATOM 1119 CA ALA A 73 4.953 -5.217 -14.664 1.00 1.00 C ATOM 1120 C ALA A 73 5.426 -3.819 -14.282 1.00 1.00 C ATOM 1121 O ALA A 73 5.820 -3.572 -13.142 1.00 1.00 O ATOM 1122 CB ALA A 73 3.743 -5.112 -15.591 1.00 1.00 C ATOM 0 H ALA A 73 4.390 -5.438 -12.651 1.00 1.00 H new ATOM 0 HA ALA A 73 5.767 -5.728 -15.177 1.00 1.00 H new ATOM 0 HB1 ALA A 73 4.010 -4.531 -16.474 1.00 1.00 H new ATOM 0 HB2 ALA A 73 3.430 -6.111 -15.895 1.00 1.00 H new ATOM 0 HB3 ALA A 73 2.925 -4.619 -15.067 1.00 1.00 H new ATOM 1128 N GLU A 74 5.388 -2.908 -15.257 1.00 1.00 N ATOM 1129 CA GLU A 74 5.814 -1.523 -15.042 1.00 1.00 C ATOM 1130 C GLU A 74 4.744 -0.554 -15.538 1.00 1.00 C ATOM 1131 O GLU A 74 4.831 0.651 -15.307 1.00 1.00 O ATOM 1132 CB GLU A 74 7.123 -1.255 -15.787 1.00 1.00 C ATOM 1133 CG GLU A 74 8.255 -2.052 -15.133 1.00 1.00 C ATOM 1134 CD GLU A 74 9.552 -1.853 -15.912 1.00 1.00 C ATOM 1135 OE1 GLU A 74 9.527 -1.122 -16.888 1.00 1.00 O ATOM 1136 OE2 GLU A 74 10.550 -2.435 -15.519 1.00 1.00 O ATOM 0 H GLU A 74 5.066 -3.105 -16.205 1.00 1.00 H new ATOM 0 HA GLU A 74 5.966 -1.372 -13.973 1.00 1.00 H new ATOM 0 HB2 GLU A 74 7.022 -1.539 -16.835 1.00 1.00 H new ATOM 0 HB3 GLU A 74 7.354 -0.190 -15.766 1.00 1.00 H new ATOM 0 HG2 GLU A 74 8.388 -1.729 -14.100 1.00 1.00 H new ATOM 0 HG3 GLU A 74 7.997 -3.111 -15.105 1.00 1.00 H new ATOM 1143 N GLU A 75 3.730 -1.090 -16.219 1.00 1.00 N ATOM 1144 CA GLU A 75 2.643 -0.263 -16.740 1.00 1.00 C ATOM 1145 C GLU A 75 1.337 -1.052 -16.741 1.00 1.00 C ATOM 1146 O GLU A 75 0.943 -1.619 -17.758 1.00 1.00 O ATOM 1147 CB GLU A 75 2.965 0.199 -18.166 1.00 1.00 C ATOM 1148 CG GLU A 75 1.931 1.237 -18.615 1.00 1.00 C ATOM 1149 CD GLU A 75 2.150 2.549 -17.866 1.00 1.00 C ATOM 1150 OE1 GLU A 75 3.144 2.650 -17.168 1.00 1.00 O ATOM 1151 OE2 GLU A 75 1.320 3.432 -18.003 1.00 1.00 O ATOM 0 H GLU A 75 3.640 -2.086 -16.421 1.00 1.00 H new ATOM 0 HA GLU A 75 2.534 0.611 -16.098 1.00 1.00 H new ATOM 0 HB2 GLU A 75 3.966 0.628 -18.203 1.00 1.00 H new ATOM 0 HB3 GLU A 75 2.959 -0.653 -18.846 1.00 1.00 H new ATOM 0 HG2 GLU A 75 2.013 1.404 -19.689 1.00 1.00 H new ATOM 0 HG3 GLU A 75 0.924 0.865 -18.427 1.00 1.00 H new ATOM 1158 N THR A 76 0.672 -1.076 -15.593 1.00 1.00 N ATOM 1159 CA THR A 76 -0.592 -1.791 -15.457 1.00 1.00 C ATOM 1160 C THR A 76 -1.391 -1.232 -14.282 1.00 1.00 C ATOM 1161 O THR A 76 -1.937 -1.983 -13.478 1.00 1.00 O ATOM 1162 CB THR A 76 -0.329 -3.282 -15.238 1.00 1.00 C ATOM 1163 OG1 THR A 76 -1.566 -3.954 -15.052 1.00 1.00 O ATOM 1164 CG2 THR A 76 0.549 -3.477 -14.002 1.00 1.00 C ATOM 0 H THR A 76 0.986 -0.609 -14.742 1.00 1.00 H new ATOM 0 HA THR A 76 -1.168 -1.659 -16.373 1.00 1.00 H new ATOM 0 HB THR A 76 0.183 -3.691 -16.109 1.00 1.00 H new ATOM 0 HG1 THR A 76 -2.025 -3.584 -14.269 1.00 1.00 H new ATOM 0 HG21 THR A 76 0.733 -4.541 -13.851 1.00 1.00 H new ATOM 0 HG22 THR A 76 1.498 -2.961 -14.145 1.00 1.00 H new ATOM 0 HG23 THR A 76 0.042 -3.069 -13.128 1.00 1.00 H new ATOM 1172 N LEU A 77 -1.440 0.090 -14.180 1.00 1.00 N ATOM 1173 CA LEU A 77 -2.159 0.734 -13.086 1.00 1.00 C ATOM 1174 C LEU A 77 -3.653 0.420 -13.147 1.00 1.00 C ATOM 1175 O LEU A 77 -4.278 0.137 -12.126 1.00 1.00 O ATOM 1176 CB LEU A 77 -1.960 2.250 -13.162 1.00 1.00 C ATOM 1177 CG LEU A 77 -0.465 2.576 -13.251 1.00 1.00 C ATOM 1178 CD1 LEU A 77 -0.279 4.094 -13.341 1.00 1.00 C ATOM 1179 CD2 LEU A 77 0.265 2.039 -12.012 1.00 1.00 C ATOM 0 H LEU A 77 -0.995 0.733 -14.835 1.00 1.00 H new ATOM 0 HA LEU A 77 -1.762 0.350 -12.147 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -2.481 2.651 -14.032 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -2.393 2.727 -12.283 1.00 1.00 H new ATOM 0 HG LEU A 77 -0.048 2.104 -14.140 1.00 1.00 H new ATOM 0 HD11 LEU A 77 0.784 4.327 -13.404 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -0.787 4.471 -14.229 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -0.702 4.566 -12.454 1.00 1.00 H new ATOM 0 HD21 LEU A 77 1.327 2.275 -12.084 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -0.150 2.502 -11.116 1.00 1.00 H new ATOM 0 HD23 LEU A 77 0.137 0.958 -11.954 1.00 1.00 H new ATOM 1191 N LEU A 78 -4.219 0.473 -14.347 1.00 1.00 N ATOM 1192 CA LEU A 78 -5.635 0.198 -14.526 1.00 1.00 C ATOM 1193 C LEU A 78 -5.935 -1.280 -14.311 1.00 1.00 C ATOM 1194 O LEU A 78 -6.979 -1.636 -13.766 1.00 1.00 O ATOM 1195 CB LEU A 78 -6.082 0.629 -15.924 1.00 1.00 C ATOM 1196 CG LEU A 78 -5.996 2.161 -16.053 1.00 1.00 C ATOM 1197 CD1 LEU A 78 -6.226 2.554 -17.516 1.00 1.00 C ATOM 1198 CD2 LEU A 78 -7.056 2.842 -15.161 1.00 1.00 C ATOM 0 H LEU A 78 -3.719 0.703 -15.206 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.190 0.770 -13.782 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.453 0.156 -16.678 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -7.104 0.297 -16.107 1.00 1.00 H new ATOM 0 HG LEU A 78 -5.009 2.490 -15.729 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.167 3.638 -17.615 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.463 2.090 -18.142 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -7.212 2.214 -17.833 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -6.979 3.924 -15.266 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -8.051 2.518 -15.466 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -6.888 2.566 -14.120 1.00 1.00 H new ATOM 1210 N ILE A 79 -5.024 -2.146 -14.759 1.00 1.00 N ATOM 1211 CA ILE A 79 -5.219 -3.591 -14.622 1.00 1.00 C ATOM 1212 C ILE A 79 -4.437 -4.141 -13.434 1.00 1.00 C ATOM 1213 O ILE A 79 -3.233 -3.924 -13.311 1.00 1.00 O ATOM 1214 CB ILE A 79 -4.762 -4.309 -15.890 1.00 1.00 C ATOM 1215 CG1 ILE A 79 -5.553 -3.785 -17.092 1.00 1.00 C ATOM 1216 CG2 ILE A 79 -5.005 -5.813 -15.739 1.00 1.00 C ATOM 1217 CD1 ILE A 79 -4.931 -4.308 -18.390 1.00 1.00 C ATOM 0 H ILE A 79 -4.153 -1.876 -15.215 1.00 1.00 H new ATOM 0 HA ILE A 79 -6.282 -3.766 -14.459 1.00 1.00 H new ATOM 0 HB ILE A 79 -3.699 -4.124 -16.047 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -6.593 -4.104 -17.022 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -5.553 -2.695 -17.092 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -4.679 -6.327 -16.643 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -4.441 -6.189 -14.885 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -6.068 -5.996 -15.581 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -5.497 -3.932 -19.242 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -3.898 -3.967 -18.462 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -4.954 -5.398 -18.391 1.00 1.00 H new ATOM 1229 N ASP A 80 -5.136 -4.866 -12.571 1.00 1.00 N ATOM 1230 CA ASP A 80 -4.515 -5.464 -11.391 1.00 1.00 C ATOM 1231 C ASP A 80 -5.317 -6.678 -10.931 1.00 1.00 C ATOM 1232 O ASP A 80 -4.769 -7.619 -10.356 1.00 1.00 O ATOM 1233 CB ASP A 80 -4.449 -4.443 -10.256 1.00 1.00 C ATOM 1234 CG ASP A 80 -3.541 -3.282 -10.648 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -2.448 -3.544 -11.117 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -3.953 -2.147 -10.469 1.00 1.00 O ATOM 0 H ASP A 80 -6.134 -5.056 -12.664 1.00 1.00 H new ATOM 0 HA ASP A 80 -3.505 -5.778 -11.655 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -5.449 -4.073 -10.031 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -4.074 -4.919 -9.350 1.00 1.00 H new ATOM 1241 N ILE A 81 -6.619 -6.643 -11.190 1.00 1.00 N ATOM 1242 CA ILE A 81 -7.504 -7.736 -10.806 1.00 1.00 C ATOM 1243 C ILE A 81 -7.127 -9.017 -11.549 1.00 1.00 C ATOM 1244 O ILE A 81 -7.113 -10.103 -10.969 1.00 1.00 O ATOM 1245 CB ILE A 81 -8.957 -7.358 -11.112 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -9.389 -6.226 -10.175 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -9.869 -8.573 -10.901 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -10.720 -5.649 -10.655 1.00 1.00 C ATOM 0 H ILE A 81 -7.085 -5.870 -11.664 1.00 1.00 H new ATOM 0 HA ILE A 81 -7.397 -7.914 -9.736 1.00 1.00 H new ATOM 0 HB ILE A 81 -9.035 -7.031 -12.149 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -9.489 -6.601 -9.156 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -8.628 -5.446 -10.155 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -10.900 -8.296 -11.120 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.560 -9.380 -11.566 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -9.796 -8.908 -9.866 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -11.029 -4.843 -9.989 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -10.604 -5.259 -11.666 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -11.478 -6.432 -10.653 1.00 1.00 H new ATOM 1260 N ALA A 82 -6.837 -8.880 -12.836 1.00 1.00 N ATOM 1261 CA ALA A 82 -6.475 -10.030 -13.658 1.00 1.00 C ATOM 1262 C ALA A 82 -5.315 -10.803 -13.038 1.00 1.00 C ATOM 1263 O ALA A 82 -5.223 -12.022 -13.185 1.00 1.00 O ATOM 1264 CB ALA A 82 -6.081 -9.560 -15.058 1.00 1.00 C ATOM 0 H ALA A 82 -6.845 -7.989 -13.333 1.00 1.00 H new ATOM 0 HA ALA A 82 -7.339 -10.691 -13.718 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.811 -10.422 -15.669 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -6.921 -9.039 -15.517 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -5.229 -8.884 -14.988 1.00 1.00 H new ATOM 1270 N SER A 83 -4.429 -10.090 -12.344 1.00 1.00 N ATOM 1271 CA SER A 83 -3.276 -10.720 -11.700 1.00 1.00 C ATOM 1272 C SER A 83 -3.493 -10.794 -10.197 1.00 1.00 C ATOM 1273 O SER A 83 -3.677 -9.773 -9.540 1.00 1.00 O ATOM 1274 CB SER A 83 -2.010 -9.913 -11.990 1.00 1.00 C ATOM 1275 OG SER A 83 -1.648 -10.082 -13.353 1.00 1.00 O ATOM 0 H SER A 83 -4.486 -9.080 -12.213 1.00 1.00 H new ATOM 0 HA SER A 83 -3.162 -11.728 -12.098 1.00 1.00 H new ATOM 0 HB2 SER A 83 -2.180 -8.858 -11.775 1.00 1.00 H new ATOM 0 HB3 SER A 83 -1.198 -10.243 -11.342 1.00 1.00 H new ATOM 0 HG SER A 83 -0.838 -9.565 -13.543 1.00 1.00 H new ATOM 1281 N ASN A 84 -3.474 -12.010 -9.664 1.00 1.00 N ATOM 1282 CA ASN A 84 -3.673 -12.224 -8.234 1.00 1.00 C ATOM 1283 C ASN A 84 -2.918 -13.467 -7.777 1.00 1.00 C ATOM 1284 O ASN A 84 -2.080 -13.994 -8.507 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.166 -12.383 -7.935 1.00 1.00 C ATOM 1286 CG ASN A 84 -5.882 -11.038 -8.052 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -5.249 -9.933 -7.757 1.00 1.00 O flip ATOM 1288 ND2 ASN A 84 -7.056 -10.993 -8.419 1.00 1.00 N flip ATOM 0 H ASN A 84 -3.323 -12.864 -10.200 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.289 -11.360 -7.692 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -5.608 -13.098 -8.629 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.301 -12.787 -6.932 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -7.552 -11.854 -8.650 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -7.533 -10.095 -8.493 1.00 1.00 H new ATOM 1295 N SER A 85 -3.206 -13.919 -6.563 1.00 1.00 N ATOM 1296 CA SER A 85 -2.530 -15.091 -6.019 1.00 1.00 C ATOM 1297 C SER A 85 -1.047 -14.784 -5.840 1.00 1.00 C ATOM 1298 O SER A 85 -0.240 -15.032 -6.735 1.00 1.00 O ATOM 1299 CB SER A 85 -2.713 -16.285 -6.960 1.00 1.00 C ATOM 1300 OG SER A 85 -4.033 -16.269 -7.488 1.00 1.00 O ATOM 0 H SER A 85 -3.896 -13.497 -5.941 1.00 1.00 H new ATOM 0 HA SER A 85 -2.963 -15.342 -5.051 1.00 1.00 H new ATOM 0 HB2 SER A 85 -1.985 -16.240 -7.770 1.00 1.00 H new ATOM 0 HB3 SER A 85 -2.535 -17.217 -6.423 1.00 1.00 H new ATOM 0 HG SER A 85 -4.153 -17.031 -8.092 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.701 -14.214 -4.689 1.00 1.00 N ATOM 1307 CA GLY A 86 0.684 -13.845 -4.426 1.00 1.00 C ATOM 1308 C GLY A 86 1.082 -12.714 -5.363 1.00 1.00 C ATOM 1309 O GLY A 86 1.850 -12.910 -6.304 1.00 1.00 O ATOM 0 H GLY A 86 -1.352 -14.000 -3.933 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.800 -13.532 -3.388 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.337 -14.705 -4.575 1.00 1.00 H new ATOM 1313 N CYS A 87 0.510 -11.536 -5.124 1.00 1.00 N ATOM 1314 CA CYS A 87 0.756 -10.371 -5.979 1.00 1.00 C ATOM 1315 C CYS A 87 1.884 -9.492 -5.435 1.00 1.00 C ATOM 1316 O CYS A 87 2.000 -9.283 -4.227 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.544 -9.527 -6.096 1.00 1.00 C ATOM 1318 SG CYS A 87 -1.938 -10.418 -5.350 1.00 1.00 S ATOM 0 H CYS A 87 -0.127 -11.360 -4.347 1.00 1.00 H new ATOM 0 HA CYS A 87 1.059 -10.738 -6.960 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.409 -8.566 -5.599 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -0.757 -9.316 -7.144 1.00 1.00 H new ATOM 1323 N LYS A 88 2.688 -8.947 -6.351 1.00 1.00 N ATOM 1324 CA LYS A 88 3.778 -8.049 -5.984 1.00 1.00 C ATOM 1325 C LYS A 88 3.669 -6.772 -6.807 1.00 1.00 C ATOM 