USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 733 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 NoAdj-H: A 10 HIS HD1 : A 10 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 75 ASN : amide:sc= -7.1! C(o=-12!,f=-23!) USER MOD Set 1.2: A 77 THR OG1 : rot 71:sc= -4.7! USER MOD Set 2.1: A 31 GLN : amide:sc= -6.85! C(o=-7!,f=-6.1!) USER MOD Set 2.2: A 32 SER OG : rot 116:sc= -0.113! USER MOD Single : A 1 MET CE :methyl 146:sc= 0 (180deg=-0.0173) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.0287 (180deg=-0.345) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.575 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -124:sc= -1.32! (180deg=-3.03!) USER MOD Single : A 26 SER OG : rot -52:sc= -0.652 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.05! USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 45 GLN : amide:sc= -3.92 K(o=-3.9,f=-3.1) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -150:sc= -0.732 USER MOD Single : A 61 SER OG : rot 180:sc= -0.598 USER MOD Single : A 62 THR OG1 : rot 22:sc= -2.08 USER MOD Single : A 66 GLN : amide:sc= -0.0497 K(o=-0.05,f=-0.7) USER MOD Single : A 68 LYS NZ :NH3+ -112:sc= -0.0885 (180deg=-1.21) USER MOD Single : A 69 LYS NZ :NH3+ -129:sc= 1.27 (180deg=-0.0501) USER MOD Single : A 71 ASN : amide:sc= -2.23! C(o=-2.2!,f=-2.4!) USER MOD Single : A 73 THR OG1 : rot 18:sc= -0.0516! USER MOD Single : A 78 THR OG1 : rot 160:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -122:sc= -0.605 (180deg=-2.33!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.816 -5.874 1.490 1.00 0.00 N ATOM 2 CA MET A 1 18.488 -4.561 2.114 1.00 0.00 C ATOM 3 C MET A 1 18.463 -3.476 1.037 1.00 0.00 C ATOM 4 O MET A 1 19.421 -3.280 0.316 1.00 0.00 O ATOM 5 CB MET A 1 19.549 -4.215 3.162 1.00 0.00 C ATOM 6 CG MET A 1 19.369 -5.108 4.393 1.00 0.00 C ATOM 7 SD MET A 1 17.984 -4.497 5.385 1.00 0.00 S ATOM 8 CE MET A 1 18.906 -3.258 6.330 1.00 0.00 C ATOM 0 H1 MET A 1 18.480 -6.644 2.103 1.00 0.00 H new ATOM 0 H2 MET A 1 18.352 -5.943 0.562 1.00 0.00 H new ATOM 0 H3 MET A 1 19.846 -5.953 1.369 1.00 0.00 H new ATOM 0 HA MET A 1 17.510 -4.621 2.592 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.546 -4.353 2.743 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.465 -3.166 3.446 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.183 -6.137 4.085 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.282 -5.113 4.988 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.263 -2.401 6.531 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.237 -3.692 7.273 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.774 -2.934 5.756 1.00 0.00 H new ATOM 18 N GLY A 2 17.373 -2.767 0.920 1.00 0.00 N ATOM 19 CA GLY A 2 17.287 -1.694 -0.111 1.00 0.00 C ATOM 20 C GLY A 2 18.075 -0.469 0.358 1.00 0.00 C ATOM 21 O GLY A 2 19.184 -0.230 -0.077 1.00 0.00 O ATOM 0 H GLY A 2 16.538 -2.885 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 2 17.685 -2.054 -1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 2 16.245 -1.425 -0.284 1.00 0.00 H new ATOM 25 N ASP A 3 17.509 0.309 1.244 1.00 0.00 N ATOM 26 CA ASP A 3 18.218 1.523 1.748 1.00 0.00 C ATOM 27 C ASP A 3 18.105 1.580 3.273 1.00 0.00 C ATOM 28 O ASP A 3 18.798 0.879 3.982 1.00 0.00 O ATOM 29 CB ASP A 3 17.577 2.775 1.145 1.00 0.00 C ATOM 30 CG ASP A 3 17.933 2.868 -0.340 1.00 0.00 C ATOM 31 OD1 ASP A 3 17.268 3.610 -1.043 1.00 0.00 O ATOM 32 OD2 ASP A 3 18.866 2.195 -0.749 1.00 0.00 O ATOM 0 H ASP A 3 16.582 0.155 1.642 1.00 0.00 H new ATOM 0 HA ASP A 3 19.268 1.477 1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 3 16.495 2.737 1.268 1.00 0.00 H new ATOM 0 HB3 ASP A 3 17.927 3.664 1.670 1.00 0.00 H new ATOM 37 N SER A 4 17.236 2.411 3.784 1.00 0.00 N ATOM 38 CA SER A 4 17.080 2.512 5.263 1.00 0.00 C ATOM 39 C SER A 4 16.050 1.486 5.736 1.00 0.00 C ATOM 40 O SER A 4 15.215 1.044 4.977 1.00 0.00 O ATOM 41 CB SER A 4 16.605 3.918 5.631 1.00 0.00 C ATOM 42 OG SER A 4 15.238 4.061 5.268 1.00 0.00 O ATOM 0 H SER A 4 16.628 3.024 3.241 1.00 0.00 H new ATOM 0 HA SER A 4 18.038 2.315 5.744 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.729 4.088 6.700 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.210 4.665 5.117 1.00 0.00 H new ATOM 0 HG SER A 4 14.929 4.961 5.504 1.00 0.00 H new ATOM 48 N ARG A 5 16.107 1.102 6.987 1.00 0.00 N ATOM 49 CA ARG A 5 15.134 0.097 7.519 1.00 0.00 C ATOM 50 C ARG A 5 13.740 0.365 6.940 1.00 0.00 C ATOM 51 O ARG A 5 13.036 -0.545 6.548 1.00 0.00 O ATOM 52 CB ARG A 5 15.079 0.190 9.054 1.00 0.00 C ATOM 53 CG ARG A 5 15.773 1.472 9.526 1.00 0.00 C ATOM 54 CD ARG A 5 15.436 1.732 11.001 1.00 0.00 C ATOM 55 NE ARG A 5 16.655 2.218 11.708 1.00 0.00 N ATOM 56 CZ ARG A 5 16.718 2.164 13.011 1.00 0.00 C ATOM 57 NH1 ARG A 5 17.787 2.585 13.630 1.00 0.00 N ATOM 58 NH2 ARG A 5 15.714 1.688 13.695 1.00 0.00 N ATOM 0 H ARG A 5 16.788 1.442 7.666 1.00 0.00 H new ATOM 0 HA ARG A 5 15.459 -0.902 7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.042 0.183 9.390 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.564 -0.680 9.497 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.852 1.380 9.401 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.452 2.316 8.916 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.638 2.471 11.079 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.071 0.818 11.469 1.00 0.00 H new ATOM 0 HE ARG A 5 17.439 2.592 11.174 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.573 2.956 13.096 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.837 2.543 14.648 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.879 1.358 13.212 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.764 1.646 14.713 1.00 0.00 H new ATOM 72 N ASP A 6 13.339 1.606 6.889 1.00 0.00 N ATOM 73 CA ASP A 6 11.993 1.944 6.336 1.00 0.00 C ATOM 74 C ASP A 6 11.707 1.073 5.110 1.00 0.00 C ATOM 75 O ASP A 6 10.570 0.807 4.773 1.00 0.00 O ATOM 76 CB ASP A 6 11.982 3.423 5.928 1.00 0.00 C ATOM 77 CG ASP A 6 10.630 4.054 6.276 1.00 0.00 C ATOM 78 OD1 ASP A 6 9.664 3.317 6.382 1.00 0.00 O ATOM 79 OD2 ASP A 6 10.586 5.263 6.433 1.00 0.00 O ATOM 0 H ASP A 6 13.887 2.405 7.208 1.00 0.00 H new ATOM 0 HA ASP A 6 11.228 1.761 7.090 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.783 3.956 6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 6 12.171 3.515 4.858 1.00 0.00 H new ATOM 84 N LEU A 7 12.733 0.636 4.437 1.00 0.00 N ATOM 85 CA LEU A 7 12.531 -0.211 3.228 1.00 0.00 C ATOM 86 C LEU A 7 12.136 -1.634 3.647 1.00 0.00 C ATOM 87 O LEU A 7 12.400 -2.062 4.754 1.00 0.00 O ATOM 88 CB LEU A 7 13.831 -0.200 2.384 1.00 0.00 C ATOM 89 CG LEU A 7 14.706 -1.458 2.607 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.916 -1.737 4.107 1.00 0.00 C ATOM 91 CD2 LEU A 7 14.071 -2.682 1.921 1.00 0.00 C ATOM 0 H LEU A 7 13.707 0.829 4.672 1.00 0.00 H new ATOM 0 HA LEU A 7 11.720 0.186 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.572 -0.127 1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.412 0.689 2.632 1.00 0.00 H new ATOM 0 HG LEU A 7 15.682 -1.268 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.534 -2.626 4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.412 -0.884 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.950 -1.898 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.698 -3.558 2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.080 -2.860 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.985 -2.495 0.851 1.00 0.00 H new ATOM 103 N CYS A 8 11.500 -2.367 2.770 1.00 0.00 N ATOM 104 CA CYS A 8 11.084 -3.765 3.099 1.00 0.00 C ATOM 105 C CYS A 8 11.592 -4.701 1.994 1.00 0.00 C ATOM 106 O CYS A 8 11.882 -4.275 0.897 1.00 0.00 O ATOM 107 CB CYS A 8 9.544 -3.850 3.212 1.00 0.00 C ATOM 108 SG CYS A 8 8.896 -5.115 2.074 1.00 0.00 S ATOM 0 H CYS A 8 11.249 -2.055 1.832 1.00 0.00 H new ATOM 0 HA CYS A 8 11.511 -4.063 4.057 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.261 -4.093 4.236 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.101 -2.881 2.980 1.00 0.00 H new ATOM 113 N PRO A 9 11.707 -5.965 2.289 1.00 0.00 N ATOM 114 CA PRO A 9 12.196 -6.989 1.312 1.00 0.00 C ATOM 115 C PRO A 9 11.353 -7.001 0.036 1.00 0.00 C ATOM 116 O PRO A 9 11.851 -6.842 -1.060 1.00 0.00 O ATOM 117 CB PRO A 9 12.032 -8.317 2.071 1.00 0.00 C ATOM 118 CG PRO A 9 11.069 -8.012 3.168 1.00 0.00 C ATOM 119 CD PRO A 9 11.370 -6.578 3.575 1.00 0.00 C ATOM 0 HA PRO A 9 13.219 -6.794 0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.651 -9.102 1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.985 -8.667 2.467 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.039 -8.117 2.828 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.199 -8.695 4.007 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.511 -6.098 4.044 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.195 -6.519 4.285 1.00 0.00 H new ATOM 127 N HIS A 10 10.074 -7.188 0.185 1.00 0.00 N ATOM 128 CA HIS A 10 9.171 -7.213 -1.004 1.00 0.00 C ATOM 129 C HIS A 10 8.962 -5.784 -1.502 1.00 0.00 C ATOM 130 O HIS A 10 8.258 -5.544 -2.461 1.00 0.00 O ATOM 131 CB HIS A 10 7.817 -7.834 -0.619 1.00 0.00 C ATOM 132 CG HIS A 10 8.031 -8.908 0.411 1.00 0.00 C ATOM 133 ND1 HIS A 10 8.109 -8.638 1.777 1.00 0.00 N ATOM 134 CD2 HIS A 10 8.179 -10.268 0.286 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.296 -9.818 2.403 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.344 -10.834 1.541 1.00 0.00 N ATOM 0 H HIS A 10 9.609 -7.326 1.083 1.00 0.00 H new ATOM 0 HA HIS A 10 9.623 -7.814 -1.793 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.152 -7.066 -0.225 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.333 -8.253 -1.501 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.168 -10.813 -0.647 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.395 -9.927 3.473 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.475 -11.822 1.759 1.00 0.00 H new ATOM 144 N LEU A 11 9.573 -4.835 -0.854 1.00 0.00 N ATOM 145 CA LEU A 11 9.418 -3.416 -1.277 1.00 0.00 C ATOM 146 C LEU A 11 10.168 -3.182 -2.588 1.00 0.00 C ATOM 147 O LEU A 11 9.838 -2.297 -3.352 1.00 0.00 O ATOM 148 CB LEU A 11 9.982 -2.512 -0.179 1.00 0.00 C ATOM 149 CG LEU A 11 9.501 -1.062 -0.378 1.00 0.00 C ATOM 150 CD1 LEU A 11 9.200 -0.421 0.982 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.590 -0.251 -1.094 1.00 0.00 C ATOM 0 H LEU A 11 10.177 -4.981 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 11 8.364 -3.187 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.666 -2.876 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.071 -2.546 -0.195 1.00 0.00 H new ATOM 0 HG LEU A 11 8.594 -1.068 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.860 0.604 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.422 -0.991 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.104 -0.419 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.247 0.774 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.499 -0.251 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.798 -0.699 -2.065 1.00 0.00 H new ATOM 163 N ASP A 12 11.168 -3.971 -2.860 1.00 0.00 N ATOM 164 CA ASP A 12 11.932 -3.797 -4.127 1.00 0.00 C ATOM 165 C ASP A 12 11.258 -4.606 -5.236 1.00 0.00 C ATOM 166 O ASP A 12 11.463 -4.364 -6.409 1.00 0.00 O ATOM 167 CB ASP A 12 13.360 -4.304 -3.927 1.00 0.00 C ATOM 168 CG ASP A 12 14.115 -4.247 -5.257 1.00 0.00 C ATOM 169 OD1 ASP A 12 13.827 -3.358 -6.041 