USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 926 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 72 CYS SG : rot 94:sc= 1.06 USER MOD Set 1.2: A 90 CYS SG : rot 39:sc= -0.19 USER MOD Set 2.1: A 63 SER OG : rot 180:sc= 0.417 USER MOD Set 2.2: A 70 LYS NZ :NH3+ -150:sc= 0.431 (180deg=0) USER MOD Set 3.1: A 62 CYS SG : rot 170:sc= 1.02 USER MOD Set 3.2: A 76 CYS SG : rot -42:sc= 0.691 USER MOD Set 4.1: A 46 ASN : amide:sc= 0.234 X(o=2.1,f=1.9) USER MOD Set 4.2: A 48 SER OG : rot 180:sc= 0.262 USER MOD Set 4.3: A 57 ASN : amide:sc= 1.55 K(o=2.1,f=-3.6!) USER MOD Set 5.1: A 43 THR OG1 : rot 180:sc= 0.724 USER MOD Set 5.2: A 49 LYS NZ :NH3+ 168:sc= 0.817 (180deg=0) USER MOD Set 6.1: A 42 ASN : amide:sc= 0.916 K(o=2.9,f=1.2) USER MOD Set 6.2: A 55 GLN : amide:sc= 2.02 K(o=2.9,f=-1) USER MOD Set 7.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 40 LYS NZ :NH3+ 169:sc= 1.07 (180deg=0.983) USER MOD Set 8.1: A 28 CYS SG : rot -42:sc= 0.906 USER MOD Set 8.2: A 32 HIS : no HD1:sc= -0.0764 K(o=1.6,f=0.5) USER MOD Set 8.3: A 109 HIS : no HD1:sc= 0.951 K(o=1.6,f=-3!) USER MOD Set 8.4: A 110 CYS SG : rot -54:sc= -0.228 USER MOD Set 9.1: A 7 CYS SG : rot 180:sc= 0.579 USER MOD Set 9.2: A 119 SER OG : rot 180:sc= 0.0197 USER MOD Set 9.3: A 120 CYS SG : rot -57:sc= 0.479 USER MOD Single : A 1 GLY N :NH3+ 173:sc= 0.839 (180deg=0.806) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -38:sc= 0.372 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0.988 K(o=0.99,f=-3.1!) USER MOD Single : A 15 LYS NZ :NH3+ 158:sc= 1.24 (180deg=1.19) USER MOD Single : A 16 HIS : no HD1:sc= -0.436 K(o=-0.44,f=-2) USER MOD Single : A 21 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 23 MET CE :methyl 147:sc= -0.193 (180deg=-4.03!) USER MOD Single : A 25 ASN : amide:sc= 0.622 K(o=0.62,f=-3.2!) USER MOD Single : A 34 SER OG : rot -123:sc= 1.12 USER MOD Single : A 38 THR OG1 : rot 171:sc= 1.21 USER MOD Single : A 39 SER OG : rot 180:sc= -0.479 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 144:sc= 1.25 (180deg=0.772) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.183 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 175:sc= 0.779 (180deg=0.768) USER MOD Single : A 89 LYS NZ :NH3+ -158:sc= 0.995 (180deg=0.679) USER MOD Single : A 92 LYS NZ :NH3+ 175:sc= 0.911 (180deg=0.901) USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1.11) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.093 X(o=-0.093,f=-0.093) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.17) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= 1.63 K(o=1.6,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.465 -7.610 10.213 1.00 0.00 N ATOM 2 CA GLY A 1 -7.974 -7.500 8.828 1.00 0.00 C ATOM 3 C GLY A 1 -8.702 -8.448 7.893 1.00 0.00 C ATOM 4 O GLY A 1 -9.370 -9.388 8.331 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.866 -7.036 10.840 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.446 -7.267 10.262 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.430 -8.604 10.516 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.101 -6.476 8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.906 -7.715 8.803 1.00 0.00 H new ATOM 10 N LYS A 2 -8.570 -8.205 6.587 1.00 0.00 N ATOM 11 CA LYS A 2 -9.311 -8.878 5.513 1.00 0.00 C ATOM 12 C LYS A 2 -8.569 -8.838 4.162 1.00 0.00 C ATOM 13 O LYS A 2 -7.692 -7.994 3.941 1.00 0.00 O ATOM 14 CB LYS A 2 -10.721 -8.253 5.403 1.00 0.00 C ATOM 15 CG LYS A 2 -10.697 -6.785 4.936 1.00 0.00 C ATOM 16 CD LYS A 2 -12.094 -6.165 4.800 1.00 0.00 C ATOM 17 CE LYS A 2 -12.881 -6.776 3.631 1.00 0.00 C ATOM 18 NZ LYS A 2 -14.207 -6.125 3.465 1.00 0.00 N ATOM 0 H LYS A 2 -7.918 -7.506 6.232 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.399 -9.934 5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.319 -8.840 4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.214 -8.311 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.114 -6.196 5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.186 -6.726 3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.648 -6.312 5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.001 -5.089 4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.306 -6.672 2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.018 -7.844 3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.711 -6.562 2.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.764 -6.246 4.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.075 -5.111 3.277 1.00 0.00 H new ATOM 32 N THR A 3 -8.976 -9.718 3.237 1.00 0.00 N ATOM 33 CA THR A 3 -8.421 -9.836 1.878 1.00 0.00 C ATOM 34 C THR A 3 -9.432 -9.343 0.848 1.00 0.00 C ATOM 35 O THR A 3 -10.618 -9.665 0.931 1.00 0.00 O ATOM 36 CB THR A 3 -7.997 -11.279 1.574 1.00 0.00 C ATOM 37 OG1 THR A 3 -7.357 -11.863 2.690 1.00 0.00 O ATOM 38 CG2 THR A 3 -7.035 -11.332 0.386 1.00 0.00 C ATOM 0 H THR A 3 -9.723 -10.389 3.417 1.00 0.00 H new ATOM 0 HA THR A 3 -7.531 -9.210 1.820 1.00 0.00 H new ATOM 0 HB THR A 3 -8.905 -11.834 1.336 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.795 -11.193 3.132 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.751 -12.367 0.193 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.524 -10.919 -0.497 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.143 -10.748 0.613 1.00 0.00 H new ATOM 46 N PHE A 4 -8.949 -8.572 -0.126 1.00 0.00 N ATOM 47 CA PHE A 4 -9.717 -7.999 -1.234 1.00 0.00 C ATOM 48 C PHE A 4 -9.443 -8.765 -2.539 1.00 0.00 C ATOM 49 O PHE A 4 -8.376 -9.357 -2.725 1.00 0.00 O ATOM 50 CB PHE A 4 -9.356 -6.505 -1.387 1.00 0.00 C ATOM 51 CG PHE A 4 -9.799 -5.619 -0.230 1.00 0.00 C ATOM 52 CD1 PHE A 4 -9.088 -5.623 0.987 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.932 -4.790 -0.364 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.533 -4.846 2.070 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.378 -4.016 0.723 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.685 -4.051 1.943 1.00 0.00 C ATOM 0 H PHE A 4 -7.962 -8.317 -0.167 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.781 -8.088 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.276 -6.417 -1.501 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.805 -6.129 -2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.197 -6.226 1.088 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.460 -4.749 -1.305 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.988 -4.860 3.002 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.255 -3.394 0.618 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.036 -3.469 2.782 1.00 0.00 H new ATOM 66 N THR A 5 -10.404 -8.712 -3.465 1.00 0.00 N ATOM 67 CA THR A 5 -10.253 -9.157 -4.864 1.00 0.00 C ATOM 68 C THR A 5 -9.862 -7.955 -5.720 1.00 0.00 C ATOM 69 O THR A 5 -10.044 -6.824 -5.274 1.00 0.00 O ATOM 70 CB THR A 5 -11.514 -9.880 -5.355 1.00 0.00 C ATOM 71 OG1 THR A 5 -11.205 -10.466 -6.598 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.734 -8.973 -5.537 1.00 0.00 C ATOM 0 H THR A 5 -11.336 -8.350 -3.263 1.00 0.00 H new ATOM 0 HA THR A 5 -9.455 -9.895 -4.944 1.00 0.00 H new ATOM 0 HB THR A 5 -11.788 -10.607 -4.590 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.991 -10.940 -6.941 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.579 -9.566 -5.886 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.986 -8.507 -4.584 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.506 -8.199 -6.270 1.00 0.00 H new ATOM 80 N ARG A 6 -9.330 -8.155 -6.931 1.00 0.00 N ATOM 81 CA ARG A 6 -8.850 -7.046 -7.775 1.00 0.00 C ATOM 82 C ARG A 6 -9.950 -6.006 -8.029 1.00 0.00 C ATOM 83 O ARG A 6 -9.734 -4.819 -7.789 1.00 0.00 O ATOM 84 CB ARG A 6 -8.247 -7.581 -9.083 1.00 0.00 C ATOM 85 CG ARG A 6 -7.534 -6.461 -9.864 1.00 0.00 C ATOM 86 CD ARG A 6 -6.832 -6.982 -11.121 1.00 0.00 C ATOM 87 NE ARG A 6 -5.693 -7.855 -10.785 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.248 -8.902 -11.466 1.00 0.00 C ATOM 89 NH1 ARG A 6 -5.845 -9.350 -12.552 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.164 -9.513 -11.049 1.00 0.00 N ATOM 0 H ARG A 6 -9.219 -9.077 -7.353 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.057 -6.530 -7.233 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.540 -8.380 -8.861 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.035 -8.014 -9.700 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.261 -5.699 -10.146 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.802 -5.979 -9.216 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.545 -7.533 -11.734 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.482 -6.140 -11.718 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.188 -7.627 -9.929 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.685 -8.887 -12.900 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.467 -10.159 -13.045 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.680 -9.181 -10.215 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.805 -10.320 -11.559 1.00 0.00 H new ATOM 104 N CYS A 7 -11.157 -6.436 -8.411 1.00 0.00 N ATOM 105 CA CYS A 7 -12.307 -5.538 -8.619 1.00 0.00 C ATOM 106 C CYS A 7 -12.689 -4.757 -7.351 1.00 0.00 C ATOM 107 O CYS A 7 -12.957 -3.559 -7.424 1.00 0.00 O ATOM 108 CB CYS A 7 -13.504 -6.345 -9.141 1.00 0.00 C ATOM 109 SG CYS A 7 -13.198 -7.257 -10.678 1.00 0.00 S ATOM 0 H CYS A 7 -11.369 -7.418 -8.586 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.013 -4.795 -9.361 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.810 -7.053 -8.371 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.341 -5.665 -9.300 1.00 0.00 H new ATOM 0 HG CYS A 7 -14.274 -7.901 -11.022 1.00 0.00 H new ATOM 114 N GLY A 8 -12.621 -5.405 -6.180 1.00 0.00 N ATOM 115 CA GLY A 8 -12.882 -4.780 -4.879 1.00 0.00 C ATOM 116 C GLY A 8 -11.809 -3.755 -4.520 1.00 0.00 C ATOM 117 O GLY A 8 -12.143 -2.638 -4.143 1.00 0.00 O ATOM 0 H GLY A 8 -12.379 -6.393 -6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.858 -4.294 -4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.923 -5.549 -4.108 1.00 0.00 H new ATOM 121 N LEU A 9 -10.530 -4.094 -4.704 1.00 0.00 N ATOM 122 CA LEU A 9 -9.389 -3.204 -4.504 1.00 0.00 C ATOM 123 C LEU A 9 -9.435 -2.000 -5.448 1.00 0.00 C ATOM 124 O LEU A 9 -9.361 -0.876 -4.964 1.00 0.00 O ATOM 125 CB LEU A 9 -8.105 -4.040 -4.665 1.00 0.00 C ATOM 126 CG LEU A 9 -6.824 -3.230 -4.416 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.801 -2.656 -2.996 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.594 -4.112 -4.652 1.00 0.00 C ATOM 0 H LEU A 9 -10.254 -5.028 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.415 -2.777 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.137 -4.881 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.074 -4.457 -5.671 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.806 -2.395 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.883 -2.088 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.660 -2.001 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.843 -3.471 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.690 -3.530 -4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.619 -4.962 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.597 -4.472 -5.681 1.00 0.00 H new ATOM 140 N VAL A 10 -9.629 -2.210 -6.754 1.00 0.00 N ATOM 141 CA VAL A 10 -9.799 -1.125 -7.744 1.00 0.00 C ATOM 142 C VAL A 10 -10.865 -0.123 -7.271 1.00 0.00 C ATOM 143 O VAL A 10 -10.641 1.083 -7.286 1.00 0.00 O ATOM 144 CB VAL A 10 -10.164 -1.687 -9.143 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.672 -0.605 -10.107 1.00 0.00 C ATOM 146 CG2 VAL A 10 -8.961 -2.372 -9.808 1.00 0.00 C ATOM 0 H VAL A 10 -9.674 -3.143 -7.164 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.846 -0.604 -7.832 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.961 -2.407 -8.959 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.911 -1.058 -11.069 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.566 -0.139 -9.693 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.899 0.152 -10.244 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.254 -2.753 -10.786 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.152 -1.651 -9.927 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.622 -3.198 -9.183 1.00 0.00 H new ATOM 156 N HIS A 11 -12.001 -0.621 -6.780 1.00 0.00 N ATOM 157 CA HIS A 11 -13.098 0.202 -6.251 1.00 0.00 C ATOM 158 C HIS A 11 -12.747 0.918 -4.933 1.00 0.00 C ATOM 159 O HIS A 11 -13.032 2.107 -4.788 1.00 0.00 O ATOM 160 CB HIS A 11 -14.342 -0.675 -6.054 1.00 0.00 C ATOM 161 CG HIS A 11 -15.021 -1.151 -7.316 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.251 -1.816 -7.333 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.582 -1.001 -8.604 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.516 -2.059 -8.626 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.535 -1.583 -9.410 1.00 0.00 N ATOM 0 H HIS A 11 -12.191 -1.622 -6.737 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.290 0.985 -6.984 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.058 -1.548 -5.466 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.067 -0.115 -5.463 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.669 -0.521 -8.925 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.398 -2.568 -8.987 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.502 -1.642 -10.428 1.00 0.00 H new ATOM 173 N GLU A 12 -12.103 0.222 -3.993 1.00 0.00 N ATOM 174 CA GLU A 12 -11.694 0.749 -2.686 1.00 0.00 C ATOM 175 C GLU A 12 -10.690 1.900 -2.839 1.00 0.00 C ATOM 176 O GLU A 12 -10.786 2.911 -2.151 1.00 0.00 O ATOM 177 CB GLU A 12 -11.103 -0.404 -1.851 1.00 0.00 C ATOM 178 CG GLU A 12 -11.303 -0.276 -0.338 1.00 0.00 C ATOM 179 CD GLU A 12 -12.782 -0.197 0.081 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.593 -1.051 -0.350 1.00 0.00 O ATOM 181 OE2 GLU A 12 -13.145 0.714 0.859 1.00 0.00 O ATOM 0 H GLU A 12 -11.843 -0.756 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.564 1.158 -2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.551 -1.340 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.035 -0.471 -2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.839 -1.130 0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.785 0.616 0.015 1.00 0.00 H new ATOM 188 N LEU A 13 -9.777 1.797 -3.805 1.00 0.00 N ATOM 189 CA LEU A 13 -8.801 2.842 -4.125 1.00 0.00 C ATOM 190 C LEU A 13 -9.427 4.002 -4.910 1.00 0.00 C ATOM 191 O LEU A 13 -9.158 5.162 -4.599 1.00 0.00 O ATOM 192 CB LEU A 13 -7.652 2.201 -4.906 1.00 0.00 C ATOM 193 CG LEU A 13 -6.904 1.093 -4.155 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.904 0.447 -5.113 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.178 1.597 -2.905 1.00 0.00 C ATOM 0 H LEU A 13 -9.692 0.971 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.428 3.276 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.048 1.788 -5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.940 2.979 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.642 0.369 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.363 -0.344 -4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.437 0.024 -5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.198 1.200 -5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.669 0.764 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.447 2.354 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.901 2.032 -2.215 1.00 0.00 H new ATOM 207 N ARG A 14 -10.307 3.716 -5.877 1.00 0.00 N ATOM 208 CA ARG A 14 -11.096 4.753 -6.579 1.00 0.00 C ATOM 209 C ARG A 14 -11.905 5.615 -5.588 1.00 0.00 C ATOM 210 O ARG A 14 -11.950 6.839 -5.717 1.00 0.00 O ATOM 211 CB ARG A 14 -12.045 4.119 -7.611 1.00 0.00 C ATOM 212 CG ARG A 14 -11.358 3.724 -8.925 1.00 0.00 C ATOM 213 CD ARG A 14 -12.314 2.876 -9.771 1.00 0.00 C ATOM 214 NE ARG A 14 -11.743 2.520 -11.081 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.276 1.652 -11.939 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.445 1.093 -11.722 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.639 1.308 -13.037 1.00 0.00 N ATOM 0 H ARG A 14 -10.497 2.767 -6.199 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.388 5.398 -7.099 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.505 3.234 -7.172 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.850 4.821 -7.830 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.064 4.617 -9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.447 3.164 -8.716 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.564 1.965 -9.228 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.245 3.423 -9.921 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.871 2.974 -11.352 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -13.970 1.320 -10.878 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.827 0.432 -12.398 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.723 1.707 -13.242 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.061 0.642 -13.684 1.00 0.00 H new ATOM 231 N LYS A 15 -12.490 4.988 -4.564 1.00 0.00 N ATOM 232 CA LYS A 15 -13.176 5.618 -3.433 1.00 0.00 C ATOM 233 C LYS A 15 -12.208 6.421 -2.535 1.00 0.00 C ATOM 234 O LYS A 15 -12.528 7.541 -2.133 1.00 0.00 O ATOM 235 CB LYS A 15 -13.872 4.456 -2.700 1.00 0.00 C ATOM 236 CG LYS A 15 -14.428 4.771 -1.310 1.00 0.00 C ATOM 237 CD LYS A 15 -14.856 3.462 -0.631 1.00 0.00 C ATOM 238 CE LYS A 15 -15.167 3.671 0.854 1.00 0.00 C ATOM 239 NZ LYS A 15 -15.298 2.367 1.555 1.00 0.00 N ATOM 0 H LYS A 15 -12.498 3.970 -4.498 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.900 6.367 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.691 4.099 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.161 3.635 -2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.673 5.277 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.278 5.449 -1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.736 3.061 -1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.064 2.721 -0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.375 4.260 1.317 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.090 4.240 0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.136 2.502 2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.254 1.986 1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.596 1.699 1.179 1.00 0.00 H new ATOM 253 N HIS A 16 -11.013 5.890 -2.258 1.00 0.00 N ATOM 254 CA HIS A 16 -10.017 6.501 -1.363 1.00 0.00 C ATOM 255 C HIS A 16 -9.137 7.598 -2.009 1.00 0.00 C ATOM 256 O HIS A 16 -8.381 8.266 -1.296 1.00 0.00 O ATOM 257 CB HIS A 16 -9.179 5.382 -0.716 1.00 0.00 C ATOM 258 CG HIS A 16 -9.947 4.523 0.265 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.285 4.673 0.651 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.417 3.471 0.947 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.523 3.680 1.522 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.422 2.943 1.724 1.00 0.00 N ATOM 0 H HIS A 16 -10.702 5.004 -2.657 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.568 7.048 -0.598 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.775 4.744 -1.502 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.329 5.831 -0.202 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.398 3.117 0.889 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.476 3.499 1.997 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.343 2.136 2.343 1.00 0.00 H new ATOM 270 N GLY A 17 -9.259 7.837 -3.321 1.00 0.00 N ATOM 271 CA GLY A 17 -8.614 8.953 -4.035 1.00 0.00 C ATOM 272 C GLY A 17 -7.375 8.558 -4.840 1.00 0.00 C ATOM 273 O GLY A 17 -6.390 9.298 -4.848 1.00 0.00 O ATOM 0 H GLY A 17 -9.822 7.247 -3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.341 9.405 -4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.333 9.717 -3.311 1.00 0.00 H new ATOM 277 N PHE A 18 -7.410 7.401 -5.505 1.00 0.00 N ATOM 278 CA PHE A 18 -6.373 6.917 -6.421 1.00 0.00 C ATOM 279 C PHE A 18 -6.863 7.071 -7.873 1.00 0.00 C ATOM 280 O PHE A 18 -8.028 6.801 -8.173 1.00 0.00 O ATOM 281 CB PHE A 18 -6.052 5.456 -6.092 1.00 0.00 C ATOM 282 CG PHE A 18 -5.346 5.215 -4.764 1.00 0.00 C ATOM 283 CD1 PHE A 18 -5.988 5.477 -3.538 1.00 0.00 C ATOM 284 CD2 PHE A 18 -4.036 4.700 -4.753 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.314 5.274 -2.327 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.365 4.473 -3.540 1.00 0.00 C ATOM 287 CZ PHE A 18 -4.002 4.765 -2.324 1.00 0.00 C ATOM 0 H PHE A 18 -8.191 6.750 -5.417 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.461 7.502 -6.306 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.983 4.890 -6.095 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.431 5.051 -6.891 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.006 5.837 -3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.542 4.477 -5.687 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.803 5.509 -1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.361 4.075 -3.543 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.487 4.600 -1.389 1.00 0.00 H new ATOM 297 N GLU A 19 -5.982 7.512 -8.775 1.00 0.00 N ATOM 298 CA GLU A 19 -6.347 7.851 -10.157 1.00 0.00 C ATOM 299 C GLU A 19 -6.505 6.602 -11.035 1.00 0.00 C ATOM 300 O GLU A 19 -5.704 5.669 -10.953 1.00 0.00 O ATOM 301 CB GLU A 19 -5.295 8.766 -10.799 1.00 0.00 C ATOM 302 CG GLU A 19 -4.960 10.051 -10.036 1.00 0.00 C ATOM 303 CD GLU A 19 -6.170 10.988 -9.891 1.00 0.00 C ATOM 304 OE1 GLU A 19 -6.406 11.820 -10.798 1.00 0.00 O ATOM 305 OE2 GLU A 19 -6.877 10.915 -8.859 1.00 0.00 O ATOM 0 H GLU A 19 -4.992 7.645 -8.569 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.305 8.368 -10.100 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.376 8.194 -10.927 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.641 9.040 -11.796 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.585 9.793 -9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.158 10.577 -10.554 1.00 0.00 H new ATOM 312 N GLU A 20 -7.493 6.612 -11.930 1.00 0.00 N ATOM 313 CA GLU A 20 -7.764 5.535 -12.893 1.00 0.00 C ATOM 314 C GLU A 20 -6.542 5.135 -13.744 1.00 0.00 C ATOM 315 O GLU A 20 -6.306 3.948 -13.967 1.00 0.00 O ATOM 316 CB GLU A 20 -8.976 5.891 -13.768 1.00 0.00 C ATOM 317 CG GLU A 20 -8.759 6.975 -14.833 1.00 0.00 C ATOM 318 CD GLU A 20 -8.295 8.320 -14.254 1.00 0.00 C ATOM 319 OE1 GLU A 20 -9.128 9.038 -13.654 1.00 0.00 O ATOM 320 OE2 GLU A 20 -7.086 8.635 -14.358 1.00 0.00 O ATOM 0 H GLU A 20 -8.148 7.390 -12.010 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.001 4.648 -12.306 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.313 4.984 -14.269 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.786 6.213 -13.114 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.019 6.624 -15.552 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.689 7.126 -15.381 1.00 0.00 H new ATOM 327 N ASN A 21 -5.722 6.105 -14.168 1.00 0.00 N ATOM 328 CA ASN A 21 -4.528 5.858 -14.986 1.00 0.00 C ATOM 329 C ASN A 21 -3.341 5.290 -14.180 1.00 0.00 C ATOM 330 O ASN A 21 -2.398 4.752 -14.765 1.00 0.00 O ATOM 331 CB ASN A 21 -4.146 7.137 -15.752 1.00 0.00 C ATOM 332 CG ASN A 21 -3.483 8.197 -14.875 1.00 0.00 C ATOM 333 OD1 ASN A 21 -2.265 8.282 -14.790 1.00 0.00 O ATOM 334 ND2 ASN A 21 -4.254 9.026 -14.199 1.00 0.00 N ATOM 0 H ASN A 21 -5.870 7.091 -13.951 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.780 5.078 -15.705 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.470 6.875 -16.566 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.042 7.561 -16.206 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.836 9.741 -13.603 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.269 8.953 -14.272 1.00 0.00 H new ATOM 341 N LEU A 22 -3.401 5.371 -12.844 1.00 0.00 N ATOM 342 CA LEU A 22 -2.413 4.800 -11.920 1.00 0.00 C ATOM 343 C LEU A 22 -2.894 3.476 -11.306 1.00 0.00 C ATOM 344 O LEU A 22 -2.069 2.687 -10.854 1.00 0.00 O ATOM 345 CB LEU A 22 -2.096 5.830 -10.819 1.00 0.00 C ATOM 346 CG LEU A 22 -1.619 7.213 -11.305 1.00 0.00 C ATOM 347 CD1 LEU A 22 -1.311 8.089 -10.082 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.391 7.148 -12.222 1.00 0.00 C ATOM 0 H LEU A 22 -4.162 5.850 -12.362 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.508 4.573 -12.483 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.990 5.969 -10.211 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.329 5.411 -10.167 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.423 7.642 -11.903 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.972 9.071 -10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.212 8.201 -9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.530 7.618 -9.485 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.110 8.156 -12.526 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.439 6.686 -11.687 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.628 6.555 -13.106 1.00 0.00 H new ATOM 360 N MET A 23 -4.206 3.213 -11.314 1.00 0.00 N ATOM 361 CA MET A 23 -4.861 2.058 -10.681 1.00 0.00 C ATOM 362 C MET A 23 -4.198 0.720 -11.041 1.00 0.00 C ATOM 363 O MET A 23 -3.893 -0.069 -10.146 1.00 0.00 O ATOM 364 CB MET A 23 -6.355 2.091 -11.061 1.00 0.00 C ATOM 365 CG MET A 23 -7.263 1.268 -10.135 1.00 0.00 C ATOM 366 SD MET A 23 -7.209 1.755 -8.399 1.00 0.00 S ATOM 367 CE MET A 23 -7.675 3.492 -8.577 1.00 0.00 C ATOM 0 H MET A 23 -4.872 3.827 -11.783 1.00 0.00 H new ATOM 0 HA MET A 23 -4.752 2.135 -9.599 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.696 3.126 -11.057 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.466 1.722 -12.081 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.290 1.350 -10.489 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.982 0.218 -10.213 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.247 3.807 -7.704 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.776 4.103 -8.662 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.284 3.615 -9.473 1.00 0.00 H new ATOM 377 N ARG A 24 -3.875 0.502 -12.326 1.00 0.00 N ATOM 378 CA ARG A 24 -3.165 -0.695 -12.805 1.00 0.00 C ATOM 379 C ARG A 24 -1.832 -0.919 -12.072 1.00 0.00 C ATOM 380 O ARG A 24 -1.575 -2.014 -11.574 1.00 0.00 O ATOM 381 CB ARG A 24 -2.894 -0.608 -14.322 1.00 0.00 C ATOM 382 CG ARG A 24 -4.151 -0.405 -15.178 1.00 0.00 C ATOM 383 CD ARG A 24 -3.859 -0.457 -16.683 1.00 0.00 C ATOM 384 NE ARG A 24 -3.510 -1.817 -17.129 1.00 0.00 N ATOM 385 CZ ARG A 24 -3.103 -2.171 -18.341 1.00 0.00 C ATOM 386 NH1 ARG A 24 -2.961 -1.295 -19.314 1.00 0.00 N ATOM 387 NH2 ARG A 24 -2.828 -3.432 -18.597 1.00 0.00 N ATOM 0 H ARG A 24 -4.103 1.161 -13.071 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.819 -1.541 -12.594 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.204 0.215 -14.509 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.394 -1.522 -14.643 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.883 -1.172 -14.928 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.601 0.557 -14.933 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.732 -0.107 -17.234 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.040 0.223 -16.918 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.589 -2.561 -16.436 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.166 -0.310 -19.147 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.646 -1.602 -20.234 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.928 -4.135 -17.864 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.515 -3.707 -19.528 1.00 0.00 H new ATOM 401 N ASN A 25 -1.003 0.125 -11.955 1.00 0.00 N ATOM 402 CA ASN A 25 0.259 0.079 -11.207 1.00 0.00 C ATOM 403 C ASN A 25 0.016 -0.141 -9.708 1.00 0.00 C ATOM 404 O ASN A 25 0.669 -0.994 -9.111 1.00 0.00 O ATOM 405 CB ASN A 25 1.069 1.368 -11.426 1.00 0.00 C ATOM 406 CG ASN A 25 1.770 1.405 -12.776 1.00 0.00 C ATOM 407 OD1 ASN A 25 2.822 0.804 -12.956 1.00 0.00 O ATOM 408 ND2 ASN A 25 1.229 2.115 -13.750 1.00 0.00 N ATOM 0 H ASN A 25 -1.191 1.033 -12.380 1.00 0.00 H new ATOM 0 HA ASN A 25 0.832 -0.767 -11.586 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.404 2.227 -11.344 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.812 1.463 -10.634 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.688 2.165 -14.660 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.353 2.613 -13.592 1.00 0.00 H new ATOM 415 N TRP A 26 -0.956 0.559 -9.108 1.00 0.00 N ATOM 416 CA TRP A 26 -1.271 0.437 -7.684 1.00 0.00 C ATOM 417 C TRP A 26 -1.747 -0.971 -7.307 1.00 0.00 C ATOM 418 O TRP A 26 -1.188 -1.563 -6.383 1.00 0.00 O ATOM 419 CB TRP A 26 -2.287 1.515 -7.283 1.00 0.00 C ATOM 420 CG TRP A 26 -1.712 2.880 -7.053 1.00 0.00 C ATOM 421 CD1 TRP A 26 -1.994 3.997 -7.761 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.797 3.306 -5.994 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.342 5.081 -7.204 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.625 4.720 -6.083 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.120 2.642 -4.947 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.129 5.446 -5.148 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.660 3.356 -4.017 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.774 4.756 -4.106 1.00 0.00 C ATOM 0 H TRP A 26 -1.547 1.228 -9.602 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.353 0.598 -7.119 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.046 1.584 -8.063 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.794 1.194 -6.373 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.633 4.036 -8.631 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.386 6.030 -7.576 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.202 1.569 -4.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.213 6.520 -5.