1326 O LYS A 88 3.501 -6.821 -8.025 1.00 1.00 O ATOM 1327 CB LYS A 88 5.139 -8.723 -6.217 1.00 1.00 C ATOM 1328 CG LYS A 88 5.399 -8.903 -7.716 1.00 1.00 C ATOM 1329 CD LYS A 88 6.677 -9.714 -7.914 1.00 1.00 C ATOM 1330 CE LYS A 88 6.922 -9.931 -9.408 1.00 1.00 C ATOM 1331 NZ LYS A 88 7.112 -8.613 -10.078 1.00 1.00 N ATOM 0 H LYS A 88 2.602 -9.114 -7.353 1.00 1.00 H new ATOM 0 HA LYS A 88 3.702 -7.807 -4.924 1.00 1.00 H new ATOM 0 HB2 LYS A 88 5.931 -8.119 -5.774 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.161 -9.692 -5.719 1.00 1.00 H new ATOM 0 HG2 LYS A 88 4.556 -9.411 -8.184 1.00 1.00 H new ATOM 0 HG3 LYS A 88 5.493 -7.931 -8.199 1.00 1.00 H new ATOM 0 HD2 LYS A 88 7.524 -9.192 -7.469 1.00 1.00 H new ATOM 0 HD3 LYS A 88 6.592 -10.675 -7.406 1.00 1.00 H new ATOM 0 HE2 LYS A 88 7.803 -10.556 -9.556 1.00 1.00 H new ATOM 0 HE3 LYS A 88 6.078 -10.459 -9.853 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 7.428 -8.764 -11.057 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 6.212 -8.092 -10.081 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 7.829 -8.062 -9.564 1.00 1.00 H new ATOM 1345 N ILE A 89 3.751 -5.627 -6.131 1.00 1.00 N ATOM 1346 CA ILE A 89 3.652 -4.334 -6.806 1.00 1.00 C ATOM 1347 C ILE A 89 4.830 -3.450 -6.429 1.00 1.00 C ATOM 1348 O ILE A 89 5.511 -3.703 -5.434 1.00 1.00 O ATOM 1349 CB ILE A 89 2.337 -3.632 -6.433 1.00 1.00 C ATOM 1350 CG1 ILE A 89 2.291 -3.342 -4.923 1.00 1.00 C ATOM 1351 CG2 ILE A 89 1.153 -4.532 -6.808 1.00 1.00 C ATOM 1352 CD1 ILE A 89 1.112 -2.420 -4.611 1.00 1.00 C ATOM 0 H ILE A 89 3.885 -5.568 -5.122 1.00 1.00 H new ATOM 0 HA ILE A 89 3.667 -4.508 -7.882 1.00 1.00 H new ATOM 0 HB ILE A 89 2.278 -2.690 -6.978 1.00 1.00 H new ATOM 0 HG12 ILE A 89 2.193 -4.274 -4.367 1.00 1.00 H new ATOM 0 HG13 ILE A 89 3.223 -2.877 -4.604 1.00 1.00 H new ATOM 0 HG21 ILE A 89 0.220 -4.035 -6.544 1.00 1.00 H new ATOM 0 HG22 ILE A 89 1.169 -4.727 -7.880 1.00 1.00 H new ATOM 0 HG23 ILE A 89 1.227 -5.475 -6.267 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.082 -2.217 -3.541 1.00 1.00 H new ATOM 0 HD12 ILE A 89 1.229 -1.483 -5.155 1.00 1.00 H new ATOM 0 HD13 ILE A 89 0.183 -2.902 -4.914 1.00 1.00 H new ATOM 1364 N ARG A 90 5.063 -2.409 -7.219 1.00 1.00 N ATOM 1365 CA ARG A 90 6.160 -1.480 -6.953 1.00 1.00 C ATOM 1366 C ARG A 90 5.631 -0.053 -6.957 1.00 1.00 C ATOM 1367 O ARG A 90 4.775 0.298 -7.770 1.00 1.00 O ATOM 1368 CB ARG A 90 7.244 -1.637 -8.020 1.00 1.00 C ATOM 1369 CG ARG A 90 7.433 -3.122 -8.323 1.00 1.00 C ATOM 1370 CD ARG A 90 8.554 -3.287 -9.340 1.00 1.00 C ATOM 1371 NE ARG A 90 8.589 -4.663 -9.826 1.00 1.00 N ATOM 1372 CZ ARG A 90 9.429 -5.034 -10.787 1.00 1.00 C ATOM 1373 NH1 ARG A 90 10.283 -4.177 -11.280 1.00 1.00 N ATOM 1374 NH2 ARG A 90 9.400 -6.259 -11.236 1.00 1.00 N ATOM 0 H ARG A 90 4.511 -2.185 -8.047 1.00 1.00 H new ATOM 0 HA ARG A 90 6.591 -1.701 -5.976 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.961 -1.101 -8.926 1.00 1.00 H new ATOM 0 HB3 ARG A 90 8.181 -1.202 -7.672 1.00 1.00 H new ATOM 0 HG2 ARG A 90 7.673 -3.664 -7.408 1.00 1.00 H new ATOM 0 HG3 ARG A 90 6.508 -3.547 -8.712 1.00 1.00 H new ATOM 0 HD2 ARG A 90 8.403 -2.602 -10.174 1.00 1.00 H new ATOM 0 HD3 ARG A 90 9.510 -3.029 -8.885 1.00 1.00 H new ATOM 0 HE ARG A 90 7.957 -5.353 -9.420 1.00 1.00 H new ATOM 0 HH11 ARG A 90 10.306 -3.220 -10.927 1.00 1.00 H new ATOM 0 HH12 ARG A 90 10.926 -4.465 -12.017 1.00 1.00 H new ATOM 0 HH21 ARG A 90 8.734 -6.928 -10.850 1.00 1.00 H new ATOM 0 HH22 ARG A 90 10.043 -6.547 -11.973 1.00 1.00 H new ATOM 1388 N VAL A 91 6.133 0.765 -6.036 1.00 1.00 N ATOM 1389 CA VAL A 91 5.695 2.158 -5.923 1.00 1.00 C ATOM 1390 C VAL A 91 6.877 3.106 -6.075 1.00 1.00 C ATOM 1391 O VAL A 91 7.935 2.899 -5.483 1.00 1.00 O ATOM 1392 CB VAL A 91 5.043 2.378 -4.558 1.00 1.00 C ATOM 1393 CG1 VAL A 91 4.566 3.829 -4.432 1.00 1.00 C ATOM 1394 CG2 VAL A 91 3.851 1.429 -4.410 1.00 1.00 C ATOM 0 H VAL A 91 6.843 0.490 -5.357 1.00 1.00 H new ATOM 0 HA VAL A 91 4.976 2.363 -6.716 1.00 1.00 H new ATOM 0 HB VAL A 91 5.772 2.177 -3.773 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.103 3.976 -3.456 1.00 1.00 H new ATOM 0 HG12 VAL A 91 5.417 4.502 -4.535 1.00 1.00 H new ATOM 0 HG13 VAL A 91 3.838 4.042 -5.215 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.383 1.582 -3.438 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.126 1.630 -5.198 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.195 0.398 -4.489 1.00 1.00 H new ATOM 1404 N GLN A 92 6.684 4.155 -6.873 1.00 1.00 N ATOM 1405 CA GLN A 92 7.730 5.151 -7.106 1.00 1.00 C ATOM 1406 C GLN A 92 7.201 6.552 -6.819 1.00 1.00 C ATOM 1407 O GLN A 92 6.058 6.874 -7.148 1.00 1.00 O ATOM 1408 CB GLN A 92 8.209 5.066 -8.556 1.00 1.00 C ATOM 1409 CG GLN A 92 7.047 5.366 -9.502 1.00 1.00 C ATOM 1410 CD GLN A 92 7.485 5.152 -10.946 1.00 1.00 C ATOM 1411 OE1 GLN A 92 8.286 4.260 -11.226 1.00 1.00 O ATOM 1412 NE2 GLN A 92 7.007 5.922 -11.885 1.00 1.00 N ATOM 0 H GLN A 92 5.812 4.338 -7.370 1.00 1.00 H new ATOM 0 HA GLN A 92 8.565 4.947 -6.436 1.00 1.00 H new ATOM 0 HB2 GLN A 92 9.019 5.776 -8.723 1.00 1.00 H new ATOM 0 HB3 GLN A 92 8.609 4.072 -8.759 1.00 1.00 H new ATOM 0 HG2 GLN A 92 6.201 4.719 -9.270 1.00 1.00 H new ATOM 0 HG3 GLN A 92 6.710 6.393 -9.364 1.00 1.00 H new ATOM 0 HE21 GLN A 92 6.343 6.660 -11.651 1.00 1.00 H new ATOM 0 HE22 GLN A 92 7.297 5.785 -12.853 1.00 1.00 H new ATOM 1421 N GLY A 93 8.035 7.379 -6.199 1.00 1.00 N ATOM 1422 CA GLY A 93 7.640 8.743 -5.868 1.00 1.00 C ATOM 1423 C GLY A 93 8.842 9.556 -5.400 1.00 1.00 C ATOM 1424 O GLY A 93 9.974 9.079 -5.427 1.00 1.00 O ATOM 0 H GLY A 93 8.983 7.131 -5.917 1.00 1.00 H new ATOM 0 HA2 GLY A 93 7.191 9.218 -6.740 1.00 1.00 H new ATOM 0 HA3 GLY A 93 6.880 8.727 -5.087 1.00 1.00 H new ATOM 1428 N ASP A 94 8.592 10.787 -4.979 1.00 1.00 N ATOM 1429 CA ASP A 94 9.664 11.658 -4.509 1.00 1.00 C ATOM 1430 C ASP A 94 10.149 11.238 -3.121 1.00 1.00 C ATOM 1431 O ASP A 94 11.342 11.310 -2.823 1.00 1.00 O ATOM 1432 CB ASP A 94 9.173 13.105 -4.467 1.00 1.00 C ATOM 1433 CG ASP A 94 7.854 13.183 -3.705 1.00 1.00 C ATOM 1434 OD1 ASP A 94 7.050 12.277 -3.856 1.00 1.00 O ATOM 1435 OD2 ASP A 94 7.666 14.148 -2.981 1.00 1.00 O ATOM 0 H ASP A 94 7.662 11.205 -4.952 1.00 1.00 H new ATOM 0 HA ASP A 94 