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.968 -5.093 -5.468 1.00 0.00 O ATOM 0 H ASP A 12 11.490 -4.730 -2.260 1.00 0.00 H new ATOM 0 HA ASP A 12 11.953 -2.743 -4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.871 -3.696 -3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.344 -5.326 -3.549 1.00 0.00 H new ATOM 175 N SER A 13 10.464 -5.575 -4.871 1.00 0.00 N ATOM 176 CA SER A 13 9.782 -6.415 -5.898 1.00 0.00 C ATOM 177 C SER A 13 8.527 -5.706 -6.420 1.00 0.00 C ATOM 178 O SER A 13 8.041 -6.004 -7.492 1.00 0.00 O ATOM 179 CB SER A 13 9.383 -7.750 -5.268 1.00 0.00 C ATOM 180 OG SER A 13 9.016 -8.662 -6.295 1.00 0.00 O ATOM 0 H SER A 13 10.257 -5.822 -3.903 1.00 0.00 H new ATOM 0 HA SER A 13 10.464 -6.582 -6.731 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.212 -8.153 -4.687 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.551 -7.606 -4.579 1.00 0.00 H new ATOM 0 HG SER A 13 8.761 -9.520 -5.895 1.00 0.00 H new ATOM 186 N ILE A 14 7.991 -4.778 -5.673 1.00 0.00 N ATOM 187 CA ILE A 14 6.759 -4.068 -6.136 1.00 0.00 C ATOM 188 C ILE A 14 7.138 -2.885 -7.036 1.00 0.00 C ATOM 189 O ILE A 14 6.343 -2.416 -7.824 1.00 0.00 O ATOM 190 CB ILE A 14 5.996 -3.547 -4.923 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.931 -2.699 -4.059 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.473 -4.729 -4.101 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.106 -1.863 -3.077 1.00 0.00 C ATOM 0 H ILE A 14 8.350 -4.480 -4.766 1.00 0.00 H new ATOM 0 HA ILE A 14 6.138 -4.763 -6.701 1.00 0.00 H new ATOM 0 HB ILE A 14 5.156 -2.938 -5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.622 -3.342 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.534 -2.047 -4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.928 -4.356 -3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.807 -5.334 -4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.312 -5.339 -3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.774 -1.260 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.433 -1.209 -3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.522 -2.525 -2.437 1.00 0.00 H new ATOM 205 N GLY A 15 8.339 -2.387 -6.918 1.00 0.00 N ATOM 206 CA GLY A 15 8.751 -1.229 -7.766 1.00 0.00 C ATOM 207 C GLY A 15 7.981 0.025 -7.338 1.00 0.00 C ATOM 208 O GLY A 15 7.567 0.150 -6.201 1.00 0.00 O ATOM 0 H GLY A 15 9.052 -2.730 -6.274 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.823 -1.059 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.555 -1.447 -8.816 1.00 0.00 H new ATOM 212 N GLU A 16 7.788 0.956 -8.239 1.00 0.00 N ATOM 213 CA GLU A 16 7.046 2.208 -7.891 1.00 0.00 C ATOM 214 C GLU A 16 5.939 2.448 -8.923 1.00 0.00 C ATOM 215 O GLU A 16 6.181 2.953 -10.002 1.00 0.00 O ATOM 216 CB GLU A 16 8.019 3.395 -7.895 1.00 0.00 C ATOM 217 CG GLU A 16 7.273 4.694 -7.563 1.00 0.00 C ATOM 218 CD GLU A 16 6.514 4.534 -6.244 1.00 0.00 C ATOM 219 OE1 GLU A 16 7.149 4.607 -5.205 1.00 0.00 O ATOM 220 OE2 GLU A 16 5.310 4.342 -6.296 1.00 0.00 O ATOM 0 H GLU A 16 8.113 0.903 -9.204 1.00 0.00 H new ATOM 0 HA GLU A 16 6.602 2.106 -6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.812 3.227 -7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.496 3.480 -8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.979 5.521 -7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.578 4.940 -8.366 1.00 0.00 H new ATOM 227 N VAL A 17 4.729 2.086 -8.597 1.00 0.00 N ATOM 228 CA VAL A 17 3.599 2.288 -9.550 1.00 0.00 C ATOM 229 C VAL A 17 3.405 3.793 -9.793 1.00 0.00 C ATOM 230 O VAL A 17 4.213 4.602 -9.381 1.00 0.00 O ATOM 231 CB VAL A 17 2.326 1.655 -8.957 1.00 0.00 C ATOM 232 CG1 VAL A 17 1.551 2.686 -8.130 1.00 0.00 C ATOM 233 CG2 VAL A 17 1.433 1.121 -10.087 1.00 0.00 C ATOM 0 H VAL A 17 4.472 1.657 -7.708 1.00 0.00 H new ATOM 0 HA VAL A 17 3.815 1.810 -10.506 1.00 0.00 H new ATOM 0 HB VAL A 17 2.618 0.831 -8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.654 2.223 -7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.180 3.046 -7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.267 3.524 -8.767 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.535 0.675 -9.661 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.152 1.941 -10.747 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.978 0.367 -10.656 1.00 0.00 H new ATOM 243 N THR A 18 2.345 4.178 -10.457 1.00 0.00 N ATOM 244 CA THR A 18 2.118 5.629 -10.713 1.00 0.00 C ATOM 245 C THR A 18 1.838 6.329 -9.386 1.00 0.00 C ATOM 246 O THR A 18 1.030 5.887 -8.598 1.00 0.00 O ATOM 247 CB THR A 18 0.919 5.797 -11.661 1.00 0.00 C ATOM 248 OG1 THR A 18 0.278 4.541 -11.835 1.00 0.00 O ATOM 249 CG2 THR A 18 1.397 6.312 -13.022 1.00 0.00 C ATOM 0 H THR A 18 1.631 3.553 -10.831 1.00 0.00 H new ATOM 0 HA THR A 18 3.001 6.070 -11.175 1.00 0.00 H new ATOM 0 HB THR A 18 0.220 6.514 -11.230 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.488 4.645 -12.438 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.542 6.428 -13.688 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.891 7.275 -12.894 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.099 5.599 -13.455 1.00 0.00 H new ATOM 257 N LYS A 19 2.489 7.427 -9.141 1.00 0.00 N ATOM 258 CA LYS A 19 2.244 8.162 -7.871 1.00 0.00 C ATOM 259 C LYS A 19 0.784 8.592 -7.884 1.00 0.00 C ATOM 260 O LYS A 19 0.017 8.260 -7.003 1.00 0.00 O ATOM 261 CB LYS A 19 3.169 9.387 -7.782 1.00 0.00 C ATOM 262 CG LYS A 19 4.113 9.418 -8.994 1.00 0.00 C ATOM 263 CD LYS A 19 5.434 10.103 -8.615 1.00 0.00 C ATOM 264 CE LYS A 19 6.414 9.059 -8.068 1.00 0.00 C ATOM 265 NZ LYS A 19 7.493 9.746 -7.301 1.00 0.00 N ATOM 0 H LYS A 19 3.179 7.848 -9.763 1.00 0.00 H new ATOM 0 HA LYS A 19 2.452 7.533 -7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.575 10.300 -7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.748 9.350 -6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.307 8.403 -9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.641 9.951 -9.819 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.862 10.598 -9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.254 10.875 -7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.889 8.353 -7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.845 8.484 -8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.159 9.039 -6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.000 10.403 -7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.074 10.276 -6.510 1.00 0.00 H new ATOM 279 N GLU A 20 0.389 9.301 -8.905 1.00 0.00 N ATOM 280 CA GLU A 20 -1.023 9.719 -9.020 1.00 0.00 C ATOM 281 C GLU A 20 -1.897 8.522 -8.664 1.00 0.00 C ATOM 282 O GLU A 20 -2.920 8.650 -8.030 1.00 0.00 O ATOM 283 CB GLU A 20 -1.301 10.174 -10.449 1.00 0.00 C ATOM 284 CG GLU A 20 -2.811 10.209 -10.710 1.00 0.00 C ATOM 285 CD GLU A 20 -3.066 10.513 -12.188 1.00 0.00 C ATOM 286 OE1 GLU A 20 -2.438 11.424 -12.702 1.00 0.00 O ATOM 287 OE2 GLU A 20 -3.885 9.828 -12.780 1.00 0.00 O ATOM 0 H GLU A 20 0.994 9.608 -9.667 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.239 10.548 -8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.873 11.163 -10.613 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.818 9.497 -11.154 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.260 9.252 -10.442 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.281 10.968 -10.085 1.00 0.00 H new ATOM 294 N ASP A 21 -1.484 7.347 -9.049 1.00 0.00 N ATOM 295 CA ASP A 21 -2.289 6.144 -8.704 1.00 0.00 C ATOM 296 C ASP A 21 -2.563 6.191 -7.205 1.00 0.00 C ATOM 297 O ASP A 21 -3.656 5.934 -6.748 1.00 0.00 O ATOM 298 CB ASP A 21 -1.514 4.870 -9.059 1.00 0.00 C ATOM 299 CG ASP A 21 -2.488 3.697 -9.190 1.00 0.00 C ATOM 300 OD1 ASP A 21 -2.059 2.643 -9.630 1.00 0.00 O ATOM 301 OD2 ASP A 21 -3.647 3.874 -8.849 1.00 0.00 O ATOM 0 H ASP A 21 -0.633 7.169 -9.582 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.224 6.135 -9.265 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.971 5.011 -9.993 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.773 4.656 -8.289 1.00 0.00 H new ATOM 306 N LEU A 22 -1.576 6.555 -6.439 1.00 0.00 N ATOM 307 CA LEU A 22 -1.778 6.657 -4.970 1.00 0.00 C ATOM 308 C LEU A 22 -2.659 7.867 -4.695 1.00 0.00 C ATOM 309 O LEU A 22 -3.289 7.980 -3.663 1.00 0.00 O ATOM 310 CB LEU A 22 -0.429 6.828 -4.264 1.00 0.00 C ATOM 311 CG LEU A 22 0.291 5.480 -4.203 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.406 4.897 -5.613 1.00 0.00 C ATOM 313 CD2 LEU A 22 1.690 5.680 -3.615 1.00 0.00 C ATOM 0 H LEU A 22 -0.638 6.786 -6.767 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.252 5.750 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.183 7.555 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.580 7.217 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.274 4.792 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.919 3.936 -5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.591 4.757 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.972 5.582 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.206 4.721 -3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.255 6.367 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.607 6.095 -2.610 1.00 0.00 H new ATOM 325 N LEU A 23 -2.703 8.773 -5.624 1.00 0.00 N ATOM 326 CA LEU A 23 -3.534 9.988 -5.454 1.00 0.00 C ATOM 327 C LEU A 23 -4.991 9.646 -5.777 1.00 0.00 C ATOM 328 O LEU A 23 -5.876 9.897 -4.982 1.00 0.00 O ATOM 329 CB LEU A 23 -2.988 11.070 -6.393 1.00 0.00 C ATOM 330 CG LEU A 23 -1.487 11.275 -6.110 1.00 0.00 C ATOM 331 CD1 LEU A 23 -0.982 12.513 -6.867 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.258 11.481 -4.606 1.00 0.00 C ATOM 0 H LEU A 23 -2.192 8.722 -6.505 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.496 10.357 -4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.138 10.776 -7.432 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.529 12.004 -6.245 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.943 10.391 -6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.080 12.655 -6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.132 12.371 -7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.535 13.392 -6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.194 11.625 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.809 12.360 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.608 10.604 -4.061 1.00 0.00 H new ATOM 344 N LEU A 24 -5.265 9.040 -6.906 1.00 0.00 N ATOM 345 CA LEU A 24 -6.678 8.671 -7.185 1.00 0.00 C ATOM 346 C LEU A 24 -7.082 7.616 -6.176 1.00 0.00 C ATOM 347 O LEU A 24 -8.138 7.690 -5.604 1.00 0.00 O ATOM 348 CB LEU A 24 -6.856 8.131 -8.608 1.00 0.00 C ATOM 349 CG LEU A 24 -6.059 6.833 -8.815 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.971 5.616 -8.615 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.510 6.802 -10.246 1.00 0.00 C ATOM 0 H LEU A 24 -4.588 8.792 -7.627 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.306 9.558 -7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.913 7.946 -8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.528 8.881 -9.328 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.243 6.800 -8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.396 4.702 -8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.377 5.628 -7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.789 5.652 -9.335 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.944 5.883 -10.399 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.338 