USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 821 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 47 MET CE :methyl -125:sc= -0.416 (180deg=-2.49) USER MOD Set 1.2: A 50 CYS SG : rot 29:sc= 0.128 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0.0117 USER MOD Set 2.2: A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 156:sc= 0 (180deg=-0.0748) USER MOD Single : A 1 MET N :NH3+ -96:sc= 0.13 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= -0.0114 (180deg=-0.107) USER MOD Single : A 17 LYS NZ :NH3+ 173:sc=-0.00531 (180deg=-0.0851) USER MOD Single : A 25 GLN : amide:sc= -0.993 X(o=-0.99,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= -0.0097 (180deg=-0.113) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 0:sc= 0.396 USER MOD Single : A 42 ASN : amide:sc=-0.00448 K(o=-0.0045,f=-0.78) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 0.224 (180deg=-0.525!) USER MOD Single : A 51 TYR OH : rot 30:sc= -1.93! USER MOD Single : A 52 LYS NZ :NH3+ 159:sc= 0.534 (180deg=0.38) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 30:sc= -0.104 USER MOD Single : A 65 GLN : amide:sc= -0.963 K(o=-0.96,f=0.6) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 160:sc= 0.0874 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 96:sc= 1.21 USER MOD Single : A 92 LYS NZ :NH3+ -166:sc= -0.0296 (180deg=-0.192) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.970 15.873 -3.030 1.00 0.00 N ATOM 2 CA MET A 1 10.995 14.737 -3.949 1.00 0.00 C ATOM 3 C MET A 1 9.745 13.906 -3.722 1.00 0.00 C ATOM 4 O MET A 1 9.167 13.941 -2.628 1.00 0.00 O ATOM 5 CB MET A 1 12.263 13.902 -3.689 1.00 0.00 C ATOM 6 CG MET A 1 12.493 12.740 -4.639 1.00 0.00 C ATOM 7 SD MET A 1 14.013 11.850 -4.259 1.00 0.00 S ATOM 8 CE MET A 1 13.996 10.589 -5.531 1.00 0.00 C ATOM 0 H1 MET A 1 10.580 16.705 -3.517 1.00 0.00 H new ATOM 0 H2 MET A 1 10.375 15.642 -2.209 1.00 0.00 H new ATOM 0 H3 MET A 1 11.937 16.081 -2.709 1.00 0.00 H new ATOM 0 HA MET A 1 11.014 15.078 -4.984 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.128 14.564 -3.738 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.217 13.512 -2.672 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.648 12.054 -4.584 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.536 13.112 -5.663 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.013 10.243 -5.714 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.380 9.751 -5.204 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.584 11.005 -6.450 1.00 0.00 H new ATOM 18 N ALA A 2 9.300 13.216 -4.740 1.00 0.00 N ATOM 19 CA ALA A 2 8.156 12.356 -4.647 1.00 0.00 C ATOM 20 C ALA A 2 8.512 10.989 -5.200 1.00 0.00 C ATOM 21 O ALA A 2 9.537 10.829 -5.884 1.00 0.00 O ATOM 22 CB ALA A 2 6.979 12.956 -5.409 1.00 0.00 C ATOM 0 H ALA A 2 9.728 13.238 -5.665 1.00 0.00 H new ATOM 0 HA ALA A 2 7.863 12.253 -3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.118 12.292 -5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.728 13.928 -4.985 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.248 13.077 -6.458 1.00 0.00 H new ATOM 28 N TYR A 3 7.702 10.019 -4.898 1.00 0.00 N ATOM 29 CA TYR A 3 7.898 8.668 -5.370 1.00 0.00 C ATOM 30 C TYR A 3 6.745 8.290 -6.273 1.00 0.00 C ATOM 31 O TYR A 3 5.720 8.969 -6.285 1.00 0.00 O ATOM 32 CB TYR A 3 7.994 7.676 -4.191 1.00 0.00 C ATOM 33 CG TYR A 3 9.242 7.804 -3.328 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.425 8.877 -2.464 1.00 0.00 C ATOM 35 CD2 TYR A 3 10.235 6.836 -3.380 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.559 8.982 -1.682 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.371 6.933 -2.599 1.00 0.00 C ATOM 38 CZ TYR A 3 11.527 8.007 -1.753 1.00 0.00 C ATOM 39 OH TYR A 3 12.654 8.102 -0.972 1.00 0.00 O ATOM 0 H TYR A 3 6.876 10.138 -4.311 1.00 0.00 H new ATOM 0 HA TYR A 3 8.836 8.620 -5.924 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.118 7.808 -3.555 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.950 6.662 -4.588 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.666 9.643 -2.403 1.00 0.00 H new ATOM 0 HD2 TYR A 3 10.118 5.991 -4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.685 9.825 -1.019 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.133 6.169 -2.652 1.00 0.00 H new ATOM 0 HH TYR A 3 13.236 7.332 -1.142 1.00 0.00 H new ATOM 49 N PHE A 4 6.918 7.242 -7.036 1.00 0.00 N ATOM 50 CA PHE A 4 5.864 6.746 -7.901 1.00 0.00 C ATOM 51 C PHE A 4 4.994 5.778 -7.108 1.00 0.00 C ATOM 52 O PHE A 4 5.408 5.314 -6.057 1.00 0.00 O ATOM 53 CB PHE A 4 6.463 6.055 -9.135 1.00 0.00 C ATOM 54 CG PHE A 4 7.254 6.974 -10.028 1.00 0.00 C ATOM 55 CD1 PHE A 4 6.632 7.680 -11.043 1.00 0.00 C ATOM 56 CD2 PHE A 4 8.619 7.132 -9.852 1.00 0.00 C ATOM 57 CE1 PHE A 4 7.355 8.527 -11.863 1.00 0.00 C ATOM 58 CE2 PHE A 4 9.346 7.977 -10.665 1.00 0.00 C ATOM 59 CZ PHE A 4 8.715 8.674 -11.674 1.00 0.00 C ATOM 0 H PHE A 4 7.785 6.707 -7.080 1.00 0.00 H new ATOM 0 HA PHE A 4 5.253 7.578 -8.251 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.109 5.241 -8.805 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.656 5.607 -9.715 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.569 7.568 -11.197 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.121 6.586 -9.067 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.857 9.073 -12.650 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.409 8.093 -10.511 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.283 9.333 -12.314 1.00 0.00 H new ATOM 69 N LEU A 5 3.803 5.504 -7.571 1.00 0.00 N ATOM 70 CA LEU A 5 2.907 4.600 -6.865 1.00 0.00 C ATOM 71 C LEU A 5 2.439 3.516 -7.834 1.00 0.00 C ATOM 72 O LEU A 5 1.859 3.836 -8.881 1.00 0.00 O ATOM 73 CB LEU A 5 1.701 5.407 -6.290 1.00 0.00 C ATOM 74 CG LEU A 5 0.803 4.745 -5.198 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.055 3.521 -5.693 1.00 0.00 C ATOM 76 CD2 LEU A 5 1.612 4.398 -3.967 1.00 0.00 C ATOM 0 H LEU A 5 3.422 5.890 -8.435 1.00 0.00 H new ATOM 0 HA LEU A 5 3.422 4.124 -6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.093 6.336 -5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.057 5.678 -7.127 1.00 0.00 H new ATOM 0 HG LEU A 5 0.051 5.491 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.549 3.112 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.593 3.802 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.769 2.769 -6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.962 3.938 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.405 3.700 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.053 5.305 -3.554 1.00 0.00 H new ATOM 88 N ASP A 6 2.665 2.260 -7.502 1.00 0.00 N ATOM 89 CA ASP A 6 2.223 1.158 -8.354 1.00 0.00 C ATOM 90 C ASP A 6 1.549 0.098 -7.476 1.00 0.00 C ATOM 91 O ASP A 6 1.649 0.154 -6.246 1.00 0.00 O ATOM 92 CB ASP A 6 3.404 0.548 -9.139 1.00 0.00 C ATOM 93 CG ASP A 6 2.972 -0.193 -10.405 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.362 -1.263 -10.324 1.00 0.00 O ATOM 95 OD2 ASP A 6 3.245 0.310 -11.520 1.00 0.00 O ATOM 0 H ASP A 6 3.150 1.971 -6.652 1.00 0.00 H new ATOM 0 HA ASP A 6 1.511 1.535 -9.088 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.099 1.342 -9.411 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.945 -0.141 -8.490 1.00 0.00 H new ATOM 100 N PHE A 7 0.899 -0.858 -8.088 1.00 0.00 N ATOM 101 CA PHE A 7 0.138 -1.871 -7.381 1.00 0.00 C ATOM 102 C PHE A 7 0.500 -3.233 -7.920 1.00 0.00 C ATOM 103 O PHE A 7 0.618 -3.400 -9.134 1.00 0.00 O ATOM 104 CB PHE A 7 -1.386 -1.691 -7.607 1.00 0.00 C ATOM 105 CG PHE A 7 -1.985 -0.374 -7.187 1.00 0.00 C ATOM 106 CD1 PHE A 7 -2.065 0.685 -8.081 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.491 -0.205 -5.912 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.633 1.884 -7.706 1.00 0.00 C ATOM 109 CE2 PHE A 7 -3.064 0.992 -5.532 1.00 0.00 C ATOM 110 CZ PHE A 7 -3.134 2.039 -6.430 1.00 0.00 C ATOM 0 H PHE A 7 0.879 -0.961 -9.103 1.00 0.00 H new ATOM 0 HA PHE A 7 0.372 -1.776 -6.321 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.591 -1.834 -8.668 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.905 -2.486 -7.072 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.678 0.568 -9.082 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.437 -1.019 -5.204 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.686 2.701 -8.410 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.457 1.110 -4.533 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.580 2.977 -6.134 1.00 0.00 H new ATOM 120 N ASP A 8 0.682 -4.200 -7.039 1.00 0.00 N ATOM 121 CA ASP A 8 0.849 -5.598 -7.448 1.00 0.00 C ATOM 122 C ASP A 8 -0.393 -6.027 -8.197 1.00 0.00 C ATOM 123 O ASP A 8 -1.467 -5.427 -7.999 1.00 0.00 O ATOM 124 CB ASP A 8 1.068 -6.532 -6.237 1.00 0.00 C ATOM 125 CG ASP A 8 1.170 -8.004 -6.632 1.00 0.00 C ATOM 126 OD1 ASP A 8 2.256 -8.460 -7.047 1.00 0.00 O ATOM 127 OD2 ASP A 8 0.162 -8.732 -6.536 1.00 0.00 O ATOM 0 H ASP A 8 0.719 -4.050 -6.031 1.00 0.00 H new ATOM 0 HA ASP A 8 1.733 -5.671 -8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.979 -6.237 -5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.245 -6.406 -5.534 1.00 0.00 H new ATOM 132 N GLU A 9 -0.269 -7.028 -9.052 1.00 0.00 N ATOM 133 CA GLU A 9 -1.389 -7.501 -9.825 1.00 0.00 C ATOM 134 C GLU A 9 -2.588 -7.824 -8.928 1.00 0.00 C ATOM 135 O GLU A 9 -3.686 -7.416 -9.238 1.00 0.00 O ATOM 136 CB GLU A 9 -1.015 -8.705 -10.691 1.00 0.00 C ATOM 137 CG GLU A 9 -0.376 -9.850 -9.928 1.00 0.00 C ATOM 138 CD GLU A 9 -0.304 -11.101 -10.739 1.00 0.00 C ATOM 139 OE1 GLU A 9 0.487 -11.173 -11.692 1.00 0.00 O ATOM 140 OE2 GLU A 9 -1.046 -12.052 -10.435 1.00 0.00 O ATOM 0 H GLU A 9 0.604 -7.527 -9.224 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.678 -6.692 -10.496 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.912 -9.072 -11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.329 -8.377 -11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.629 -9.562 -9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.947 -10.041 -9.019 1.00 0.00 H new ATOM 147 N ARG A 10 -2.351 -8.461 -7.775 1.00 0.00 N ATOM 148 CA ARG A 10 -3.430 -8.775 -6.844 1.00 0.00 C ATOM 149 C ARG A 10 -4.063 -7.519 -6.306 1.00 0.00 C ATOM 150 O ARG A 10 -5.291 -7.373 -6.297 1.00 0.00 O ATOM 151 CB ARG A 10 -2.924 -9.534 -5.659 1.00 0.00 C ATOM 152 CG ARG A 10 -2.668 -11.004 -5.824 1.00 0.00 C ATOM 153 CD ARG A 10 -2.268 -11.546 -4.469 1.00 0.00 C ATOM 154 NE ARG A 10 -3.188 -11.025 -3.434 1.00 0.00 N ATOM 155 CZ ARG A 10 -2.808 -10.477 -2.279 1.00 0.00 C ATOM 156 NH1 ARG A 10 -1.593 -10.689 -1.807 1.00 0.00 N ATOM 157 NH2 ARG A 10 -3.665 -9.736 -1.579 1.00 0.00 N ATOM 0 H ARG A 10 -1.427 -8.765 -7.470 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.151 -9.369 -7.405 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.994 -9.067 -5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.643 -9.408 -4.849 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.560 -11.510 -6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.878 -11.177 -6.555 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.296 -12.636 -4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.243 -11.256 -4.238 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.189 -11.090 -3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.939 -11.275 -2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.308 -10.267 -0.923 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.613 -9.587 -1.926 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.374 -9.317 -0.696 1.00 0.00 H new ATOM 171 N ALA A 11 -3.210 -6.612 -5.868 1.00 0.00 N ATOM 172 CA ALA A 11 -3.629 -5.372 -5.253 1.00 0.00 C ATOM 173 C ALA A 11 -4.484 -4.557 -6.200 1.00 0.00 C ATOM 174 O ALA A 11 -5.410 -3.899 -5.778 1.00 0.00 O ATOM 175 CB ALA A 11 -2.424 -4.570 -4.791 1.00 0.00 C ATOM 0 H ALA A 11 -2.198 -6.719 