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.175 2.825 -3.230 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.355 5.299 -3.376 1.00 0.00 H new ATOM 439 N VAL A 27 -2.702 -1.556 -8.040 1.00 0.00 N ATOM 440 CA VAL A 27 -3.174 -2.919 -7.716 1.00 0.00 C ATOM 441 C VAL A 27 -2.094 -3.974 -7.972 1.00 0.00 C ATOM 442 O VAL A 27 -1.965 -4.905 -7.186 1.00 0.00 O ATOM 443 CB VAL A 27 -4.509 -3.326 -8.380 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.592 -2.268 -8.127 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.392 -3.640 -9.879 1.00 0.00 C ATOM 0 H VAL A 27 -3.158 -1.124 -8.844 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.385 -2.879 -6.647 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.802 -4.261 -7.903 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.522 -2.578 -8.604 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.753 -2.161 -7.054 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.271 -1.313 -8.543 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.371 -3.917 -10.270 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.026 -2.760 -10.408 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.696 -4.466 -10.024 1.00 0.00 H new ATOM 455 N CYS A 28 -1.258 -3.802 -9.005 1.00 0.00 N ATOM 456 CA CYS A 28 -0.172 -4.741 -9.319 1.00 0.00 C ATOM 457 C CYS A 28 0.986 -4.670 -8.305 1.00 0.00 C ATOM 458 O CYS A 28 1.586 -5.696 -7.978 1.00 0.00 O ATOM 459 CB CYS A 28 0.282 -4.476 -10.756 1.00 0.00 C ATOM 460 SG CYS A 28 1.224 -5.817 -11.523 1.00 0.00 S ATOM 0 H CYS A 28 -1.315 -3.010 -9.645 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.541 -5.764 -9.239 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.598 -4.275 -11.367 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.891 -3.572 -10.767 1.00 0.00 H new ATOM 0 HG CYS A 28 2.077 -6.294 -10.665 1.00 0.00 H new ATOM 465 N LEU A 29 1.239 -3.480 -7.744 1.00 0.00 N ATOM 466 CA LEU A 29 2.138 -3.232 -6.609 1.00 0.00 C ATOM 467 C LEU A 29 1.581 -3.897 -5.347 1.00 0.00 C ATOM 468 O LEU A 29 2.263 -4.714 -4.733 1.00 0.00 O ATOM 469 CB LEU A 29 2.313 -1.698 -6.492 1.00 0.00 C ATOM 470 CG LEU A 29 3.201 -1.131 -5.361 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.465 0.351 -5.672 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.556 -1.206 -3.967 1.00 0.00 C ATOM 0 H LEU A 29 0.802 -2.624 -8.085 1.00 0.00 H new ATOM 0 HA LEU A 29 3.123 -3.675 -6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.717 -1.339 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.321 -1.261 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 29 4.107 -1.736 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.091 0.781 -4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.974 0.436 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.518 0.888 -5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.239 -0.789 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.627 -0.636 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.344 -2.246 -3.720 1.00 0.00 H new ATOM 484 N VAL A 30 0.331 -3.596 -4.988 1.00 0.00 N ATOM 485 CA VAL A 30 -0.332 -4.127 -3.782 1.00 0.00 C ATOM 486 C VAL A 30 -0.420 -5.661 -3.805 1.00 0.00 C ATOM 487 O VAL A 30 -0.160 -6.302 -2.787 1.00 0.00 O ATOM 488 CB VAL A 30 -1.727 -3.483 -3.613 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.632 -4.236 -2.629 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.584 -2.028 -3.133 1.00 0.00 C ATOM 0 H VAL A 30 -0.262 -2.968 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 30 0.278 -3.862 -2.918 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.199 -3.527 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.594 -3.729 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.784 -5.256 -2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.161 -4.258 -1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.573 -1.584 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.064 -2.010 -2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.014 -1.457 -3.866 1.00 0.00 H new ATOM 500 N GLU A 31 -0.720 -6.257 -4.963 1.00 0.00 N ATOM 501 CA GLU A 31 -0.734 -7.715 -5.141 1.00 0.00 C ATOM 502 C GLU A 31 0.641 -8.365 -4.903 1.00 0.00 C ATOM 503 O GLU A 31 0.702 -9.485 -4.399 1.00 0.00 O ATOM 504 CB GLU A 31 -1.226 -8.063 -6.557 1.00 0.00 C ATOM 505 CG GLU A 31 -2.751 -7.954 -6.654 1.00 0.00 C ATOM 506 CD GLU A 31 -3.307 -8.036 -8.079 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.584 -8.385 -9.036 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.529 -7.816 -8.233 1.00 0.00 O ATOM 0 H GLU A 31 -0.961 -5.740 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.414 -8.116 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.764 -7.392 -7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.914 -9.075 -6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.198 -8.750 -6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.064 -7.009 -6.210 1.00 0.00 H new ATOM 515 N HIS A 32 1.746 -7.675 -5.201 1.00 0.00 N ATOM 516 CA HIS A 32 3.100 -8.184 -4.951 1.00 0.00 C ATOM 517 C HIS A 32 3.610 -7.906 -3.520 1.00 0.00 C ATOM 518 O HIS A 32 4.391 -8.692 -2.979 1.00 0.00 O ATOM 519 CB HIS A 32 4.044 -7.591 -6.002 1.00 0.00 C ATOM 520 CG HIS A 32 5.242 -8.464 -6.258 1.00 0.00 C ATOM 521 ND1 HIS A 32 6.492 -8.344 -5.651 1.00 0.00 N ATOM 522 CD2 HIS A 32 5.267 -9.517 -7.121 1.00 0.00 C ATOM 523 CE1 HIS A 32 7.246 -9.320 -6.182 1.00 0.00 C ATOM 524 NE2 HIS A 32 6.539 -10.043 -7.068 1.00 0.00 N ATOM 0 H HIS A 32 1.728 -6.747 -5.623 1.00 0.00 H new ATOM 0 HA HIS A 32 3.071 -9.270 -5.035 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.499 -7.445 -6.934 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.379 -6.608 -5.672 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.448 -9.871 -7.729 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.281 -9.500 -5.931 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.883 -10.839 -7.605 1.00 0.00 H new ATOM 532 N GLU A 33 3.146 -6.816 -2.897 1.00 0.00 N ATOM 533 CA GLU A 33 3.542 -6.416 -1.545 1.00 0.00 C ATOM 534 C GLU A 33 2.755 -7.188 -0.472 1.00 0.00 C ATOM 535 O GLU A 33 3.350 -7.897 0.337 1.00 0.00 O ATOM 536 CB GLU A 33 3.385 -4.893 -1.362 1.00 0.00 C ATOM 537 CG GLU A 33 4.427 -4.056 -2.125 1.00 0.00 C ATOM 538 CD GLU A 33 5.884 -4.272 -1.674 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.129 -4.645 -0.503 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.796 -4.041 -2.500 1.00 0.00 O ATOM 0 H GLU A 33 2.475 -6.179 -3.326 1.00 0.00 H new ATOM 0 HA GLU A 33 4.594 -6.669 -1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.388 -4.600 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.453 -4.657 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.352 -4.288 -3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.179 -3.001 -2.011 1.00 0.00 H new ATOM 547 N SER A 34 1.422 -7.095 -0.455 1.00 0.00 N ATOM 548 CA SER A 34 0.580 -7.688 0.600 1.00 0.00 C ATOM 549 C SER A 34 -0.313 -8.836 0.116 1.00 0.00 C ATOM 550 O SER A 34 -0.941 -9.507 0.934 1.00 0.00 O ATOM 551 CB SER A 34 -0.325 -6.610 1.201 1.00 0.00 C ATOM 552 OG SER A 34 -1.253 -6.146 0.233 1.00 0.00 O ATOM 0 H SER A 34 0.890 -6.605 -1.174 1.00 0.00 H new ATOM 0 HA SER A 34 1.273 -8.099 1.334 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.859 -7.013 2.062 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.280 -5.778 1.562 1.00 0.00 H new ATOM 0 HG SER A 34 -1.157 -5.177 0.126 1.00 0.00 H new ATOM 558 N SER A 35 -0.407 -9.046 -1.198 1.00 0.00 N ATOM 559 CA SER A 35 -1.372 -9.943 -1.851 1.00 0.00 C ATOM 560 C SER A 35 -2.829 -9.446 -1.729 1.00 0.00 C ATOM 561 O SER A 35 -3.760 -10.254 -1.793 1.00 0.00 O ATOM 562 CB SER A 35 -1.264 -11.404 -1.372 1.00 0.00 C ATOM 563 OG SER A 35 0.072 -11.863 -1.180 1.00 0.00 O ATOM 0 H SER A 35 0.208 -8.580 -1.865 1.00 0.00 H new ATOM 0 HA SER A 35 -1.097 -9.923 -2.906 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.809 -11.507 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.756 -12.050 -2.099 1.00 0.00 H new ATOM 0 HG SER A 35 0.057 -12.794 -0.875 1.00 0.00 H new ATOM 569 N ARG A 36 -3.038 -8.131 -1.525 1.00 0.00 N ATOM 570 CA ARG A 36 -4.353 -7.503 -1.302 1.00 0.00 C ATOM 571 C ARG A 36 -4.946 -7.867 0.072 1.00 0.00 C ATOM 572 O ARG A 36 -6.166 -7.909 0.229 1.00 0.00 O ATOM 573 CB ARG A 36 -5.363 -7.797 -2.437 1.00 0.00 C ATOM 574 CG ARG A 36 -4.785 -7.766 -3.860 1.00 0.00 C ATOM 575 CD ARG A 36 -5.894 -7.793 -4.924 1.00 0.00 C ATOM 576 NE ARG A 36 -6.574 -9.099 -4.927 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.559 -10.036 -5.867 1.00 0.00 C ATOM 578 NH1 ARG A 36 -6.006 -9.867 -7.049 1.00 0.00 N ATOM 579 NH2 ARG A 36 -7.127 -11.194 -5.614 1.00 0.00 N ATOM 0 H ARG A 36 -2.273 -7.457 -1.511 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.169 -6.429 -1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.803 -8.779 -2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.173 -7.070 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.180 -6.868 -3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.123 -8.620 -4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.616 -7.001 -4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.467 -7.596 -5.908 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.129 -9.311 -4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.559 -8.980 -7.281 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.024 -10.623 -7.733 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.568 -11.359 -4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.127 -11.928 -6.322 1.00 0.00 H new ATOM 593 N ASP A 37 -4.104 -8.131 1.073 1.00 0.00 N ATOM 594 CA ASP A 37 -4.502 -8.580 2.418 1.00 0.00 C ATOM 595 C ASP A 37 -4.002 -7.616 3.500 1.00 0.00 C ATOM 596 O ASP A 37 -2.790 -7.439 3.659 1.00 0.00 O ATOM 597 CB ASP A 37 -3.961 -9.999 2.663 1.00 0.00 C ATOM 598 CG ASP A 37 -4.332 -10.539 4.051 1.00 0.00 C ATOM 599 OD1 ASP A 37 -5.491 -10.329 4.480 1.00 0.00 O ATOM 600 OD2 ASP A 37 -3.465 -11.177 4.690 1.00 0.00 O ATOM 0 H ASP A 37 -3.093 -8.037 0.972 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.591 -8.593 2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.353 -10.670 1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.876 -9.994 2.557 1.00 0.00 H new ATOM 605 N THR A 38 -4.923 -6.985 4.248 1.00 0.00 N ATOM 606 CA THR A 38 -4.539 -5.998 5.276 1.00 0.00 C ATOM 607 C THR A 38 -3.806 -6.655 6.440 1.00 0.00 C ATOM 608 O THR A 38 -2.968 -6.019 7.063 1.00 0.00 O ATOM 609 CB THR A 38 -5.703 -5.167 5.830 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.679 -5.971 6.437 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.402 -4.328 4.771 1.00 0.00 C ATOM 0 H THR A 38 -5.928 -7.137 4.163 1.00 0.00 H new ATOM 0 HA THR A 38 -3.877 -5.311 4.749 1.00 0.00 H new ATOM 0 HB THR A 38 -5.238 -4.507 6.562 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.331 -5.403 6.898 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.215 -3.766 5.230 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.688 -3.635 4.326 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.805 -4.981 3.997 1.00 0.00 H new ATOM 619 N SER A 39 -4.063 -7.935 6.705 1.00 0.00 N ATOM 620 CA SER A 39 -3.457 -8.688 7.809 1.00 0.00 C ATOM 621 C SER A 39 -1.986 -9.086 7.567 1.00 0.00 C ATOM 622 O SER A 39 -1.340 -9.642 8.460 1.00 0.00 O ATOM 623 CB SER A 39 -4.290 -9.949 8.080 1.00 0.00 C ATOM 624 OG SER A 39 -5.626 -9.642 8.457 1.00 0.00 O ATOM 0 H SER A 39 -4.711 -8.492 6.148 1.00 0.00 H new ATOM 0 HA SER A 39 -3.454 -8.022 8.672 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.301 -10.573 7.187 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.817 -10.532 8.870 1.00 0.00 H new ATOM 0 HG SER A 39 -6.120 -10.473 8.618 1.00 0.00 H new ATOM 630 N LYS A 40 -1.431 -8.828 6.375 1.00 0.00 N ATOM 631 CA LYS A 40 -0.088 -9.267 5.987 1.00 0.00 C ATOM 632 C LYS A 40 1.031 -8.442 6.661 1.00 0.00 C ATOM 633 O LYS A 40 0.927 -7.217 6.805 1.00 0.00 O ATOM 634 CB LYS A 40 0.008 -9.226 4.448 1.00 0.00 C ATOM 635 CG LYS A 40 1.204 -10.002 3.866 1.00 0.00 C ATOM 636 CD LYS A 40 1.148 -11.532 4.038 1.00 0.00 C ATOM 637 CE LYS A 40 -0.129 -12.201 3.496 1.00 0.00 C ATOM 638 NZ LYS A 40 -0.291 -12.045 2.027 1.00 0.00 N ATOM 0 H LYS A 40 -1.911 -8.301 5.645 1.00 0.00 H new ATOM 0 HA LYS A 40 0.066 -10.287 6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.912 -9.631 4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.074 -8.186 4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.279 -9.776 2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.117 -9.634 4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.011 -11.971 3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.241 -11.767 5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.108 -13.263 3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.997 -11.774 3.