6.840 -10.954 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.858 7.661 -10.404 1.00 0.00 H new ATOM 363 N LYS A 25 -6.238 6.648 -5.922 1.00 0.00 N ATOM 364 CA LYS A 25 -6.596 5.621 -4.908 1.00 0.00 C ATOM 365 C LYS A 25 -7.101 6.363 -3.672 1.00 0.00 C ATOM 366 O LYS A 25 -8.094 6.007 -3.071 1.00 0.00 O ATOM 367 CB LYS A 25 -5.357 4.793 -4.555 1.00 0.00 C ATOM 368 CG LYS A 25 -5.069 3.788 -5.678 1.00 0.00 C ATOM 369 CD LYS A 25 -3.636 3.251 -5.535 1.00 0.00 C ATOM 370 CE LYS A 25 -3.507 1.890 -6.233 1.00 0.00 C ATOM 371 NZ LYS A 25 -2.456 1.084 -5.552 1.00 0.00 N ATOM 0 H LYS A 25 -5.329 6.528 -6.368 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.361 4.945 -5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.498 5.449 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.516 4.266 -3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.782 2.965 -5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.193 4.267 -6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.930 3.959 -5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.381 3.152 -4.480 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.461 1.363 -6.205 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.250 2.030 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.737 0.795 -6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.009 1.655 -4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.888 0.238 -5.128 1.00 0.00 H new ATOM 385 N SER A 26 -6.425 7.421 -3.318 1.00 0.00 N ATOM 386 CA SER A 26 -6.843 8.243 -2.155 1.00 0.00 C ATOM 387 C SER A 26 -8.142 8.970 -2.520 1.00 0.00 C ATOM 388 O SER A 26 -8.573 9.875 -1.833 1.00 0.00 O ATOM 389 CB SER A 26 -5.748 9.276 -1.860 1.00 0.00 C ATOM 390 OG SER A 26 -5.846 9.696 -0.505 1.00 0.00 O ATOM 0 H SER A 26 -5.587 7.753 -3.796 1.00 0.00 H new ATOM 0 HA SER A 26 -6.999 7.615 -1.278 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.765 8.844 -2.048 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.852 10.133 -2.526 1.00 0.00 H new ATOM 0 HG SER A 26 -6.765 9.980 -0.316 1.00 0.00 H new ATOM 396 N LYS A 27 -8.747 8.602 -3.621 1.00 0.00 N ATOM 397 CA LYS A 27 -9.992 9.297 -4.055 1.00 0.00 C ATOM 398 C LYS A 27 -10.976 9.404 -2.886 1.00 0.00 C ATOM 399 O LYS A 27 -11.479 10.473 -2.604 1.00 0.00 O ATOM 400 CB LYS A 27 -10.643 8.562 -5.238 1.00 0.00 C ATOM 401 CG LYS A 27 -10.515 7.037 -5.082 1.00 0.00 C ATOM 402 CD LYS A 27 -11.787 6.359 -5.595 1.00 0.00 C ATOM 403 CE LYS A 27 -11.916 6.610 -7.099 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.142 5.938 -7.613 1.00 0.00 N ATOM 0 H LYS A 27 -8.432 7.852 -4.236 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.727 10.302 -4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.696 8.836 -5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.171 8.876 -6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.649 6.676 -5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.351 6.781 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.750 5.288 -5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.659 6.751 -5.072 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.966 7.681 -7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.036 6.231 -7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.229 6.109 -8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.077 4.915 -7.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.978 6.320 -7.126 1.00 0.00 H new ATOM 418 N GLY A 28 -11.252 8.330 -2.184 1.00 0.00 N ATOM 419 CA GLY A 28 -12.192 8.443 -1.035 1.00 0.00 C ATOM 420 C GLY A 28 -13.093 7.215 -0.941 1.00 0.00 C ATOM 421 O GLY A 28 -14.029 7.200 -0.172 1.00 0.00 O ATOM 0 H GLY A 28 -10.873 7.399 -2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.628 8.556 -0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.803 9.339 -1.147 1.00 0.00 H new ATOM 425 N THR A 29 -12.845 6.188 -1.708 1.00 0.00 N ATOM 426 CA THR A 29 -13.738 4.995 -1.622 1.00 0.00 C ATOM 427 C THR A 29 -13.009 3.714 -2.042 1.00 0.00 C ATOM 428 O THR A 29 -12.228 3.703 -2.972 1.00 0.00 O ATOM 429 CB THR A 29 -14.933 5.182 -2.558 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.571 4.767 -3.867 1.00 0.00 O ATOM 431 CG2 THR A 29 -15.375 6.648 -2.594 1.00 0.00 C ATOM 0 H THR A 29 -12.079 6.122 -2.378 1.00 0.00 H new ATOM 0 HA THR A 29 -14.060 4.901 -0.585 1.00 0.00 H new ATOM 0 HB THR A 29 -15.763 4.580 -2.188 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.335 4.884 -4.470 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.226 6.755 -3.266 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.662 6.966 -1.592 1.00 0.00 H new ATOM 0 HG23 THR A 29 -14.552 7.268 -2.949 1.00 0.00 H new ATOM 439 N CYS A 30 -13.305 2.619 -1.383 1.00 0.00 N ATOM 440 CA CYS A 30 -12.679 1.318 -1.766 1.00 0.00 C ATOM 441 C CYS A 30 -13.141 0.985 -3.189 1.00 0.00 C ATOM 442 O CYS A 30 -14.313 1.053 -3.499 1.00 0.00 O ATOM 443 CB CYS A 30 -13.126 0.210 -0.797 1.00 0.00 C ATOM 444 SG CYS A 30 -12.584 -1.407 -1.419 1.00 0.00 S ATOM 0 H CYS A 30 -13.953 2.572 -0.597 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.592 1.390 -1.721 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.706 0.389 0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.211 0.224 -0.690 1.00 0.00 H new ATOM 449 N GLN A 31 -12.238 0.661 -4.066 1.00 0.00 N ATOM 450 CA GLN A 31 -12.648 0.365 -5.473 1.00 0.00 C ATOM 451 C GLN A 31 -13.632 -0.808 -5.518 1.00 0.00 C ATOM 452 O GLN A 31 -14.377 -0.957 -6.466 1.00 0.00 O ATOM 453 CB GLN A 31 -11.423 0.034 -6.334 1.00 0.00 C ATOM 454 CG GLN A 31 -10.552 -1.022 -5.649 1.00 0.00 C ATOM 455 CD GLN A 31 -11.266 -2.375 -5.662 1.00 0.00 C ATOM 456 OE1 GLN A 31 -11.152 -3.143 -4.727 1.00 0.00 O ATOM 457 NE2 GLN A 31 -12.002 -2.703 -6.689 1.00 0.00 N ATOM 0 H GLN A 31 -11.238 0.587 -3.877 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.137 1.254 -5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.745 -0.330 -7.310 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.839 0.938 -6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.593 -1.102 -6.161 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.342 -0.722 -4.622 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.098 -2.059 -7.474 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.481 -3.603 -6.706 1.00 0.00 H new ATOM 466 N SER A 32 -13.643 -1.642 -4.514 1.00 0.00 N ATOM 467 CA SER A 32 -14.584 -2.804 -4.522 1.00 0.00 C ATOM 468 C SER A 32 -15.723 -2.560 -3.530 1.00 0.00 C ATOM 469 O SER A 32 -16.856 -2.926 -3.771 1.00 0.00 O ATOM 470 CB SER A 32 -13.829 -4.073 -4.127 1.00 0.00 C ATOM 471 OG SER A 32 -13.010 -4.488 -5.213 1.00 0.00 O ATOM 0 H SER A 32 -13.045 -1.572 -3.691 1.00 0.00 H new ATOM 0 HA SER A 32 -15.000 -2.921 -5.523 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.217 -3.886 -3.245 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.533 -4.863 -3.865 1.00 0.00 H new ATOM 0 HG SER A 32 -12.068 -4.441 -4.949 1.00 0.00 H new ATOM 477 N CYS A 33 -15.432 -1.951 -2.411 1.00 0.00 N ATOM 478 CA CYS A 33 -16.498 -1.690 -1.398 1.00 0.00 C ATOM 479 C CYS A 33 -16.906 -0.219 -1.441 1.00 0.00 C ATOM 480 O CYS A 33 -17.959 0.155 -0.964 1.00 0.00 O ATOM 481 CB CYS A 33 -15.962 -2.020 -0.003 1.00 0.00 C ATOM 482 SG CYS A 33 -15.189 -3.651 -0.030 1.00 0.00 S ATOM 0 H CYS A 33 -14.501 -1.622 -2.154 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.364 -2.313 -1.621 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.238 -1.267 0.308 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.774 -2.002 0.724 1.00 0.00 H new ATOM 487 N GLY A 34 -16.076 0.625 -1.993 1.00 0.00 N ATOM 488 CA GLY A 34 -16.415 2.075 -2.043 1.00 0.00 C ATOM 489 C GLY A 34 -16.948 2.495 -0.672 1.00 0.00 C ATOM 490 O GLY A 34 -18.072 2.933 -0.536 1.00 0.00 O ATOM 0 H GLY A 34 -15.180 0.373 -2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.534 2.662 -2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.162 2.263 -2.814 1.00 0.00 H new ATOM 494 N VAL A 35 -16.156 2.318 0.349 1.00 0.00 N ATOM 495 CA VAL A 35 -16.613 2.649 1.729 1.00 0.00 C ATOM 496 C VAL A 35 -16.211 4.072 2.143 1.00 0.00 C ATOM 497 O VAL A 35 -16.978 4.755 2.790 1.00 0.00 O ATOM 498 CB VAL A 35 -16.007 1.622 2.694 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.744 0.281 2.525 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.518 1.436 2.370 1.00 0.00 C ATOM 0 H VAL A 35 -15.205 1.956 0.286 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.702 2.609 1.759 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.111 1.971 3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.320 -0.456 3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.802 0.417 2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.633 -0.069 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.085 0.707 3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.410 1.081 1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.000 2.389 2.480 1.00 0.00 H new ATOM 510 N THR A 36 -15.036 4.537 1.795 1.00 0.00 N ATOM 511 CA THR A 36 -14.648 5.920 2.209 1.00 0.00 C ATOM 512 C THR A 36 -13.150 6.121 1.992 1.00 0.00 C ATOM 513 O THR A 36 -12.468 5.252 1.496 1.00 0.00 O ATOM 514 CB THR A 36 -14.970 6.137 3.696 1.00 0.00 C ATOM 515 OG1 THR A 36 -14.143 7.173 4.206 1.00 0.00 O ATOM 516 CG2 THR A 36 -14.710 4.848 4.487 1.00 0.00 C ATOM 0 H THR A 36 -14.339 4.028 1.251 1.00 0.00 H new ATOM 0 HA THR A 36 -15.209 6.635 1.608 1.00 0.00 H new ATOM 0 HB THR A 36 -16.020 6.412 3.798 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.346 7.317 5.154 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.942 5.014 5.539 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.341 4.049 4.098 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.662 4.564 4.386 1.00 0.00 H new ATOM 524 N GLY A 37 -12.640 7.268 2.362 1.00 0.00 N ATOM 525 CA GLY A 37 -11.187 7.552 2.182 1.00 0.00 C ATOM 526 C GLY A 37 -10.413 7.177 3.442 1.00 0.00 C ATOM 527 O GLY A 37 -9.602 6.275 3.435 1.00 0.00 O ATOM 0 H GLY A 37 -13.175 8.026 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.803 6.990 1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.041 8.609 1.959 1.00 0.00 H new ATOM 531 N PRO A 38 -10.643 7.871 4.519 1.00 0.00 N ATOM 532 CA PRO A 38 -9.937 7.590 5.783 1.00 0.00 C ATOM 533 C PRO A 38 -9.880 6.096 6.077 1.00 0.00 C ATOM 534 O PRO A 38 -10.875 5.399 6.060 1.00 0.00 O ATOM 535 CB PRO A 38 -10.739 8.326 6.861 1.00 0.00 C ATOM 536 CG PRO A 38 -11.881 9.012 6.160 1.00 0.00 C ATOM 537 CD PRO A 38 -11.580 8.986 4.659 1.00 0.00 C ATOM 0 HA PRO A 38 -8.900 7.923 5.740 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.109 7.628 7.612 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.113 9.051 7.381 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.822 8.504 6.371 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.987 10.038 6.512 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.484 8.827 4.071 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.141 9.925 4.321 1.00 0.00 H new ATOM 545 N ASN A 39 -8.712 5.613 6.349 1.00 0.00 N ATOM 546 CA ASN A 39 -8.536 4.168 6.656 1.00 0.00 C ATOM 547 C ASN A 39 -8.595 3.335 5.371 1.00 0.00 C ATOM 548 O ASN A 39 -8.888 2.157 5.410 1.00 0.00 O ATOM 549 CB ASN A 39 -9.636 3.699 7.621 1.00 0.00 C ATOM 550 CG ASN A 39 -9.053 2.704 8.629 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.226 1.509 8.488 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.367 