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.235 -5.616 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.760 -3.641 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.858 -5.151 -4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.789 -4.342 -5.647 1.00 0.00 H new ATOM 181 N LEU A 12 -4.188 -4.646 -7.482 1.00 0.00 N ATOM 182 CA LEU A 12 -4.929 -3.914 -8.486 1.00 0.00 C ATOM 183 C LEU A 12 -6.372 -4.439 -8.587 1.00 0.00 C ATOM 184 O LEU A 12 -7.312 -3.654 -8.697 1.00 0.00 O ATOM 185 CB LEU A 12 -4.230 -4.006 -9.837 1.00 0.00 C ATOM 186 CG LEU A 12 -4.712 -3.036 -10.923 1.00 0.00 C ATOM 187 CD1 LEU A 12 -4.507 -1.588 -10.496 1.00 0.00 C ATOM 188 CD2 LEU A 12 -3.994 -3.304 -12.231 1.00 0.00 C ATOM 0 H LEU A 12 -3.433 -5.223 -7.853 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.967 -2.866 -8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.164 -3.842 -9.682 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.345 -5.023 -10.212 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.780 -3.200 -11.068 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.858 -0.923 -11.285 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.069 -1.395 -9.582 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.447 -1.409 -10.315 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.348 -2.607 -12.990 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.921 -3.173 -12.091 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.196 -4.325 -12.554 1.00 0.00 H new ATOM 200 N LYS A 13 -6.547 -5.763 -8.515 1.00 0.00 N ATOM 201 CA LYS A 13 -7.895 -6.357 -8.553 1.00 0.00 C ATOM 202 C LYS A 13 -8.672 -5.936 -7.329 1.00 0.00 C ATOM 203 O LYS A 13 -9.843 -5.567 -7.415 1.00 0.00 O ATOM 204 CB LYS A 13 -7.878 -7.906 -8.639 1.00 0.00 C ATOM 205 CG LYS A 13 -7.559 -8.512 -10.011 1.00 0.00 C ATOM 206 CD LYS A 13 -6.177 -8.169 -10.485 1.00 0.00 C ATOM 207 CE LYS A 13 -5.807 -8.848 -11.793 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.732 -10.315 -11.677 1.00 0.00 N ATOM 0 H LYS A 13 -5.787 -6.438 -8.431 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.373 -5.989 -9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.146 -8.279 -7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.853 -8.276 -8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.663 -9.596 -9.959 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.288 -8.157 -10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.100 -7.089 -10.609 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.456 -8.454 -9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.543 -8.586 -12.553 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.845 -8.466 -12.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.299 -10.710 -12.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.154 -10.569 -10.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.690 -10.704 -11.562 1.00 0.00 H new ATOM 222 N GLU A 14 -8.000 -5.951 -6.199 1.00 0.00 N ATOM 223 CA GLU A 14 -8.602 -5.577 -4.944 1.00 0.00 C ATOM 224 C GLU A 14 -8.920 -4.078 -4.893 1.00 0.00 C ATOM 225 O GLU A 14 -9.919 -3.671 -4.335 1.00 0.00 O ATOM 226 CB GLU A 14 -7.782 -6.074 -3.758 1.00 0.00 C ATOM 227 CG GLU A 14 -7.647 -7.591 -3.779 1.00 0.00 C ATOM 228 CD GLU A 14 -7.137 -8.198 -2.496 1.00 0.00 C ATOM 229 OE1 GLU A 14 -7.891 -8.235 -1.506 1.00 0.00 O ATOM 230 OE2 GLU A 14 -6.008 -8.735 -2.472 1.00 0.00 O ATOM 0 H GLU A 14 -7.020 -6.224 -6.127 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.565 -6.082 -4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.792 -5.618 -3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.256 -5.761 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.620 -8.025 -4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.974 -7.871 -4.590 1.00 0.00 H new ATOM 237 N TRP A 15 -8.069 -3.286 -5.492 1.00 0.00 N ATOM 238 CA TRP A 15 -8.264 -1.842 -5.639 1.00 0.00 C ATOM 239 C TRP A 15 -9.555 -1.558 -6.448 1.00 0.00 C ATOM 240 O TRP A 15 -10.315 -0.617 -6.155 1.00 0.00 O ATOM 241 CB TRP A 15 -7.021 -1.283 -6.349 1.00 0.00 C ATOM 242 CG TRP A 15 -7.046 0.161 -6.694 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.233 0.692 -7.936 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.858 1.259 -5.799 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.170 2.065 -7.868 1.00 0.00 N ATOM 246 CE2 TRP A 15 -6.943 2.436 -6.563 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.626 1.359 -4.422 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.802 3.702 -5.998 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.486 2.611 -3.864 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.575 3.766 -4.649 1.00 0.00 C ATOM 0 H TRP A 15 -7.198 -3.621 -5.905 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.384 -1.360 -4.669 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.154 -1.467 -5.714 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.869 -1.850 -7.267 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -7.405 0.121 -8.837 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.275 2.703 -8.657 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.558 0.472 -3.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.869 4.596 -6.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -6.305 2.702 -2.803 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.462 4.732 -4.179 1.00 0.00 H new ATOM 261 N ARG A 16 -9.798 -2.386 -7.448 1.00 0.00 N ATOM 262 CA ARG A 16 -11.007 -2.294 -8.258 1.00 0.00 C ATOM 263 C ARG A 16 -12.205 -2.797 -7.453 1.00 0.00 C ATOM 264 O ARG A 16 -13.316 -2.276 -7.571 1.00 0.00 O ATOM 265 CB ARG A 16 -10.850 -3.102 -9.544 1.00 0.00 C ATOM 266 CG ARG A 16 -9.744 -2.598 -10.449 1.00 0.00 C ATOM 267 CD ARG A 16 -9.538 -3.514 -11.636 1.00 0.00 C ATOM 268 NE ARG A 16 -8.475 -3.029 -12.517 1.00 0.00 N ATOM 269 CZ ARG A 16 -7.780 -3.771 -13.390 1.00 0.00 C ATOM 270 NH1 ARG A 16 -8.011 -5.067 -13.504 1.00 0.00 N ATOM 271 NH2 ARG A 16 -6.853 -3.196 -14.147 1.00 0.00 N ATOM 0 H ARG A 16 -9.168 -3.139 -7.724 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.175 -1.252 -8.529 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.651 -4.142 -9.287 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.792 -3.083 -10.092 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.988 -1.595 -10.800 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.816 -2.520 -9.883 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.290 -4.515 -11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.468 -3.595 -12.199 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.242 -2.037 -12.462 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.724 -5.511 -12.925 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.477 -5.623 -14.171 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.674 -2.196 -14.062 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.320 -3.755 -14.814 1.00 0.00 H new ATOM 285 N LYS A 17 -11.948 -3.802 -6.627 1.00 0.00 N ATOM 286 CA LYS A 17 -12.924 -4.389 -5.719 1.00 0.00 C ATOM 287 C LYS A 17 -13.370 -3.366 -4.667 1.00 0.00 C ATOM 288 O LYS A 17 -14.513 -3.381 -4.215 1.00 0.00 O ATOM 289 CB LYS A 17 -12.297 -5.613 -5.045 1.00 0.00 C ATOM 290 CG LYS A 17 -13.150 -6.262 -3.985 1.00 0.00 C ATOM 291 CD LYS A 17 -12.443 -7.441 -3.361 1.00 0.00 C ATOM 292 CE LYS A 17 -13.215 -7.960 -2.171 1.00 0.00 C ATOM 293 NZ LYS A 17 -14.567 -8.437 -2.530 1.00 0.00 N ATOM 0 H LYS A 17 -11.030 -4.243 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.807 -4.692 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.069 -6.354 -5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.349 -5.316 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.395 -5.532 -3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.092 -6.590 -4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.328 -8.234 -4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.441 -7.147 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.658 -8.775 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.300 -7.169 -1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -15.007 -8.889 -1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.150 -7.631 -2.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.497 -9.127 -3.305 1.00 0.00 H new ATOM 307 N LEU A 18 -12.465 -2.496 -4.288 1.00 0.00 N ATOM 308 CA LEU A 18 -12.738 -1.448 -3.322 1.00 0.00 C ATOM 309 C LEU A 18 -13.765 -0.460 -3.817 1.00 0.00 C ATOM 310 O LEU A 18 -13.870 -0.190 -5.024 1.00 0.00 O ATOM 311 CB LEU A 18 -11.467 -0.697 -2.947 1.00 0.00 C ATOM 312 CG LEU A 18 -10.857 -1.023 -1.591 1.00 0.00 C ATOM 313 CD1 LEU A 18 -10.486 -2.487 -1.470 1.00 0.00 C ATOM 314 CD2 LEU A 18 -9.666 -0.137 -1.343 1.00 0.00 C ATOM 0 H LEU A 18 -11.508 -2.492 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.140 -1.949 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.717 -0.892 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.682 0.371 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.609 -0.830 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.055 -2.673 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.378 -3.100 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.758 -2.743 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.232 -0.374 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.922 -0.301 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.980 0.907 -1.356 1.00 0.00 H new ATOM 326 N GLY A 19 -14.525 0.057 -2.878 1.00 0.00 N ATOM 327 CA GLY A 19 -15.500 1.074 -3.180 1.00 0.00 C ATOM 328 C GLY A 19 -14.803 2.379 -3.480 1.00 0.00 C ATOM 329 O GLY A 19 -13.741 2.654 -2.892 1.00 0.00 O ATOM 0 H GLY A 19 -14.484 -0.213 -1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.104 0.769 -4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.180 1.200 -2.338 1.00 0.00 H new ATOM 333 N SER A 20 -15.392 3.168 -4.354 1.00 0.00 N ATOM 334 CA SER A 20 -14.826 4.415 -4.846 1.00 0.00 C ATOM 335 C SER A 20 -14.367 5.340 -3.724 1.00 0.00 C ATOM 336 O SER A 20 -13.216 5.714 -3.665 1.00 0.00 O ATOM 337 CB SER A 20 -15.858 5.096 -5.726 1.00 0.00 C ATOM 338 OG SER A 20 -17.122 5.103 -5.078 1.00 0.00 O ATOM 0 H SER A 20 -16.305 2.957 -4.756 1.00 0.00 H new ATOM 0 HA SER A 20 -13.930 4.184 -5.422 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.546 6.118 -5.943 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.933 4.576 -6.681 1.00 0.00 H new ATOM 0 HG SER A 20 -17.781 5.546 -5.652 1.00 0.00 H new ATOM 344 N THR A 21 -15.259 5.638 -2.825 1.00 0.00 N ATOM 345 CA THR A 21 -14.995 6.529 -1.718 1.00 0.00 C ATOM 346 C THR A 21 -13.833 6.013 -0.845 1.00 0.00 C ATOM 347 O THR A 21 -12.952 6.779 -0.455 1.00 0.00 O ATOM 348 CB THR A 21 -16.274 6.699 -0.881 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.347 7.071 -1.765 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.104 7.789 0.165 1.00 0.00 C ATOM 0 H THR A 21 -16.209 5.266 -2.835 1.00 0.00 H new ATOM 0 HA THR A 21 -14.694 7.498 -2.115 1.00 0.00 H new ATOM 0 HB THR A 21 -16.489 5.760 -0.370 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.172 7.182 -1.249 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.024 7.887 0.741 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.283 7.527 0.833 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.883 8.735 -0.328 1.00 0.00 H new ATOM 358 N VAL A 22 -13.797 4.709 -0.619 1.00 0.00 N ATOM 359 CA VAL A 22 -12.770 4.111 0.215 1.00 0.00 C ATOM 360 C VAL A 22 -11.419 4.215 -0.474 1.00 0.00 C ATOM 361 O VAL A 22 -10.427 4.650 0.128 1.00 0.00 O ATOM 362 CB VAL A 22 -13.076 2.625 0.524 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.981 2.018 1.389 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.427 2.485 1.206 1.00 0.00 C ATOM 0 H VAL A 22 -14.469 4.045 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.751 4.657 1.158 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.109 2.083 