10.500 11.573 -5.203 1.00 1.00 H new ATOM 0 HB2 ASP A 94 9.919 13.738 -3.986 1.00 1.00 H new ATOM 0 HB3 ASP A 94 9.040 13.483 -5.481 1.00 1.00 H new ATOM 1440 N TRP A 95 9.216 10.816 -2.277 1.00 1.00 N ATOM 1441 CA TRP A 95 9.547 10.403 -0.911 1.00 1.00 C ATOM 1442 C TRP A 95 10.420 9.140 -0.904 1.00 1.00 C ATOM 1443 O TRP A 95 11.284 8.986 -0.041 1.00 1.00 O ATOM 1444 CB TRP A 95 8.247 10.175 -0.090 1.00 1.00 C ATOM 1445 CG TRP A 95 7.076 10.072 -1.019 1.00 1.00 C ATOM 1446 CD1 TRP A 95 6.594 8.920 -1.539 1.00 1.00 C ATOM 1447 CD2 TRP A 95 6.242 11.142 -1.551 1.00 1.00 C ATOM 1448 NE1 TRP A 95 5.524 9.216 -2.363 1.00 1.00 N ATOM 1449 CE2 TRP A 95 5.265 10.572 -2.402 1.00 1.00 C ATOM 1450 CE3 TRP A 95 6.240 12.539 -1.383 1.00 1.00 C ATOM 1451 CZ2 TRP A 95 4.320 11.357 -3.061 1.00 1.00 C ATOM 1452 CZ3 TRP A 95 5.287 13.333 -2.046 1.00 1.00 C ATOM 1453 CH2 TRP A 95 4.332 12.744 -2.883 1.00 1.00 C ATOM 0 H TRP A 95 8.225 10.749 -2.510 1.00 1.00 H new ATOM 0 HA TRP A 95 10.122 11.204 -0.446 1.00 1.00 H new ATOM 0 HB2 TRP A 95 8.335 9.265 0.503 1.00 1.00 H new ATOM 0 HB3 TRP A 95 8.098 10.998 0.609 1.00 1.00 H new ATOM 0 HD1 TRP A 95 6.981 7.931 -1.343 1.00 1.00 H new ATOM 0 HE1 TRP A 95 4.990 8.517 -2.880 1.00 1.00 H new ATOM 0 HE3 TRP A 95 6.974 13.004 -0.742 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 3.584 10.897 -3.704 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 5.292 14.404 -1.908 1.00 1.00 H new ATOM 0 HH2 TRP A 95 3.605 13.360 -3.391 1.00 1.00 H new ATOM 1464 N ILE A 96 10.185 8.235 -1.858 1.00 1.00 N ATOM 1465 CA ILE A 96 10.955 6.983 -1.933 1.00 1.00 C ATOM 1466 C ILE A 96 11.534 6.792 -3.328 1.00 1.00 C ATOM 1467 O ILE A 96 11.020 7.339 -4.300 1.00 1.00 O ATOM 1468 CB ILE A 96 10.046 5.799 -1.579 1.00 1.00 C ATOM 1469 CG1 ILE A 96 8.922 5.671 -2.620 1.00 1.00 C ATOM 1470 CG2 ILE A 96 9.435 6.039 -0.196 1.00 1.00 C ATOM 1471 CD1 ILE A 96 8.004 4.504 -2.244 1.00 1.00 C ATOM 0 H ILE A 96 9.476 8.340 -2.584 1.00 1.00 H new ATOM 0 HA ILE A 96 11.779 7.035 -1.222 1.00 1.00 H new ATOM 0 HB ILE A 96 10.631 4.879 -1.574 1.00 1.00 H new ATOM 0 HG12 ILE A 96 8.349 6.597 -2.667 1.00 1.00 H new ATOM 0 HG13 ILE A 96 9.347 5.508 -3.611 1.00 1.00 H new ATOM 0 HG21 ILE A 96 8.787 5.203 0.065 1.00 1.00 H new ATOM 0 HG22 ILE A 96 10.231 6.126 0.543 1.00 1.00 H new ATOM 0 HG23 ILE A 96 8.852 6.960 -0.211 1.00 1.00 H new ATOM 0 HD11 ILE A 96 7.208 4.415 -2.983 1.00 1.00 H new ATOM 0 HD12 ILE A 96 8.582 3.580 -2.220 1.00 1.00 H new ATOM 0 HD13 ILE A 96 7.568 4.686 -1.261 1.00 1.00 H new ATOM 1483 N ARG A 97 12.606 6.009 -3.426 1.00 1.00 N ATOM 1484 CA ARG A 97 13.233 5.760 -4.724 1.00 1.00 C ATOM 1485 C ARG A 97 12.536 4.610 -5.452 1.00 1.00 C ATOM 1486 O ARG A 97 12.108 4.767 -6.596 1.00 1.00 O ATOM 1487 CB ARG A 97 14.729 5.449 -4.551 1.00 1.00 C ATOM 1488 CG ARG A 97 14.959 4.570 -3.316 1.00 1.00 C ATOM 1489 CD ARG A 97 16.444 4.227 -3.222 1.00 1.00 C ATOM 1490 NE ARG A 97 16.843 3.443 -4.386 1.00 1.00 N ATOM 1491 CZ ARG A 97 16.673 2.125 -4.421 1.00 1.00 C ATOM 1492 NH1 ARG A 97 16.182 1.504 -3.382 1.00 1.00 N ATOM 1493 NH2 ARG A 97 16.998 1.450 -5.490 1.00 1.00 N ATOM 0 H ARG A 97 13.053 5.542 -2.637 1.00 1.00 H new ATOM 0 HA ARG A 97 13.131 6.662 -5.327 1.00 1.00 H new ATOM 0 HB2 ARG A 97 15.106 4.942 -5.440 1.00 1.00 H new ATOM 0 HB3 ARG A 97 15.290 6.378 -4.452 1.00 1.00 H new ATOM 0 HG2 ARG A 97 14.635 5.093 -2.416 1.00 1.00 H new ATOM 0 HG3 ARG A 97 14.365 3.659 -3.386 1.00 1.00 H new ATOM 0 HD2 ARG A 97 17.035 5.141 -3.167 1.00 1.00 H new ATOM 0 HD3 ARG A 97 16.640 3.665 -2.309 1.00 1.00 H new ATOM 0 HE ARG A 97 17.260 3.915 -5.188 1.00 1.00 H new ATOM 0 HH11 ARG A 97 15.930 2.030 -2.546 1.00 1.00 H new ATOM 0 HH12 ARG A 97 16.051 0.493 -3.407 1.00 1.00 H new ATOM 0 HH21 ARG A 97 17.383 1.934 -6.301 1.00 1.00 H new ATOM 0 HH22 ARG A 97 16.867 0.439 -5.514 1.00 1.00 H new ATOM 1507 N GLU A 98 12.412 3.466 -4.783 1.00 1.00 N ATOM 1508 CA GLU A 98 11.756 2.308 -5.381 1.00 1.00 C ATOM 1509 C GLU A 98 11.639 1.179 -4.365 1.00 1.00 C ATOM 1510 O GLU A 98 12.550 0.365 -4.215 1.00 1.00 O ATOM 1511 CB GLU A 98 12.551 1.812 -6.596 1.00 1.00 C ATOM 1512 CG GLU A 98 11.763 0.721 -7.332 1.00 1.00 C ATOM 1513 CD GLU A 98 10.537 1.324 -8.013 1.00 1.00 C ATOM 1514 OE1 GLU A 98 10.427 2.538 -8.025 1.00 1.00 O ATOM 1515 OE2 GLU A 98 9.729 0.561 -8.516 1.00 1.00 O ATOM 0 H GLU A 98 12.755 3.317 -3.834 1.00 1.00 H new ATOM 0 HA GLU A 98 10.759 2.611 -5.700 1.00 1.00 H new ATOM 0 HB2 GLU A 98 12.754 2.643 -7.271 1.00 1.00 H new ATOM 0 HB3 GLU A 98 13.516 1.420 -6.274 1.00 1.00 H new ATOM 0 HG2 GLU A 98 12.400 0.240 -8.074 1.00 1.00 H new ATOM 0 HG3 GLU A 98 11.454 -0.052 -6.628 1.00 1.00 H new ATOM 1522 N ARG A 99 10.502 1.126 -3.681 1.00 1.00 N ATOM 1523 CA ARG A 99 10.249 0.080 -2.688 1.00 1.00 C ATOM 1524 C ARG A 99 9.276 -0.947 -3.267 1.00 1.00 C ATOM 1525 O ARG A 99 8.277 -0.583 -3.885 1.00 1.00 O ATOM 1526 CB ARG A 99 9.662 0.694 -1.412 1.00 1.00 C ATOM 1527 CG ARG A 99 10.691 1.620 -0.755 1.00 1.00 C ATOM 1528 CD ARG A 99 10.189 2.030 0.631 1.00 1.00 C ATOM 1529 NE ARG A 99 8.953 2.796 0.517 1.00 1.00 N ATOM 1530 CZ ARG A 99 8.226 3.086 1.590 1.00 1.00 C ATOM 1531 NH1 ARG A 99 8.612 2.685 2.770 1.00 1.00 N ATOM 1532 NH2 ARG A 99 7.123 3.770 1.463 1.00 1.00 N ATOM 0 H ARG A 99 9.739 1.793 -3.793 1.00 1.00 H new ATOM 0 HA ARG A 99 11.189 -0.412 -2.439 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.757 1.253 -1.650 1.00 1.00 H new ATOM 0 HB3 ARG A 99 9.375 -0.095 -0.717 1.00 1.00 H new ATOM 0 HG2 ARG A 99 11.652 1.113 -0.671 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.849 2.504 -1.373 1.00 1.00 H new ATOM 0 HD2 ARG A 99 10.020 1.143 1.241 1.00 1.00 H new ATOM 0 HD3 ARG A 99 10.948 2.625 1.138 1.00 1.00 H new ATOM 0 HE ARG A 99 8.642 3.114 -0.401 1.00 1.00 H new ATOM 0 HH11 ARG A 99 9.473 2.148 2.870 1.00 1.00 H new ATOM 0 HH12 ARG A 99 8.052 2.909 3.593 1.00 1.00 H new ATOM 0 HH21 ARG A 99 6.820 4.082 0.540 1.00 1.00 H new ATOM 0 HH22 ARG A 99 6.564 3.993 2.286 1.00 1.00 H new ATOM 1546 N ARG A 100 9.578 -2.235 -3.077 1.00 1.00 N ATOM 1547 CA ARG A 100 8.720 -3.306 -3.602 1.00 1.00 C ATOM 1548 C ARG A 100 7.846 -3.889 -2.499 1.00 1.00 C ATOM 1549 O ARG A 100 8.225 -3.895 -1.328 1.00 1.00 O ATOM 1550 CB ARG A 100 9.583 -4.412 -4.208 