3.149 9.645 1.00 0.00 N ATOM 0 H ASN A 39 -7.853 6.163 6.374 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.560 4.031 7.122 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.061 4.555 8.145 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.447 3.232 7.063 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.975 2.494 10.322 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.222 4.152 9.763 1.00 0.00 H new ATOM 559 N LEU A 40 -8.302 3.913 4.236 1.00 0.00 N ATOM 560 CA LEU A 40 -8.330 3.102 2.982 1.00 0.00 C ATOM 561 C LEU A 40 -7.000 2.353 2.872 1.00 0.00 C ATOM 562 O LEU A 40 -6.075 2.600 3.619 1.00 0.00 O ATOM 563 CB LEU A 40 -8.506 3.998 1.743 1.00 0.00 C ATOM 564 CG LEU A 40 -9.992 4.256 1.422 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.079 4.943 0.056 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.777 2.936 1.362 1.00 0.00 C ATOM 0 H LEU A 40 -8.049 4.894 4.122 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.172 2.410 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.001 4.949 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.026 3.528 0.885 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.421 4.882 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.124 5.134 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.535 5.887 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.640 4.297 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.822 3.144 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.357 2.298 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.710 2.429 2.324 1.00 0.00 H new ATOM 578 N TRP A 41 -6.900 1.438 1.954 1.00 0.00 N ATOM 579 CA TRP A 41 -5.628 0.665 1.799 1.00 0.00 C ATOM 580 C TRP A 41 -5.530 0.133 0.374 1.00 0.00 C ATOM 581 O TRP A 41 -6.145 -0.855 0.026 1.00 0.00 O ATOM 582 CB TRP A 41 -5.608 -0.518 2.773 1.00 0.00 C ATOM 583 CG TRP A 41 -5.724 -0.025 4.180 1.00 0.00 C ATOM 584 CD1 TRP A 41 -6.868 0.392 4.757 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.685 0.098 5.196 1.00 0.00 C ATOM 586 NE1 TRP A 41 -6.602 0.775 6.058 1.00 0.00 N ATOM 587 CE2 TRP A 41 -5.271 0.609 6.378 1.00 0.00 C ATOM 588 CE3 TRP A 41 -3.307 -0.178 5.208 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -4.520 0.839 7.530 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -2.547 0.052 6.369 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.152 0.560 7.525 1.00 0.00 C ATOM 0 H TRP A 41 -7.642 1.187 1.300 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.786 1.324 2.012 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.430 -1.198 2.549 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.684 -1.083 2.652 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.836 0.422 4.280 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.305 1.136 6.703 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.829 -0.569 4.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.993 1.230 8.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.489 -0.165 6.369 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.561 0.736 8.412 1.00 0.00 H new ATOM 602 N ALA A 42 -4.768 0.783 -0.460 1.00 0.00 N ATOM 603 CA ALA A 42 -4.639 0.316 -1.865 1.00 0.00 C ATOM 604 C ALA A 42 -3.421 -0.585 -2.021 1.00 0.00 C ATOM 605 O ALA A 42 -2.346 -0.291 -1.537 1.00 0.00 O ATOM 606 CB ALA A 42 -4.479 1.526 -2.783 1.00 0.00 C ATOM 0 H ALA A 42 -4.229 1.618 -0.228 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.534 -0.247 -2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.384 1.189 -3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.353 2.171 -2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.586 2.083 -2.499 1.00 0.00 H new ATOM 612 N CYS A 43 -3.580 -1.670 -2.724 1.00 0.00 N ATOM 613 CA CYS A 43 -2.434 -2.584 -2.950 1.00 0.00 C ATOM 614 C CYS A 43 -1.333 -1.792 -3.647 1.00 0.00 C ATOM 615 O CYS A 43 -1.603 -0.838 -4.349 1.00 0.00 O ATOM 616 CB CYS A 43 -2.884 -3.736 -3.844 1.00 0.00 C ATOM 617 SG CYS A 43 -1.692 -5.090 -3.744 1.00 0.00 S ATOM 0 H CYS A 43 -4.459 -1.962 -3.152 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.068 -2.988 -2.006 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.870 -4.084 -3.536 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.974 -3.394 -4.875 1.00 0.00 H new ATOM 622 N LEU A 44 -0.097 -2.154 -3.452 1.00 0.00 N ATOM 623 CA LEU A 44 1.001 -1.388 -4.102 1.00 0.00 C ATOM 624 C LEU A 44 2.001 -2.337 -4.758 1.00 0.00 C ATOM 625 O LEU A 44 3.194 -2.170 -4.625 1.00 0.00 O ATOM 626 CB LEU A 44 1.708 -0.538 -3.043 1.00 0.00 C ATOM 627 CG LEU A 44 2.601 0.511 -3.725 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.737 1.630 -4.321 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.565 1.111 -2.698 1.00 0.00 C ATOM 0 H LEU A 44 0.199 -2.941 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 44 0.581 -0.745 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.971 -0.044 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.310 -1.175 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 44 3.166 0.029 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.379 2.368 -4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.053 1.208 -5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.164 2.109 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.197 1.854 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.996 1.585 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.189 0.321 -2.280 1.00 0.00 H new ATOM 641 N GLN A 45 1.538 -3.327 -5.477 1.00 0.00 N ATOM 642 CA GLN A 45 2.499 -4.252 -6.139 1.00 0.00 C ATOM 643 C GLN A 45 2.798 -3.743 -7.551 1.00 0.00 C ATOM 644 O GLN A 45 1.970 -3.128 -8.194 1.00 0.00 O ATOM 645 CB GLN A 45 1.927 -5.669 -6.220 1.00 0.00 C ATOM 646 CG GLN A 45 1.140 -6.003 -4.944 1.00 0.00 C ATOM 647 CD GLN A 45 1.972 -6.930 -4.053 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.079 -6.710 -2.862 1.00 0.00 O ATOM 649 NE2 GLN A 45 2.569 -7.964 -4.581 1.00 0.00 N ATOM 0 H GLN A 45 0.551 -3.531 -5.632 1.00 0.00 H new ATOM 0 HA GLN A 45 3.415 -4.283 -5.549 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.276 -5.756 -7.090 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.736 -6.387 -6.354 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.896 -5.087 -4.405 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.196 -6.482 -5.202 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.480 -8.149 -5.580 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.125 -8.587 -3.994 1.00 0.00 H new ATOM 658 N VAL A 46 3.986 -3.985 -8.019 1.00 0.00 N ATOM 659 CA VAL A 46 4.387 -3.522 -9.382 1.00 0.00 C ATOM 660 C VAL A 46 3.254 -3.722 -10.396 1.00 0.00 C ATOM 661 O VAL A 46 3.290 -3.168 -11.477 1.00 0.00 O ATOM 662 CB VAL A 46 5.614 -4.316 -9.843 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.209 -5.764 -10.131 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.181 -3.683 -11.116 1.00 0.00 C ATOM 0 H VAL A 46 4.711 -4.491 -7.511 1.00 0.00 H new ATOM 0 HA VAL A 46 4.616 -2.458 -9.327 1.00 0.00 H new ATOM 0 HB VAL A 46 6.371 -4.301 -9.059 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.082 -6.328 -10.459 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.805 -6.216 -9.225 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.451 -5.781 -10.914 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.054 -4.247 -11.445 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.423 -3.698 -11.899 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.471 -2.652 -10.912 1.00 0.00 H new ATOM 674 N ALA A 47 2.258 -4.511 -10.087 1.00 0.00 N ATOM 675 CA ALA A 47 1.164 -4.721 -11.084 1.00 0.00 C ATOM 676 C ALA A 47 -0.175 -4.984 -10.390 1.00 0.00 C ATOM 677 O ALA A 47 -0.862 -5.936 -10.704 1.00 0.00 O ATOM 678 CB ALA A 47 1.516 -5.920 -11.967 1.00 0.00 C ATOM 0 H ALA A 47 2.154 -5.011 -9.204 1.00 0.00 H new ATOM 0 HA ALA A 47 1.067 -3.818 -11.686 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.722 -6.080 -12.697 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.454 -5.726 -12.487 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.623 -6.810 -11.347 1.00 0.00 H new ATOM 684 N CYS A 48 -0.567 -4.150 -9.465 1.00 0.00 N ATOM 685 CA CYS A 48 -1.876 -4.367 -8.784 1.00 0.00 C ATOM 686 C CYS A 48 -2.511 -3.023 -8.423 1.00 0.00 C ATOM 687 O CYS A 48 -2.420 -2.570 -7.299 1.00 0.00 O ATOM 688 CB CYS A 48 -1.666 -5.176 -7.509 1.00 0.00 C ATOM 689 SG CYS A 48 -3.252 -5.864 -6.979 1.00 0.00 S ATOM 0 H CYS A 48 -0.042 -3.333 -9.153 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.536 -4.910 -9.461 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.948 -5.977 -7.686 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.250 -4.543 -6.726 1.00 0.00 H new ATOM 694 N PRO A 49 -3.162 -2.394 -9.363 1.00 0.00 N ATOM 695 CA PRO A 49 -3.834 -1.091 -9.136 1.00 0.00 C ATOM 696 C PRO A 49 -5.261 -1.269 -8.604 1.00 0.00 C ATOM 697 O PRO A 49 -6.178 -1.556 -9.346 1.00 0.00 O ATOM 698 CB PRO A 49 -3.851 -0.469 -10.532 1.00 0.00 C ATOM 699 CG PRO A 49 -3.915 -1.630 -11.481 1.00 0.00 C ATOM 700 CD PRO A 49 -3.326 -2.850 -10.751 1.00 0.00 C ATOM 0 HA PRO A 49 -3.326 -0.481 -8.389 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.710 0.190 -10.659 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.959 0.133 -10.706 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.944 -1.823 -11.783 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.351 -1.416 -12.389 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.992 -3.710 -10.812 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.374 -3.153 -11.186 1.00 0.00 H new ATOM 708 N TYR A 50 -5.450 -1.093 -7.324 1.00 0.00 N ATOM 709 CA TYR A 50 -6.808 -1.244 -6.729 1.00 0.00 C ATOM 710 C TYR A 50 -6.797 -0.640 -5.325 1.00 0.00 C ATOM 711 O TYR A 50 -5.899 -0.893 -4.545 1.00 0.00 O ATOM 712 CB TYR A 50 -7.170 -2.730 -6.634 1.00 0.00 C ATOM 713 CG TYR A 50 -7.467 -3.275 -8.011 1.00 0.00 C ATOM 714 CD1 TYR A 50 -6.519 -4.069 -8.668 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.689 -2.987 -8.630 1.00 0.00 C ATOM 716 CE1 TYR A 50 -6.793 -4.575 -9.945 1.00 0.00 C ATOM 717 CE2 TYR A 50 -8.963 -3.493 -9.907 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.015 -4.287 -10.564 1.00 0.00 C ATOM 719 OH TYR A 50 -8.286 -4.785 -11.822 1.00 0.00 O ATOM 0 H TYR A 50 -4.715 -0.849 -6.660 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.542 -0.735 -7.354 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.348 -3.286 -6.183 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.037 -2.862 -5.986 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.576 -4.291 -8.190 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.420 -2.375 -8.123 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.062 -5.187 -10.452 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.906 -3.271 -10.385 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.177 -4.492 -12.105 1.00 0.00 H new ATOM 729 N VAL A 51 -7.777 0.157 -4.990 1.00 0.00 N ATOM 730 CA VAL A 51 -7.802 0.770 -3.631 1.00 0.00 C ATOM 731 C VAL A 51 -8.800 0.022 -2.745 1.00 0.00 C ATOM 732 O VAL A 51 -9.985 0.283 -2.762 1.00 0.00 O ATOM 733 CB VAL A 51 -8.179 2.250 -3.743 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.295 2.429 -4.774 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.645 2.772 -2.384 1.00 0.00 C ATOM 0 H VAL A 51 -8.558 0.409 -5.596 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.814 0.696 -3.177 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.303 