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.216 0.974 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.027 2.079 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.914 2.566 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.622 1.433 1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.422 3.045 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.207 2.876 0.553 1.00 0.00 H new ATOM 374 N ARG A 23 -11.395 3.860 -1.744 1.00 0.00 N ATOM 375 CA ARG A 23 -10.175 3.924 -2.499 1.00 0.00 C ATOM 376 C ARG A 23 -9.717 5.354 -2.709 1.00 0.00 C ATOM 377 O ARG A 23 -8.537 5.598 -2.741 1.00 0.00 O ATOM 378 CB ARG A 23 -10.215 3.156 -3.813 1.00 0.00 C ATOM 379 CG ARG A 23 -11.308 3.559 -4.760 1.00 0.00 C ATOM 380 CD ARG A 23 -11.023 3.023 -6.135 1.00 0.00 C ATOM 381 NE ARG A 23 -12.057 3.387 -7.105 1.00 0.00 N ATOM 382 CZ ARG A 23 -12.638 2.537 -7.964 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.377 1.221 -7.905 1.00 0.00 N ATOM 384 NH2 ARG A 23 -13.490 3.000 -8.870 1.00 0.00 N ATOM 0 H ARG A 23 -12.206 3.527 -2.266 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.433 3.414 -1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.256 3.281 -4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.323 2.094 -3.591 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.266 3.180 -4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.388 4.646 -4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.060 3.402 -6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.940 1.937 -6.088 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.358 4.361 -7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.732 0.860 -7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.824 0.582 -8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.700 3.997 -8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.935 2.358 -9.526 1.00 0.00 H new ATOM 398 N GLU A 24 -10.655 6.290 -2.875 1.00 0.00 N ATOM 399 CA GLU A 24 -10.301 7.696 -3.018 1.00 0.00 C ATOM 400 C GLU A 24 -9.534 8.192 -1.828 1.00 0.00 C ATOM 401 O GLU A 24 -8.516 8.847 -1.993 1.00 0.00 O ATOM 402 CB GLU A 24 -11.494 8.602 -3.236 1.00 0.00 C ATOM 403 CG GLU A 24 -12.184 8.437 -4.559 1.00 0.00 C ATOM 404 CD GLU A 24 -13.177 9.527 -4.784 1.00 0.00 C ATOM 405 OE1 GLU A 24 -14.152 9.637 -4.015 1.00 0.00 O ATOM 406 OE2 GLU A 24 -12.973 10.341 -5.712 1.00 0.00 O ATOM 0 H GLU A 24 -11.656 6.098 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.679 7.739 -3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.218 8.422 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.167 9.637 -3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.446 8.441 -5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.686 7.470 -4.593 1.00 0.00 H new ATOM 413 N GLN A 25 -9.998 7.866 -0.631 1.00 0.00 N ATOM 414 CA GLN A 25 -9.298 8.305 0.562 1.00 0.00 C ATOM 415 C GLN A 25 -7.951 7.629 0.703 1.00 0.00 C ATOM 416 O GLN A 25 -6.989 8.250 1.148 1.00 0.00 O ATOM 417 CB GLN A 25 -10.135 8.222 1.842 1.00 0.00 C ATOM 418 CG GLN A 25 -11.053 9.425 2.068 1.00 0.00 C ATOM 419 CD GLN A 25 -12.188 9.552 1.078 1.00 0.00 C ATOM 420 OE1 GLN A 25 -12.057 10.170 0.012 1.00 0.00 O ATOM 421 NE2 GLN A 25 -13.314 9.010 1.431 1.00 0.00 N ATOM 0 H GLN A 25 -10.837 7.311 -0.463 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.114 9.370 0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.742 7.317 1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.465 8.125 2.696 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.471 9.361 3.072 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.453 10.334 2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.383 8.509 2.317 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.129 9.085 0.823 1.00 0.00 H new ATOM 430 N LEU A 26 -7.870 6.374 0.296 1.00 0.00 N ATOM 431 CA LEU A 26 -6.593 5.678 0.272 1.00 0.00 C ATOM 432 C LEU A 26 -5.661 6.323 -0.746 1.00 0.00 C ATOM 433 O LEU A 26 -4.494 6.516 -0.471 1.00 0.00 O ATOM 434 CB LEU A 26 -6.768 4.186 -0.014 1.00 0.00 C ATOM 435 CG LEU A 26 -7.410 3.355 1.108 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.623 1.931 0.653 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.528 3.367 2.352 1.00 0.00 C ATOM 0 H LEU A 26 -8.665 5.819 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.144 5.765 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.376 4.078 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.789 3.762 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.375 3.800 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.078 1.356 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.281 1.921 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.664 1.487 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.998 2.774 3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.553 2.943 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.402 4.393 2.699 1.00 0.00 H new ATOM 449 N LYS A 27 -6.204 6.677 -1.903 1.00 0.00 N ATOM 450 CA LYS A 27 -5.471 7.379 -2.948 1.00 0.00 C ATOM 451 C LYS A 27 -4.945 8.711 -2.412 1.00 0.00 C ATOM 452 O LYS A 27 -3.812 9.090 -2.679 1.00 0.00 O ATOM 453 CB LYS A 27 -6.388 7.648 -4.137 1.00 0.00 C ATOM 454 CG LYS A 27 -5.718 8.387 -5.287 1.00 0.00 C ATOM 455 CD LYS A 27 -6.727 8.870 -6.318 1.00 0.00 C ATOM 456 CE LYS A 27 -7.627 9.962 -5.741 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.598 10.463 -6.726 1.00 0.00 N ATOM 0 H LYS A 27 -7.176 6.483 -2.145 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.634 6.757 -3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.774 6.698 -4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.245 8.229 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.163 9.240 -4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.994 7.729 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.202 9.253 -7.193 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.337 8.032 -6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.160 9.570 -4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.011 10.789 -5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.186 11.201 -6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.091 10.862 -7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.205 9.681 -7.044 1.00 0.00 H new ATOM 471 N LYS A 28 -5.794 9.418 -1.667 1.00 0.00 N ATOM 472 CA LYS A 28 -5.412 10.676 -1.026 1.00 0.00 C ATOM 473 C LYS A 28 -4.245 10.450 -0.081 1.00 0.00 C ATOM 474 O LYS A 28 -3.284 11.222 -0.067 1.00 0.00 O ATOM 475 CB LYS A 28 -6.594 11.296 -0.277 1.00 0.00 C ATOM 476 CG LYS A 28 -7.739 11.683 -1.169 1.00 0.00 C ATOM 477 CD LYS A 28 -8.890 12.247 -0.376 1.00 0.00 C ATOM 478 CE LYS A 28 -10.089 12.495 -1.264 1.00 0.00 C ATOM 479 NZ LYS A 28 -9.807 13.459 -2.359 1.00 0.00 N ATOM 0 H LYS A 28 -6.759 9.138 -1.492 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.106 11.374 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.951 10.587 0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.249 12.179 0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.401 12.420 -1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.075 10.811 -1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.160 11.555 0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.586 13.179 0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.418 11.549 -1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.912 12.872 -0.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.695 13.707 -2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.376 14.318 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.153 13.027 -3.042 1.00 0.00 H new ATOM 493 N LYS A 29 -4.317 9.362 0.672 1.00 0.00 N ATOM 494 CA LYS A 29 -3.251 8.975 1.576 1.00 0.00 C ATOM 495 C LYS A 29 -1.982 8.640 0.815 1.00 0.00 C ATOM 496 O LYS A 29 -0.893 9.021 1.222 1.00 0.00 O ATOM 497 CB LYS A 29 -3.666 7.800 2.460 1.00 0.00 C ATOM 498 CG LYS A 29 -4.787 8.111 3.436 1.00 0.00 C ATOM 499 CD LYS A 29 -4.397 9.257 4.343 1.00 0.00 C ATOM 500 CE LYS A 29 -5.411 9.485 5.433 1.00 0.00 C ATOM 501 NZ LYS A 29 -5.038 10.643 6.271 1.00 0.00 N ATOM 0 H LYS A 29 -5.115 8.726 0.672 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.050 9.830 2.222 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.977 6.973 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.796 7.460 3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.694 8.366 2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.013 7.228 4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.425 9.051 4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.289 10.167 3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.393 9.653 4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.489 8.593 6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.753 10.778 7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.111 10.470 6.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.987 11.497 5.680 1.00 0.00 H new ATOM 515 N LEU A 30 -2.136 7.953 -0.290 1.00 0.00 N ATOM 516 CA LEU A 30 -1.022 7.592 -1.131 1.00 0.00 C ATOM 517 C LEU A 30 -0.363 8.824 -1.715 1.00 0.00 C ATOM 518 O LEU A 30 0.845 8.979 -1.637 1.00 0.00 O ATOM 519 CB LEU A 30 -1.469 6.657 -2.259 1.00 0.00 C ATOM 520 CG LEU A 30 -2.071 5.324 -1.821 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.502 4.508 -3.023 1.00 0.00 C ATOM 522 CD2 LEU A 30 -1.092 4.551 -0.954 1.00 0.00 C ATOM 0 H LEU A 30 -3.040 7.628 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.296 7.069 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.203 7.182 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.610 6.453 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.958 5.529 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.928 3.563 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.250 5.062 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.638 4.312 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.541 3.605 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.180 4.357 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.851 5.136 -0.067 1.00 0.00 H new ATOM 534 N VAL A 31 -1.164 9.729 -2.244 1.00 0.00 N ATOM 535 CA VAL A 31 -0.630 10.911 -2.883 1.00 0.00 C ATOM 536 C VAL A 31 0.058 11.846 -1.864 1.00 0.00 C ATOM 537 O VAL A 31 1.086 12.466 -2.184 1.00 0.00 O ATOM 538 CB VAL A 31 -1.690 11.660 -3.770 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.763 12.355 -2.959 1.00 0.00 C ATOM 540 CG2 VAL A 31 -1.034 12.620 -4.740 1.00 0.00 C ATOM 0 H VAL A 31 -2.182 9.667 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 31 0.140 10.571 -3.575 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.192 10.884 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.462 12.852 -3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.298 11.620 -2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.302 13.094 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.801 13.117 -5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.465 13.366 -4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.364 12.069 -5.400 1.00 0.00 H new ATOM 550 N GLU A 32 -0.490 11.947 -0.639 1.00 0.00 N ATOM 551 CA GLU A 32 0.176 12.730 0.385 1.00 0.00 C ATOM 552 C GLU A 32 1.471 12.047 0.839 1.00 0.00 C ATOM 553 O GLU A 32 2.526 12.673 0.861 1.00 0.00 O ATOM 554 CB GLU A 32 -0.733 13.090 1.589 1.00 0.00 C ATOM 555 CG GLU A 32 -1.293 11.909 2.362 1.00 0.00 C ATOM 556 CD GLU A 32 -2.036 12.311 3.613 1.00 0.00 C ATOM 557 OE1 GLU A 32 -3.166 12.831 3.516 1.00 0.00 O ATOM 558 OE2 GLU A 32 -1.504 12.100 4.730 1.00 0.00 O ATOM 0 H GLU A 32 -1.364 11.507 -0.352 1.00 0.00 H new ATOM 0 HA GLU A 32 0.429 13.683 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.164 13.715 2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.566 13.692 1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.965 11.346 1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.476 