1.00 1.00 C ATOM 1551 CG ARG A 100 10.360 -3.854 -5.405 1.00 1.00 C ATOM 1552 CD ARG A 100 11.343 -4.904 -5.932 1.00 1.00 C ATOM 1553 NE ARG A 100 10.658 -5.904 -6.762 1.00 1.00 N ATOM 1554 CZ ARG A 100 10.719 -5.866 -8.096 1.00 1.00 C ATOM 1555 NH1 ARG A 100 11.208 -4.815 -8.700 1.00 1.00 N ATOM 1556 NH2 ARG A 100 10.254 -6.860 -8.799 1.00 1.00 N ATOM 0 H ARG A 100 10.401 -2.561 -2.569 1.00 1.00 H new ATOM 0 HA ARG A 100 8.074 -2.882 -4.371 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.275 -4.799 -3.460 1.00 1.00 H new ATOM 0 HB3 ARG A 100 8.956 -5.246 -4.524 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.667 -3.565 -6.195 1.00 1.00 H new ATOM 0 HG3 ARG A 100 10.900 -2.955 -5.110 1.00 1.00 H new ATOM 0 HD2 ARG A 100 12.123 -4.415 -6.516 1.00 1.00 H new ATOM 0 HD3 ARG A 100 11.835 -5.398 -5.094 1.00 1.00 H new ATOM 0 HE ARG A 100 10.123 -6.645 -6.309 1.00 1.00 H new ATOM 0 HH11 ARG A 100 11.544 -4.022 -8.153 1.00 1.00 H new ATOM 0 HH12 ARG A 100 11.254 -4.787 -9.719 1.00 1.00 H new ATOM 0 HH21 ARG A 100 9.843 -7.668 -8.331 1.00 1.00 H new ATOM 0 HH22 ARG A 100 10.301 -6.830 -9.817 1.00 1.00 H new ATOM 1570 N PHE A 101 6.666 -4.372 -2.888 1.00 1.00 N ATOM 1571 CA PHE A 101 5.718 -4.958 -1.934 1.00 1.00 C ATOM 1572 C PHE A 101 5.251 -6.329 -2.416 1.00 1.00 C ATOM 1573 O PHE A 101 5.277 -6.617 -3.612 1.00 1.00 O ATOM 1574 CB PHE A 101 4.501 -4.045 -1.776 1.00 1.00 C ATOM 1575 CG PHE A 101 4.934 -2.692 -1.256 1.00 1.00 C ATOM 1576 CD1 PHE A 101 5.431 -2.570 0.046 1.00 1.00 C ATOM 1577 CD2 PHE A 101 4.827 -1.558 -2.072 1.00 1.00 C ATOM 1578 CE1 PHE A 101 5.824 -1.317 0.530 1.00 1.00 C ATOM 1579 CE2 PHE A 101 5.218 -0.306 -1.587 1.00 1.00 C ATOM 1580 CZ PHE A 101 5.716 -0.185 -0.287 1.00 1.00 C ATOM 0 H PHE A 101 6.342 -4.370 -3.855 1.00 1.00 H new ATOM 0 HA PHE A 101 6.224 -5.067 -0.975 1.00 1.00 H new ATOM 0 HB2 PHE A 101 3.995 -3.931 -2.735 1.00 1.00 H new ATOM 0 HB3 PHE A 101 3.785 -4.496 -1.089 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.511 -3.442 0.677 1.00 1.00 H new ATOM 0 HD2 PHE A 101 4.442 -1.651 -3.077 1.00 1.00 H new ATOM 0 HE1 PHE A 101 6.211 -1.223 1.534 1.00 1.00 H new ATOM 0 HE2 PHE A 101 5.135 0.567 -2.217 1.00 1.00 H new ATOM 0 HZ PHE A 101 6.018 0.782 0.088 1.00 1.00 H new ATOM 1590 N GLU A 102 4.832 -7.175 -1.474 1.00 1.00 N ATOM 1591 CA GLU A 102 4.365 -8.523 -1.813 1.00 1.00 C ATOM 1592 C GLU A 102 3.294 -9.007 -0.839 1.00 1.00 C ATOM 1593 O GLU A 102 3.528 -9.101 0.361 1.00 1.00 O ATOM 1594 CB GLU A 102 5.548 -9.492 -1.796 1.00 1.00 C ATOM 1595 CG GLU A 102 5.088 -10.883 -2.244 1.00 1.00 C ATOM 1596 CD GLU A 102 6.271 -11.845 -2.267 1.00 1.00 C ATOM 1597 OE1 GLU A 102 7.394 -11.373 -2.214 1.00 1.00 O ATOM 1598 OE2 GLU A 102 6.037 -13.040 -2.334 1.00 1.00 O ATOM 0 H GLU A 102 4.806 -6.955 -0.478 1.00 1.00 H new ATOM 0 HA GLU A 102 3.923 -8.487 -2.809 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.336 -9.130 -2.456 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.972 -9.545 -0.793 1.00 1.00 H new ATOM 0 HG2 GLU A 102 4.319 -11.256 -1.567 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.638 -10.824 -3.235 1.00 1.00 H new ATOM 1605 N ILE A 103 2.115 -9.338 -1.373 1.00 1.00 N ATOM 1606 CA ILE A 103 1.010 -9.839 -0.555 1.00 1.00 C ATOM 1607 C ILE A 103 0.812 -11.338 -0.824 1.00 1.00 C ATOM 1608 O ILE A 103 0.194 -11.703 -1.823 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.285 -9.090 -0.902 1.00 1.00 C ATOM 1610 CG1 ILE A 103 -0.089 -7.565 -0.689 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.410 -9.601 0.006 1.00 1.00 C ATOM 1612 CD1 ILE A 103 0.364 -6.896 -1.993 1.00 1.00 C ATOM 0 H ILE A 103 1.902 -9.268 -2.368 1.00 1.00 H new ATOM 0 HA ILE A 103 1.248 -9.679 0.497 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.543 -9.267 -1.946 1.00 1.00 H new ATOM 0 HG12 ILE A 103 -1.022 -7.116 -0.348 1.00 1.00 H new ATOM 0 HG13 ILE A 103 0.652 -7.393 0.092 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.336 -9.076 -0.231 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.548 -10.670 -0.153 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -1.147 -9.420 1.048 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.497 -5.827 -1.826 1.00 1.00 H new ATOM 0 HD12 ILE A 103 1.309 -7.333 -2.317 1.00 1.00 H new ATOM 0 HD13 ILE A 103 -0.391 -7.052 -2.763 1.00 1.00 H new ATOM 1624 N PRO A 104 1.333 -12.221 0.010 1.00 1.00 N ATOM 1625 CA PRO A 104 1.197 -13.690 -0.218 1.00 1.00 C ATOM 1626 C PRO A 104 -0.219 -14.198 0.054 1.00 1.00 C ATOM 1627 O PRO A 104 -0.553 -15.335 -0.278 1.00 1.00 O ATOM 1628 CB PRO A 104 2.223 -14.310 0.743 1.00 1.00 C ATOM 1629 CG PRO A 104 2.374 -13.318 1.852 1.00 1.00 C ATOM 1630 CD PRO A 104 2.092 -11.934 1.248 1.00 1.00 C ATOM 0 HA PRO A 104 1.379 -13.960 -1.258 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.877 -15.272 1.120 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.174 -14.488 0.242 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.679 -13.535 2.663 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.378 -13.359 2.274 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.515 -11.312 1.932 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.017 -11.399 1.032 1.00 1.00 H new ATOM 1638 N ASP A 105 -1.050 -13.348 0.650 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.432 -13.723 0.949 1.00 1.00 C ATOM 1640 C ASP A 105 -3.345 -13.262 -0.180 1.00 1.00 C ATOM 1641 O ASP A 105 -3.600 -12.072 -0.341 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.864 -13.088 2.270 1.00 1.00 C ATOM 1643 CG ASP A 105 -2.198 -13.809 3.438 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.676 -14.892 3.225 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -2.219 -13.267 4.531 1.00 1.00 O ATOM 0 H ASP A 105 -0.795 -12.402 0.934 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.502 -14.807 1.039 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.593 -12.032 2.281 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.948 -13.140 2.370 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.809 -14.221 -0.974 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.669 -13.925 -2.118 1.00 1.00 C ATOM 1652 C GLU A 106 -5.950 -13.207 -1.700 1.00 1.00 C ATOM 1653 O GLU A 106 -6.260 -12.137 -2.219 1.00 1.00 O ATOM 1654 CB GLU A 106 -5.032 -15.232 -2.830 1.00 1.00 C ATOM 1655 CG GLU A 106 -5.823 -14.928 -4.105 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.120 -16.225 -4.852 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -5.907 -17.279 -4.275 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -6.553 -16.146 -5.989 1.00 1.00 O ATOM 0 H GLU A 106 -3.604 -15.212 -0.847 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.118 -13.264 -2.787 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -4.126 -15.786 -3.077 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.622 -15.865 -2.168 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.755 -14.421 -3.854 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.255 -14.252 -4.744 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.698 -13.797 -0.775 1.00 1.00 N ATOM 1666 CA GLU A 107 -7.949 -13.187 -0.333 1.00 1.00 C ATOM 1667 C GLU A 107 -7.728 -11.723 0.034 1.00 1.00 C ATOM 1668 O GLU A 107 -8.509 -10.853 -0.352 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.539 -13.953 0.866 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.428 -14.364 1.844 1.00 1.00 C ATOM 1671 CD GLU A 107 -6.717 -15.619 1.345 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -7.392 -16.488 0.815 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -5.510 -15.695 1.498 1.00 1.00 O ATOM 0 H GLU A 107 -6.467 -14.681 -0.322 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.661 -13.238 -1.157 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.270 -13.329 1.379 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -9.067 -14.839 0.514 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.711 -13.551 1.952 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.853 -14.547 2.831 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.658 -11.455 0.768 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.338 -10.092 1.165 1.00 1.00 C ATOM 1682 C HIS A 108 -5.922 -9.262 -0.047 1.00 1.00 C ATOM 1683 O HIS A 108 -6.286 -8.094 -0.169 1.00 1.00 O ATOM 1684 CB HIS A 108 -5.200 -10.105 2.186 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.695 -10.597 3.522 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -4.843 -10.748 4.605 1.00 1.00 N ATOM 1687 CD2 HIS A 108 -6.940 -10.972 3.973 1.00 1.00 C ATOM 1688 CE1 HIS A 108 -5.575 -11.192 5.642 1.00 1.00 C ATOM 1689 NE2 HIS A 108 -6.859 -11.346 5.311 1.00 1.00 N ATOM 0 H HIS A 108 -5.999 -12.160 1.099 1.00 1.00 H new ATOM 0 HA HIS A 108 -7.227 -9.644 1.610 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.393 -10.747 1.832 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.787 -9.102 2.292 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -7.842 -10.975 3.379 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -5.173 -11.399 6.623 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -7.618 -11.669 5.911 1.00 1.00 H new ATOM 1697 N CYS A 109 -5.149 -9.874 -0.939 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.672 -9.181 -2.128 1.00 1.00 C ATOM 1699 C CYS A 109 -5.836 -8.617 -2.937 1.00 1.00 C ATOM 1700 O CYS A 109 -5.734 -7.537 -3.516 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.831 -10.146 -2.990 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.490 -9.238 -3.801 1.00 1.00 S ATOM 0 H CYS A 109 -4.842 -10.843 -0.861 1.00 1.00 H new ATOM 0 HA CYS A 109 -4.048 -8.344 -1.816 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.419 -10.940 -2.367 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.463 -10.624 -3.738 1.00 1.00 H new ATOM 1707 N LEU A 110 -6.936 -9.354 -2.983 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.096 -8.909 -3.741 1.00 1.00 C ATOM 1709 C LEU A 110 -8.672 -7.626 -3.172 1.00 1.00 C ATOM 1710 O LEU A 110 -9.018 -6.709 -3.918 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.184 -9.978 -3.696 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.691 -11.265 -4.361 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.779 -12.335 -4.230 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.386 -11.011 -5.848 1.00 1.00 C ATOM 0 H LEU A 110 -7.050 -10.251 -2.511 1.00 1.00 H new ATOM 0 HA LEU A 110 -7.769 -8.731 -4.765 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.464 -10.179 -2.662 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -10.079 -9.618 -4.204 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.777 -11.602 -3.872 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.440 -13.258 -4.700 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -9.983 -12.519 -3.175 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.689 -11.991 -4.721 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -8.036 -11.934 -6.310 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.291 -10.673 -6.352 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -7.614 -10.246 -5.936 1.00 1.00 H new ATOM 1726 N LYS A 111 -8.797 -7.567 -1.858 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.358 -6.383 -1.239 1.00 1.00 C ATOM 1728 C LYS A 111 -8.432 -5.192 -1.441 1.00 1.00 C ATOM 1729 O LYS A 111 -8.872 -4.095 -1.786 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.571 -6.612 0.258 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.684 -7.638 0.467 1.00 1.00 C ATOM 1732 CD LYS A 111 -10.870 -7.886 1.964 1.00 1.00 C ATOM 1733 CE LYS A 111 -11.970 -8.928 2.169 1.00 1.00 C ATOM 1734 NZ LYS A 111 -12.134 -9.199 3.625 1.00 1.00 N ATOM 0 H LYS A 111 -8.524 -8.308 -1.212 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.319 -6.176 -1.709 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.647 -6.964 0.717 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -9.832 -5.673 0.746 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -11.614 -7.277 0.029 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.434 -8.570 -0.039 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -9.936 -8.234 2.406 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.134 -6.957 2.468 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -12.909 -8.569 1.747 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -11.716 -9.849 1.643 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -12.882 -9.908 3.764 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -11.239 -9.559 4.014 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -12.395 -8.319 4.115 