2.814 -4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.557 3.485 -4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.954 2.072 -5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.171 1.859 -4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.912 3.825 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.515 2.203 -2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.841 2.660 -1.656 1.00 0.00 H new ATOM 745 N GLY A 52 -8.323 -0.919 -1.978 1.00 0.00 N ATOM 746 CA GLY A 52 -9.230 -1.709 -1.099 1.00 0.00 C ATOM 747 C GLY A 52 -9.518 -0.959 0.206 1.00 0.00 C ATOM 748 O GLY A 52 -9.117 0.173 0.391 1.00 0.00 O ATOM 0 H GLY A 52 -7.338 -1.176 -1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.165 -1.910 -1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.776 -2.674 -0.876 1.00 0.00 H new ATOM 752 N CYS A 53 -10.224 -1.593 1.109 1.00 0.00 N ATOM 753 CA CYS A 53 -10.571 -0.947 2.410 1.00 0.00 C ATOM 754 C CYS A 53 -9.652 -1.424 3.516 1.00 0.00 C ATOM 755 O CYS A 53 -8.899 -2.370 3.387 1.00 0.00 O ATOM 756 CB CYS A 53 -11.972 -1.375 2.872 1.00 0.00 C ATOM 757 SG CYS A 53 -12.365 -2.996 2.174 1.00 0.00 S ATOM 0 H CYS A 53 -10.579 -2.543 0.997 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.494 0.127 2.243 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.011 -1.416 3.961 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.712 -0.641 2.554 1.00 0.00 H new ATOM 762 N GLY A 54 -9.818 -0.806 4.637 1.00 0.00 N ATOM 763 CA GLY A 54 -9.096 -1.207 5.861 1.00 0.00 C ATOM 764 C GLY A 54 -10.194 -1.667 6.800 1.00 0.00 C ATOM 765 O GLY A 54 -11.347 -1.376 6.559 1.00 0.00 O ATOM 0 H GLY A 54 -10.446 -0.012 4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.382 -2.006 5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.533 -0.375 6.283 1.00 0.00 H new ATOM 769 N GLU A 55 -9.891 -2.377 7.841 1.00 0.00 N ATOM 770 CA GLU A 55 -10.983 -2.826 8.760 1.00 0.00 C ATOM 771 C GLU A 55 -12.158 -1.869 8.659 1.00 0.00 C ATOM 772 O GLU A 55 -13.303 -2.272 8.682 1.00 0.00 O ATOM 773 CB GLU A 55 -10.480 -2.829 10.191 1.00 0.00 C ATOM 774 CG GLU A 55 -10.230 -1.392 10.656 1.00 0.00 C ATOM 775 CD GLU A 55 -9.353 -1.405 11.911 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.279 -1.980 11.853 1.00 0.00 O ATOM 777 OE2 GLU A 55 -9.771 -0.839 12.907 1.00 0.00 O ATOM 0 H GLU A 55 -8.949 -2.668 8.101 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.295 -3.831 8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.210 -3.310 10.842 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.560 -3.409 10.261 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.742 -0.822 9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.178 -0.897 10.867 1.00 0.00 H new ATOM 784 N SER A 56 -11.869 -0.604 8.522 1.00 0.00 N ATOM 785 CA SER A 56 -12.954 0.407 8.379 1.00 0.00 C ATOM 786 C SER A 56 -14.163 -0.287 7.757 1.00 0.00 C ATOM 787 O SER A 56 -15.280 -0.153 8.217 1.00 0.00 O ATOM 788 CB SER A 56 -12.464 1.533 7.466 1.00 0.00 C ATOM 789 OG SER A 56 -12.369 2.737 8.216 1.00 0.00 O ATOM 0 H SER A 56 -10.922 -0.225 8.503 1.00 0.00 H new ATOM 0 HA SER A 56 -13.227 0.830 9.346 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.493 1.277 7.043 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.151 1.665 6.630 1.00 0.00 H new ATOM 0 HG SER A 56 -12.530 3.503 7.627 1.00 0.00 H new ATOM 795 N PHE A 57 -13.928 -1.068 6.733 1.00 0.00 N ATOM 796 CA PHE A 57 -15.045 -1.825 6.096 1.00 0.00 C ATOM 797 C PHE A 57 -14.844 -3.316 6.347 1.00 0.00 C ATOM 798 O PHE A 57 -15.224 -3.848 7.371 1.00 0.00 O ATOM 799 CB PHE A 57 -15.071 -1.595 4.590 1.00 0.00 C ATOM 800 CG PHE A 57 -16.174 -2.442 3.986 1.00 0.00 C ATOM 801 CD1 PHE A 57 -17.506 -2.239 4.373 1.00 0.00 C ATOM 802 CD2 PHE A 57 -15.865 -3.434 3.047 1.00 0.00 C ATOM 803 CE1 PHE A 57 -18.524 -3.026 3.821 1.00 0.00 C ATOM 804 CE2 PHE A 57 -16.884 -4.220 2.494 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.213 -4.015 2.882 1.00 0.00 C ATOM 0 H PHE A 57 -13.011 -1.213 6.312 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.984 -1.478 6.528 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.242 -0.541 4.372 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.109 -1.859 4.151 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -17.747 -1.475 5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.839 -3.593 2.749 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.550 -2.869 4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.644 -4.984 1.769 1.00 0.00 H new ATOM 0 HZ PHE A 57 -18.999 -4.621 2.456 1.00 0.00 H new ATOM 815 N ALA A 58 -14.239 -3.983 5.407 1.00 0.00 N ATOM 816 CA ALA A 58 -13.982 -5.447 5.549 1.00 0.00 C ATOM 817 C ALA A 58 -12.475 -5.689 5.483 1.00 0.00 C ATOM 818 O ALA A 58 -12.011 -6.810 5.439 1.00 0.00 O ATOM 819 CB ALA A 58 -14.670 -6.200 4.408 1.00 0.00 C ATOM 0 H ALA A 58 -13.906 -3.574 4.534 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.375 -5.803 6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.482 -7.269 4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.744 -6.015 4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.275 -5.853 3.453 1.00 0.00 H new ATOM 825 N ASP A 59 -11.713 -4.632 5.477 1.00 0.00 N ATOM 826 CA ASP A 59 -10.231 -4.764 5.416 1.00 0.00 C ATOM 827 C ASP A 59 -9.820 -5.603 4.203 1.00 0.00 C ATOM 828 O ASP A 59 -9.215 -6.647 4.344 1.00 0.00 O ATOM 829 CB ASP A 59 -9.709 -5.426 6.701 1.00 0.00 C ATOM 830 CG ASP A 59 -8.246 -5.833 6.522 1.00 0.00 C ATOM 831 OD1 ASP A 59 -7.642 -5.380 5.567 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.757 -6.588 7.343 1.00 0.00 O ATOM 0 H ASP A 59 -12.057 -3.672 5.512 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.798 -3.768 5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.803 -4.736 7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.312 -6.302 6.940 1.00 0.00 H new ATOM 837 N HIS A 60 -10.105 -5.154 3.009 1.00 0.00 N ATOM 838 CA HIS A 60 -9.666 -5.946 1.828 1.00 0.00 C ATOM 839 C HIS A 60 -8.169 -6.174 1.994 1.00 0.00 C ATOM 840 O HIS A 60 -7.617 -7.136 1.526 1.00 0.00 O ATOM 841 CB HIS A 60 -9.924 -5.167 0.531 1.00 0.00 C ATOM 842 CG HIS A 60 -11.100 -5.752 -0.208 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.156 -4.973 -0.686 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.389 -7.044 -0.576 1.00 0.00 C ATOM 845 CE1 HIS A 60 -13.013 -5.809 -1.306 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.592 -7.072 -1.266 1.00 0.00 N ATOM 0 H HIS A 60 -10.611 -4.293 2.804 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.215 -6.886 1.767 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.116 -4.119 0.761 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.037 -5.198 -0.102 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.774 -7.905 -0.361 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.931 -5.492 -1.779 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -13.057 -7.889 -1.661 1.00 0.00 H new ATOM 854 N SER A 61 -7.516 -5.281 2.682 1.00 0.00 N ATOM 855 CA SER A 61 -6.051 -5.433 2.909 1.00 0.00 C ATOM 856 C SER A 61 -5.744 -6.868 3.339 1.00 0.00 C ATOM 857 O SER A 61 -4.675 -7.385 3.082 1.00 0.00 O ATOM 858 CB SER A 61 -5.615 -4.454 4.005 1.00 0.00 C ATOM 859 OG SER A 61 -4.327 -3.941 3.690 1.00 0.00 O ATOM 0 H SER A 61 -7.934 -4.449 3.099 1.00 0.00 H new ATOM 0 HA SER A 61 -5.508 -5.217 1.989 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.334 -3.639 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.592 -4.958 4.971 1.00 0.00 H new ATOM 0 HG SER A 61 -4.045 -3.313 4.388 1.00 0.00 H new ATOM 865 N THR A 62 -6.669 -7.521 3.993 1.00 0.00 N ATOM 866 CA THR A 62 -6.413 -8.916 4.431 1.00 0.00 C ATOM 867 C THR A 62 -6.844 -9.896 3.345 1.00 0.00 C ATOM 868 O THR A 62 -6.034 -10.591 2.768 1.00 0.00 O ATOM 869 CB THR A 62 -7.204 -9.216 5.698 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.413 -8.469 5.691 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.378 -8.848 6.933 1.00 0.00 C ATOM 0 H THR A 62 -7.585 -7.147 4.240 1.00 0.00 H new ATOM 0 HA THR A 62 -5.346 -9.026 4.623 1.00 0.00 H new ATOM 0 HB THR A 62 -7.434 -10.281 5.731 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.635 -8.215 4.771 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.952 -9.066 7.833 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.456 -9.430 6.941 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.136 -7.786 6.906 1.00 0.00 H new ATOM 879 N ILE A 63 -8.122 -9.972 3.073 1.00 0.00 N ATOM 880 CA ILE A 63 -8.591 -10.931 2.037 1.00 0.00 C ATOM 881 C ILE A 63 -7.862 -10.639 0.729 1.00 0.00 C ATOM 882 O ILE A 63 -7.634 -11.515 -0.078 1.00 0.00 O ATOM 883 CB ILE A 63 -10.110 -10.830 1.815 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.707 -9.781 2.753 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.766 -12.185 2.100 1.00 0.00 C ATOM 886 CD1 ILE A 63 -12.101 -9.385 2.263 1.00 0.00 C ATOM 0 H ILE A 63 -8.851 -9.417 3.520 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.373 -11.943 2.379 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.295 -10.541 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.766 -10.177 3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.061 -8.904 2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.842 -12.109 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.353 -12.938 1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.571 -12.474 3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.524 -8.637 2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -12.029 -8.971 1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.745 -10.264 2.248 1.00 0.00 H new ATOM 898 N HIS A 64 -7.495 -9.408 0.520 1.00 0.00 N ATOM 899 CA HIS A 64 -6.775 -9.041 -0.734 1.00 0.00 C ATOM 900 C HIS A 64 -5.344 -9.566 -0.672 1.00 0.00 C ATOM 901 O HIS A 64 -4.846 -10.140 -1.619 1.00 0.00 O ATOM 902 CB HIS A 64 -6.740 -7.523 -0.907 1.00 0.00 C ATOM 903 CG HIS A 64 -6.047 -7.208 -2.201 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.725 -6.732 -3.312 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.736 -7.326 -2.582 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.825 -6.585 -4.302 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.598 -6.935 -3.909 1.00 0.00 N ATOM 0 H HIS A 64 -7.662 -8.635 1.165 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.301 -9.485 -1.579 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.752 -7.119 -0.911 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.214 -7.058 -0.073 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.723 -6.530 -3.369 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.932 -7.670 -1.948 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.066 -6.228 -5.292 1.00 0.00 H new ATOM 915 N ALA A 65 -4.678 -9.401 0.440 1.00 0.00 N ATOM 916 CA ALA A 65 -3.288 -9.930 0.537 1.00 0.00 C ATOM 917 C ALA A 65 -3.409 -11.436 0.681 1.00 0.00 C ATOM 918 O ALA A 65 -2.501 -12.194 0.432 1.00 0.00 O ATOM 919 CB ALA A 65 -2.589 -9.343 1.766 1.00 0.00 C ATOM 0 H ALA A 65 -5.030 -8.930 1.273 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.701 -9.662 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.574 -9.735 1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.554 -8.257 1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.141 -9.619 2.665 1.00 0.00 H new ATOM 925 N GLN A 66 -4.561 -11.842 1.102 1.00 0.00 N ATOM 926 CA GLN A 66 -4.875 -13.274 1.312 