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.057 -12.665 1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.526 -11.056 1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.596 -12.304 1.550 1.00 0.00 H new ATOM 652 N THR A 41 2.148 -9.107 6.980 1.00 0.00 N ATOM 653 CA THR A 41 3.375 -8.521 7.550 1.00 0.00 C ATOM 654 C THR A 41 4.624 -9.222 7.043 1.00 0.00 C ATOM 655 O THR A 41 4.577 -10.396 6.678 1.00 0.00 O ATOM 656 CB THR A 41 3.397 -8.561 9.088 1.00 0.00 C ATOM 657 OG1 THR A 41 3.095 -9.860 9.550 1.00 0.00 O ATOM 658 CG2 THR A 41 2.448 -7.586 9.775 1.00 0.00 C ATOM 0 H THR A 41 2.228 -10.115 6.843 1.00 0.00 H new ATOM 0 HA THR A 41 3.370 -7.482 7.222 1.00 0.00 H new ATOM 0 HB THR A 41 4.410 -8.258 9.352 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.114 -9.871 10.530 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.538 -7.691 10.856 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.703 -6.566 9.487 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.423 -7.802 9.474 1.00 0.00 H new ATOM 666 N ASN A 42 5.749 -8.508 7.092 1.00 0.00 N ATOM 667 CA ASN A 42 7.074 -8.999 6.705 1.00 0.00 C ATOM 668 C ASN A 42 8.183 -8.353 7.557 1.00 0.00 C ATOM 669 O ASN A 42 8.201 -7.133 7.730 1.00 0.00 O ATOM 670 CB ASN A 42 7.302 -8.711 5.211 1.00 0.00 C ATOM 671 CG ASN A 42 6.587 -9.696 4.291 1.00 0.00 C ATOM 672 OD1 ASN A 42 7.046 -10.813 4.075 1.00 0.00 O ATOM 673 ND2 ASN A 42 5.468 -9.310 3.704 1.00 0.00 N ATOM 0 H ASN A 42 5.765 -7.540 7.413 1.00 0.00 H new ATOM 0 HA ASN A 42 7.115 -10.074 6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.960 -7.701 4.986 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.371 -8.739 5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.982 -9.942 3.068 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.091 -8.380 3.887 1.00 0.00 H new ATOM 680 N THR A 43 9.105 -9.159 8.098 1.00 0.00 N ATOM 681 CA THR A 43 10.234 -8.709 8.942 1.00 0.00 C ATOM 682 C THR A 43 11.451 -8.399 8.071 1.00 0.00 C ATOM 683 O THR A 43 11.705 -9.095 7.088 1.00 0.00 O ATOM 684 CB THR A 43 10.595 -9.785 9.975 1.00 0.00 C ATOM 685 OG1 THR A 43 9.419 -10.266 10.591 1.00 0.00 O ATOM 686 CG2 THR A 43 11.494 -9.244 11.088 1.00 0.00 C ATOM 0 H THR A 43 9.092 -10.170 7.961 1.00 0.00 H new ATOM 0 HA THR A 43 9.931 -7.804 9.469 1.00 0.00 H new ATOM 0 HB THR A 43 11.123 -10.571 9.435 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.652 -10.954 11.249 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.721 -10.043 11.793 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.421 -8.867 10.656 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.981 -8.435 11.609 1.00 0.00 H new ATOM 694 N ASN A 44 12.222 -7.378 8.447 1.00 0.00 N ATOM 695 CA ASN A 44 13.446 -6.946 7.761 1.00 0.00 C ATOM 696 C ASN A 44 14.707 -7.332 8.556 1.00 0.00 C ATOM 697 O ASN A 44 14.668 -7.482 9.780 1.00 0.00 O ATOM 698 CB ASN A 44 13.407 -5.422 7.540 1.00 0.00 C ATOM 699 CG ASN A 44 12.213 -4.979 6.701 1.00 0.00 C ATOM 700 OD1 ASN A 44 12.298 -4.850 5.486 1.00 0.00 O ATOM 701 ND2 ASN A 44 11.084 -4.733 7.334 1.00 0.00 N ATOM 0 H ASN A 44 12.007 -6.808 9.265 1.00 0.00 H new ATOM 0 HA ASN A 44 13.492 -7.455 6.798 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.373 -4.920 8.507 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.328 -5.107 7.049 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.262 -4.430 6.812 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.032 -4.846 8.346 1.00 0.00 H new ATOM 708 N ARG A 45 15.858 -7.408 7.871 1.00 0.00 N ATOM 709 CA ARG A 45 17.174 -7.714 8.478 1.00 0.00 C ATOM 710 C ARG A 45 17.618 -6.674 9.524 1.00 0.00 C ATOM 711 O ARG A 45 18.381 -6.986 10.440 1.00 0.00 O ATOM 712 CB ARG A 45 18.250 -7.840 7.384 1.00 0.00 C ATOM 713 CG ARG A 45 17.908 -8.922 6.349 1.00 0.00 C ATOM 714 CD ARG A 45 19.053 -9.117 5.347 1.00 0.00 C ATOM 715 NE ARG A 45 18.712 -10.128 4.328 1.00 0.00 N ATOM 716 CZ ARG A 45 18.844 -11.447 4.431 1.00 0.00 C ATOM 717 NH1 ARG A 45 19.311 -12.025 5.520 1.00 0.00 N ATOM 718 NH2 ARG A 45 18.501 -12.215 3.420 1.00 0.00 N ATOM 0 H ARG A 45 15.908 -7.257 6.863 1.00 0.00 H new ATOM 0 HA ARG A 45 17.057 -8.663 9.002 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.365 -6.881 6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.209 -8.073 7.846 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.703 -9.864 6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.999 -8.644 5.816 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.277 -8.168 4.859 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.954 -9.423 5.878 1.00 0.00 H new ATOM 0 HE ARG A 45 18.334 -9.777 3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 45 19.586 -11.457 6.321 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.398 -13.040 5.561 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.136 -11.798 2.564 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.600 -13.228 3.492 1.00 0.00 H new ATOM 732 N ASN A 46 17.093 -5.450 9.416 1.00 0.00 N ATOM 733 CA ASN A 46 17.275 -4.350 10.374 1.00 0.00 C ATOM 734 C ASN A 46 16.563 -4.571 11.735 1.00 0.00 C ATOM 735 O ASN A 46 16.901 -3.912 12.721 1.00 0.00 O ATOM 736 CB ASN A 46 16.772 -3.068 9.682 1.00 0.00 C ATOM 737 CG ASN A 46 16.906 -1.827 10.559 1.00 0.00 C ATOM 738 OD1 ASN A 46 17.999 -1.355 10.844 1.00 0.00 O ATOM 739 ND2 ASN A 46 15.795 -1.274 11.016 1.00 0.00 N ATOM 0 H ASN A 46 16.504 -5.185 8.626 1.00 0.00 H new ATOM 0 HA ASN A 46 18.331 -4.282 10.634 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.331 -2.916 8.759 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.726 -3.198 9.403 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.844 -0.447 11.611 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.889 -1.674 10.773 1.00 0.00 H new ATOM 746 N GLY A 47 15.578 -5.479 11.802 1.00 0.00 N ATOM 747 CA GLY A 47 14.738 -5.740 12.985 1.00 0.00 C ATOM 748 C GLY A 47 13.412 -4.966 13.000 1.00 0.00 C ATOM 749 O GLY A 47 12.593 -5.179 13.892 1.00 0.00 O ATOM 0 H GLY A 47 15.335 -6.073 11.009 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.523 -6.807 13.035 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.304 -5.486 13.881 1.00 0.00 H new ATOM 753 N SER A 48 13.179 -4.090 12.023 1.00 0.00 N ATOM 754 CA SER A 48 11.889 -3.435 11.771 1.00 0.00 C ATOM 755 C SER A 48 10.956 -4.342 10.944 1.00 0.00 C ATOM 756 O SER A 48 11.398 -5.265 10.252 1.00 0.00 O ATOM 757 CB SER A 48 12.131 -2.084 11.073 1.00 0.00 C ATOM 758 OG SER A 48 13.007 -2.211 9.954 1.00 0.00 O ATOM 0 H SER A 48 13.903 -3.806 11.363 1.00 0.00 H new ATOM 0 HA SER A 48 11.389 -3.253 12.722 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.178 -1.671 10.743 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.555 -1.378 11.787 1.00 0.00 H new ATOM 0 HG SER A 48 13.134 -1.333 9.537 1.00 0.00 H new ATOM 764 N LYS A 49 9.647 -4.088 10.995 1.00 0.00 N ATOM 765 CA LYS A 49 8.614 -4.890 10.324 1.00 0.00 C ATOM 766 C LYS A 49 7.699 -4.006 9.458 1.00 0.00 C ATOM 767 O LYS A 49 7.512 -2.814 9.716 1.00 0.00 O ATOM 768 CB LYS A 49 7.818 -5.688 11.378 1.00 0.00 C ATOM 769 CG LYS A 49 7.212 -7.013 10.889 1.00 0.00 C ATOM 770 CD LYS A 49 6.269 -7.582 11.962 1.00 0.00 C ATOM 771 CE LYS A 49 5.871 -9.045 11.711 1.00 0.00 C ATOM 772 NZ LYS A 49 6.953 -9.995 12.076 1.00 0.00 N ATOM 0 H LYS A 49 9.263 -3.300 11.516 1.00 0.00 H new ATOM 0 HA LYS A 49 9.092 -5.598 9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.476 -5.899 12.221 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.012 -5.057 11.753 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.665 -6.852 9.960 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.005 -7.728 10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.752 -7.507 12.936 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.368 -6.970 12.005 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.976 -9.279 12.287 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.617 -9.174 10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.576 -10.964 12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.722 -9.929 11.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.319 -9.758 13.020 1.00 0.00 H new ATOM 786 N ASP A 50 7.139 -4.623 8.427 1.00 0.00 N ATOM 787 CA ASP A 50 6.234 -4.032 7.446 1.00 0.00 C ATOM 788 C ASP A 50 4.790 -4.463 7.737 1.00 0.00 C ATOM 789 O ASP A 50 4.566 -5.607 8.131 1.00 0.00 O ATOM 790 CB ASP A 50 6.623 -4.520 6.042 1.00 0.00 C ATOM 791 CG ASP A 50 8.078 -4.264 5.613 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.762 -3.387 6.192 1.00 0.00 O ATOM 793 OD2 ASP A 50 8.541 -4.964 4.682 1.00 0.00 O ATOM 0 H ASP A 50 7.314 -5.610 8.240 1.00 0.00 H new ATOM 0 HA ASP A 50 6.307 -2.946 7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.433 -5.592 5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.963 -4.042 5.318 1.00 0.00 H new ATOM 798 N TYR A 51 3.818 -3.570 7.529 1.00 0.00 N ATOM 799 CA TYR A 51 2.419 -3.743 7.951 1.00 0.00 C ATOM 800 C TYR A 51 1.401 -3.222 6.922 1.00 0.00 C ATOM 801 O TYR A 51 1.635 -2.221 6.239 1.00 0.00 O ATOM 802 CB TYR A 51 2.198 -2.989 9.273 1.00 0.00 C ATOM 803 CG TYR A 51 3.026 -3.454 10.452 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.310 -2.919 10.663 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.481 -4.351 11.390 1.00 0.00 C ATOM 806 CE1 TYR A 51 5.047 -3.279 11.803 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.214 -4.716 12.536 1.00 0.00 C ATOM 808 CZ TYR A 51 4.502 -4.174 12.749 1.00 0.00 C ATOM 809 OH TYR A 51 5.217 -4.510 13.858 1.00 0.00 O ATOM 0 H TYR A 51 3.983 -2.684 7.051 1.00 0.00 H new ATOM 0 HA TYR A 51 2.254 -4.815 8.060 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.405 -1.932 9.104 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.144 -3.068 9.541 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.730 -2.229 9.946 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.495 -4.762 11.230 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.035 -2.870 11.957 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.793 -5.408 13.250 1.00 0.00 H new ATOM 0 HH TYR A 51 4.697 -5.134 14.406 1.00 0.00 H new ATOM 819 N GLY A 52 0.236 -3.870 6.837 1.00 0.00 N ATOM 820 CA GLY A 52 -0.910 -3.376 6.066 1.00 0.00 C ATOM 821 C GLY A 52 -0.789 -3.582 4.563 1.00 0.00 C ATOM 822 O GLY A 52 0.175 -4.158 4.061 1.00 0.00 O ATOM 0 H GLY A 52 0.059 -4.759 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.812 -3.876 6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.036 -2.312 6.266 1.00 0.00 H new ATOM 826 N LEU A 53 -1.765 -3.073 3.813 1.00 0.00 N ATOM 827 CA LEU A 53 -1.909 -3.393 2.389 1.00 0.00 C ATOM 828 C LEU A 53 -0.771 -2.917 1.474 1.00 0.00 C ATOM 829 O LEU A 53 -0.562 -3.484 0.403 1.00 0.00 O ATOM 830 CB LEU A 53 -3.253 -2.824 1.896 1.00 0.00 C ATOM 831 CG LEU A 53 -3.910 -3.762 0.875 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.787 -4.774 1.597 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.784 -3.006 -0.110 1.00 0.00 C ATOM 0 H LEU A 53 -2.474 -2.432 4.169 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.869 -4.480 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.922 -2.678 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.093 -1.845 1.444 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.106 -4.255 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.252 -5.438 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.177 -5.360 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.562 -4.250 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.229 -3.708 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.574 -2.484 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.177 -2.282 -0.654 1.00 0.00 H new ATOM 845 N PHE A 54 -0.011 -1.918 1.917 1.00 0.00 N ATOM 846 CA PHE A 54 1.145 -1.375 1.204 1.00 0.00 C ATOM 847 C PHE A 54 2.472 -1.771 1.881 1.00 0.00 C ATOM 848 O PHE A 54 3.515 -1.242 1.511 1.00 0.00 O ATOM 849 CB PHE A 54 0.969 0.148 1.064 1.00 0.00 C ATOM 850 CG PHE A 54 -0.288 0.574 0.325 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.515 0.652 1.010 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.239 0.897 -1.044 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.686 1.033 0.339 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.409 1.303 -1.712 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.633 1.369 -1.024 1.00 0.00 C ATOM 0 H PHE A 54 -0.186 -1.450 2.806 1.00 0.00 H new ATOM 0 HA PHE A 54 1.197 -1.807 0.205 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.958 0.592 2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.836 0.554 0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.555 0.416 2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.696 0.833 -1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.626 1.068 0.869 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.366 1.565 -2.759 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.530 1.677 -1.541 1.00 0.00 H new ATOM 865 N GLN A 55 2.438 -2.674 2.873 1.00 0.00 N ATOM 866 CA GLN A 55 3.600 -3.175 3.621 1.00 0.00 C ATOM 867 C GLN A 55 4.480 -2.019 4.144 1.00 0.00 C ATOM 868 O GLN A 55 5.660 -1.883 3.815 1.00 0.00 O ATOM 869 CB GLN A 55 4.376 -4.211 2.782 1.00 0.00 C ATOM 870 CG GLN A 55 3.605 -5.519 2.557 1.00 0.00 C ATOM 871 CD GLN A 55 3.265 -6.247 3.857 1.00 0.00 C ATOM 872 OE1 GLN A 55 4.089 -6.911 4.469 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.050 -6.133 4.350 1.00 0.00 N ATOM 0 H GLN A 55 1.563 -3.092 3.189 1.00 0.00 H new ATOM 0 HA GLN A 55 3.248 -3.696 4.511 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.622 -3.773 1.815 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.320 -4.436 3.279 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.683 -5.302 2.018 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.198 -6.178 1.923 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.348 -5.583 3.854 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.810 -6.594 5.228 1.00 0.00 H new ATOM 882 N ILE A 56 3.867 -1.139 4.936 1.00 0.00 N ATOM 883 CA ILE A 56 4.455 0.113 5.424 1.00 0.00 C ATOM 884 C ILE A 56 5.291 -0.170 6.678 1.00 0.00 C ATOM 885 O ILE A 56 4.844 -0.892 7.568 1.00 0.00 O ATOM 886 CB ILE A 56 3.341 1.158 5.684 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.380 1.251 4.471 1.00 0.00 C ATOM 888 CG2 ILE A 56 3.979 2.520 5.950 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.286 2.321 4.546 1.00 0.00 C ATOM 0 H ILE A 56 2.913 -1.282 5.268 1.00 0.00 H new ATOM 0 HA ILE A 56 5.119 0.533 4.669 1.00 0.00 H new ATOM 0 HB ILE A 56 2.762 0.847 6.554 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.976 1.434 3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.900 0.281 4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.198 3.258 6.133 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.628 2.454 6.823 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.567 2.822 5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.680 2.286 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.653 2.134 5.413 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.745 3.305 4.638 1.00 0.00 H new ATOM 901 N ASN A 57 6.503 0.383 6.754 1.00 0.00 N ATOM 902 CA ASN A 57 7.479 0.028 7.785 1.00 0.00 C ATOM 903 C ASN A 57 7.430 0.960 9.009 1.00 0.00 C ATOM 904 O ASN A 57 7.325 2.185 8.877 1.00 0.00 O ATOM 905 CB ASN A 57 8.873 0.018 7.153 1.00 0.00 C ATOM 906 CG ASN A 57 9.928 -0.535 8.101 1.00 0.00 C ATOM 907 OD1 ASN A 57 10.476 0.180 8.925 1.00 0.00 O ATOM 908 ND2 ASN A 57 10.243 -1.809 8.011 1.00 0.00 N ATOM 0 H ASN A 57 6.836 1.092 6.100 1.00 0.00 H new ATOM 0 HA ASN A 57 7.229 -0.963 8.164 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.854 -0.582 6.243 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.145 1.032 6.860 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.949 -2.205 8.632 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.781 -2.401 7.320 1.00 0.00 H new ATOM 915 N ASP A 58 7.563 0.368 10.200 1.00 0.00 N ATOM 916 CA ASP A 58 7.466 1.056 11.497 1.00 0.00 C ATOM 917 C ASP A 58 8.564 2.100 11.808 1.00 0.00 C ATOM 918 O ASP A 58 8.467 2.836 12.793 1.00 0.00 O ATOM 919 CB ASP A 58 7.377 0.033 12.635 1.00 0.00 C ATOM 920 CG ASP A 58 8.725 -0.604 13.013 1.00 0.00 C ATOM 921 OD1 ASP A 58 9.078 -1.657 12.436 1.00 0.00 O ATOM 922 OD2 ASP A 58 9.414 -0.066 13.910 1.00 0.00 O ATOM 0 H ASP A 58 7.746 -0.631 10.294 1.00 0.00 H new ATOM 0 HA ASP A 58 6.551 1.643 11.418 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.958 0.520 13.515 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.683 -0.756 12.347 1.00 0.00 H new ATOM 927 N ARG A 59 9.613 2.159 10.983 1.00 0.00 N ATOM 928 CA ARG A 59 10.777 3.032 11.165 1.00 0.00 C ATOM 929 C ARG A 59 10.617 4.417 10.517 1.00 0.00 C ATOM 930 O ARG A 59 11.362 5.336 10.861 1.00 0.00 O ATOM 931 CB ARG A 59 11.992 2.288 10.588 1.00 0.00 C ATOM 932 CG ARG A 59 13.354 2.876 10.971 