11.240 2.632 1.00 0.00 H new ATOM 565 N VAL A 33 1.395 10.738 1.083 1.00 0.00 N ATOM 566 CA VAL A 33 2.501 9.962 1.626 1.00 0.00 C ATOM 567 C VAL A 33 3.722 9.952 0.694 1.00 0.00 C ATOM 568 O VAL A 33 4.831 9.872 1.156 1.00 0.00 O ATOM 569 CB VAL A 33 2.100 8.511 2.064 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.061 7.524 0.905 1.00 0.00 C ATOM 571 CG2 VAL A 33 2.986 8.017 3.194 1.00 0.00 C ATOM 0 H VAL A 33 0.556 10.186 0.907 1.00 0.00 H new ATOM 0 HA VAL A 33 2.789 10.483 2.539 1.00 0.00 H new ATOM 0 HB VAL A 33 1.077 8.571 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.777 6.539 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.332 7.858 0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.046 7.467 0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.685 7.008 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.025 8.007 2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.885 8.681 4.053 1.00 0.00 H new ATOM 581 N LEU A 34 3.491 10.059 -0.618 1.00 0.00 N ATOM 582 CA LEU A 34 4.561 10.021 -1.642 1.00 0.00 C ATOM 583 C LEU A 34 5.688 11.036 -1.386 1.00 0.00 C ATOM 584 O LEU A 34 6.803 10.839 -1.865 1.00 0.00 O ATOM 585 CB LEU A 34 3.999 10.241 -3.058 1.00 0.00 C ATOM 586 CG LEU A 34 3.067 9.158 -3.609 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.558 9.545 -4.987 1.00 0.00 C ATOM 588 CD2 LEU A 34 3.771 7.809 -3.661 1.00 0.00 C ATOM 0 H LEU A 34 2.556 10.175 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 34 4.989 9.021 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.460 11.188 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.839 10.347 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 34 2.215 9.070 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.897 8.764 -5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.009 10.484 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.402 9.665 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.088 7.057 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.646 7.880 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.084 7.523 -2.657 1.00 0.00 H new ATOM 600 N GLU A 35 5.404 12.124 -0.669 1.00 0.00 N ATOM 601 CA GLU A 35 6.449 13.103 -0.349 1.00 0.00 C ATOM 602 C GLU A 35 7.479 12.512 0.628 1.00 0.00 C ATOM 603 O GLU A 35 8.660 12.869 0.603 1.00 0.00 O ATOM 604 CB GLU A 35 5.854 14.379 0.252 1.00 0.00 C ATOM 605 CG GLU A 35 5.069 14.151 1.528 1.00 0.00 C ATOM 606 CD GLU A 35 4.539 15.411 2.120 1.00 0.00 C ATOM 607 OE1 GLU A 35 3.846 16.174 1.414 1.00 0.00 O ATOM 608 OE2 GLU A 35 4.807 15.683 3.304 1.00 0.00 O ATOM 0 H GLU A 35 4.479 12.349 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 35 6.947 13.355 -1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.661 15.083 0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.201 14.846 -0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.238 13.476 1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.709 13.655 2.258 1.00 0.00 H new ATOM 615 N SER A 36 7.023 11.621 1.484 1.00 0.00 N ATOM 616 CA SER A 36 7.849 10.983 2.481 1.00 0.00 C ATOM 617 C SER A 36 7.217 9.662 2.918 1.00 0.00 C ATOM 618 O SER A 36 6.566 9.597 3.933 1.00 0.00 O ATOM 619 CB SER A 36 8.062 11.900 3.705 1.00 0.00 C ATOM 620 OG SER A 36 8.738 13.107 3.342 1.00 0.00 O ATOM 0 H SER A 36 6.050 11.316 1.504 1.00 0.00 H new ATOM 0 HA SER A 36 8.824 10.786 2.035 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.098 12.142 4.152 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.641 11.371 4.462 1.00 0.00 H new ATOM 0 HG SER A 36 8.921 13.102 2.379 1.00 0.00 H new ATOM 626 N PRO A 37 7.337 8.598 2.110 1.00 0.00 N ATOM 627 CA PRO A 37 6.766 7.298 2.459 1.00 0.00 C ATOM 628 C PRO A 37 7.654 6.523 3.424 1.00 0.00 C ATOM 629 O PRO A 37 7.315 5.447 3.862 1.00 0.00 O ATOM 630 CB PRO A 37 6.670 6.587 1.113 1.00 0.00 C ATOM 631 CG PRO A 37 7.798 7.149 0.320 1.00 0.00 C ATOM 632 CD PRO A 37 7.951 8.583 0.765 1.00 0.00 C ATOM 0 HA PRO A 37 5.808 7.388 2.972 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.762 5.507 1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.711 6.776 0.630 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.715 6.587 0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.589 7.093 -0.748 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.999 8.882 0.799 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.445 9.269 0.086 1.00 0.00 H new ATOM 640 N ARG A 38 8.765 7.119 3.784 1.00 0.00 N ATOM 641 CA ARG A 38 9.746 6.495 4.658 1.00 0.00 C ATOM 642 C ARG A 38 9.447 6.739 6.150 1.00 0.00 C ATOM 643 O ARG A 38 10.342 6.651 6.996 1.00 0.00 O ATOM 644 CB ARG A 38 11.175 6.936 4.249 1.00 0.00 C ATOM 645 CG ARG A 38 11.417 8.455 4.100 1.00 0.00 C ATOM 646 CD ARG A 38 11.414 9.209 5.427 1.00 0.00 C ATOM 647 NE ARG A 38 12.449 8.721 6.355 1.00 0.00 N ATOM 648 CZ ARG A 38 12.782 9.305 7.513 1.00 0.00 C ATOM 649 NH1 ARG A 38 12.200 10.434 7.886 1.00 0.00 N ATOM 650 NH2 ARG A 38 13.701 8.756 8.286 1.00 0.00 N ATOM 0 H ARG A 38 9.022 8.058 3.480 1.00 0.00 H new ATOM 0 HA ARG A 38 9.680 5.415 4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.875 6.551 4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.420 6.458 3.301 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.374 8.615 3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.648 8.875 3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.571 10.271 5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.435 9.110 5.895 1.00 0.00 H new ATOM 0 HE ARG A 38 12.951 7.872 6.095 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.493 10.864 7.290 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.459 10.873 8.769 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.156 7.889 8.001 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.956 9.199 9.169 1.00 0.00 H new ATOM 664 N ILE A 39 8.181 6.929 6.461 1.00 0.00 N ATOM 665 CA ILE A 39 7.753 7.247 7.818 1.00 0.00 C ATOM 666 C ILE A 39 7.661 5.959 8.624 1.00 0.00 C ATOM 667 O ILE A 39 6.712 5.174 8.478 1.00 0.00 O ATOM 668 CB ILE A 39 6.371 7.983 7.817 1.00 0.00 C ATOM 669 CG1 ILE A 39 6.483 9.295 7.037 1.00 0.00 C ATOM 670 CG2 ILE A 39 5.878 8.251 9.244 1.00 0.00 C ATOM 671 CD1 ILE A 39 5.172 10.037 6.861 1.00 0.00 C ATOM 0 H ILE A 39 7.418 6.869 5.787 1.00 0.00 H new ATOM 0 HA ILE A 39 8.485 7.916 8.271 1.00 0.00 H new ATOM 0 HB ILE A 39 5.641 7.336 7.331 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.189 9.948 7.549 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.901 9.083 6.053 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.916 8.763 9.207 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.765 7.305 9.774 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.602 8.876 9.768 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.346 10.954 6.298 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.467 9.406 6.320 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.760 10.285 7.839 1.00 0.00 H new ATOM 683 N GLU A 40 8.656 5.750 9.469 1.00 0.00 N ATOM 684 CA GLU A 40 8.793 4.528 10.231 1.00 0.00 C ATOM 685 C GLU A 40 7.687 4.311 11.260 1.00 0.00 C ATOM 686 O GLU A 40 7.497 3.202 11.742 1.00 0.00 O ATOM 687 CB GLU A 40 10.192 4.344 10.823 1.00 0.00 C ATOM 688 CG GLU A 40 10.664 5.433 11.752 1.00 0.00 C ATOM 689 CD GLU A 40 12.040 5.144 12.272 1.00 0.00 C ATOM 690 OE1 GLU A 40 13.026 5.484 11.592 1.00 0.00 O ATOM 691 OE2 GLU A 40 12.174 4.560 13.369 1.00 0.00 O ATOM 0 H GLU A 40 9.395 6.431 9.644 1.00 0.00 H new ATOM 0 HA GLU A 40 8.663 3.731 9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.215 3.398 11.363 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.904 4.260 10.002 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.664 6.388 11.227 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.970 5.529 12.587 1.00 0.00 H new ATOM 698 N ALA A 41 6.939 5.351 11.573 1.00 0.00 N ATOM 699 CA ALA A 41 5.798 5.220 12.472 1.00 0.00 C ATOM 700 C ALA A 41 4.725 4.318 11.833 1.00 0.00 C ATOM 701 O ALA A 41 3.964 3.637 12.528 1.00 0.00 O ATOM 702 CB ALA A 41 5.220 6.589 12.802 1.00 0.00 C ATOM 0 H ALA A 41 7.096 6.296 11.222 1.00 0.00 H new ATOM 0 HA ALA A 41 6.133 4.759 13.401 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.370 6.473 13.474 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.983 7.199 13.285 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.893 7.077 11.884 1.00 0.00 H new ATOM 708 N ASN A 42 4.716 4.274 10.509 1.00 0.00 N ATOM 709 CA ASN A 42 3.769 3.443 9.759 1.00 0.00 C ATOM 710 C ASN A 42 4.452 2.198 9.219 1.00 0.00 C ATOM 711 O ASN A 42 3.859 1.427 8.466 1.00 0.00 O ATOM 712 CB ASN A 42 3.121 4.233 8.601 1.00 0.00 C ATOM 713 CG ASN A 42 2.164 5.315 9.070 1.00 0.00 C ATOM 714 OD1 ASN A 42 1.508 5.179 10.109 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.069 6.393 8.323 1.00 0.00 N ATOM 0 H ASN A 42 5.358 4.807 9.922 1.00 0.00 H new ATOM 0 HA ASN A 42 2.982 3.142 10.450 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.906 4.689 7.998 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.584 3.540 7.953 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.440 7.148 8.595 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.624 6.474 7.471 1.00 0.00 H new ATOM 722 N LYS A 43 5.681 1.987 9.646 1.00 0.00 N ATOM 723 CA LYS A 43 6.503 0.873 9.197 1.00 0.00 C ATOM 724 C LYS A 43 6.044 -0.440 9.754 1.00 0.00 C ATOM 725 O LYS A 43 5.440 -0.509 10.835 1.00 0.00 O ATOM 726 CB LYS A 43 7.961 1.063 9.567 1.00 0.00 C ATOM 727 CG LYS A 43 8.893 1.080 8.385 1.00 0.00 C ATOM 728 CD LYS A 43 10.322 1.367 8.800 1.00 0.00 C ATOM 729 CE LYS A 43 11.222 1.519 7.587 1.00 0.00 C ATOM 730 NZ LYS A 43 11.622 0.246 6.985 1.00 0.00 N ATOM 0 H LYS A 43 6.146 2.591 10.324 1.00 0.00 H new ATOM 0 HA LYS A 43 6.397 0.856 8.112 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.068 1.999 10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.262 0.262 10.243 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.849 0.118 7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.563 1.836 7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.355 2.278 9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.690 0.558 9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.707 2.119 6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.117 2.070 7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.043 0.421 6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.320 -0.223 7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.787 -0.366 6.879 1.00 0.00 H new ATOM 744 N LEU A 44 6.245 -1.455 8.981 1.00 0.00 N ATOM 745 CA LEU A 44 6.030 -2.797 9.432 1.00 0.00 C ATOM 746 C LEU A 44 7.334 -3.316 9.991 1.00 0.00 C ATOM 747 O LEU A 44 8.376 -3.241 9.326 1.00 0.00 O ATOM 748 CB LEU A 44 5.539 -3.698 8.306 1.00 0.00 C ATOM 749 CG LEU A 44 4.117 -3.453 7.813 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.817 -4.330 6.627 1.00 0.00 C ATOM 751 CD2 LEU A 44 3.127 -3.749 8.912 1.00 0.00 C ATOM 0 H LEU A 44 6.564 -1.381 8.015 1.00 0.00 H new ATOM 0 HA LEU A 44 5.255 -2.799 10.199 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.218 -3.588 7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.611 -4.733 8.640 1.00 0.00 H new ATOM 0 HG LEU A 44 4.031 -2.407 7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.799 -4.144 6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.516 -4.105 5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.919 -5.377 6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.115 -3.570 8.548 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.224 -4.791 9.218 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.326 -3.100 9.765 1.00 0.00 H new ATOM 763 N ARG A 45 7.286 -3.808 11.187 1.00 0.00 N ATOM 764 CA ARG A 45 8.448 -4.290 11.881 1.00 0.00 C ATOM 765 C ARG A 45 8.792 -5.693 11.432 1.00 0.00 C ATOM 766 O ARG A 45 7.923 -6.577 11.386 