1.00 0.00 C ATOM 927 C GLN A 66 -5.323 -13.917 -0.005 1.00 0.00 C ATOM 928 O GLN A 66 -5.137 -15.097 -0.229 1.00 0.00 O ATOM 929 CB GLN A 66 -6.031 -13.290 2.302 1.00 0.00 C ATOM 930 CG GLN A 66 -6.665 -14.674 2.421 1.00 0.00 C ATOM 931 CD GLN A 66 -5.800 -15.562 3.319 1.00 0.00 C ATOM 932 OE1 GLN A 66 -5.359 -15.140 4.369 1.00 0.00 O ATOM 933 NE2 GLN A 66 -5.538 -16.785 2.945 1.00 0.00 N ATOM 0 H GLN A 66 -5.334 -11.213 1.319 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.009 -13.828 1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.674 -12.970 3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.787 -12.571 1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.670 -14.590 2.835 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.764 -15.125 1.434 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.909 -17.139 2.063 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.963 -17.386 3.535 1.00 0.00 H new ATOM 942 N ALA A 67 -5.943 -13.151 -0.862 1.00 0.00 N ATOM 943 CA ALA A 67 -6.445 -13.711 -2.147 1.00 0.00 C ATOM 944 C ALA A 67 -5.357 -13.633 -3.216 1.00 0.00 C ATOM 945 O ALA A 67 -5.184 -14.536 -4.010 1.00 0.00 O ATOM 946 CB ALA A 67 -7.670 -12.911 -2.605 1.00 0.00 C ATOM 0 H ALA A 67 -6.124 -12.156 -0.725 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.721 -14.755 -1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.040 -13.319 -3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.452 -12.978 -1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.391 -11.867 -2.747 1.00 0.00 H new ATOM 952 N LYS A 68 -4.635 -12.548 -3.250 1.00 0.00 N ATOM 953 CA LYS A 68 -3.565 -12.387 -4.278 1.00 0.00 C ATOM 954 C LYS A 68 -2.197 -12.543 -3.625 1.00 0.00 C ATOM 955 O LYS A 68 -1.170 -12.394 -4.257 1.00 0.00 O ATOM 956 CB LYS A 68 -3.678 -10.997 -4.893 1.00 0.00 C ATOM 957 CG LYS A 68 -5.094 -10.800 -5.455 1.00 0.00 C ATOM 958 CD LYS A 68 -5.960 -10.063 -4.432 1.00 0.00 C ATOM 959 CE LYS A 68 -7.315 -9.727 -5.055 1.00 0.00 C ATOM 960 NZ LYS A 68 -8.030 -10.988 -5.405 1.00 0.00 N ATOM 0 H LYS A 68 -4.739 -11.762 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.681 -13.147 -5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.464 -10.237 -4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.940 -10.877 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.050 -10.232 -6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.539 -11.766 -5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.099 -10.682 -3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.461 -9.150 -4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.912 -9.140 -4.357 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.175 -9.116 -5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.097 -11.073 -6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.506 -11.801 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.986 -10.970 -4.996 1.00 0.00 H new ATOM 974 N LYS A 69 -2.180 -12.847 -2.363 1.00 0.00 N ATOM 975 CA LYS A 69 -0.891 -13.026 -1.642 1.00 0.00 C ATOM 976 C LYS A 69 -0.054 -11.742 -1.731 1.00 0.00 C ATOM 977 O LYS A 69 1.125 -11.745 -1.436 1.00 0.00 O ATOM 978 CB LYS A 69 -0.115 -14.202 -2.256 1.00 0.00 C ATOM 979 CG LYS A 69 -0.466 -15.503 -1.520 1.00 0.00 C ATOM 980 CD LYS A 69 -1.992 -15.648 -1.405 1.00 0.00 C ATOM 981 CE LYS A 69 -2.367 -17.132 -1.367 1.00 0.00 C ATOM 982 NZ LYS A 69 -3.828 -17.268 -1.104 1.00 0.00 N ATOM 0 H LYS A 69 -3.014 -12.981 -1.791 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.096 -13.239 -0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.358 -14.296 -3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.957 -14.015 -2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.051 -16.357 -2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.017 -15.501 -0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.348 -15.150 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.478 -15.161 -2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.111 -17.607 -2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.798 -17.642 -0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.979 -17.929 -0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.224 -16.339 -0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.302 -17.631 -1.956 1.00 0.00 H new ATOM 996 N HIS A 70 -0.652 -10.637 -2.098 1.00 0.00 N ATOM 997 CA HIS A 70 0.126 -9.362 -2.155 1.00 0.00 C ATOM 998 C HIS A 70 0.378 -8.920 -0.713 1.00 0.00 C ATOM 999 O HIS A 70 -0.534 -8.854 0.088 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.675 -8.299 -2.914 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.759 -8.695 -4.363 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.852 -8.379 -5.155 1.00 0.00 N ATOM 1003 CD2 HIS A 70 0.108 -9.385 -5.179 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.617 -8.872 -6.385 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.440 -9.492 -6.450 1.00 0.00 N ATOM 0 H HIS A 70 -1.635 -10.562 -2.358 1.00 0.00 H new ATOM 0 HA HIS A 70 1.072 -9.502 -2.678 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.675 -8.206 -2.490 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.196 -7.325 -2.817 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.066 -9.782 -4.877 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.299 -8.777 -7.217 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.028 -9.949 -7.263 1.00 0.00 H new ATOM 1013 N ASN A 71 1.607 -8.660 -0.353 1.00 0.00 N ATOM 1014 CA ASN A 71 1.896 -8.282 1.059 1.00 0.00 C ATOM 1015 C ASN A 71 1.915 -6.762 1.239 1.00 0.00 C ATOM 1016 O ASN A 71 1.386 -6.238 2.198 1.00 0.00 O ATOM 1017 CB ASN A 71 3.265 -8.851 1.451 1.00 0.00 C ATOM 1018 CG ASN A 71 3.655 -9.974 0.488 1.00 0.00 C ATOM 1019 OD1 ASN A 71 3.228 -11.101 0.644 1.00 0.00 O ATOM 1020 ND2 ASN A 71 4.455 -9.713 -0.510 1.00 0.00 N ATOM 0 H ASN A 71 2.417 -8.693 -0.972 1.00 0.00 H new ATOM 0 HA ASN A 71 1.109 -8.689 1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.017 -8.062 1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.232 -9.230 2.472 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.721 -10.455 -1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.814 -8.767 -0.642 1.00 0.00 H new ATOM 1027 N LEU A 72 2.560 -6.055 0.356 1.00 0.00 N ATOM 1028 CA LEU A 72 2.663 -4.577 0.519 1.00 0.00 C ATOM 1029 C LEU A 72 1.437 -3.836 -0.009 1.00 0.00 C ATOM 1030 O LEU A 72 0.934 -4.096 -1.084 1.00 0.00 O ATOM 1031 CB LEU A 72 3.894 -4.085 -0.230 1.00 0.00 C ATOM 1032 CG LEU A 72 5.152 -4.624 0.449 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.334 -4.475 -0.503 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.433 -3.839 1.736 1.00 0.00 C ATOM 0 H LEU A 72 3.020 -6.435 -0.471 1.00 0.00 H new ATOM 0 HA LEU A 72 2.735 -4.371 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.858 -4.416 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.913 -2.995 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 72 5.005 -5.675 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.236 -4.858 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.139 -5.038 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.472 -3.422 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.332 -4.231 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.580 -2.786 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.588 -3.941 2.416 1.00 0.00 H new ATOM 1046 N THR A 73 0.997 -2.873 0.751 1.00 0.00 N ATOM 1047 CA THR A 73 -0.158 -2.025 0.351 1.00 0.00 C ATOM 1048 C THR A 73 0.057 -0.659 1.004 1.00 0.00 C ATOM 1049 O THR A 73 0.805 -0.551 1.952 1.00 0.00 O ATOM 1050 CB THR A 73 -1.467 -2.645 0.845 1.00 0.00 C ATOM 1051 OG1 THR A 73 -2.551 -1.790 0.511 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.409 -2.828 2.364 1.00 0.00 C ATOM 0 H THR A 73 1.401 -2.633 1.656 1.00 0.00 H new ATOM 0 HA THR A 73 -0.224 -1.938 -0.734 1.00 0.00 H new ATOM 0 HB THR A 73 -1.609 -3.616 0.370 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.271 -1.166 -0.191 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.342 -3.270 2.713 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.578 -3.486 2.620 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.265 -1.859 2.842 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.557 0.387 0.518 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.317 1.727 1.143 1.00 0.00 C ATOM 1062 C VAL A 74 -1.626 2.340 1.636 1.00 0.00 C ATOM 1063 O VAL A 74 -2.623 2.369 0.944 1.00 0.00 O ATOM 1064 CB VAL A 74 0.342 2.653 0.117 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.408 2.564 -1.213 1.00 0.00 C ATOM 1066 CG2 VAL A 74 0.306 4.100 0.620 1.00 0.00 C ATOM 0 H VAL A 74 -1.204 0.377 -0.271 1.00 0.00 H new ATOM 0 HA VAL A 74 0.342 1.602 2.002 1.00 0.00 H new ATOM 0 HB VAL A 74 1.378 2.344 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.063 3.224 -1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.377 1.538 -1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.445 2.866 -1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.777 4.753 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.729 4.408 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.845 4.170 1.565 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.609 2.830 2.849 1.00 0.00 N ATOM 1077 CA ASN A 75 -2.827 3.450 3.435 1.00 0.00 C ATOM 1078 C ASN A 75 -2.879 4.929 3.063 1.00 0.00 C ATOM 1079 O ASN A 75 -2.105 5.731 3.549 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.780 3.317 4.957 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.144 3.681 5.543 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -4.979 4.244 4.864 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.407 3.382 6.786 1.00 0.00 N ATOM 0 H ASN A 75 -0.793 2.825 3.462 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.712 2.945 3.047 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.513 2.298 5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.010 3.971 5.366 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.314 3.621 7.187 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.706 2.909 7.356 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.789 5.296 2.212 1.00 0.00 N ATOM 1091 CA LEU A 76 -3.902 6.721 1.813 1.00 0.00 C ATOM 1092 C LEU A 76 -4.489 7.505 2.982 1.00 0.00 C ATOM 1093 O LEU A 76 -4.823 8.667 2.870 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.808 6.815 0.586 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.408 5.714 -0.421 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.629 4.866 -0.784 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.824 6.337 -1.696 1.00 0.00 C ATOM 0 H LEU A 76 -4.463 4.668 1.773 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.926 7.137 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.851 6.696 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.716 7.798 0.125 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.651 5.082 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.337 4.093 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.029 4.399 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.393 5.501 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.548 5.546 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.569 6.985 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.940 6.923 -1.443 1.00 0.00 H new ATOM 1109 N THR A 77 -4.598 6.864 4.115 1.00 0.00 N ATOM 1110 CA THR A 77 -5.140 7.543 5.320 1.00 0.00 C ATOM 1111 C THR A 77 -3.982 8.178 