1.00 0.00 C ATOM 933 CD ARG A 59 14.462 1.917 10.523 1.00 0.00 C ATOM 934 NE ARG A 59 15.749 2.247 11.159 1.00 0.00 N ATOM 935 CZ ARG A 59 16.962 2.136 10.625 1.00 0.00 C ATOM 936 NH1 ARG A 59 17.153 1.750 9.380 1.00 0.00 N ATOM 937 NH2 ARG A 59 18.020 2.417 11.355 1.00 0.00 N ATOM 0 H ARG A 59 9.678 1.583 10.144 1.00 0.00 H new ATOM 0 HA ARG A 59 10.901 3.238 12.228 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.955 1.250 10.920 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.910 2.278 9.501 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.488 3.850 10.501 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.406 3.032 12.048 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.183 0.894 10.774 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.568 1.962 9.439 1.00 0.00 H new ATOM 0 HE ARG A 59 15.705 2.600 12.115 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.354 1.524 8.788 1.00 0.00 H new ATOM 0 HH12 ARG A 59 18.100 1.678 9.008 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.906 2.717 12.323 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.954 2.334 10.953 1.00 0.00 H new ATOM 951 N TYR A 60 9.644 4.594 9.612 1.00 0.00 N ATOM 952 CA TYR A 60 9.570 5.779 8.739 1.00 0.00 C ATOM 953 C TYR A 60 8.184 6.424 8.591 1.00 0.00 C ATOM 954 O TYR A 60 8.065 7.644 8.726 1.00 0.00 O ATOM 955 CB TYR A 60 10.084 5.367 7.348 1.00 0.00 C ATOM 956 CG TYR A 60 11.490 4.789 7.317 1.00 0.00 C ATOM 957 CD1 TYR A 60 12.588 5.557 7.755 1.00 0.00 C ATOM 958 CD2 TYR A 60 11.703 3.472 6.861 1.00 0.00 C ATOM 959 CE1 TYR A 60 13.891 5.025 7.715 1.00 0.00 C ATOM 960 CE2 TYR A 60 13.002 2.931 6.822 1.00 0.00 C ATOM 961 CZ TYR A 60 14.103 3.711 7.241 1.00 0.00 C ATOM 962 OH TYR A 60 15.362 3.191 7.194 1.00 0.00 O ATOM 0 H TYR A 60 8.889 3.925 9.463 1.00 0.00 H new ATOM 0 HA TYR A 60 10.179 6.545 9.218 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.398 4.631 6.929 1.00 0.00 H new ATOM 0 HB3 TYR A 60 10.054 6.239 6.695 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.429 6.560 8.124 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.863 2.874 6.539 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.728 5.621 8.047 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.157 1.921 6.472 1.00 0.00 H new ATOM 0 HH TYR A 60 15.325 2.277 6.843 1.00 0.00 H new ATOM 972 N TRP A 61 7.139 5.629 8.330 1.00 0.00 N ATOM 973 CA TRP A 61 5.828 6.147 7.910 1.00 0.00 C ATOM 974 C TRP A 61 4.700 5.820 8.903 1.00 0.00 C ATOM 975 O TRP A 61 3.891 6.696 9.206 1.00 0.00 O ATOM 976 CB TRP A 61 5.528 5.583 6.520 1.00 0.00 C ATOM 977 CG TRP A 61 6.600 5.674 5.475 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.243 4.609 4.942 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.103 6.843 4.753 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.139 5.036 3.984 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.066 6.400 3.794 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.798 8.223 4.760 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.686 7.275 2.889 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.395 9.107 3.839 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.341 8.638 2.908 1.00 0.00 C ATOM 0 H TRP A 61 7.176 4.612 8.403 1.00 0.00 H new ATOM 0 HA TRP A 61 5.873 7.236 7.884 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.264 4.532 6.636 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.644 6.093 6.137 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.079 3.579 5.224 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.776 4.420 3.479 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.095 8.607 5.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.419 6.906 2.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.125 10.153 3.848 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.800 9.323 2.211 1.00 0.00 H new ATOM 996 N CYS A 62 4.669 4.601 9.455 1.00 0.00 N ATOM 997 CA CYS A 62 3.809 4.217 10.586 1.00 0.00 C ATOM 998 C CYS A 62 4.622 3.939 11.861 1.00 0.00 C ATOM 999 O CYS A 62 5.838 3.798 11.815 1.00 0.00 O ATOM 1000 CB CYS A 62 2.949 3.003 10.216 1.00 0.00 C ATOM 1001 SG CYS A 62 3.846 1.630 9.450 1.00 0.00 S ATOM 0 H CYS A 62 5.254 3.835 9.121 1.00 0.00 H new ATOM 0 HA CYS A 62 3.154 5.061 10.800 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.458 2.637 11.118 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.163 3.328 9.534 1.00 0.00 H new ATOM 0 HG CYS A 62 3.069 0.590 9.378 1.00 0.00 H new ATOM 1006 N SER A 63 3.958 3.880 13.015 1.00 0.00 N ATOM 1007 CA SER A 63 4.579 3.654 14.329 1.00 0.00 C ATOM 1008 C SER A 63 4.077 2.367 14.999 1.00 0.00 C ATOM 1009 O SER A 63 2.880 2.078 14.981 1.00 0.00 O ATOM 1010 CB SER A 63 4.264 4.839 15.242 1.00 0.00 C ATOM 1011 OG SER A 63 5.299 4.994 16.200 1.00 0.00 O ATOM 0 H SER A 63 2.945 3.991 13.068 1.00 0.00 H new ATOM 0 HA SER A 63 5.653 3.552 14.171 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.164 5.749 14.651 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.311 4.679 15.745 1.00 0.00 H new ATOM 0 HG SER A 63 5.095 5.755 16.782 1.00 0.00 H new ATOM 1017 N LYS A 64 4.985 1.591 15.595 1.00 0.00 N ATOM 1018 CA LYS A 64 4.694 0.260 16.172 1.00 0.00 C ATOM 1019 C LYS A 64 4.173 0.266 17.622 1.00 0.00 C ATOM 1020 O LYS A 64 3.725 -0.774 18.115 1.00 0.00 O ATOM 1021 CB LYS A 64 5.917 -0.660 16.045 1.00 0.00 C ATOM 1022 CG LYS A 64 7.180 -0.036 16.649 1.00 0.00 C ATOM 1023 CD LYS A 64 8.136 -1.112 17.165 1.00 0.00 C ATOM 1024 CE LYS A 64 9.434 -0.432 17.599 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.424 -0.361 16.493 1.00 0.00 N ATOM 0 H LYS A 64 5.962 1.867 15.696 1.00 0.00 H new ATOM 0 HA LYS A 64 3.865 -0.125 15.579 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.709 -1.607 16.542 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.093 -0.884 14.993 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.684 0.572 15.897 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.904 0.631 17.466 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.689 -1.647 18.003 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.335 -1.848 16.386 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.214 0.575 17.954 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.866 -0.978 18.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.954 0.532 16.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.084 -1.161 16.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.928 -0.404 15.580 1.00 0.00 H new ATOM 1039 N GLY A 65 4.242 1.408 18.314 1.00 0.00 N ATOM 1040 CA GLY A 65 3.769 1.561 19.697 1.00 0.00 C ATOM 1041 C GLY A 65 2.242 1.645 19.785 1.00 0.00 C ATOM 1042 O GLY A 65 1.538 1.426 18.800 1.00 0.00 O ATOM 0 H GLY A 65 4.634 2.266 17.925 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.119 0.718 20.293 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.205 2.461 20.130 1.00 0.00 H new ATOM 1046 N ALA A 66 1.716 1.979 20.966 1.00 0.00 N ATOM 1047 CA ALA A 66 0.271 2.058 21.235 1.00 0.00 C ATOM 1048 C ALA A 66 -0.398 3.368 20.752 1.00 0.00 C ATOM 1049 O ALA A 66 -1.594 3.569 20.962 1.00 0.00 O ATOM 1050 CB ALA A 66 0.055 1.812 22.735 1.00 0.00 C ATOM 0 H ALA A 66 2.289 2.207 21.779 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.227 1.287 20.647 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.010 1.865 22.963 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.434 0.825 23.000 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.587 2.571 23.309 1.00 0.00 H new ATOM 1056 N SER A 67 0.345 4.246 20.077 1.00 0.00 N ATOM 1057 CA SER A 67 -0.103 5.565 19.611 1.00 0.00 C ATOM 1058 C SER A 67 0.623 5.954 18.301 1.00 0.00 C ATOM 1059 O SER A 67 1.804 5.609 18.149 1.00 0.00 O ATOM 1060 CB SER A 67 0.178 6.589 20.723 1.00 0.00 C ATOM 1061 OG SER A 67 -0.380 7.860 20.425 1.00 0.00 O ATOM 0 H SER A 67 1.315 4.053 19.828 1.00 0.00 H new ATOM 0 HA SER A 67 -1.171 5.543 19.395 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.232 6.224 21.665 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.255 6.688 20.861 1.00 0.00 H new ATOM 0 HG SER A 67 -0.182 8.483 21.155 1.00 0.00 H new ATOM 1067 N PRO A 68 -0.045 6.637 17.342 1.00 0.00 N ATOM 1068 CA PRO A 68 0.577 7.110 16.103 1.00 0.00 C ATOM 1069 C PRO A 68 1.598 8.229 16.373 1.00 0.00 C ATOM 1070 O PRO A 68 1.554 8.886 17.415 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.584 7.608 15.235 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.627 8.054 16.255 1.00 0.00 C ATOM 1073 CD PRO A 68 -1.453 7.023 17.366 1.00 0.00 C ATOM 0 HA PRO A 68 1.140 6.318 15.609 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.278 8.431 14.589 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.968 6.820 14.587 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.443 9.068 16.609 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.635 8.039 15.840 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.726 7.443 18.334 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.097 6.159 17.201 1.00 0.00 H new ATOM 1081 N GLY A 69 2.519 8.463 15.426 1.00 0.00 N ATOM 1082 CA GLY A 69 3.610 9.433 15.617 1.00 0.00 C ATOM 1083 C GLY A 69 4.756 9.292 14.621 1.00 0.00 C ATOM 1084 O GLY A 69 5.843 8.838 14.978 1.00 0.00 O ATOM 0 H GLY A 69 2.531 7.994 14.520 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.202 10.441 15.543 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.006 9.323 16.627 1.00 0.00 H new ATOM 1088 N LYS A 70 4.497 9.696 13.375 1.00 0.00 N ATOM 1089 CA LYS A 70 5.413 9.676 12.219 1.00 0.00 C ATOM 1090 C LYS A 70 5.015 10.748 11.185 1.00 0.00 C ATOM 1091 O LYS A 70 4.029 11.465 11.365 1.00 0.00 O ATOM 1092 CB LYS A 70 5.381 8.279 11.556 1.00 0.00 C ATOM 1093 CG LYS A 70 6.012 7.121 12.331 1.00 0.00 C ATOM 1094 CD LYS A 70 7.515 7.263 12.596 1.00 0.00 C ATOM 1095 CE LYS A 70 8.068 6.082 13.408 1.00 0.00 C ATOM 1096 NZ LYS A 70 7.705 6.164 14.850 1.00 0.00 N ATOM 0 H LYS A 70 3.582 10.072 13.124 1.00 0.00 H new ATOM 0 HA LYS A 70 6.421 9.894 12.573 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.340 8.024 11.356 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.882 8.352 10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.498 7.020 13.287 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.841 6.197 11.778 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.046 7.331 11.647 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.703 8.193 13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.687 5.149 12.993 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.153 6.054 13.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.447 5.711 15.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.614 7.162 15.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.800 5.677 15.008 1.00 0.00 H new ATOM 1110 N ASP A 71 5.727 10.791 10.056 1.00 0.00 N ATOM 1111 CA ASP A 71 5.456 11.667 8.904 1.00 0.00 C ATOM 1112 C ASP A 71 4.038 11.506 8.309 1.00 0.00 C ATOM 1113 O ASP A 71 3.485 12.467 7.771 1.00 0.00 O ATOM 1114 CB ASP A 71 6.527 11.384 7.840 1.00 0.00 C ATOM 1115 CG ASP A 71 6.372 12.289 6.612 1.00 0.00 C ATOM 1116 OD1 ASP A 71 6.698 13.495 6.701 1.00 0.00 O ATOM 1117 OD2 ASP A 71 5.909 11.795 5.559 1.00 0.00 O ATOM 0 H ASP A 71 6.541 10.194 9.910 1.00 0.00 H new ATOM 0 HA ASP A 71 5.498 12.700 9.249 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.516 11.529 8.274 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.464 10.341 7.531 1.00 0.00 H new ATOM 1122 N CYS A 72 3.427 10.322 8.455 1.00 0.00 N ATOM 1123 CA CYS A 72 2.051 10.029 8.015 1.00 0.00 C ATOM 1124 C CYS A 72 1.030 9.940 9.165 1.00 0.00 C ATOM 1125 O CYS A 72 -0.149 9.696 8.909 1.00 0.00 O ATOM 1126 CB CYS A 72 2.059 8.757 7.162 1.00 0.00 C ATOM 1127 SG CYS A 72 3.226 8.798 5.775 1.00 0.00 S ATOM 0 H CYS A 72 3.884 9.522 8.892 1.00 0.00 H new ATOM 0 HA CYS A 72 1.713 10.875 7.416 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.300 7.907 7.800 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.055 8.588 6.772 1.00 0.00 H new ATOM 0 HG CYS A 72 4.348 8.250 6.136 1.00 0.00 H new ATOM 1132 N ASN A 73 1.457 10.134 10.423 1.00 0.00 N ATOM 1133 CA ASN A 73 0.596 10.274 11.608 1.00 0.00 C ATOM 1134 C ASN A 73 -0.364 9.075 11.800 1.00 0.00 C ATOM 1135 O ASN A 73 -1.575 9.235 11.956 1.00 0.00 O ATOM 1136 CB ASN A 73 -0.090 11.656 11.577 1.00 0.00 C ATOM 1137 CG ASN A 73 -0.703 12.043 12.922 1.00 0.00 C ATOM 1138 OD1 ASN A 73 -1.915 12.106 13.090 1.00 0.00 O ATOM 1139 ND2 ASN A 73 0.118 12.329 13.920 1.00 0.00 N ATOM 0 H ASN A 73 2.449 10.200 10.651 1.00 0.00 H new ATOM 0 HA ASN A 73 1.211 10.241 12.507 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.639 12.412 11.284 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.869 11.653 10.815 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.258 12.602 14.828 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.127 12.277 13.781 1.00 0.00 H new ATOM 1146 N VAL A 74 0.190 7.857 11.759 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.564 6.594 11.734 1.00 0.00 C ATOM 1148 C VAL A 74 0.216 5.460 12.416 1.00 0.00 C ATOM 1149 O VAL A 74 1.445 5.469 12.473 1.00 0.00 O ATOM 1150 CB VAL A 74 -0.989 6.261 10.283 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.206 5.907 9.382 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -2.040 5.146 10.239 1.00 0.00 C ATOM 0 H VAL A 74 1.200 7.717 11.742 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.477 6.710 12.317 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.438 7.172 9.887 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.150 5.682 8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.895 6.751 9.343 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.722 5.036 9.787 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.311 4.942 9.203 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.631 4.242 10.691 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.926 5.459 10.791 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.517 4.500 12.975 1.00 0.00 N ATOM 1163 CA LYS A 75 -0.020 3.376 13.775 1.00 0.00 C ATOM 1164 C LYS A 75 -0.039 2.063 12.963 1.00 0.00 C ATOM 1165 O LYS A 75 -1.027 1.764 12.296 1.00 0.00 O ATOM 1166 CB LYS A 75 -0.927 3.314 15.017 1.00 0.00 C ATOM 1167 CG LYS A 75 -0.344 2.533 16.201 1.00 0.00 C ATOM 1168 CD LYS A 75 -1.301 2.597 17.405 1.00 0.00 C ATOM 1169 CE LYS A 75 -2.550 1.721 17.232 1.00 0.00 C ATOM 1170 NZ LYS A 75 -3.601 2.046 18.232 1.00 0.00 N ATOM 0 H LYS A 75 -1.532 4.482 12.878 1.00 0.00 H new ATOM 0 HA LYS A 75 1.021 3.513 14.068 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.144 4.331 15.342 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.877 2.861 14.734 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.178 1.495 15.914 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.626 2.947 16.476 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.767 2.284 18.302 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.609 3.631 17.562 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.951 1.856 16.228 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.272 0.671 17.