1.00 0.00 O ATOM 767 CB ARG A 45 8.197 -4.258 13.378 1.00 0.00 C ATOM 768 CG ARG A 45 8.087 -2.857 13.957 1.00 0.00 C ATOM 769 CD ARG A 45 7.566 -2.901 15.378 1.00 0.00 C ATOM 770 NE ARG A 45 6.175 -3.375 15.410 1.00 0.00 N ATOM 771 CZ ARG A 45 5.634 -4.153 16.352 1.00 0.00 C ATOM 772 NH1 ARG A 45 6.367 -4.627 17.339 1.00 0.00 N ATOM 773 NH2 ARG A 45 4.353 -4.465 16.289 1.00 0.00 N ATOM 0 H ARG A 45 6.423 -3.890 11.724 1.00 0.00 H new ATOM 0 HA ARG A 45 9.294 -3.643 11.647 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.277 -4.802 13.593 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.006 -4.786 13.883 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.064 -2.373 13.938 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.421 -2.255 13.339 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.193 -3.559 15.980 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.627 -1.908 15.823 1.00 0.00 H new ATOM 0 HE ARG A 45 5.568 -3.084 14.644 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.360 -4.401 17.391 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.941 -5.220 18.051 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.779 -4.112 15.523 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.937 -5.059 17.006 1.00 0.00 H new ATOM 787 N GLY A 46 10.040 -5.884 11.063 1.00 0.00 N ATOM 788 CA GLY A 46 10.503 -7.178 10.635 1.00 0.00 C ATOM 789 C GLY A 46 10.303 -7.369 9.154 1.00 0.00 C ATOM 790 O GLY A 46 10.454 -8.474 8.623 1.00 0.00 O ATOM 0 H GLY A 46 10.752 -5.154 11.052 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.560 -7.287 10.878 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.968 -7.956 11.180 1.00 0.00 H new ATOM 794 N MET A 47 9.980 -6.299 8.491 1.00 0.00 N ATOM 795 CA MET A 47 9.705 -6.308 7.077 1.00 0.00 C ATOM 796 C MET A 47 10.635 -5.319 6.415 1.00 0.00 C ATOM 797 O MET A 47 10.907 -4.277 6.993 1.00 0.00 O ATOM 798 CB MET A 47 8.250 -5.884 6.844 1.00 0.00 C ATOM 799 CG MET A 47 7.212 -6.816 7.463 1.00 0.00 C ATOM 800 SD MET A 47 7.105 -8.413 6.634 1.00 0.00 S ATOM 801 CE MET A 47 6.422 -7.899 5.058 1.00 0.00 C ATOM 0 H MET A 47 9.898 -5.378 8.921 1.00 0.00 H new ATOM 0 HA MET A 47 9.856 -7.304 6.661 1.00 0.00 H new ATOM 0 HB2 MET A 47 8.108 -4.882 7.249 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.070 -5.822 5.771 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.457 -6.975 8.513 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.236 -6.332 7.433 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.509 -8.460 4.857 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.194 -6.834 5.090 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.147 -8.091 4.267 1.00 0.00 H new ATOM 811 N PRO A 48 11.170 -5.618 5.239 1.00 0.00 N ATOM 812 CA PRO A 48 12.035 -4.686 4.541 1.00 0.00 C ATOM 813 C PRO A 48 11.243 -3.567 3.870 1.00 0.00 C ATOM 814 O PRO A 48 10.593 -3.769 2.835 1.00 0.00 O ATOM 815 CB PRO A 48 12.773 -5.546 3.521 1.00 0.00 C ATOM 816 CG PRO A 48 11.872 -6.712 3.271 1.00 0.00 C ATOM 817 CD PRO A 48 11.014 -6.888 4.505 1.00 0.00 C ATOM 0 HA PRO A 48 12.717 -4.174 5.219 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.964 -4.991 2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.740 -5.870 3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.251 -6.537 2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.454 -7.613 3.075 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.972 -7.071 4.243 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.346 -7.737 5.103 1.00 0.00 H new ATOM 825 N ASP A 49 11.256 -2.420 4.527 1.00 0.00 N ATOM 826 CA ASP A 49 10.606 -1.177 4.077 1.00 0.00 C ATOM 827 C ASP A 49 9.191 -1.364 3.613 1.00 0.00 C ATOM 828 O ASP A 49 8.832 -1.015 2.485 1.00 0.00 O ATOM 829 CB ASP A 49 11.441 -0.397 3.057 1.00 0.00 C ATOM 830 CG ASP A 49 12.730 0.086 3.656 1.00 0.00 C ATOM 831 OD1 ASP A 49 12.697 1.004 4.513 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.796 -0.491 3.351 1.00 0.00 O ATOM 0 H ASP A 49 11.734 -2.313 5.422 1.00 0.00 H new ATOM 0 HA ASP A 49 10.548 -0.561 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.654 -1.032 2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.867 0.454 2.690 1.00 0.00 H new ATOM 837 N CYS A 50 8.400 -1.931 4.467 1.00 0.00 N ATOM 838 CA CYS A 50 7.020 -2.109 4.187 1.00 0.00 C ATOM 839 C CYS A 50 6.266 -1.227 5.154 1.00 0.00 C ATOM 840 O CYS A 50 6.682 -1.079 6.310 1.00 0.00 O ATOM 841 CB CYS A 50 6.638 -3.577 4.354 1.00 0.00 C ATOM 842 SG CYS A 50 7.654 -4.721 3.377 1.00 0.00 S ATOM 0 H CYS A 50 8.697 -2.282 5.377 1.00 0.00 H new ATOM 0 HA CYS A 50 6.778 -1.835 3.160 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.719 -3.845 5.407 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.593 -3.704 4.072 1.00 0.00 H new ATOM 0 HG CYS A 50 8.836 -4.209 3.200 1.00 0.00 H new ATOM 848 N TYR A 51 5.215 -0.622 4.701 1.00 0.00 N ATOM 849 CA TYR A 51 4.465 0.320 5.503 1.00 0.00 C ATOM 850 C TYR A 51 3.000 0.039 5.302 1.00 0.00 C ATOM 851 O TYR A 51 2.627 -0.609 4.308 1.00 0.00 O ATOM 852 CB TYR A 51 4.764 1.777 5.059 1.00 0.00 C ATOM 853 CG TYR A 51 6.235 2.187 5.076 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.104 1.777 4.070 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.747 2.976 6.086 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.433 2.136 4.076 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.084 3.340 6.096 1.00 0.00 C ATOM 858 CZ TYR A 51 8.918 2.914 5.085 1.00 0.00 C ATOM 859 OH TYR A 51 10.254 3.261 5.099 1.00 0.00 O ATOM 0 H TYR A 51 4.843 -0.761 3.762 1.00 0.00 H new ATOM 0 HA TYR A 51 4.747 0.212 6.550 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.379 1.915 4.049 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.209 2.456 5.707 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.727 1.163 3.266 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.097 3.314 6.879 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.088 1.803 3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.471 3.956 6.894 1.00 0.00 H new ATOM 0 HH TYR A 51 10.589 3.311 4.179 1.00 0.00 H new ATOM 869 N LYS A 52 2.174 0.490 6.208 1.00 0.00 N ATOM 870 CA LYS A 52 0.762 0.295 6.056 1.00 0.00 C ATOM 871 C LYS A 52 0.010 1.584 6.317 1.00 0.00 C ATOM 872 O LYS A 52 0.358 2.361 7.216 1.00 0.00 O ATOM 873 CB LYS A 52 0.189 -0.841 6.956 1.00 0.00 C ATOM 874 CG LYS A 52 0.136 -0.553 8.467 1.00 0.00 C ATOM 875 CD LYS A 52 1.486 -0.667 9.153 1.00 0.00 C ATOM 876 CE LYS A 52 1.383 -0.235 10.600 1.00 0.00 C ATOM 877 NZ LYS A 52 2.582 -0.583 11.401 1.00 0.00 N ATOM 0 H LYS A 52 2.454 0.991 7.052 1.00 0.00 H new ATOM 0 HA LYS A 52 0.616 -0.017 5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.821 -1.070 6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.789 -1.737 6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.259 0.451 8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.561 -1.247 8.937 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.842 -1.696 9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.218 -0.048 8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.228 0.843 10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.506 -0.700 11.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.622 0.021 12.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.528 -1.580 11.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.437 -0.434 10.828 1.00 0.00 H new ATOM 891 N ILE A 53 -0.986 1.805 5.526 1.00 0.00 N ATOM 892 CA ILE A 53 -1.885 2.904 5.691 1.00 0.00 C ATOM 893 C ILE A 53 -3.213 2.327 6.116 1.00 0.00 C ATOM 894 O ILE A 53 -3.618 1.265 5.632 1.00 0.00 O ATOM 895 CB ILE A 53 -2.040 3.740 4.378 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.701 4.404 4.019 1.00 0.00 C ATOM 897 CG2 ILE A 53 -3.156 4.792 4.501 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.738 5.244 2.763 1.00 0.00 C ATOM 0 H ILE A 53 -1.205 1.212 4.725 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.495 3.592 6.441 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.326 3.060 3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.386 5.032 4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.055 3.628 3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.233 5.352 3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.104 4.294 4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.923 5.476 5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.247 5.675 2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.020 4.619 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.468 6.045 2.882 1.00 0.00 H new ATOM 910 N LYS A 54 -3.866 2.988 7.016 1.00 0.00 N ATOM 911 CA LYS A 54 -5.110 2.520 7.533 1.00 0.00 C ATOM 912 C LYS A 54 -6.155 3.596 7.407 1.00 0.00 C ATOM 913 O LYS A 54 -5.892 4.786 7.688 1.00 0.00 O ATOM 914 CB LYS A 54 -5.014 1.952 8.988 1.00 0.00 C ATOM 915 CG LYS A 54 -4.497 2.909 10.063 1.00 0.00 C ATOM 916 CD LYS A 54 -3.017 3.204 9.904 1.00 0.00 C ATOM 917 CE LYS A 54 -2.576 4.288 10.836 1.00 0.00 C ATOM 918 NZ LYS A 54 -2.546 3.839 12.239 1.00 0.00 N ATOM 0 H LYS A 54 -3.550 3.872 7.415 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.411 1.666 6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.005 1.608 9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.365 1.077 8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.059 3.842 10.017 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.676 2.477 11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.441 2.299 10.097 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.811 3.500 8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.584 4.633 10.546 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.249 5.140 10.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.235 4.623 12.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.498 3.534 12.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.884 3.043 12.335 1.00 0.00 H new ATOM 932 N LEU A 55 -7.284 3.199 6.925 1.00 0.00 N ATOM 933 CA LEU A 55 -8.404 4.065 6.702 1.00 0.00 C ATOM 934 C LEU A 55 -9.241 3.997 7.983 1.00 0.00 C ATOM 935 O LEU A 55 -9.413 2.913 8.542 1.00 0.00 O ATOM 936 CB LEU A 55 -9.167 3.509 5.463 1.00 0.00 C ATOM 937 CG LEU A 55 -9.949 4.479 4.551 1.00 0.00 C ATOM 938 CD1 LEU A 55 -11.170 5.059 5.211 1.00 0.00 C ATOM 939 CD2 LEU A 55 -9.041 5.580 4.052 1.00 0.00 C ATOM 0 H LEU A 55 -7.464 2.229 6.665 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.141 5.103 6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.440 2.989 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.872 2.760 5.823 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.306 3.892 3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.674 5.732 4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.848 4.254 5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.874 5.612 6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.607 6.256 3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.642 6.135 4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.219 5.144 3.484 1.00 0.00 H new ATOM 951 N ARG A 56 -9.710 5.127 8.480 1.00 0.00 N ATOM 952 CA ARG A 56 -10.428 5.118 9.756 1.00 0.00 C ATOM 953 C ARG A 56 -11.926 5.321 9.591 1.00 0.00 C ATOM 954 O ARG A 56 -12.700 5.056 10.498 1.00 0.00 O ATOM 955 CB ARG A 56 -9.813 6.113 10.759 1.00 0.00 C ATOM 956 CG ARG A 56 -9.766 7.557 10.283 1.00 0.00 C ATOM 957 CD ARG A 56 -9.012 8.442 11.264 1.00 0.00 C ATOM 958 NE ARG A 56 -7.623 7.976 11.461 1.00 0.00 N ATOM 959 CZ ARG A 56 -6.525 8.752 11.430 1.00 0.00 C ATOM 960 NH1 ARG A 56 -6.621 10.067 11.204 1.00 0.00 N ATOM 961 NH2 ARG A 56 -5.337 8.205 11.635 1.00 0.00 N ATOM 0 H ARG A 56 -9.615 6.042 8.040 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.306 4.119 10.175 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.383 6.070 11.687 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.799 