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.146 -5.426 -1.217 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.147 -4.381 -1.360 1.00 1.00 C ATOM 1750 C PHE A 112 -6.097 -3.851 -2.788 1.00 1.00 C ATOM 1751 O PHE A 112 -6.107 -2.640 -3.007 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.779 -4.949 -0.958 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.670 -3.992 -1.336 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.527 -2.782 -0.654 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -2.787 -4.320 -2.373 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.502 -1.897 -1.007 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -1.765 -3.437 -2.727 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.622 -2.225 -2.046 1.00 1.00 C ATOM 0 H PHE A 112 -6.772 -6.332 -0.935 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.413 -3.547 -0.711 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.757 -5.132 0.116 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.620 -5.909 -1.448 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -4.207 -2.529 0.146 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -2.897 -5.257 -2.899 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.390 -0.962 -0.479 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -1.085 -3.691 -3.527 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.833 -1.541 -2.321 1.00 1.00 H new ATOM 1768 N LEU A 113 -6.025 -4.755 -3.756 1.00 1.00 N ATOM 1769 CA LEU A 113 -5.955 -4.338 -5.146 1.00 1.00 C ATOM 1770 C LEU A 113 -7.268 -3.703 -5.600 1.00 1.00 C ATOM 1771 O LEU A 113 -7.263 -2.701 -6.312 1.00 1.00 O ATOM 1772 CB LEU A 113 -5.611 -5.539 -6.030 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.195 -6.040 -5.696 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -3.929 -7.340 -6.460 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.138 -4.978 -6.075 1.00 1.00 C ATOM 0 H LEU A 113 -6.014 -5.764 -3.607 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.172 -3.586 -5.240 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.336 -6.338 -5.873 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -5.669 -5.257 -7.081 1.00 1.00 H new ATOM 0 HG LEU A 113 -4.125 -6.223 -4.624 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -2.927 -7.700 -6.227 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -4.662 -8.091 -6.166 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -4.009 -7.155 -7.531 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.143 -5.351 -5.831 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.196 -4.772 -7.144 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.328 -4.061 -5.518 1.00 1.00 H new ATOM 1787 N SER A 114 -8.385 -4.292 -5.194 1.00 1.00 N ATOM 1788 CA SER A 114 -9.695 -3.771 -5.579 1.00 1.00 C ATOM 1789 C SER A 114 -9.927 -2.368 -5.020 1.00 1.00 C ATOM 1790 O SER A 114 -10.416 -1.484 -5.724 1.00 1.00 O ATOM 1791 CB SER A 114 -10.796 -4.704 -5.075 1.00 1.00 C ATOM 1792 OG SER A 114 -12.062 -4.206 -5.489 1.00 1.00 O ATOM 0 H SER A 114 -8.414 -5.123 -4.604 1.00 1.00 H new ATOM 0 HA SER A 114 -9.723 -3.716 -6.667 1.00 1.00 H new ATOM 0 HB2 SER A 114 -10.643 -5.710 -5.466 1.00 1.00 H new ATOM 0 HB3 SER A 114 -10.758 -4.775 -3.988 1.00 1.00 H new ATOM 0 HG SER A 114 -12.769 -4.804 -5.168 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.593 -2.173 -3.748 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.791 -0.876 -3.106 1.00 1.00 C ATOM 1800 C ALA A 115 -8.829 0.176 -3.661 1.00 1.00 C ATOM 1801 O ALA A 115 -9.249 1.271 -4.040 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.605 -1.017 -1.588 1.00 1.00 C ATOM 0 H ALA A 115 -9.187 -2.889 -3.145 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.806 -0.541 -3.319 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.753 -0.048 -1.112 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -10.332 -1.729 -1.197 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.597 -1.375 -1.377 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.543 -0.157 -3.703 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.535 0.775 -4.211 1.00 1.00 C ATOM 1810 C VAL A 116 -6.785 1.098 -5.683 1.00 1.00 C ATOM 1811 O VAL A 116 -6.717 2.257 -6.092 1.00 1.00 O ATOM 1812 CB VAL A 116 -5.131 0.179 -4.037 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -4.101 1.021 -4.803 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.767 0.176 -2.554 1.00 1.00 C ATOM 0 H VAL A 116 -7.173 -1.056 -3.395 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.606 1.700 -3.639 1.00 1.00 H new ATOM 0 HB VAL A 116 -5.125 -0.839 -4.428 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -3.109 0.589 -4.673 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.356 1.032 -5.863 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -4.106 2.041 -4.418 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.771 -0.246 -2.425 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.780 1.198 -2.174 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.490 -0.425 -2.003 1.00 1.00 H new ATOM 1824 N LEU A 117 -7.064 0.071 -6.475 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.311 0.270 -7.899 1.00 1.00 C ATOM 1826 C LEU A 117 -8.515 1.182 -8.105 1.00 1.00 C ATOM 1827 O LEU A 117 -8.476 2.110 -8.910 1.00 1.00 O ATOM 1828 CB LEU A 117 -7.567 -1.085 -8.568 1.00 1.00 C ATOM 1829 CG LEU A 117 -7.956 -0.894 -10.039 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -6.870 -0.099 -10.775 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -8.124 -2.267 -10.691 1.00 1.00 C ATOM 0 H LEU A 117 -7.125 -0.898 -6.162 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.436 0.739 -8.348 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -6.673 -1.705 -8.500 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -8.362 -1.613 -8.041 1.00 1.00 H new ATOM 0 HG LEU A 117 -8.893 -0.340 -10.097 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -7.158 0.030 -11.818 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -6.754 0.879 -10.307 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -5.925 -0.640 -10.723 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -8.401 -2.141 -11.738 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -7.185 -2.817 -10.627 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -8.906 -2.822 -10.173 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.578 0.904 -7.368 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.796 1.698 -7.469 1.00 1.00 C ATOM 1845 C ALA A 118 -10.522 3.148 -7.088 1.00 1.00 C ATOM 1846 O ALA A 118 -11.111 4.071 -7.653 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.872 1.116 -6.551 1.00 1.00 C ATOM 0 H ALA A 118 -9.625 0.138 -6.696 1.00 1.00 H new ATOM 0 HA ALA A 118 -11.146 1.669 -8.501 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.780 1.713 -6.631 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -12.086 0.089 -6.847 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.518 1.130 -5.520 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.630 3.344 -6.126 1.00 1.00 N ATOM 1854 CA ALA A 119 -9.294 4.690 -5.680 1.00 1.00 C ATOM 1855 C ALA A 119 -8.675 5.499 -6.816 1.00 1.00 C ATOM 1856 O ALA A 119 -8.995 6.671 -6.996 1.00 1.00 O ATOM 1857 CB ALA A 119 -8.315 4.621 -4.508 1.00 1.00 C ATOM 0 H ALA A 119 -9.131 2.597 -5.644 1.00 1.00 H new ATOM 0 HA ALA A 119 -10.212 5.184 -5.361 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -8.068 5.631 -4.180 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.772 4.073 -3.684 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -7.405 4.110 -4.823 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.784 4.872 -7.580 1.00 1.00 N ATOM 1864 CA GLN A 120 -7.129 5.564 -8.688 1.00 1.00 C ATOM 1865 C GLN A 120 -8.119 5.924 -9.791 1.00 1.00 C ATOM 1866 O GLN A 120 -8.045 7.005 -10.375 1.00 1.00 O ATOM 1867 CB GLN A 120 -6.012 4.700 -9.276 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.856 4.610 -8.283 1.00 1.00 C ATOM 1869 CD GLN A 120 -3.720 3.787 -8.877 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -2.562 4.352 -9.091 1.00 1.00 O flip ATOM 1871 NE2 GLN A 120 -3.891 2.600 -9.158 1.00 1.00 N flip ATOM 0 H GLN A 120 -7.501 3.900 -7.456 1.00 1.00 H new ATOM 0 HA GLN A 120 -6.707 6.486 -8.287 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -6.390 3.703 -9.500 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -5.664 5.128 -10.216 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -4.500 5.610 -8.035 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -5.199 4.154 -7.354 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -4.796 2.161 -8.990 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -3.127 2.056 -9.559 1.00 1.00 H new ATOM 1880 N LYS A 121 -9.038 5.012 -10.078 1.00 1.00 N ATOM 1881 CA LYS A 121 -10.032 5.245 -11.124 1.00 1.00 C ATOM 1882 C LYS A 121 -10.909 6.417 -10.755 1.00 1.00 C ATOM 1883 O LYS A 121 -11.223 7.273 -11.581 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.924 4.024 -11.255 1.00 1.00 C ATOM 1885 CG LYS A 121 -10.091 2.834 -11.718 1.00 1.00 C ATOM 1886 CD LYS A 121 -10.944 1.563 -11.654 1.00 1.00 C ATOM 1887 CE LYS A 121 -11.859 1.471 -12.878 1.00 1.00 C ATOM 1888 NZ LYS A 121 -12.461 0.110 -12.933 1.00 1.00 N ATOM 0 H LYS A 121 -9.118 4.111 -9.607 1.00 1.00 H new ATOM 0 HA LYS A 121 -9.509 5.446 -12.059 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -11.396 3.801 -10.298 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -11.725 4.220 -11.968 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -9.737 2.997 -12.736 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -9.209 2.726 -11.087 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -10.298 0.686 -11.608 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -11.543 1.565 -10.744 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -12.642 2.227 -12.820 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -11.292 1.669 -13.788 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -13.084 0.039 -13.762 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -11.706 -0.601 -13.006 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -13.014 -0.060 -12.069 1.00 1.00 H new ATOM 1902 N ALA A 122 -11.317 6.424 -9.505 1.00 1.00 N ATOM 1903 CA ALA A 122 -12.184 7.472 -9.006 1.00 1.00 C ATOM 1904 C ALA A 122 -11.519 8.844 -9.128 1.00 1.00 C ATOM 1905 O ALA A 122 -12.171 9.823 -9.492 1.00 1.00 O ATOM 1906 CB ALA A 122 -12.536 7.176 -7.551 1.00 1.00 C ATOM 0 H ALA A 122 -11.063 5.717 -8.815 1.00 1.00 H new ATOM 0 HA ALA A 122 -13.094 7.495 -9.606 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -13.189 7.960 -7.168 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -13.048 6.216 -7.489 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -11.623 7.140 -6.956 1.00 1.00 H new ATOM 1912 N GLN A 123 -10.225 8.913 -8.836 1.00 1.00 N ATOM 1913 CA GLN A 123 -9.504 10.180 -8.934 1.00 1.00 C ATOM 1914 C GLN A 123 -9.425 10.645 -10.382 1.00 1.00 C ATOM 1915 O GLN A 123 -9.572 11.832 -10.671 1.00 1.00 O ATOM 1916 CB GLN A 123 -8.093 10.033 -8.369 1.00 1.00 C ATOM 1917 CG GLN A 123 -8.170 9.837 -6.857 1.00 1.00 C ATOM 1918 CD GLN A 123 -6.769 9.669 -6.281 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -5.785 9.702 -7.019 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -6.620 9.506 -4.997 1.00 1.00 N ATOM 0 H GLN A 123 -9.659 8.120 -8.534 1.00 1.00 H new ATOM 0 HA GLN A 123 -10.049 10.924 -8.353 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -7.591 9.183 -8.832 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -7.502 10.919 -8.602 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -8.661 10.694 -6.396 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -8.775 8.960 -6.626 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -7.438 9.479 -4.388 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -5.686 9.405 -4.601 1.00 1.00 H new ATOM 1929 N SER A 124 -9.188 9.704 -11.288 1.00 1.00 N ATOM 1930 CA SER A 124 -9.088 10.033 -12.705 1.00 1.00 C ATOM 1931 C SER A 124 -10.474 10.235 -13.308 1.00 1.00 C ATOM 1932 O SER A 124 -10.584 11.010 -14.244 1.00 1.00 O ATOM 1933 CB SER A 124 -8.364 8.912 -13.451 1.00 1.00 C ATOM 1934 OG SER A 124 -6.988 8.924 -13.094 1.00 1.00 O ATOM 1935 OXT SER A 124 -11.406 9.615 -12.824 1.00 1.00 O ATOM 0 H SER A 124 -9.062 8.716 -11.070 1.00 1.00 H new ATOM 0 HA SER A 124 -8.523 10.960 -12.804 1.00 1.00 H new ATOM 0 HB2 SER A 124 -8.808 7.948 -13.202 1.00 1.00 H new ATOM 0 HB3 SER A 124 -8.474 9.045 -14.527 1.00 1.00 H new ATOM 0 HG SER A 124 -6.521 8.205 -13.569 1.00 1.00 H new TER 1941 SER A 124