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.427 1.432 18.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.227 1.893 19.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.885 3.041 18.126 1.00 0.00 H new ATOM 1184 N CYS A 76 1.024 1.255 13.030 1.00 0.00 N ATOM 1185 CA CYS A 76 1.174 -0.028 12.312 1.00 0.00 C ATOM 1186 C CYS A 76 -0.009 -0.994 12.511 1.00 0.00 C ATOM 1187 O CYS A 76 -0.425 -1.661 11.569 1.00 0.00 O ATOM 1188 CB CYS A 76 2.460 -0.707 12.796 1.00 0.00 C ATOM 1189 SG CYS A 76 3.975 0.221 12.495 1.00 0.00 S ATOM 0 H CYS A 76 1.836 1.479 13.605 1.00 0.00 H new ATOM 0 HA CYS A 76 1.209 0.203 11.247 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.373 -0.893 13.866 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.545 -1.679 12.309 1.00 0.00 H new ATOM 0 HG CYS A 76 3.933 0.747 11.307 1.00 0.00 H new ATOM 1194 N SER A 77 -0.587 -1.043 13.713 1.00 0.00 N ATOM 1195 CA SER A 77 -1.726 -1.928 14.022 1.00 0.00 C ATOM 1196 C SER A 77 -3.050 -1.440 13.395 1.00 0.00 C ATOM 1197 O SER A 77 -3.893 -2.247 13.002 1.00 0.00 O ATOM 1198 CB SER A 77 -1.853 -2.078 15.545 1.00 0.00 C ATOM 1199 OG SER A 77 -2.717 -3.149 15.894 1.00 0.00 O ATOM 0 H SER A 77 -0.283 -0.473 14.503 1.00 0.00 H new ATOM 0 HA SER A 77 -1.526 -2.902 13.574 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.867 -2.249 15.978 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.232 -1.150 15.972 1.00 0.00 H new ATOM 0 HG SER A 77 -2.775 -3.218 16.870 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.207 -0.126 13.184 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.332 0.463 12.445 1.00 0.00 C ATOM 1207 C ASP A 78 -4.247 0.195 10.933 1.00 0.00 C ATOM 1208 O ASP A 78 -5.229 0.406 10.224 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.416 1.975 12.724 1.00 0.00 C ATOM 1210 CG ASP A 78 -5.445 2.313 13.807 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -5.099 2.258 15.011 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -6.596 2.650 13.435 1.00 0.00 O ATOM 0 H ASP A 78 -2.545 0.569 13.528 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.242 -0.020 12.800 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.436 2.340 13.031 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.676 2.498 11.804 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.113 -0.314 10.433 1.00 0.00 N ATOM 1218 CA LEU A 79 -2.978 -0.765 9.044 1.00 0.00 C ATOM 1219 C LEU A 79 -3.477 -2.208 8.848 1.00 0.00 C ATOM 1220 O LEU A 79 -3.712 -2.618 7.712 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.523 -0.619 8.566 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.799 0.701 8.895 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.548 0.707 8.168 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.597 1.941 8.482 1.00 0.00 C ATOM 0 H LEU A 79 -2.261 -0.424 10.983 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.613 -0.123 8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.944 -1.437 8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.509 -0.751 7.484 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.674 0.749 9.977 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.076 1.635 8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.146 -0.140 8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.382 0.631 7.093 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.034 2.838 8.740 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.772 1.919 7.406 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.553 1.949 9.005 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.674 -2.962 9.942 1.00 0.00 N ATOM 1237 CA LEU A 80 -4.129 -4.362 9.947 1.00 0.00 C ATOM 1238 C LEU A 80 -5.660 -4.496 10.103 1.00 0.00 C ATOM 1239 O LEU A 80 -6.168 -5.601 10.318 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.390 -5.148 11.051 1.00 0.00 C ATOM 1241 CG LEU A 80 -1.850 -5.067 11.035 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.302 -5.893 12.208 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.236 -5.555 9.716 1.00 0.00 C ATOM 0 H LEU A 80 -3.515 -2.600 10.882 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.886 -4.787 8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.741 -4.790 12.019 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.678 -6.197 10.975 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.571 -4.018 11.134 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.213 -5.845 12.209 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.684 -5.491 13.146 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.619 -6.930 12.102 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.150 -5.473 9.768 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.514 -6.596 9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.607 -4.944 8.894 1.00 0.00 H new ATOM 1255 N THR A 81 -6.393 -3.377 10.046 1.00 0.00 N ATOM 1256 CA THR A 81 -7.845 -3.289 10.274 1.00 0.00 C ATOM 1257 C THR A 81 -8.650 -3.619 9.012 1.00 0.00 C ATOM 1258 O THR A 81 -8.098 -4.043 7.996 1.00 0.00 O ATOM 1259 CB THR A 81 -8.163 -1.931 10.921 1.00 0.00 C ATOM 1260 OG1 THR A 81 -9.452 -1.988 11.495 1.00 0.00 O ATOM 1261 CG2 THR A 81 -8.095 -0.751 9.953 1.00 0.00 C ATOM 0 H THR A 81 -5.976 -2.471 9.831 1.00 0.00 H new ATOM 0 HA THR A 81 -8.166 -4.057 10.978 1.00 0.00 H new ATOM 0 HB THR A 81 -7.395 -1.755 11.674 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.663 -1.126 11.912 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.332 0.170 10.485 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.091 -0.681 9.535 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.814 -0.899 9.147 1.00 0.00 H new ATOM 1269 N ASP A 82 -9.969 -3.477 9.091 1.00 0.00 N ATOM 1270 CA ASP A 82 -10.944 -3.934 8.086 1.00 0.00 C ATOM 1271 C ASP A 82 -11.335 -2.851 7.054 1.00 0.00 C ATOM 1272 O ASP A 82 -12.266 -3.029 6.269 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.170 -4.524 8.804 1.00 0.00 C ATOM 1274 CG ASP A 82 -11.815 -5.656 9.785 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -11.003 -6.543 9.430 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -12.362 -5.660 10.914 1.00 0.00 O ATOM 0 H ASP A 82 -10.415 -3.022 9.888 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.464 -4.710 7.490 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.682 -3.729 9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.870 -4.904 8.060 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.598 -1.739 7.034 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.637 -0.697 6.005 1.00 0.00 C ATOM 1283 C ASP A 83 -9.200 -0.245 5.718 1.00 0.00 C ATOM 1284 O ASP A 83 -8.439 0.103 6.624 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.535 0.485 6.418 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.831 1.453 5.252 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -10.910 1.760 4.455 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -12.994 1.908 5.145 1.00 0.00 O ATOM 0 H ASP A 83 -9.925 -1.530 7.771 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.079 -1.104 5.096 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.476 0.100 6.811 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.053 1.035 7.226 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.824 -0.271 4.440 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.457 -0.021 3.971 1.00 0.00 C ATOM 1295 C ILE A 84 -7.032 1.451 4.102 1.00 0.00 C ATOM 1296 O ILE A 84 -5.845 1.733 3.946 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.290 -0.544 2.519 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -7.964 0.395 1.499 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.859 -1.967 2.374 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.724 0.049 0.030 1.00 0.00 C ATOM 0 H ILE A 84 -9.476 -0.471 3.681 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.782 -0.575 4.624 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.221 -0.569 2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.038 0.393 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.611 1.411 1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.729 -2.308 1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.332 -2.640 3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.920 -1.962 2.622 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.241 0.770 -0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.655 0.081 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.104 -0.952 -0.175 1.00 0.00 H new ATOM 1312 N THR A 85 -7.964 2.384 4.358 1.00 0.00 N ATOM 1313 CA THR A 85 -7.736 3.841 4.282 1.00 0.00 C ATOM 1314 C THR A 85 -6.600 4.347 5.169 1.00 0.00 C ATOM 1315 O THR A 85 -5.841 5.214 4.742 1.00 0.00 O ATOM 1316 CB THR A 85 -9.048 4.607 4.497 1.00 0.00 C ATOM 1317 OG1 THR A 85 -8.867 5.955 4.128 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.567 4.555 5.930 1.00 0.00 C ATOM 0 H THR A 85 -8.917 2.144 4.629 1.00 0.00 H new ATOM 0 HA THR A 85 -7.388 4.046 3.270 1.00 0.00 H new ATOM 0 HB THR A 85 -9.795 4.116 3.873 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.704 6.446 4.263 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.497 5.119 6.001 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.749 3.518 6.214 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.826 4.990 6.601 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.376 3.750 6.345 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.234 4.115 7.202 1.00 0.00 C ATOM 1328 C LYS A 86 -3.881 3.843 6.511 1.00 0.00 C ATOM 1329 O LYS A 86 -2.927 4.602 6.690 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.316 3.386 8.559 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.389 3.915 9.530 1.00 0.00 C ATOM 1332 CD LYS A 86 -7.793 3.349 9.281 1.00 0.00 C ATOM 1333 CE LYS A 86 -8.803 3.836 10.333 1.00 0.00 C ATOM 1334 NZ LYS A 86 -8.701 3.103 11.624 1.00 0.00 N ATOM 0 H LYS A 86 -6.968 3.013 6.728 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.292 5.189 7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.508 2.329 8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.344 3.453 9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.089 3.677 10.551 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.428 5.002 9.454 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.132 3.644 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.753 2.260 9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.647 4.900 10.513 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.813 3.724 9.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.346 3.531 12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.960 2.106 11.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.725 3.159 11.979 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.808 2.803 5.673 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.635 2.478 4.861 1.00 0.00 C ATOM 1350 C ALA A 87 -2.641 3.240 3.528 1.00 0.00 C ATOM 1351 O ALA A 87 -1.605 3.754 3.117 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.592 0.954 4.668 1.00 0.00 C ATOM 0 H ALA A 87 -4.581 2.151 5.539 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.727 2.797 5.373 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.724 0.688 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.521 0.466 5.640 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.500 0.626 4.162 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.803 3.380 2.884 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.938 4.023 1.580 1.00 0.00 C ATOM 1360 C ALA A 88 -3.647 5.531 1.614 1.00 0.00 C ATOM 1361 O ALA A 88 -2.932 6.031 0.753 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.334 3.714 1.031 1.00 0.00 C ATOM 0 H ALA A 88 -4.688 3.044 3.262 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.181 3.615 0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.454 4.186 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.454 2.635 0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.088 4.100 1.717 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.109 6.266 2.628 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.778 7.691 2.784 1.00 0.00 C ATOM 1370 C LYS A 89 -2.293 7.915 3.121 1.00 0.00 C ATOM 1371 O LYS A 89 -1.683 8.881 2.660 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.677 8.303 3.868 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.183 8.305 3.547 1.00 0.00 C ATOM 1374 CD LYS A 89 -6.558 9.141 2.317 1.00 0.00 C ATOM 1375 CE LYS A 89 -8.087 9.211 2.207 1.00 0.00 C ATOM 1376 NZ LYS A 89 -8.522 9.987 1.017 1.00 0.00 N ATOM 0 H LYS A 89 -4.717 5.898 3.359 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.958 8.186 1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.521 7.756 4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.358 9.330 4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.512 7.278 3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.728 8.685 4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.140 10.144 2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.136 8.696 1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.493 8.201 2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.495 9.669 3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.493 10.330 1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.885 10.798 0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.492 9.377 0.175 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.680 6.984 3.861 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.234 6.959 4.108 1.00 0.00 C ATOM 1392 C CYS A 90 0.546 6.645 2.819 1.00 0.00 C ATOM 1393 O CYS A 90 1.551 7.294 2.531 1.00 0.00 O ATOM 1394 CB CYS A 90 0.032 5.969 5.249 1.00 0.00 C ATOM 1395 SG CYS A 90 1.765 5.709 5.688 1.00 0.00 S ATOM 0 H CYS A 90 -2.181 6.217 4.311 1.00 0.00 H new ATOM 0 HA CYS A 90 0.126 7.940 4.417 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.498 6.317 6.136 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.401 5.007 4.976 1.00 0.00 H new ATOM 0 HG CYS A 90 2.401 6.841 5.632 1.00 0.00 H new ATOM 1400 N ALA A 91 0.023 5.759 1.967 1.00 0.00 N ATOM 1401 CA ALA A 91 0.547 5.500 0.630 1.00 0.00 C ATOM 1402 C ALA A 91 0.500 6.745 -0.275 1.00 0.00 C ATOM 1403 O ALA A 91 1.494 7.019 -0.944 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.197 4.303 0.032 1.00 0.00 C ATOM 0 H ALA A 91 -0.793 5.192 2.195 1.00 0.00 H new ATOM 0 HA ALA A 91 1.606 5.253 0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.186 4.099 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.046 3.428 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.262 4.529 -0.026 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.558 7.574 -0.236 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.548 8.876 -0.928 1.00 0.00 C ATOM 1412 C LYS A 92 0.557 9.812 -0.399 1.00 0.00 C ATOM 1413 O LYS A 92 1.262 10.439 -1.187 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.910 9.588 -0.836 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.157 8.780 -1.222 1.00 0.00 C ATOM 1416 CD LYS A 92 -3.108 8.014 -2.552 1.00 0.00 C ATOM 1417 CE LYS A 92 -2.715 8.849 -3.784 1.00 0.00 C ATOM 1418 NZ LYS A 92 -3.687 9.937 -4.078 1.00 0.00 N ATOM 0 H LYS A 92 -1.424 7.369 0.263 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.338 8.652 -1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.039 9.937 0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.871 10.472 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.356 8.063 -0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.006 9.463 -1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.400 7.191 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.088 7.571 -2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.728 9.283 -3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.637 8.194 -4.