5.790 10.993 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.286 7.604 9.306 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.781 7.933 10.158 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.003 9.468 10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.533 8.451 12.222 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.486 6.980 11.635 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.535 10.493 11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.780 10.644 11.183 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.261 7.204 11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.498 8.785 11.614 1.00 0.00 H new ATOM 975 N SER A 57 -12.332 5.782 8.433 1.00 0.00 N ATOM 976 CA SER A 57 -13.744 5.954 8.146 1.00 0.00 C ATOM 977 C SER A 57 -14.373 4.591 7.811 1.00 0.00 C ATOM 978 O SER A 57 -15.553 4.356 8.052 1.00 0.00 O ATOM 979 CB SER A 57 -13.899 6.924 6.986 1.00 0.00 C ATOM 980 OG SER A 57 -13.159 8.112 7.245 1.00 0.00 O ATOM 0 H SER A 57 -11.708 6.046 7.671 1.00 0.00 H new ATOM 0 HA SER A 57 -14.258 6.362 9.017 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.548 6.461 6.064 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.952 7.166 6.841 1.00 0.00 H new ATOM 0 HG SER A 57 -13.262 8.732 6.493 1.00 0.00 H new ATOM 986 N SER A 58 -13.555 3.712 7.292 1.00 0.00 N ATOM 987 CA SER A 58 -13.924 2.365 6.936 1.00 0.00 C ATOM 988 C SER A 58 -12.711 1.514 7.252 1.00 0.00 C ATOM 989 O SER A 58 -11.595 1.973 7.023 1.00 0.00 O ATOM 990 CB SER A 58 -14.234 2.282 5.432 1.00 0.00 C ATOM 991 OG SER A 58 -15.232 3.223 5.046 1.00 0.00 O ATOM 0 H SER A 58 -12.576 3.922 7.098 1.00 0.00 H new ATOM 0 HA SER A 58 -14.810 2.034 7.478 1.00 0.00 H new ATOM 0 HB2 SER A 58 -13.323 2.464 4.862 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.569 1.275 5.185 1.00 0.00 H new ATOM 0 HG SER A 58 -15.402 3.143 4.084 1.00 0.00 H new ATOM 997 N GLY A 59 -12.904 0.323 7.788 1.00 0.00 N ATOM 998 CA GLY A 59 -11.784 -0.519 8.176 1.00 0.00 C ATOM 999 C GLY A 59 -11.035 -1.130 6.996 1.00 0.00 C ATOM 1000 O GLY A 59 -11.176 -2.326 6.706 1.00 0.00 O ATOM 0 H GLY A 59 -13.823 -0.084 7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.087 0.071 8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.150 -1.321 8.817 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.260 -0.327 6.320 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.450 -0.769 5.215 1.00 0.00 C ATOM 1006 C TYR A 60 -8.007 -0.421 5.453 1.00 0.00 C ATOM 1007 O TYR A 60 -7.695 0.619 6.014 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.938 -0.195 3.885 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.169 -0.880 3.335 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.450 -0.529 3.746 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.040 -1.881 2.393 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.562 -1.166 3.225 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.138 -2.520 1.871 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.395 -2.162 2.287 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.489 -2.805 1.761 1.00 0.00 O ATOM 0 H TYR A 60 -10.171 0.669 6.523 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.542 -1.853 5.149 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.153 0.866 4.016 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.135 -0.270 3.152 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.579 0.251 4.482 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.054 -2.168 2.059 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.553 -0.885 3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.012 -3.301 1.136 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.193 -3.478 1.113 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.144 -1.313 5.073 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.730 -1.155 5.245 1.00 0.00 C ATOM 1027 C ARG A 61 -5.071 -1.355 3.904 1.00 0.00 C ATOM 1028 O ARG A 61 -5.578 -2.106 3.057 1.00 0.00 O ATOM 1029 CB ARG A 61 -5.134 -2.182 6.247 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.613 -2.106 7.710 1.00 0.00 C ATOM 1031 CD ARG A 61 -7.063 -2.551 7.891 1.00 0.00 C ATOM 1032 NE ARG A 61 -7.433 -2.651 9.301 1.00 0.00 N ATOM 1033 CZ ARG A 61 -8.594 -3.116 9.775 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -9.609 -3.388 8.945 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -8.754 -3.277 11.085 1.00 0.00 N ATOM 0 H ARG A 61 -7.408 -2.191 4.625 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.547 -0.158 5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.351 -3.182 5.873 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.050 -2.068 6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.968 -2.729 8.330 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.506 -1.082 8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.725 -1.843 7.392 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.209 -3.518 7.409 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.744 -2.338 9.985 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.501 -3.241 7.941 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.490 -3.742 9.316 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.993 -3.046 11.724 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.638 -3.631 11.451 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.986 -0.698 3.702 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.237 -0.817 2.492 1.00 0.00 C ATOM 1051 C LEU A 62 -1.775 -0.999 2.876 1.00 0.00 C ATOM 1052 O LEU A 62 -1.230 -0.199 3.631 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.490 0.442 1.619 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.898 0.474 0.195 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.582 1.548 -0.626 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.418 0.772 0.228 1.00 0.00 C ATOM 0 H LEU A 62 -3.583 -0.051 4.380 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.540 -1.677 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.568 0.577 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.102 1.305 2.160 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.058 -0.507 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.158 1.564 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.649 1.335 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.431 2.519 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.027 0.788 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.253 1.742 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.904 0.000 0.802 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.166 -2.057 2.390 1.00 0.00 N ATOM 1069 CA VAL A 63 0.210 -2.382 2.724 1.00 0.00 C ATOM 1070 C VAL A 63 1.070 -2.317 1.474 1.00 0.00 C ATOM 1071 O VAL A 63 0.731 -2.922 0.434 1.00 0.00 O ATOM 1072 CB VAL A 63 0.323 -3.793 3.380 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.770 -4.145 3.701 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.513 -3.854 4.645 1.00 0.00 C ATOM 0 H VAL A 63 -1.607 -2.719 1.752 1.00 0.00 H new ATOM 0 HA VAL A 63 0.564 -1.650 3.450 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.053 -4.522 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.811 -5.134 4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.357 -4.144 2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.178 -3.409 4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.425 -4.844 5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.159 -3.104 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.557 -3.658 4.401 1.00 0.00 H new ATOM 1084 N TYR A 64 2.159 -1.601 1.560 1.00 0.00 N ATOM 1085 CA TYR A 64 3.028 -1.408 0.434 1.00 0.00 C ATOM 1086 C TYR A 64 4.485 -1.499 0.833 1.00 0.00 C ATOM 1087 O TYR A 64 4.823 -1.349 2.012 1.00 0.00 O ATOM 1088 CB TYR A 64 2.737 -0.060 -0.262 1.00 0.00 C ATOM 1089 CG TYR A 64 2.855 1.197 0.600 1.00 0.00 C ATOM 1090 CD1 TYR A 64 4.075 1.628 1.116 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.742 1.963 0.865 1.00 0.00 C ATOM 1092 CE1 TYR A 64 4.165 2.777 1.866 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.824 3.113 1.608 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.037 3.516 2.110 1.00 0.00 C ATOM 1095 OH TYR A 64 3.120 4.665 2.856 1.00 0.00 O ATOM 0 H TYR A 64 2.467 -1.136 2.414 1.00 0.00 H new ATOM 0 HA TYR A 64 2.828 -2.212 -0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.419 0.041 -1.106 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.727 -0.099 -0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.966 1.049 0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.783 1.651 0.479 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.119 3.095 2.260 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.937 3.700 1.798 1.00 0.00 H new ATOM 0 HH TYR A 64 4.004 5.070 2.736 1.00 0.00 H new ATOM 1105 N GLN A 65 5.328 -1.767 -0.126 1.00 0.00 N ATOM 1106 CA GLN A 65 6.749 -1.741 0.082 1.00 0.00 C ATOM 1107 C GLN A 65 7.294 -0.531 -0.655 1.00 0.00 C ATOM 1108 O GLN A 65 6.802 -0.179 -1.737 1.00 0.00 O ATOM 1109 CB GLN A 65 7.446 -3.030 -0.418 1.00 0.00 C ATOM 1110 CG GLN A 65 7.358 -3.263 -1.930 1.00 0.00 C ATOM 1111 CD GLN A 65 8.139 -4.482 -2.412 1.00 0.00 C ATOM 1112 OE1 GLN A 65 7.769 -5.115 -3.407 1.00 0.00 O ATOM 1113 NE2 GLN A 65 9.220 -4.811 -1.744 1.00 0.00 N ATOM 0 H GLN A 65 5.048 -2.010 -1.076 1.00 0.00 H new ATOM 0 HA GLN A 65 6.951 -1.681 1.151 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.497 -2.993 -0.131 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.006 -3.886 0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.311 -3.380 -2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.729 -2.378 -2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.499 -4.269 -0.927 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.781 -5.609 -2.042 1.00 0.00 H new ATOM 1122 N VAL A 66 8.232 0.136 -0.081 1.00 0.00 N ATOM 1123 CA VAL A 66 8.825 1.259 -0.747 1.00 0.00 C ATOM 1124 C VAL A 66 10.106 0.815 -1.391 1.00 0.00 C ATOM 1125 O VAL A 66 11.067 0.453 -0.707 1.00 0.00 O ATOM 1126 CB VAL A 66 9.080 2.464 0.206 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.777 3.610 -0.531 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.769 2.953 0.785 1.00 0.00 C ATOM 0 H VAL A 66 8.609 -0.069 0.844 1.00 0.00 H new ATOM 0 HA VAL A 66 8.122 1.614 -1.501 1.00 0.00 H new ATOM 0 HB VAL A 66 9.731 2.126 1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.943 4.438 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.735 3.264 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.150 3.946 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.957 3.796 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.110 3.269 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.296 2.147 1.345 1.00 0.00 H new ATOM 1138 N ILE A 67 10.120 0.804 -2.691 1.00 0.00 N ATOM 1139 CA ILE A 67 11.279 0.399 -3.401 1.00 0.00 C ATOM 1140 C ILE A 67 12.116 1.633 -3.669 1.00 0.00 C ATOM 1141 O ILE A 67 11.866 2.376 -4.627 1.00 0.00 O ATOM 1142 CB ILE A 67 10.937 -0.298 -4.743 1.00 0.00 C ATOM 1143 CG1 ILE A 67 9.879 -1.400 -4.531 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.207 -0.898 -5.338 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.441 -2.099 -5.808 1.00 0.00 C ATOM 0 H ILE A 67 9.331 1.075 -3.278 1.00 0.00 H new ATOM 0 HA ILE A 67 11.821 -0.328 -2.796 1.00 0.00 H new ATOM 0 HB ILE A 67 10.525 0.441 -5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.279 -2.144 -3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.004 -0.960 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 67 11.970 -1.389 -6.282 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.936 -0.107 -5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.624 -1.628 -4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.696 -2.859 -5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.009 -1.369 -6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.303 -2.571 -6.279 1.00 0.00 H new ATOM 1157 N ASP A 68 13.082 1.864 -2.804 1.00 0.00 N ATOM 1158 CA ASP A 68 13.980 3.021 -2.889 1.00 0.00 C ATOM 1159 C ASP A 68 14.835 2.952 -4.150 1.00 0.00 C ATOM 1160 O ASP A 68 15.163 3.966 -4.757 1.00 0.00 O ATOM 1161 CB ASP A 68 14.849 3.092 -1.618 1.00 0.00 C ATOM 1162 CG ASP A 68 15.953 4.134 -1.668 1.00 0.00 C ATOM 1163 OD1 ASP A 68 15.667 5.336 -1.668 1.00 0.00 O ATOM 1164 OD2 ASP A 68 17.146 3.750 -1.663 1.00 0.00 O ATOM 0 H ASP A 68 13.276 1.254 -2.010 1.00 0.00 H new ATOM 0 HA ASP A 68 13.387 3.933 -2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.205 3.304 -0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.297 2.114 -1.444 1.00 0.00 H new ATOM 1169 N GLU A 69 15.119 1.734 -4.568 1.00 0.00 N ATOM 1170 CA GLU A 69 15.915 1.451 -5.764 1.00 0.00 C ATOM 1171 C GLU A 69 15.255 2.020 -7.021 1.00 0.00 C ATOM 1172 O GLU A 69 15.921 2.552 -7.900 1.00 0.00 O ATOM 1173 CB GLU A 69 16.014 -0.046 -5.954 1.00 0.00 C ATOM 1174 CG GLU A 69 16.592 -0.800 -4.790 1.00 0.00 C ATOM 1175 CD GLU A 69 16.483 -2.273 -5.006 1.00 0.00 C ATOM 1176 OE1 GLU A 69 17.329 -2.848 -5.716 1.00 0.00 O ATOM 1177 OE2 GLU A 69 15.525 -2.881 -4.499 1.00 0.00 O ATOM 0 H GLU A 69 14.802 0.894 -4.084 1.00 0.00 H new ATOM 0 HA GLU A 69 16.894 1.908 -5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.018 -0.437 -6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 69 16.624 -0.245 -6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.638 -0.524 -4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.069 -0.522 -3.875 1.00 0.00 H new ATOM 1184 N LYS A 70 13.948 1.903 -7.086 1.00 0.00 N ATOM 1185 CA LYS A 70 13.199 2.284 -8.271 1.00 0.00 C ATOM 1186 C LYS A 70 12.416 3.569 -8.038 1.00 0.00 C ATOM 1187 O LYS A 70 11.789 4.095 -8.955 1.00 0.00 O ATOM 1188 CB LYS A 70 12.252 1.143 -8.649 1.00 0.00 C ATOM 1189 CG LYS A 70 12.954 -0.169 -8.949 1.00 0.00 C ATOM 1190 CD LYS A 70 11.968 -1.310 -9.123 1.00 0.00 C ATOM 1191 CE LYS A 70 12.696 -2.630 -9.311 1.00 0.00 C ATOM 1192 NZ LYS A 70 11.771 -3.777 -9.345 1.00 0.00 N ATOM 0 H LYS A 70 13.373 1.543 -6.325 1.00 0.00 H new ATOM 0 HA LYS A 70 13.897 2.469 -9.087 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.545 0.987 -7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.672 1.441 -9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.551 -0.063 -9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.644 -0.405 -8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.317 -1.370 -8.251 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.329 -1.116 -9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.267 -2.599 -10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.412 -2.767 -8.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.312 -4.656 -9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.244 -3.824 -8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.104 -3.662 -10.134 1.00 0.00 H new ATOM 1206 N VAL A 71 12.459 4.060 -6.792 1.00 0.00 N ATOM 1207 CA VAL A 71 11.752 5.279 -6.366 1.00 0.00 C ATOM 1208 C VAL A 71 10.218 5.091 -6.572 1.00 0.00 C ATOM 1209 O VAL A 71 9.476 5.994 -6.972 1.00 0.00 O ATOM 1210 CB VAL A 71 12.314 6.557 -7.110 1.00 0.00 C ATOM 1211 CG1 VAL A 71 11.711 7.854 -6.573 1.00 0.00 C ATOM 1212 CG2 VAL A 71 13.831 6.614 -6.981 1.00 0.00 C ATOM 0 H VAL A 71 12.991 3.618 -6.042 1.00 0.00 H new ATOM 0 HA VAL A 71 11.929 5.447 -5.304 1.00 0.00 H new ATOM 0 HB VAL A 71 12.030 6.466 -8.158 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.129 8.702 -7.116 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.629 7.835 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.944 7.952 -5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.207 7.498 -7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.105 6.665 -5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.268 5.720 -7.427 1.00 0.00 H new ATOM 1222 N VAL A 72 9.748 3.918 -6.232 1.00 0.00 N ATOM 1223 CA VAL A 72 8.357 3.600 -6.401 1.00 0.00 C ATOM 1224 C VAL A 72 7.822 2.890 -5.165 1.00 0.00 C ATOM 1225 O VAL A 72 8.508 2.073 -4.545 1.00 0.00 O ATOM 1226 CB VAL A 72 8.098 2.743 -7.701 1.00 0.00 C ATOM 1227 CG1 VAL A 72 8.800 1.403 -7.641 1.00 0.00 C ATOM 1228 CG2 VAL A 72 6.609 2.547 -7.965 1.00 0.00 C ATOM 0 H VAL A 72 10.312 3.166 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 72 7.818 4.539 -6.527 1.00 0.00 H new ATOM 0 HB VAL A 72 8.518 3.310 -8.532 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.596 0.844 -8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.874 1.559 -7.543 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.436 0.839 -6.782 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.475 1.952 -8.868 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.154 2.030 -7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.132 3.518 -8.096 1.00 0.00 H new ATOM 1238 N VAL A 73 6.651 3.254 -4.793 1.00 0.00 N ATOM 1239 CA VAL A 73 5.939 2.661 -3.722 1.00 0.00 C ATOM 1240 C VAL A 73 5.047 1.588 -4.334 1.00 0.00 C ATOM 1241 O VAL A 73 4.160 1.890 -5.141 1.00 0.00 O ATOM 1242 CB VAL A 73 5.090 3.729 -2.996 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.298 3.124 -1.874 1.00 0.00 C ATOM 1244 CG2 VAL A 73 5.974 4.853 -2.472 1.00 0.00 C ATOM 0 H VAL A 73 6.138 4.009 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 73 6.615 2.227 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 73 4.389 4.144 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.711 3.900 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.629 2.360 -2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.977 2.671 -1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.357 5.594 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.703 4.446 -1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.496 5.324 -3.305 1.00 0.00 H new ATOM 1254 N PHE A 74 5.306 0.366 -3.992 1.00 0.00 N ATOM 1255 CA PHE A 74 4.640 -0.757 -4.590 1.00 0.00 C ATOM 1256 C PHE A 74 3.652 -1.367 -3.606 1.00 0.00 C ATOM 1257 O PHE A 74 4.049 -1.945 -2.588 1.00 0.00 O ATOM 1258 CB PHE A 74 5.706 -1.777 -5.014 1.00 0.00 C ATOM 1259 CG PHE A 74 5.204 -2.996 -5.731 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.987 -2.967 -7.096 1.00 0.00 C ATOM 1261 CD2 PHE A 74 4.985 -4.179 -5.046 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.559 -4.094 -7.763 1.00 0.00 C ATOM 1263 CE2 PHE A 74 4.553 -5.305 -5.704 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.343 -5.265 -7.066 1.00 0.00 C ATOM 0 H PHE A 74 5.993 0.112 -3.282 1.00 0.00 H new ATOM 0 HA PHE A 74 4.073 -0.442 -5.466 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.427 -1.273 -5.658 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.245 -2.100 -4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.155 -2.052 -7.645 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.156 -4.217 -3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.393 -4.061 -8.830 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.378 -6.219 -5.156 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.009 -6.150 -7.587 1.00 0.00 H new ATOM 1274 N VAL A 75 2.381 -1.208 -3.894 1.00 0.00 N ATOM 1275 CA VAL A 75 1.326 -1.749 -3.061 1.00 0.00 C ATOM 1276 C VAL A 75 1.256 -3.257 -3.234 1.00 0.00 C ATOM 1277 O VAL A 75 1.102 -3.750 -4.347 1.00 0.00 O ATOM 1278 CB VAL A 75 -0.048 -1.108 -3.396 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.153 -1.655 -2.498 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.031 0.411 -3.296 1.00 0.00 C ATOM 0 H VAL A 75 2.046 -0.700 -4.713 1.00 0.00 H new ATOM 0 HA VAL A 75 1.559 -1.512 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.299 -1.374 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.101 -1.185 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.233 -2.733 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.916 -1.438 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.941 0.842 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.315 0.695 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.775 0.784 -4.000 1.00 0.00 H new ATOM 1290 N ILE A 76 1.379 -3.973 -2.138 1.00 0.00 N ATOM 1291 CA ILE A 76 1.378 -5.422 -2.163 1.00 0.00 C ATOM 1292 C ILE A 76 -0.050 -5.937 -2.013 1.00 0.00 C ATOM 1293 O ILE A 76 -0.471 -6.877 -2.689 1.00 0.00 O ATOM 1294 CB ILE A 76 2.232 -5.997 -0.994 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.666 -5.439 -1.040 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.252 -7.527 -1.041 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.528 -5.861 0.139 1.00 0.00 C ATOM 0 H ILE A 76 1.482 -3.570 -1.207 1.00 0.00 H new ATOM 0 HA ILE A 76 1.803 -5.744 -3.114 1.00 0.00 H new ATOM 0 HB ILE A 76 1.773 -5.687 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.144 -5.767 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.621 -4.350 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.854 -7.909 -0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.234 -7.907 -0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.682 -7.856 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.523 -5.429 0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.074 -5.509 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.605 -6.948 0.163 1.00 0.00 H new ATOM 1309 N SER A 77 -0.793 -5.323 -1.121 1.00 0.00 N ATOM 1310 CA SER A 77 -2.148 -5.732 -0.839 1.00 0.00 C ATOM 1311 C SER A 77 -2.952 -4.565 -0.292 1.00 0.00 C ATOM 1312 O SER A 77 -2.397 -3.659 0.351 1.00 0.00 O ATOM 1313 CB SER A 77 -2.155 -6.909 0.157 1.00 0.00 C ATOM 1314 OG SER A 77 -1.526 -8.060 -0.404 1.00 0.00 O ATOM 0 H SER A 77 -0.474 -4.526 -0.571 1.00 0.00 H new ATOM 0 HA SER A 77 -2.612 -6.062 -1.768 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.639 -6.618 1.072 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.182 -7.150 0.433 1.00 0.00 H new ATOM 0 HG SER A 77 -1.254 -8.667 0.315 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.236 -4.578 -0.560 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.140 -3.552 -0.112 1.00 0.00 C ATOM 1322 C VAL A 78 -6.489 -4.200 0.210 1.00 0.00 C ATOM 1323 O VAL A 78 -6.955 -5.072 -0.530 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.291 -2.415 -1.185 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.804 -2.942 -2.522 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -6.169 -1.285 -0.679 1.00 0.00 C ATOM 0 H VAL A 78 -4.686 -5.314 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.740 -3.080 0.786 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.290 -2.018 -1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.891 -2.117 -3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.107 -3.683 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.782 -3.403 -2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.251 -0.516 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.161 -1.672 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.726 -0.854 0.219 1.00 0.00 H new ATOM 1336 N GLY A 79 -7.064 -3.851 1.323 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.329 -4.421 1.699 1.00 0.00 C ATOM 1338 C GLY A 79 -8.465 -4.503 3.187 1.00 0.00 C ATOM 1339 O GLY A 79 -7.935 -3.663 3.902 1.00 0.00 O ATOM 0 H GLY A 79 -6.681 -3.177 1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.139 -3.817 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.425 -5.417 1.267 1.00 0.00 H new ATOM 1343 N LYS A 80 -9.154 -5.491 3.666 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.311 -5.654 5.084 1.00 0.00 C ATOM 1345 C LYS A 80 -8.236 -6.578 5.631 1.00 0.00 C ATOM 1346 O LYS A 80 -7.835 -7.539 4.978 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.721 -6.146 5.444 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.823 -5.179 5.008 1.00 0.00 C ATOM 1349 CD LYS A 80 -13.207 -5.581 5.518 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.684 -6.916 4.961 1.00 0.00 C ATOM 1351 NZ LYS A 80 -15.045 -7.253 5.443 1.00 0.00 N ATOM 0 H LYS A 80 -9.619 -6.200 3.098 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.190 -4.678 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.891 -7.116 4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.783 -6.296 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.585 -4.179 5.370 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.844 -5.128 3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.185 -5.635 6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.925 -4.805 5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.682 -6.878 3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.988 -7.703 5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.338 -8.168 5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.041 -7.313 6.