6.083 1.00 0.00 C ATOM 1112 O THR A 77 -4.085 9.274 6.598 1.00 0.00 O ATOM 1113 CB THR A 77 -5.832 6.513 6.212 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.795 5.811 5.443 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.508 7.226 7.386 1.00 0.00 C ATOM 0 H THR A 77 -4.331 5.890 4.255 1.00 0.00 H new ATOM 0 HA THR A 77 -5.859 8.308 5.028 1.00 0.00 H new ATOM 0 HB THR A 77 -5.101 5.807 6.605 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.339 5.226 4.803 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.002 6.491 8.022 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.758 7.763 7.966 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.247 7.932 7.006 1.00 0.00 H new ATOM 1123 N THR A 78 -2.878 7.484 6.160 1.00 0.00 N ATOM 1124 CA THR A 78 -1.693 8.025 6.895 1.00 0.00 C ATOM 1125 C THR A 78 -0.487 8.156 5.955 1.00 0.00 C ATOM 1126 O THR A 78 0.465 8.848 6.257 1.00 0.00 O ATOM 1127 CB THR A 78 -1.336 7.078 8.038 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.513 6.741 8.759 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.336 7.757 8.975 1.00 0.00 C ATOM 0 H THR A 78 -2.744 6.562 5.745 1.00 0.00 H new ATOM 0 HA THR A 78 -1.943 9.011 7.286 1.00 0.00 H new ATOM 0 HB THR A 78 -0.888 6.171 7.631 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.361 5.917 9.266 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.083 7.079 9.790 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.567 8.011 8.421 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.779 8.665 9.383 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.522 7.513 4.821 1.00 0.00 N ATOM 1138 CA PHE A 79 0.618 7.614 3.856 1.00 0.00 C ATOM 1139 C PHE A 79 1.784 6.713 4.286 1.00 0.00 C ATOM 1140 O PHE A 79 2.914 7.146 4.382 1.00 0.00 O ATOM 1141 CB PHE A 79 1.098 9.069 3.765 1.00 0.00 C ATOM 1142 CG PHE A 79 1.669 9.331 2.390 1.00 0.00 C ATOM 1143 CD1 PHE A 79 3.048 9.510 2.225 1.00 0.00 C ATOM 1144 CD2 PHE A 79 0.818 9.392 1.280 1.00 0.00 C ATOM 1145 CE1 PHE A 79 3.575 9.751 0.951 1.00 0.00 C ATOM 1146 CE2 PHE A 79 1.345 9.633 0.006 1.00 0.00 C ATOM 1147 CZ PHE A 79 2.724 9.813 -0.158 1.00 0.00 C ATOM 0 H PHE A 79 -1.293 6.918 4.516 1.00 0.00 H new ATOM 0 HA PHE A 79 0.267 7.283 2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.269 9.749 3.961 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.854 9.261 4.526 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.705 9.462 3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.245 9.253 1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.639 9.889 0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.688 9.680 -0.850 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.131 10.000 -1.141 1.00 0.00 H new ATOM 1157 N ARG A 80 1.520 5.456 4.502 1.00 0.00 N ATOM 1158 CA ARG A 80 2.598 4.502 4.877 1.00 0.00 C ATOM 1159 C ARG A 80 2.271 3.175 4.207 1.00 0.00 C ATOM 1160 O ARG A 80 1.276 3.056 3.523 1.00 0.00 O ATOM 1161 CB ARG A 80 2.675 4.314 6.400 1.00 0.00 C ATOM 1162 CG ARG A 80 1.370 4.767 7.068 1.00 0.00 C ATOM 1163 CD ARG A 80 1.202 4.025 8.400 1.00 0.00 C ATOM 1164 NE ARG A 80 0.281 4.787 9.292 1.00 0.00 N ATOM 1165 CZ ARG A 80 0.346 4.631 10.587 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -0.465 5.295 11.365 1.00 0.00 N ATOM 1167 NH2 ARG A 80 1.221 3.810 11.104 1.00 0.00 N ATOM 0 H ARG A 80 0.590 5.044 4.434 1.00 0.00 H new ATOM 0 HA ARG A 80 3.565 4.886 4.552 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.864 3.266 6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.512 4.886 6.800 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.389 5.844 7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.522 4.562 6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.806 3.025 8.222 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.171 3.902 8.883 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.400 5.431 8.890 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.149 5.935 10.961 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.415 5.174 12.377 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.854 3.290 10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.271 3.689 12.116 1.00 0.00 H new ATOM 1181 N LEU A 81 3.083 2.180 4.386 1.00 0.00 N ATOM 1182 CA LEU A 81 2.796 0.872 3.739 1.00 0.00 C ATOM 1183 C LEU A 81 2.509 -0.179 4.799 1.00 0.00 C ATOM 1184 O LEU A 81 2.622 0.060 5.985 1.00 0.00 O ATOM 1185 CB LEU A 81 4.006 0.443 2.903 1.00 0.00 C ATOM 1186 CG LEU A 81 3.891 1.008 1.479 1.00 0.00 C ATOM 1187 CD1 LEU A 81 5.269 1.475 0.998 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.355 -0.069 0.520 1.00 0.00 C ATOM 0 H LEU A 81 3.932 2.212 4.950 1.00 0.00 H new ATOM 0 HA LEU A 81 1.923 0.973 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.925 0.798 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.066 -0.645 2.867 1.00 0.00 H new ATOM 0 HG LEU A 81 3.200 1.851 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.185 1.875 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.644 2.251 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.959 0.632 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.278 0.345 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.036 -0.920 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.370 -0.396 0.854 1.00 0.00 H new ATOM 1200 N TRP A 82 2.141 -1.344 4.366 1.00 0.00 N ATOM 1201 CA TRP A 82 1.846 -2.447 5.312 1.00 0.00 C ATOM 1202 C TRP A 82 2.154 -3.760 4.612 1.00 0.00 C ATOM 1203 O TRP A 82 1.486 -4.145 3.671 1.00 0.00 O ATOM 1204 CB TRP A 82 0.372 -2.410 5.714 1.00 0.00 C ATOM 1205 CG TRP A 82 0.049 -3.617 6.536 1.00 0.00 C ATOM 1206 CD1 TRP A 82 -0.190 -4.854 6.042 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -0.073 -3.725 7.983 1.00 0.00 C ATOM 1208 NE1 TRP A 82 -0.450 -5.713 7.093 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.390 -5.065 8.311 1.00 0.00 C ATOM 1210 CE3 TRP A 82 0.059 -2.799 9.034 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -0.568 -5.471 9.634 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -0.121 -3.205 10.367 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -0.435 -4.538 10.666 1.00 0.00 C ATOM 0 H TRP A 82 2.030 -1.584 3.381 1.00 0.00 H new ATOM 0 HA TRP A 82 2.452 -2.344 6.212 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.161 -1.503 6.281 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.258 -2.383 4.825 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.179 -5.126 4.997 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -0.661 -6.705 6.982 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.300 -1.769 8.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.807 -6.500 9.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.017 -2.486 11.166 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.574 -4.844 11.692 1.00 0.00 H new ATOM 1224 N CYS A 83 3.169 -4.442 5.047 1.00 0.00 N ATOM 1225 CA CYS A 83 3.530 -5.719 4.396 1.00 0.00 C ATOM 1226 C CYS A 83 2.841 -6.869 5.111 1.00 0.00 C ATOM 1227 O CYS A 83 3.217 -7.229 6.199 1.00 0.00 O ATOM 1228 CB CYS A 83 5.041 -5.916 4.484 1.00 0.00 C ATOM 1229 SG CYS A 83 5.622 -6.720 2.978 1.00 0.00 S ATOM 0 H CYS A 83 3.765 -4.167 5.828 1.00 0.00 H new ATOM 0 HA CYS A 83 3.215 -5.695 3.353 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.538 -4.955 4.613 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.291 -6.523 5.354 1.00 0.00 H new ATOM 1234 N TYR A 84 1.859 -7.473 4.509 1.00 0.00 N ATOM 1235 CA TYR A 84 1.211 -8.624 5.186 1.00 0.00 C ATOM 1236 C TYR A 84 2.233 -9.760 5.207 1.00 0.00 C ATOM 1237 O TYR A 84 1.974 -10.849 5.681 1.00 0.00 O ATOM 1238 CB TYR A 84 -0.055 -9.047 4.426 1.00 0.00 C ATOM 1239 CG TYR A 84 -0.944 -9.855 5.342 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -0.879 -11.253 5.326 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -1.833 -9.205 6.208 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -1.703 -12.002 6.176 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -2.656 -9.954 7.057 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.591 -11.353 7.040 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.402 -12.091 7.877 1.00 0.00 O ATOM 0 H TYR A 84 1.483 -7.225 3.594 1.00 0.00 H new ATOM 0 HA TYR A 84 0.907 -8.361 6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.588 -8.167 4.067 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.214 -9.636 3.549 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.194 -11.754 4.658 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.883 -8.126 6.220 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.653 -13.081 6.164 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.341 -9.453 7.725 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.957 -11.486 8.412 1.00 0.00 H new ATOM 1255 N ALA A 85 3.417 -9.482 4.712 1.00 0.00 N ATOM 1256 CA ALA A 85 4.505 -10.494 4.710 1.00 0.00 C ATOM 1257 C ALA A 85 5.433 -10.146 5.867 1.00 0.00 C ATOM 1258 O ALA A 85 5.445 -10.809 6.886 1.00 0.00 O ATOM 1259 CB ALA A 85 5.282 -10.439 3.392 1.00 0.00 C ATOM 0 H ALA A 85 3.672 -8.582 4.305 1.00 0.00 H new ATOM 0 HA ALA A 85 4.096 -11.499 4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.076 -11.186 3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.606 -10.643 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.719 -9.448 3.268 1.00 0.00 H new ATOM 1265 N CYS A 86 6.170 -9.067 5.752 1.00 0.00 N ATOM 1266 CA CYS A 86 7.026 -8.655 6.882 1.00 0.00 C ATOM 1267 C CYS A 86 6.065 -8.330 8.013 1.00 0.00 C ATOM 1268 O CYS A 86 6.437 -8.159 9.158 1.00 0.00 O ATOM 1269 CB CYS A 86 7.835 -7.409 6.500 1.00 0.00 C ATOM 1270 SG CYS A 86 8.761 -7.728 4.978 1.00 0.00 S ATOM 0 H CYS A 86 6.209 -8.466 4.929 1.00 0.00 H new ATOM 0 HA CYS A 86 7.738 -9.431 7.163 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.168 -6.559 6.360 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.520 -7.147 7.306 1.00 0.00 H new ATOM 1275 N GLU A 87 4.807 -8.256 7.666 1.00 0.00 N ATOM 1276 CA GLU A 87 3.749 -7.957 8.660 1.00 0.00 C ATOM 1277 C GLU A 87 4.171 -6.753 9.506 1.00 0.00 C ATOM 1278 O GLU A 87 4.367 -6.845 10.702 1.00 0.00 O ATOM 1279 CB GLU A 87 3.526 -9.201 9.519 1.00 0.00 C ATOM 1280 CG GLU A 87 2.100 -9.726 9.319 1.00 0.00 C ATOM 1281 CD GLU A 87 1.104 -8.760 9.962 1.00 0.00 C ATOM 1282 OE1 GLU A 87 1.460 -7.608 10.145 1.00 0.00 O ATOM 1283 OE2 GLU A 87 0.001 -9.189 10.261 1.00 0.00 O ATOM 0 H GLU A 87 4.467 -8.394 6.714 1.00 0.00 H new ATOM 0 HA GLU A 87 2.811 -7.702 8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.248 -9.973 9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.691 -8.962 10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.886 -9.831 8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.000 -10.716 9.763 1.00 0.00 H new ATOM 1290 N LYS A 88 4.306 -5.617 8.877 1.00 0.00 N ATOM 1291 CA LYS A 88 4.706 -4.387 9.617 1.00 0.00 C ATOM 1292 C LYS A 88 4.330 -3.163 8.780 1.00 0.00 C ATOM 1293 O LYS A 88 3.718 -3.283 7.740 1.00 0.00 O ATOM 1294 CB LYS A 88 6.217 -4.397 9.856 1.00 0.00 C ATOM 1295 CG LYS A 88 6.925 -4.880 8.591 1.00 0.00 C ATOM 1296 CD LYS A 88 8.433 -4.647 8.721 1.00 0.00 C ATOM 1297 CE LYS A 88 9.004 -5.534 9.835 1.00 0.00 C ATOM 1298 NZ LYS A 88 8.942 -4.803 11.132 1.00 0.00 N ATOM 0 H LYS A 88 4.155 -5.488 7.876 1.00 0.00 H new ATOM 0 HA LYS A 88 4.193 -4.353 10.578 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.562 -3.397 10.120 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.460 -5.050 10.694 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.724 -5.939 8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.539 -4.348 7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.927 -4.872 7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.630 -3.598 8.942 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.438 -6.463 9.901 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.035 -5.805 9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.898 -4.729 11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.558 -3.850 10.