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.330 10.518 -4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.603 9.522 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.808 10.532 -3.234 1.00 0.00 H new ATOM 1432 N LYS A 93 0.758 9.872 0.924 1.00 0.00 N ATOM 1433 CA LYS A 93 1.815 10.684 1.555 1.00 0.00 C ATOM 1434 C LYS A 93 3.242 10.197 1.217 1.00 0.00 C ATOM 1435 O LYS A 93 4.182 10.991 1.238 1.00 0.00 O ATOM 1436 CB LYS A 93 1.539 10.756 3.071 1.00 0.00 C ATOM 1437 CG LYS A 93 2.474 11.676 3.880 1.00 0.00 C ATOM 1438 CD LYS A 93 2.481 13.129 3.380 1.00 0.00 C ATOM 1439 CE LYS A 93 3.171 14.088 4.362 1.00 0.00 C ATOM 1440 NZ LYS A 93 4.648 13.947 4.346 1.00 0.00 N ATOM 0 H LYS A 93 0.189 9.355 1.595 1.00 0.00 H new ATOM 0 HA LYS A 93 1.781 11.692 1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.513 11.092 3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.607 9.749 3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.170 11.661 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.488 11.280 3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.988 13.175 2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.455 13.458 3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.904 15.115 4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.802 13.900 5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.071 14.649 4.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.909 12.990 4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.001 14.103 3.380 1.00 0.00 H new ATOM 1454 N ILE A 94 3.405 8.930 0.825 1.00 0.00 N ATOM 1455 CA ILE A 94 4.656 8.397 0.252 1.00 0.00 C ATOM 1456 C ILE A 94 4.766 8.751 -1.240 1.00 0.00 C ATOM 1457 O ILE A 94 5.804 9.244 -1.680 1.00 0.00 O ATOM 1458 CB ILE A 94 4.752 6.873 0.494 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.823 6.549 2.003 1.00 0.00 C ATOM 1460 CG2 ILE A 94 5.999 6.331 -0.224 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.559 5.076 2.341 1.00 0.00 C ATOM 0 H ILE A 94 2.665 8.232 0.895 1.00 0.00 H new ATOM 0 HA ILE A 94 5.502 8.864 0.756 1.00 0.00 H new ATOM 0 HB ILE A 94 3.856 6.396 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.809 6.825 2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.097 7.167 2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.075 5.256 -0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.918 6.529 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.888 6.823 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.627 4.932 3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.562 4.798 2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.300 4.450 1.844 1.00 0.00 H new ATOM 1473 N TYR A 95 3.692 8.573 -2.012 1.00 0.00 N ATOM 1474 CA TYR A 95 3.610 8.909 -3.444 1.00 0.00 C ATOM 1475 C TYR A 95 3.948 10.382 -3.753 1.00 0.00 C ATOM 1476 O TYR A 95 4.512 10.683 -4.805 1.00 0.00 O ATOM 1477 CB TYR A 95 2.232 8.462 -3.974 1.00 0.00 C ATOM 1478 CG TYR A 95 1.615 9.268 -5.103 1.00 0.00 C ATOM 1479 CD1 TYR A 95 0.998 10.507 -4.828 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.608 8.765 -6.419 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.416 11.257 -5.867 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.038 9.515 -7.465 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.441 10.767 -7.192 1.00 0.00 C ATOM 1484 OH TYR A 95 -0.118 11.499 -8.196 1.00 0.00 O ATOM 0 H TYR A 95 2.824 8.178 -1.650 1.00 0.00 H new ATOM 0 HA TYR A 95 4.385 8.361 -3.980 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.321 7.429 -4.309 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.533 8.467 -3.138 1.00 0.00 H new ATOM 0 HD1 TYR A 95 0.972 10.882 -3.815 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.043 7.798 -6.627 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -0.050 12.207 -5.651 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.057 9.134 -8.475 1.00 0.00 H new ATOM 0 HH TYR A 95 -0.015 11.021 -9.045 1.00 0.00 H new ATOM 1494 N LYS A 96 3.707 11.282 -2.794 1.00 0.00 N ATOM 1495 CA LYS A 96 4.145 12.688 -2.795 1.00 0.00 C ATOM 1496 C LYS A 96 5.672 12.891 -2.913 1.00 0.00 C ATOM 1497 O LYS A 96 6.109 13.987 -3.279 1.00 0.00 O ATOM 1498 CB LYS A 96 3.638 13.319 -1.485 1.00 0.00 C ATOM 1499 CG LYS A 96 2.145 13.696 -1.498 1.00 0.00 C ATOM 1500 CD LYS A 96 1.857 14.953 -2.333 1.00 0.00 C ATOM 1501 CE LYS A 96 0.365 15.308 -2.244 1.00 0.00 C ATOM 1502 NZ LYS A 96 0.043 16.535 -3.020 1.00 0.00 N ATOM 0 H LYS A 96 3.177 11.042 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 96 3.730 13.163 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.817 12.622 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.225 14.214 -1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 96 1.567 12.861 -1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.807 13.860 -0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.460 15.786 -1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.138 14.782 -3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.230 14.475 -2.618 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.088 15.455 -1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.973 16.742 -2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.592 17.336 -2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.284 16.386 -4.021 1.00 0.00 H new ATOM 1516 N ARG A 97 6.485 11.877 -2.591 1.00 0.00 N ATOM 1517 CA ARG A 97 7.952 11.862 -2.750 1.00 0.00 C ATOM 1518 C ARG A 97 8.413 10.797 -3.757 1.00 0.00 C ATOM 1519 O ARG A 97 9.313 11.060 -4.554 1.00 0.00 O ATOM 1520 CB ARG A 97 8.628 11.626 -1.384 1.00 0.00 C ATOM 1521 CG ARG A 97 8.355 12.686 -0.297 1.00 0.00 C ATOM 1522 CD ARG A 97 9.006 14.058 -0.542 1.00 0.00 C ATOM 1523 NE ARG A 97 8.310 14.831 -1.584 1.00 0.00 N ATOM 1524 CZ ARG A 97 8.630 16.031 -2.049 1.00 0.00 C ATOM 1525 NH1 ARG A 97 9.642 16.726 -1.573 1.00 0.00 N ATOM 1526 NH2 ARG A 97 7.907 16.542 -3.021 1.00 0.00 N ATOM 0 H ARG A 97 6.128 11.007 -2.196 1.00 0.00 H new ATOM 0 HA ARG A 97 8.249 12.834 -3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.306 10.656 -1.005 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.705 11.565 -1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.277 12.824 -0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.706 12.301 0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 97 9.009 14.627 0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 97 10.047 13.917 -0.833 1.00 0.00 H new ATOM 0 HE ARG A 97 7.486 14.393 -1.996 1.00 0.00 H new ATOM 0 HH11 ARG A 97 10.213 16.344 -0.819 1.00 0.00 H new ATOM 0 HH12 ARG A 97 9.855 17.646 -1.959 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.119 16.017 -3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.134 17.463 -3.395 1.00 0.00 H new ATOM 1540 N HIS A 98 7.773 9.624 -3.761 1.00 0.00 N ATOM 1541 CA HIS A 98 8.117 8.465 -4.595 1.00 0.00 C ATOM 1542 C HIS A 98 6.846 7.697 -5.018 1.00 0.00 C ATOM 1543 O HIS A 98 6.346 6.853 -4.271 1.00 0.00 O ATOM 1544 CB HIS A 98 9.079 7.554 -3.810 1.00 0.00 C ATOM 1545 CG HIS A 98 10.394 8.187 -3.441 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.462 8.407 -4.314 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.735 8.628 -2.196 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.419 8.984 -3.569 1.00 0.00 C ATOM 1549 NE2 HIS A 98 12.014 9.130 -2.295 1.00 0.00 N ATOM 0 H HIS A 98 6.968 9.447 -3.160 1.00 0.00 H new ATOM 0 HA HIS A 98 8.608 8.805 -5.507 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.582 7.226 -2.897 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.276 6.661 -4.404 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.123 8.591 -1.307 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.385 9.290 -3.943 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.558 9.540 -1.536 1.00 0.00 H new ATOM 1557 N ARG A 99 6.322 7.984 -6.220 1.00 0.00 N ATOM 1558 CA ARG A 99 5.012 7.500 -6.694 1.00 0.00 C ATOM 1559 C ARG A 99 4.818 5.976 -6.638 1.00 0.00 C ATOM 1560 O ARG A 99 3.751 5.519 -6.236 1.00 0.00 O ATOM 1561 CB ARG A 99 4.689 8.067 -8.068 1.00 0.00 C ATOM 1562 CG ARG A 99 5.680 7.720 -9.178 1.00 0.00 C ATOM 1563 CD ARG A 99 5.112 8.386 -10.421 1.00 0.00 C ATOM 1564 NE ARG A 99 5.927 8.111 -11.616 1.00 0.00 N ATOM 1565 CZ ARG A 99 5.635 8.461 -12.865 1.00 0.00 C ATOM 1566 NH1 ARG A 99 4.538 9.126 -13.167 1.00 0.00 N ATOM 1567 NH2 ARG A 99 6.456 8.139 -13.841 1.00 0.00 N ATOM 0 H ARG A 99 6.804 8.569 -6.903 1.00 0.00 H new ATOM 0 HA ARG A 99 4.288 7.883 -5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.702 7.713 -8.364 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.627 9.152 -7.988 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.678 8.093 -8.949 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.766 6.641 -9.310 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.094 8.034 -10.588 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.055 9.463 -10.261 1.00 0.00 H new ATOM 0 HE ARG A 99 6.800 7.603 -11.472 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.882 9.388 -12.431 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.345 9.379 -14.136 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.312 7.623 -13.638 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.236 8.405 -14.801 1.00 0.00 H new ATOM 1581 N PHE A 100 5.868 5.214 -6.970 1.00 0.00 N ATOM 1582 CA PHE A 100 5.907 3.747 -6.892 1.00 0.00 C ATOM 1583 C PHE A 100 7.273 3.192 -6.434 1.00 0.00 C ATOM 1584 O PHE A 100 7.355 2.042 -6.006 1.00 0.00 O ATOM 1585 CB PHE A 100 5.553 3.146 -8.261 1.00 0.00 C ATOM 1586 CG PHE A 100 4.235 3.582 -8.869 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.026 3.252 -8.229 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.211 4.303 -10.078 1.00 0.00 C ATOM 1589 CE1 PHE A 100 1.803 3.662 -8.780 1.00 0.00 C ATOM 1590 CE2 PHE A 100 2.984 4.712 -10.631 1.00 0.00 C ATOM 1591 CZ PHE A 100 1.780 4.395 -9.979 1.00 0.00 C ATOM 0 H PHE A 100 6.742 5.614 -7.311 1.00 0.00 H new ATOM 0 HA PHE A 100 5.175 3.458 -6.137 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.351 3.396 -8.960 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.542 2.060 -8.165 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.040 2.682 -7.312 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.136 4.542 -10.582 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.877 3.414 -8.282 1.00 0.00 H new ATOM 0 HE2 PHE A 100 2.967 5.269 -11.556 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.838 4.714 -10.399 1.00 0.00 H new ATOM 1601 N ASP A 101 8.346 3.995 -6.494 1.00 0.00 N ATOM 1602 CA ASP A 101 9.732 3.556 -6.251 1.00 0.00 C ATOM 1603 C ASP A 101 10.049 3.251 -4.771 1.00 0.00 C ATOM 1604 O ASP A 101 11.042 2.585 -4.475 1.00 0.00 O ATOM 1605 CB ASP A 101 10.681 4.625 -6.820 1.00 0.00 C ATOM 1606 CG ASP A 101 12.156 4.193 -6.791 1.00 0.00 C ATOM 1607 OD1 ASP A 101 12.511 3.221 -7.498 1.00 0.00 O ATOM 1608 OD2 ASP A 101 12.966 4.842 -6.087 1.00 0.00 O ATOM 0 H ASP A 101 8.275 4.988 -6.717 1.00 0.00 H new ATOM 0 HA ASP A 101 9.874 2.602 -6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.394 4.849 -7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.566 5.546 -6.249 1.00 0.00 H new ATOM 1613 N ALA A 102 9.183 3.678 -3.843 1.00 0.00 N ATOM 1614 CA ALA A 102 9.256 3.326 -2.421 1.00 0.00 C ATOM 1615 C ALA A 102 8.910 1.847 -2.131 1.00 0.00 C ATOM 1616 O ALA A 102 9.126 1.379 -1.010 1.00 0.00 O ATOM 1617 CB ALA A 102 8.338 4.274 -1.641 1.00 0.00 C ATOM 0 H ALA A 102 8.397 4.289 -4.065 1.00 0.00 H new ATOM 0 HA ALA A 102 10.290 3.442 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.378 4.028 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.668 5.303 -1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.314 4.166 -2.000 1.00 0.00 H new ATOM 1623 N TRP A 103 8.407 1.110 -3.128 1.00 0.00 N ATOM 1624 CA TRP A 103 7.997 -0.291 -3.023 1.00 0.00 C ATOM 1625 C TRP A 103 8.769 -1.181 -3.995 1.00 0.00 C ATOM 1626 O TRP A 103 8.790 -0.958 -5.207 1.00 0.00 O ATOM 1627 CB TRP A 103 6.489 -0.383 -3.269 1.00 0.00 C ATOM 1628 CG TRP A 103 5.644 0.295 -2.239 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.266 -0.261 -1.070 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.054 1.634 -2.250 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.473 0.622 -0.372 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.280 1.799 -1.062 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.080 2.722 -3.148 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.537 2.960 -0.800 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.348 3.897 -2.895 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.564 4.011 -1.733 1.00 0.00 C ATOM 0 H TRP A 103 8.270 1.490 -4.065 1.00 0.00 H new ATOM 0 HA TRP A 103 8.227 -0.654 -2.021 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.267 0.051 -4.244 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.206 -1.435 -3.316 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.543 -1.249 -0.733 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.075 0.428 0.547 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.674 2.652 -4.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 2.953 3.045 0.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.389 4.716 -3.598 1.00 0.00 H new ATOM 0 HH2 TRP A 103 2.984 4.905 -1.558 1.00 0.00 H new ATOM 1647 N TYR A 104 9.407 -2.209 -3.438 1.00 0.00 N ATOM 1648 CA TYR A 104 10.311 -3.083 -4.175 1.00 0.00 C ATOM 1649 C TYR A 104 9.594 -4.007 -5.170 1.00 0.00 C ATOM 1650 O TYR A 104 10.134 -4.282 -6.242 1.00 0.00 O ATOM 1651 CB TYR A 104 11.146 -3.887 -3.176 1.00 0.00 C ATOM 1652 CG TYR A 104 12.331 -4.540 -3.847 1.00 0.00 C ATOM 1653 CD1 TYR A 104 13.416 -3.736 -4.234 1.00 0.00 C ATOM 1654 CD2 TYR A 104 12.317 -5.914 -4.152 1.00 0.00 C ATOM 1655 CE1 TYR A 104 14.503 -4.304 -4.926 1.00 0.00 C ATOM 1656 CE2 TYR A 104 13.401 -6.490 -4.843 1.00 0.00 C ATOM 1657 CZ TYR A 104 14.497 -5.686 -5.234 1.00 0.00 C ATOM 1658 OH TYR A 104 15.537 -6.246 -5.912 1.00 0.00 O ATOM 0 H TYR A 104 9.309 -2.459 -2.454 1.00 0.00 H new ATOM 0 HA TYR A 104 10.958 -2.453 -4.785 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.494 -3.230 -2.379 1.00 0.00 H new ATOM 0 HB3 TYR A 104 10.523 -4.651 -2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.416 -2.682 -4.001 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.477 -6.525 -3.857 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.339 -3.687 -5.221 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.395 -7.545 -5.074 1.00 0.00 H new ATOM 0 HH TYR A 104 15.369 -7.203 -6.037 1.00 0.00 H new ATOM 1668 N GLY A 105 8.364 -4.434 -4.867 1.00 0.00 N ATOM 1669 CA GLY A 105 7.584 -5.337 -5.715 1.00 0.00 C ATOM 1670 C GLY A 105 7.229 -4.719 -7.063 1.00 0.00 C ATOM 1671 O GLY A 105 7.305 -5.392 -8.091 1.00 0.00 O ATOM 0 H GLY A 105 7.877 -4.158 -4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.150 -6.254 -5.878 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.667 -5.616 -5.195 1.00 0.00 H new ATOM 1675 N TRP A 106 6.927 -3.418 -7.091 1.00 0.00 N ATOM 1676 CA TRP A 106 6.625 -2.703 -8.332 1.00 0.00 C ATOM 1677 C TRP A 106 7.826 -2.651 -9.292 1.00 0.00 C ATOM 1678 O TRP A 106 7.690 -2.951 -10.479 1.00 0.00 O ATOM 1679 CB TRP A 106 6.079 -1.313 -7.996 1.00 0.00 C ATOM 1680 CG TRP A 106 5.884 -0.428 -9.186 1.00 0.00 C ATOM 1681 CD1 TRP A 106 4.770 -0.330 -9.945 1.00 0.00 C ATOM 1682 CD2 TRP A 106 6.857 0.477 -9.788 1.00 0.00 C ATOM 1683 NE1 TRP A 106 4.998 0.545 -10.991 1.00 0.00 N ATOM 1684 CE2 TRP A 106 6.271 1.076 -10.941 1.00 0.00 C ATOM 1685 CE3 TRP A 106 8.176 0.850 -9.460 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 6.979 1.982 -11.747 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 8.898 1.748 -10.263 1.00 0.00 C ATOM 1688 CH2 TRP A 106 8.303 2.314 -11.406 1.00 0.00 C ATOM 0 H TRP A 106 6.885 -2.833 -6.256 1.00 0.00 H new ATOM 0 HA TRP A 106 5.857 -3.256 -8.872 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.126 -1.424 -7.480 1.00 0.00 H new ATOM 0 HB3 TRP A 106 6.762 -0.824 -7.302 1.00 0.00 H new ATOM 0 HD1 TRP A 106 3.844 -0.855 -9.762 1.00 0.00 H new ATOM 0 HE1 TRP A 106 4.311 0.770 -11.710 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.640 0.438 -8.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 6.513 2.419 -12.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 9.914 2.005 -10.002 1.00 0.00 H new ATOM 0 HH2 TRP A 106 8.863 3.003 -12.021 1.00 0.00 H new ATOM 1699 N LYS A 107 9.023 -2.350 -8.786 1.00 0.00 N ATOM 1700 CA LYS A 107 10.265 -2.358 -9.578 1.00 0.00 C ATOM 1701 C LYS A 107 10.838 -3.773 -9.827 1.00 0.00 C ATOM 1702 O LYS A 107 11.711 -3.935 -10.680 1.00 0.00 O ATOM 1703 CB LYS A 107 11.274 -1.346 -8.999 1.00 0.00 C ATOM 1704 CG LYS A 107 11.615 -1.540 -7.513 1.00 0.00 C ATOM 1705 CD LYS A 107 12.379 -0.350 -6.914 1.00 0.00 C ATOM 1706 CE LYS A 107 13.726 -0.092 -7.602 1.00 0.00 C ATOM 1707 NZ LYS A 107 14.366 1.142 -7.080 1.00 0.00 N ATOM 0 H LYS A 107 9.164 -2.091 -7.809 1.00 0.00 H new ATOM 0 HA LYS A 107 10.022 -2.019 -10.585 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.196 -1.405 -9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.875 -0.341 -9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.694 -1.693 -6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.213 -2.444 -7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.762 0.545 -6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.549 -0.532 -5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.388 -0.943 -7.443 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.577 -0.001 -8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.298 1.265 -7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.767 1.963 -7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.483 1.063 -6.050 1.00 0.00 H new ATOM 1721 N ASN A 108 10.305 -4.800 -9.154 1.00 0.00 N ATOM 1722 CA ASN A 108 10.649 -6.211 -9.363 1.00 0.00 C ATOM 1723 C ASN A 108 9.765 -6.914 -10.420 1.00 0.00 C ATOM 1724 O ASN A 108 10.282 -7.753 -11.160 1.00 0.00 O ATOM 1725 CB ASN A 108 10.583 -6.935 -8.007 1.00 0.00 C ATOM 1726 CG ASN A 108 10.997 -8.399 -8.102 1.00 0.00 C ATOM 1727 OD1 ASN A 108 10.166 -9.295 -8.198 1.00 0.00 O ATOM 1728 ND2 ASN A 108 12.288 -8.685 -8.075 1.00 0.00 N ATOM 0 H ASN A 108 9.601 -4.668 -8.427 1.00 0.00 H new ATOM 0 HA ASN A 108 11.660 -6.255 -9.768 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.231 -6.424 -7.295 1.00 0.00 H new ATOM 0 HB3 ASN A 108 9.568 -6.873 -7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 108 12.597 -9.655 -8.134 1.00 0.00 H new ATOM 0 HD22 ASN A 108 12.975 -7.935 -7.995 1.00 0.00 H new ATOM 1735 N HIS A 109 8.468 -6.572 -10.535 1.00 0.00 N ATOM 1736 CA HIS A 109 7.516 -7.329 -11.379 1.00 0.00 C ATOM 1737 C HIS A 109 6.517 -6.498 -12.226 1.00 0.00 C ATOM 1738 O HIS A 109 6.100 -6.963 -13.289 1.00 0.00 O ATOM 1739 CB HIS A 109 6.823 -8.407 -10.515 1.00 0.00 C ATOM 1740 CG HIS A 109 5.347 -8.207 -10.274 1.00 0.00 C ATOM 1741 ND1 HIS A 109 4.331 -9.005 -10.805 1.00 0.00 N ATOM 1742 CD2 HIS A 109 4.784 -7.225 -9.514 1.00 0.00 C ATOM 1743 CE1 HIS A 109 3.183 -8.483 -10.344 1.00 0.00 C ATOM 1744 NE2 HIS A 109 3.423 -7.413 -9.568 1.00 0.00 N ATOM 0 H HIS A 109 8.052 -5.775 -10.054 1.00 0.00 H new ATOM 0 HA HIS A 109 8.117 -7.797 -12.159 1.00 0.00 H new ATOM 0 HB2 HIS A 109 6.966 -9.376 -10.993 1.00 0.00 H new ATOM 0 HB3 HIS A 109 7.327 -8.451 -9.549 1.00 0.00 H new ATOM 0 HD2 HIS A 109 5.306 -6.449 -8.974 1.00 0.00 H new ATOM 0 HE1 HIS A 109 2.200 -8.871 -10.567 1.00 0.00 H new ATOM 0 HE2 HIS A 109 2.719 -6.841 -9.101 1.00 0.00 H new ATOM 1752 N CYS A 110 6.186 -5.254 -11.846 1.00 0.00 N ATOM 1753 CA CYS A 110 5.248 -4.405 -12.614 1.00 0.00 C ATOM 1754 C CYS A 110 5.864 -3.788 -13.885 1.00 0.00 C ATOM 1755 O CYS A 110 5.156 -3.174 -14.683 1.00 0.00 O ATOM 1756 CB CYS A 110 4.672 -3.299 -11.718 1.00 0.00 C ATOM 1757 SG CYS A 110 3.755 -3.875 -10.271 1.00 0.00 S ATOM 0 H CYS A 110 6.554 -4.807 -11.006 1.00 0.00 H new ATOM 0 HA CYS A 110 4.451 -5.068 -12.950 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.492 -2.665 -11.379 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.013 -2.673 -12.320 1.00 0.00 H new ATOM 0 HG CYS A 110 2.818 -4.693 -10.649 1.00 0.00 H new ATOM 1762 N GLN A 111 7.177 -3.951 -14.086 1.00 0.00 N ATOM 1763 CA GLN A 111 7.915 -3.398 -15.228 1.00 0.00 C ATOM 1764 C GLN A 111 7.705 -4.206 -16.524 1.00 0.00 C ATOM 1765 O GLN A 111 7.902 -3.665 -17.615 1.00 0.00 O ATOM 1766 CB GLN A 111 9.419 -3.328 -14.891 1.00 0.00 C ATOM 1767 CG GLN A 111 9.760 -2.618 -13.567 1.00 0.00 C ATOM 1768 CD GLN A 111 9.197 -1.198 -13.474 1.00 0.00 C ATOM 1769 OE1 GLN A 111 9.519 -0.315 -14.260 1.00 0.00 O ATOM 1770 NE2 GLN A 111 8.333 -0.923 -12.520 1.00 0.00 N ATOM 0 H GLN A 111 7.768 -4.482 -13.446 1.00 0.00 H new ATOM 0 HA GLN A 111 7.522 -2.398 -15.410 1.00 0.00 H new ATOM 0 HB2 GLN A 111 9.815 -4.343 -14.853 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.934 -2.815 -15.703 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.373 -3.209 -12.737 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.843 -2.579 -13.453 1.00 0.00 H new ATOM 0 HE21 GLN A 111 8.056 -1.648 -11.859 1.00 0.00 H new ATOM 0 HE22 GLN A 111 7.941 0.015 -12.442 1.00 0.00 H new ATOM 1779 N GLY A 112 7.297 -5.481 -16.424 1.00 0.00 N ATOM 1780 CA GLY A 112 7.086 -6.371 -17.577 1.00 0.00 C ATOM 1781 C GLY A 112 5.675 -6.291 -18.163 1.00 0.00 C ATOM 1782 O GLY A 112 5.513 -6.318 -19.382 1.00 0.00 O ATOM 0 H GLY A 112 7.102 -5.929 -15.528 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.808 -6.122 -18.355 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.287 -7.399 -17.274 1.00 0.00 H new ATOM 1786 N SER A 113 4.655 -6.179 -17.309 1.00 0.00 N ATOM 1787 CA SER A 113 3.229 -6.131 -17.676 1.00 0.00 C ATOM 1788 C SER A 113 2.352 -5.759 -16.464 1.00 0.00 C ATOM 1789 O SER A 113 2.734 -6.009 -15.315 1.00 0.00 O ATOM 1790 CB SER A 113 2.776 -7.485 -18.253 1.00 0.00 C ATOM 1791 OG SER A 113 1.484 -7.385 -18.839 1.00 0.00 O ATOM 0 H SER A 113 4.801 -6.116 -16.301 1.00 0.00 H new ATOM 0 HA SER A 113 3.108 -5.359 -18.436 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.493 -7.823 -19.001 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.763 -8.235 -17.462 1.00 0.00 H new ATOM 0 HG SER A 113 1.220 -8.257 -19.200 1.00 0.00 H new ATOM 1797 N LEU A 114 1.176 -5.166 -16.712 1.00 0.00 N ATOM 1798 CA LEU A 114 0.174 -4.795 -15.708 1.00 0.00 C ATOM 1799 C LEU A 114 -1.186 -5.480 -15.975 1.00 0.00 C ATOM 1800 O LEU A 114 -1.535 -5.692 -17.143 1.00 0.00 O ATOM 1801 CB LEU A 114 0.004 -3.269 -15.748 1.00 0.00 C ATOM 1802 CG LEU A 114 1.241 -2.460 -15.313 1.00 0.00 C ATOM 1803 CD1 LEU A 114 0.987 -0.983 -15.627 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.536 -2.633 -13.818 1.00 0.00 C ATOM 0 H LEU A 114 0.886 -4.922 -17.659 1.00 0.00 H new ATOM 0 HA LEU A 114 0.515 -5.125 -14.727 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.264 -2.976 -16.763 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.833 -2.996 -15.106 1.00 0.00 H new ATOM 0 HG LEU A 114 2.111 -2.826 -15.859 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.853 -0.393 -15.326 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.820 -0.862 -16.697 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.107 -0.641 -15.082 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.415 -2.047 -13.550 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.680 -2.290 -13.236 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.722 -3.685 -13.603 1.00 0.00 H new ATOM 1816 N PRO A 115 -1.991 -5.766 -14.932 1.00 0.00 N ATOM 1817 CA PRO A 115 -3.328 -6.333 -15.069 1.00 0.00 C ATOM 1818 C PRO A 115 -4.311 -5.304 -15.635 1.00 0.00 C ATOM 1819 O PRO A 115 -4.109 -4.096 -15.509 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.727 -6.760 -13.655 1.00 0.00 C ATOM 1821 CG PRO A 115 -3.011 -5.745 -12.769 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.708 -5.509 -13.529 1.00 0.00 C ATOM 0 HA PRO A 115 -3.343 -7.172 -15.765 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.807 -6.726 -13.514 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -3.409 -7.780 -13.437 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.587 -4.827 -12.655 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.832 -6.135 -11.767 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -1.356 -4.487 -13.386 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.922 -6.171 -13.165 1.00 0.00 H new ATOM 1830 N ASP A 116 -5.393 -5.789 -16.246 1.00 0.00 N ATOM 1831 CA ASP A 116 -6.504 -4.956 -16.719 1.00 0.00 C ATOM 1832 C ASP A 116 -7.445 -4.532 -15.570 1.00 0.00 C ATOM 1833 O ASP A 116 -7.611 -5.228 -14.565 1.00 0.00 O ATOM 1834 CB ASP A 116 -7.264 -5.694 -17.837 1.00 0.00 C ATOM 1835 CG ASP A 116 -8.414 -4.872 -18.451 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -8.303 -3.623 -18.524 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -9.438 -5.478 -18.841 1.00 0.00 O ATOM 0 H ASP A 116 -5.526 -6.784 -16.429 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.091 -4.033 -17.126 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.561 -5.964 -18.625 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.667 -6.624 -17.437 1.00 0.00 H new ATOM 1842 N ILE A 117 -8.082 -3.378 -15.764 1.00 0.00 N ATOM 1843 CA ILE A 117 -9.057 -2.741 -14.862 1.00 0.00 C ATOM 1844 C ILE A 117 -10.337 -2.284 -15.584 1.00 0.00 C ATOM 1845 O ILE A 117 -11.259 -1.794 -14.939 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.406 -1.547 -14.125 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -7.921 -0.491 -15.147 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -7.283 -2.028 -13.184 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.474 0.815 -14.504 1.00 0.00 C ATOM 0 H ILE A 117 -7.925 -2.824 -16.606 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.357 -3.501 -14.140 1.00 0.00 H new ATOM 0 HB ILE A 117 -9.151 -1.065 -13.493 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.093 -0.906 -15.721 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.726 -0.283 -15.852 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.841 -1.170 -12.677 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.697 -2.713 -12.444 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.517 -2.541 -13.765 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.147 1.509 -15.279 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.306 1.253 -13.953 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.648 0.620 -13.820 1.00 0.00 H new ATOM 1861 N SER A 118 -10.423 -2.430 -16.906 1.00 0.00 N ATOM 1862 CA SER A 118 -11.610 -2.050 -17.696 1.00 0.00 C ATOM 1863 C SER A 118 -12.838 -2.941 -17.396 1.00 0.00 C ATOM 1864 O SER A 118 -13.985 -2.555 -17.628 1.00 0.00 O ATOM 1865 CB SER A 118 -11.246 -2.089 -19.189 1.00 0.00 C ATOM 1866 OG SER A 118 -12.205 -1.410 -19.990 1.00 0.00 O ATOM 0 H SER A 118 -9.667 -2.818 -17.471 1.00 0.00 H new ATOM 0 HA SER A 118 -11.901 -1.039 -17.411 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.266 -1.635 -19.335 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.169 -3.126 -19.516 1.00 0.00 H new ATOM 0 HG SER A 118 -11.937 -1.456 -20.931 1.00 0.00 H new ATOM 1872 N SER A 119 -12.617 -4.121 -16.811 1.00 0.00 N ATOM 1873 CA SER A 119 -13.649 -5.026 -16.285 1.00 0.00 C ATOM 1874 C SER A 119 -14.178 -4.639 -14.887 1.00 0.00 C ATOM 1875 O SER A 119 -15.186 -5.197 -14.437 1.00 0.00 O ATOM 1876 CB SER A 119 -13.065 -6.445 -16.240 1.00 0.00 C ATOM 1877 OG SER A 119 -11.820 -6.479 -15.545 1.00 0.00 O ATOM 0 H SER A 119 -11.675 -4.490 -16.684 1.00 0.00 H new ATOM 0 HA SER A 119 -14.507 -4.959 -16.954 1.00 0.00 H new ATOM 0 HB2 SER A 119 -13.773 -7.115 -15.752 1.00 0.00 H new ATOM 0 HB3 SER A 119 -12.925 -6.814 -17.256 1.00 0.00 H new ATOM 0 HG SER A 119 -11.477 -7.397 -15.533 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.525 -3.689 -14.203 1.00 0.00 N ATOM 1884 CA CYS A 120 -13.837 -3.249 -12.838 1.00 0.00 C ATOM 1885 C CYS A 120 -14.732 -1.993 -12.823 1.00 0.00 C ATOM 1886 O CYS A 120 -14.336 -0.945 -13.384 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.519 -3.017 -12.084 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.355 -4.409 -12.090 1.00 0.00 S ATOM 1889 OXT CYS A 120 -15.814 -2.043 -12.196 1.00 0.00 O ATOM 0 H CYS A 120 -12.733 -3.186 -14.603 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.411 -4.028 -12.336 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -12.022 -2.149 -12.517 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -12.753 -2.767 -11.049 1.00 0.00 H new ATOM 0 HG CYS A 120 -11.936 -5.463 -11.599 1.00 0.00 H new