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.327 -5.320 11.793 1.00 0.00 H new ATOM 1312 N GLU A 89 4.694 -1.989 9.224 1.00 0.00 N ATOM 1313 CA GLU A 89 4.360 -0.752 8.454 1.00 0.00 C ATOM 1314 C GLU A 89 5.656 -0.130 7.927 1.00 0.00 C ATOM 1315 O GLU A 89 6.675 -0.163 8.587 1.00 0.00 O ATOM 1316 CB GLU A 89 3.641 0.239 9.385 1.00 0.00 C ATOM 1317 CG GLU A 89 2.315 0.694 8.758 1.00 0.00 C ATOM 1318 CD GLU A 89 1.366 1.172 9.860 1.00 0.00 C ATOM 1319 OE1 GLU A 89 1.844 1.439 10.950 1.00 0.00 O ATOM 1320 OE2 GLU A 89 0.180 1.263 9.593 1.00 0.00 O ATOM 0 H GLU A 89 5.210 -1.832 10.090 1.00 0.00 H new ATOM 0 HA GLU A 89 3.708 -0.993 7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.452 -0.230 10.351 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.279 1.103 9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.495 1.498 8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.861 -0.128 8.204 1.00 0.00 H new ATOM 1327 N VAL A 90 5.640 0.431 6.743 1.00 0.00 N ATOM 1328 CA VAL A 90 6.894 1.032 6.207 1.00 0.00 C ATOM 1329 C VAL A 90 6.555 2.176 5.245 1.00 0.00 C ATOM 1330 O VAL A 90 5.564 2.152 4.557 1.00 0.00 O ATOM 1331 CB VAL A 90 7.703 -0.056 5.472 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.802 -0.597 6.391 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.771 -1.206 5.075 1.00 0.00 C ATOM 0 H VAL A 90 4.824 0.497 6.134 1.00 0.00 H new ATOM 0 HA VAL A 90 7.488 1.432 7.029 1.00 0.00 H new ATOM 0 HB VAL A 90 8.156 0.378 4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.370 -1.365 5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.470 0.216 6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.350 -1.027 7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.343 -1.975 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.318 -1.633 5.970 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.988 -0.829 4.417 1.00 0.00 H new ATOM 1343 N PHE A 91 7.386 3.175 5.193 1.00 0.00 N ATOM 1344 CA PHE A 91 7.136 4.321 4.273 1.00 0.00 C ATOM 1345 C PHE A 91 8.044 4.181 3.067 1.00 0.00 C ATOM 1346 O PHE A 91 8.966 3.390 3.063 1.00 0.00 O ATOM 1347 CB PHE A 91 7.499 5.638 4.956 1.00 0.00 C ATOM 1348 CG PHE A 91 6.616 5.861 6.162 1.00 0.00 C ATOM 1349 CD1 PHE A 91 6.770 5.062 7.302 1.00 0.00 C ATOM 1350 CD2 PHE A 91 5.646 6.871 6.142 1.00 0.00 C ATOM 1351 CE1 PHE A 91 5.955 5.272 8.421 1.00 0.00 C ATOM 1352 CE2 PHE A 91 4.830 7.080 7.261 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.985 6.281 8.401 1.00 0.00 C ATOM 0 H PHE A 91 8.236 3.250 5.752 1.00 0.00 H new ATOM 0 HA PHE A 91 6.083 4.320 3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.546 5.622 5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.384 6.464 4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.518 4.283 7.318 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.527 7.489 5.264 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.075 4.655 9.300 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.081 7.858 7.245 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.356 6.443 9.264 1.00 0.00 H new ATOM 1363 N LEU A 92 7.818 4.961 2.050 1.00 0.00 N ATOM 1364 CA LEU A 92 8.704 4.883 0.871 1.00 0.00 C ATOM 1365 C LEU A 92 10.142 4.906 1.379 1.00 0.00 C ATOM 1366 O LEU A 92 10.458 5.573 2.344 1.00 0.00 O ATOM 1367 CB LEU A 92 8.454 6.085 -0.044 1.00 0.00 C ATOM 1368 CG LEU A 92 6.968 6.145 -0.425 1.00 0.00 C ATOM 1369 CD1 LEU A 92 6.609 7.564 -0.870 1.00 0.00 C ATOM 1370 CD2 LEU A 92 6.687 5.168 -1.571 1.00 0.00 C ATOM 0 H LEU A 92 7.062 5.643 1.989 1.00 0.00 H new ATOM 0 HA LEU A 92 8.512 3.973 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.747 7.006 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.067 6.004 -0.942 1.00 0.00 H new ATOM 0 HG LEU A 92 6.366 5.870 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.554 7.605 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.802 8.261 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.215 7.839 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.631 5.214 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.292 5.438 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.937 4.155 -1.255 1.00 0.00 H new ATOM 1382 N GLU A 93 11.004 4.170 0.757 1.00 0.00 N ATOM 1383 CA GLU A 93 12.427 4.121 1.200 1.00 0.00 C ATOM 1384 C GLU A 93 12.972 5.541 1.420 1.00 0.00 C ATOM 1385 O GLU A 93 14.130 5.720 1.745 1.00 0.00 O ATOM 1386 CB GLU A 93 13.256 3.415 0.129 1.00 0.00 C ATOM 1387 CG GLU A 93 12.979 4.063 -1.228 1.00 0.00 C ATOM 1388 CD GLU A 93 13.505 3.158 -2.344 1.00 0.00 C ATOM 1389 OE1 GLU A 93 14.629 2.699 -2.227 1.00 0.00 O ATOM 1390 OE2 GLU A 93 12.776 2.942 -3.297 1.00 0.00 O ATOM 0 H GLU A 93 10.787 3.589 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 93 12.490 3.576 2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.317 3.484 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.005 2.355 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.909 4.227 -1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.459 5.040 -1.281 1.00 0.00 H new ATOM 1397 N GLN A 94 12.155 6.549 1.254 1.00 0.00 N ATOM 1398 CA GLN A 94 12.631 7.949 1.461 1.00 0.00 C ATOM 1399 C GLN A 94 13.753 8.283 0.471 1.00 0.00 C ATOM 1400 O GLN A 94 14.013 9.435 0.186 1.00 0.00 O ATOM 1401 CB GLN A 94 13.153 8.107 2.891 1.00 0.00 C ATOM 1402 CG GLN A 94 12.201 7.412 3.866 1.00 0.00 C ATOM 1403 CD GLN A 94 12.520 7.852 5.294 1.00 0.00 C ATOM 1404 OE1 GLN A 94 13.670 7.922 5.678 1.00 0.00 O ATOM 1405 NE2 GLN A 94 11.543 8.157 6.104 1.00 0.00 N ATOM 0 H GLN A 94 11.175 6.462 0.983 1.00 0.00 H new ATOM 0 HA GLN A 94 11.797 8.631 1.295 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.151 7.677 2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.239 9.164 3.143 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.168 7.659 3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.299 6.330 3.777 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.577 8.099 5.782 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.746 8.454 7.059 1.00 0.00 H new ATOM 1414 N ARG A 95 14.426 7.294 -0.052 1.00 0.00 N ATOM 1415 CA ARG A 95 15.531 7.573 -1.013 1.00 0.00 C ATOM 1416 C ARG A 95 15.045 8.569 -2.068 1.00 0.00 C ATOM 1417 O ARG A 95 15.804 9.365 -2.584 1.00 0.00 O ATOM 1418 CB ARG A 95 15.979 6.254 -1.672 1.00 0.00 C ATOM 1419 CG ARG A 95 15.237 6.005 -2.999 1.00 0.00 C ATOM 1420 CD ARG A 95 15.966 6.703 -4.156 1.00 0.00 C ATOM 1421 NE ARG A 95 16.846 5.719 -4.847 1.00 0.00 N ATOM 1422 CZ ARG A 95 16.318 4.745 -5.539 1.00 0.00 C ATOM 1423 NH1 ARG A 95 17.088 3.881 -6.140 1.00 0.00 N ATOM 1424 NH2 ARG A 95 15.021 4.637 -5.628 1.00 0.00 N ATOM 0 H ARG A 95 14.259 6.307 0.144 1.00 0.00 H new ATOM 0 HA ARG A 95 16.382 8.008 -0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 95 17.053 6.284 -1.855 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.795 5.424 -0.990 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.174 4.934 -3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.215 6.377 -2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.244 7.119 -4.859 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.559 7.536 -3.778 1.00 0.00 H new ATOM 0 HE ARG A 95 17.860 5.806 -4.780 1.00 0.00 H new ATOM 0 HH11 ARG A 95 18.102 3.966 -6.070 1.00 0.00 H new ATOM 0 HH12 ARG A 95 16.676 3.120 -6.680 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.419 5.313 -5.157 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.608 3.877 -6.168 1.00 0.00 H new ATOM 1438 N LEU A 96 13.782 8.524 -2.391 1.00 0.00 N ATOM 1439 CA LEU A 96 13.234 9.460 -3.416 1.00 0.00 C ATOM 1440 C LEU A 96 12.509 10.615 -2.724 1.00 0.00 C ATOM 1441 O LEU A 96 12.413 10.666 -1.514 1.00 0.00 O ATOM 1442 CB LEU A 96 12.252 8.709 -4.324 1.00 0.00 C ATOM 1443 CG LEU A 96 11.148 8.046 -3.480 1.00 0.00 C ATOM 1444 CD1 LEU A 96 9.885 8.914 -3.492 1.00 0.00 C ATOM 1445 CD2 LEU A 96 10.813 6.670 -4.066 1.00 0.00 C ATOM 0 H LEU A 96 13.103 7.878 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 96 14.053 9.856 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.807 9.400 -5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.784 7.952 -4.900 1.00 0.00 H new ATOM 0 HG LEU A 96 11.504 7.938 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.110 8.437 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.114 9.895 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.532 9.028 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.031 6.201 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.465 6.787 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.704 6.043 -4.055 1.00 0.00 H new ATOM 1457 N ALA A 97 11.996 11.540 -3.487 1.00 0.00 N ATOM 1458 CA ALA A 97 11.274 12.694 -2.883 1.00 0.00 C ATOM 1459 C ALA A 97 10.785 13.625 -3.995 1.00 0.00 C ATOM 1460 O ALA A 97 11.042 13.402 -5.162 1.00 0.00 O ATOM 1461 CB ALA A 97 12.219 13.459 -1.954 1.00 0.00 C ATOM 0 H ALA A 97 12.046 11.546 -4.506 1.00 0.00 H new ATOM 0 HA ALA A 97 10.421 12.331 -2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.690 14.304 -1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.568 12.795 -1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.073 13.824 -2.524 1.00 0.00 H new ATOM 1467 N ALA A 98 10.082 14.668 -3.644 1.00 0.00 N ATOM 1468 CA ALA A 98 9.579 15.611 -4.682 1.00 0.00 C ATOM 1469 C ALA A 98 8.888 16.802 -4.004 1.00 0.00 C ATOM 1470 O ALA A 98 9.329 17.927 -4.124 1.00 0.00 O ATOM 1471 CB ALA A 98 8.596 14.879 -5.607 1.00 0.00 C ATOM 0 H ALA A 98 9.835 14.907 -2.684 1.00 0.00 H new ATOM 0 HA ALA A 98 10.414 15.981 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.228 15.569 -6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.104 14.045 -6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.757 14.503 -5.022 1.00 0.00 H new ATOM 1477 N PRO A 99 7.813 16.563 -3.292 1.00 0.00 N ATOM 1478 CA PRO A 99 7.063 17.646 -2.585 1.00 0.00 C ATOM 1479 C PRO A 99 7.929 18.354 -1.537 1.00 0.00 C ATOM 1480 O PRO A 99 9.119 18.086 -1.500 1.00 0.00 O ATOM 1481 CB PRO A 99 5.890 16.916 -1.913 1.00 0.00 C ATOM 1482 CG PRO A 99 6.289 15.476 -1.869 1.00 0.00 C ATOM 1483 CD PRO A 99 7.191 15.246 -3.077 1.00 0.00 C ATOM 1484 OXT PRO A 99 7.386 19.152 -0.790 1.00 0.00 O ATOM 0 HA PRO A 99 6.741 18.428 -3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 99 5.709 17.304 -0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 99 4.968 17.051 -2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 99 6.814 15.246 -0.942 1.00 0.00 H new ATOM 0 HG3 PRO A 99 5.413 14.828 -1.908 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.937 14.476 -2.881 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.621 14.923 -3.948 1.00 0.00 H new TER 1492 PRO A 99 HETATM 1493 ZN ZN A 101 7.891 -7.015 2.952 1.00 0.00 ZN HETATM 1494 ZN ZN A 102 -12.935 -3.236 -0.039 1.00 0.00 ZN HETATM 1495 ZN ZN A 103 -2.873 -6.690 -4.880 1.00 0.00 ZN