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.713 -6.515 5.142 1.00 0.00 H new ATOM 1365 N ALA A 81 -7.747 -6.255 6.792 1.00 0.00 N ATOM 1366 CA ALA A 81 -6.720 -7.011 7.441 1.00 0.00 C ATOM 1367 C ALA A 81 -7.098 -7.141 8.882 1.00 0.00 C ATOM 1368 O ALA A 81 -7.208 -6.133 9.587 1.00 0.00 O ATOM 1369 CB ALA A 81 -5.391 -6.289 7.321 1.00 0.00 C ATOM 0 H ALA A 81 -8.058 -5.442 7.324 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.619 -7.993 6.980 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.615 -6.871 7.818 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.136 -6.168 6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.466 -5.308 7.791 1.00 0.00 H new ATOM 1375 N GLU A 82 -7.321 -8.333 9.326 1.00 0.00 N ATOM 1376 CA GLU A 82 -7.753 -8.527 10.673 1.00 0.00 C ATOM 1377 C GLU A 82 -6.573 -8.965 11.523 1.00 0.00 C ATOM 1378 O GLU A 82 -6.328 -8.425 12.607 1.00 0.00 O ATOM 1379 CB GLU A 82 -8.889 -9.550 10.723 1.00 0.00 C ATOM 1380 CG GLU A 82 -9.590 -9.639 12.067 1.00 0.00 C ATOM 1381 CD GLU A 82 -10.250 -8.336 12.461 1.00 0.00 C ATOM 1382 OE1 GLU A 82 -9.595 -7.490 13.097 1.00 0.00 O ATOM 1383 OE2 GLU A 82 -11.446 -8.133 12.146 1.00 0.00 O ATOM 0 H GLU A 82 -7.212 -9.187 8.779 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.138 -7.589 11.074 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.624 -9.297 9.959 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.490 -10.532 10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.342 -10.427 12.030 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.868 -9.923 12.832 1.00 0.00 H new ATOM 1390 N ALA A 83 -5.810 -9.898 11.020 1.00 0.00 N ATOM 1391 CA ALA A 83 -4.680 -10.394 11.756 1.00 0.00 C ATOM 1392 C ALA A 83 -3.456 -10.583 10.883 1.00 0.00 C ATOM 1393 O ALA A 83 -2.401 -10.028 11.178 1.00 0.00 O ATOM 1394 CB ALA A 83 -5.023 -11.678 12.483 1.00 0.00 C ATOM 0 H ALA A 83 -5.950 -10.329 10.106 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.431 -9.632 12.495 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.149 -12.030 13.031 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.840 -11.494 13.181 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.327 -12.435 11.760 1.00 0.00 H new ATOM 1400 N SER A 84 -3.574 -11.330 9.809 1.00 0.00 N ATOM 1401 CA SER A 84 -2.393 -11.632 9.024 1.00 0.00 C ATOM 1402 C SER A 84 -2.672 -11.718 7.529 1.00 0.00 C ATOM 1403 O SER A 84 -1.775 -12.048 6.756 1.00 0.00 O ATOM 1404 CB SER A 84 -1.807 -12.945 9.522 1.00 0.00 C ATOM 1405 OG SER A 84 -2.793 -13.978 9.489 1.00 0.00 O ATOM 0 H SER A 84 -4.446 -11.731 9.464 1.00 0.00 H new ATOM 0 HA SER A 84 -1.687 -10.812 9.154 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.955 -13.228 8.903 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.435 -12.821 10.539 1.00 0.00 H new ATOM 0 HG SER A 84 -2.400 -14.816 9.811 1.00 0.00 H new ATOM 1411 N GLU A 85 -3.867 -11.329 7.125 1.00 0.00 N ATOM 1412 CA GLU A 85 -4.357 -11.502 5.751 1.00 0.00 C ATOM 1413 C GLU A 85 -3.440 -10.844 4.732 1.00 0.00 C ATOM 1414 O GLU A 85 -3.032 -11.457 3.767 1.00 0.00 O ATOM 1415 CB GLU A 85 -5.773 -10.907 5.617 1.00 0.00 C ATOM 1416 CG GLU A 85 -6.891 -11.629 6.386 1.00 0.00 C ATOM 1417 CD GLU A 85 -6.643 -11.741 7.868 1.00 0.00 C ATOM 1418 OE1 GLU A 85 -6.201 -10.744 8.494 1.00 0.00 O ATOM 1419 OE2 GLU A 85 -6.807 -12.836 8.423 1.00 0.00 O ATOM 0 H GLU A 85 -4.541 -10.877 7.743 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.378 -12.573 5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.742 -9.870 5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.039 -10.892 4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.830 -11.099 6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.015 -12.630 5.972 1.00 0.00 H new ATOM 1426 N VAL A 86 -3.087 -9.615 4.981 1.00 0.00 N ATOM 1427 CA VAL A 86 -2.232 -8.885 4.066 1.00 0.00 C ATOM 1428 C VAL A 86 -0.761 -8.984 4.490 1.00 0.00 C ATOM 1429 O VAL A 86 0.126 -8.517 3.795 1.00 0.00 O ATOM 1430 CB VAL A 86 -2.655 -7.395 3.969 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -4.085 -7.268 3.452 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -2.514 -6.703 5.315 1.00 0.00 C ATOM 0 H VAL A 86 -3.374 -9.091 5.808 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.344 -9.341 3.082 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.989 -6.904 3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.358 -6.214 3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.155 -7.717 2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.765 -7.781 4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.816 -5.660 5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.149 -7.200 6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.475 -6.752 5.642 1.00 0.00 H new ATOM 1442 N TYR A 87 -0.521 -9.628 5.613 1.00 0.00 N ATOM 1443 CA TYR A 87 0.818 -9.692 6.184 1.00 0.00 C ATOM 1444 C TYR A 87 1.570 -10.913 5.695 1.00 0.00 C ATOM 1445 O TYR A 87 2.759 -10.827 5.377 1.00 0.00 O ATOM 1446 CB TYR A 87 0.772 -9.666 7.713 1.00 0.00 C ATOM 1447 CG TYR A 87 0.174 -8.399 8.297 1.00 0.00 C ATOM 1448 CD1 TYR A 87 -1.195 -8.278 8.512 1.00 0.00 C ATOM 1449 CD2 TYR A 87 0.981 -7.326 8.636 1.00 0.00 C ATOM 1450 CE1 TYR A 87 -1.736 -7.127 9.045 1.00 0.00 C ATOM 1451 CE2 TYR A 87 0.447 -6.172 9.172 1.00 0.00 C ATOM 1452 CZ TYR A 87 -0.909 -6.077 9.373 1.00 0.00 C ATOM 1453 OH TYR A 87 -1.444 -4.922 9.906 1.00 0.00 O ATOM 0 H TYR A 87 -1.234 -10.117 6.153 1.00 0.00 H new ATOM 0 HA TYR A 87 1.356 -8.807 5.846 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.194 -10.522 8.062 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.785 -9.787 8.098 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.846 -9.101 8.257 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.047 -7.394 8.478 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.801 -7.050 9.204 1.00 0.00 H new ATOM 0 HE2 TYR A 87 1.093 -5.346 9.433 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.725 -4.280 10.082 1.00 0.00 H new ATOM 1463 N SER A 88 0.877 -12.045 5.606 1.00 0.00 N ATOM 1464 CA SER A 88 1.485 -13.272 5.128 1.00 0.00 C ATOM 1465 C SER A 88 1.925 -13.098 3.697 1.00 0.00 C ATOM 1466 O SER A 88 3.037 -13.461 3.316 1.00 0.00 O ATOM 1467 CB SER A 88 0.486 -14.422 5.238 1.00 0.00 C ATOM 1468 OG SER A 88 -0.773 -14.073 4.660 1.00 0.00 O ATOM 0 H SER A 88 -0.107 -12.133 5.860 1.00 0.00 H new ATOM 0 HA SER A 88 2.357 -13.505 5.739 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.886 -15.304 4.737 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.347 -14.686 6.286 1.00 0.00 H new ATOM 0 HG SER A 88 -0.810 -14.397 3.736 1.00 0.00 H new ATOM 1474 N GLU A 89 1.066 -12.460 2.938 1.00 0.00 N ATOM 1475 CA GLU A 89 1.282 -12.225 1.541 1.00 0.00 C ATOM 1476 C GLU A 89 2.473 -11.301 1.356 1.00 0.00 C ATOM 1477 O GLU A 89 3.246 -11.449 0.423 1.00 0.00 O ATOM 1478 CB GLU A 89 0.033 -11.595 0.927 1.00 0.00 C ATOM 1479 CG GLU A 89 -1.275 -12.305 1.288 1.00 0.00 C ATOM 1480 CD GLU A 89 -1.248 -13.795 1.033 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -1.563 -14.232 -0.098 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -0.898 -14.561 1.960 1.00 0.00 O ATOM 0 H GLU A 89 0.183 -12.085 3.286 1.00 0.00 H new ATOM 0 HA GLU A 89 1.486 -13.172 1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.031 -10.556 1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.141 -11.587 -0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.495 -12.129 2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.089 -11.862 0.714 1.00 0.00 H new ATOM 1489 N ALA A 90 2.629 -10.382 2.289 1.00 0.00 N ATOM 1490 CA ALA A 90 3.691 -9.412 2.246 1.00 0.00 C ATOM 1491 C ALA A 90 5.034 -10.041 2.608 1.00 0.00 C ATOM 1492 O ALA A 90 6.020 -9.811 1.932 1.00 0.00 O ATOM 1493 CB ALA A 90 3.375 -8.234 3.154 1.00 0.00 C ATOM 0 H ALA A 90 2.016 -10.292 3.100 1.00 0.00 H new ATOM 0 HA ALA A 90 3.769 -9.043 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.189 -7.511 3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.450 -7.760 2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.259 -8.586 4.179 1.00 0.00 H new ATOM 1499 N VAL A 91 5.068 -10.855 3.652 1.00 0.00 N ATOM 1500 CA VAL A 91 6.328 -11.472 4.073 1.00 0.00 C ATOM 1501 C VAL A 91 6.791 -12.527 3.047 1.00 0.00 C ATOM 1502 O VAL A 91 7.985 -12.698 2.803 1.00 0.00 O ATOM 1503 CB VAL A 91 6.255 -12.058 5.525 1.00 0.00 C ATOM 1504 CG1 VAL A 91 5.277 -13.213 5.637 1.00 0.00 C ATOM 1505 CG2 VAL A 91 7.635 -12.444 6.046 1.00 0.00 C ATOM 0 H VAL A 91 4.257 -11.104 4.218 1.00 0.00 H new ATOM 0 HA VAL A 91 7.080 -10.683 4.105 1.00 0.00 H new ATOM 0 HB VAL A 91 5.872 -11.260 6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.265 -13.582 6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.279 -12.872 5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.584 -14.016 4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.544 -12.846 7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.072 -13.199 5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.277 -11.563 6.063 1.00 0.00 H new ATOM 1515 N LYS A 92 5.830 -13.159 2.390 1.00 0.00 N ATOM 1516 CA LYS A 92 6.107 -14.165 1.370 1.00 0.00 C ATOM 1517 C LYS A 92 6.645 -13.561 0.086 1.00 0.00 C ATOM 1518 O LYS A 92 7.072 -14.282 -0.823 1.00 0.00 O ATOM 1519 CB LYS A 92 4.910 -15.085 1.131 1.00 0.00 C ATOM 1520 CG LYS A 92 4.611 -15.996 2.316 1.00 0.00 C ATOM 1521 CD LYS A 92 5.745 -16.987 2.551 1.00 0.00 C ATOM 1522 CE LYS A 92 5.533 -17.817 3.806 1.00 0.00 C ATOM 1523 NZ LYS A 92 5.544 -16.991 5.034 1.00 0.00 N ATOM 0 H LYS A 92 4.836 -12.991 2.547 1.00 0.00 H new ATOM 0 HA LYS A 92 6.907 -14.793 1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 92 4.030 -14.478 0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 92 5.100 -15.696 0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 92 4.460 -15.394 3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.683 -16.538 2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.830 -17.650 1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.688 -16.445 2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.582 -18.344 3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.313 -18.575 3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.635 -17.608 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.348 -16.332 5.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.657 -16.452 5.098 1.00 0.00 H new ATOM 1537 N ARG A 93 6.598 -12.235 -0.015 1.00 0.00 N ATOM 1538 CA ARG A 93 7.188 -11.540 -1.153 1.00 0.00 C ATOM 1539 C ARG A 93 8.710 -11.650 -1.061 1.00 0.00 C ATOM 1540 O ARG A 93 9.418 -11.540 -2.056 1.00 0.00 O ATOM 1541 CB ARG A 93 6.772 -10.067 -1.186 1.00 0.00 C ATOM 1542 CG ARG A 93 5.269 -9.843 -1.178 1.00 0.00 C ATOM 1543 CD ARG A 93 4.570 -10.426 -2.400 1.00 0.00 C ATOM 1544 NE ARG A 93 4.918 -9.698 -3.609 1.00 0.00 N ATOM 1545 CZ ARG A 93 4.105 -9.488 -4.639 1.00 0.00 C ATOM 1546 NH1 ARG A 93 2.921 -10.085 -4.706 1.00 0.00 N ATOM 1547 NH2 ARG A 93 4.491 -8.716 -5.624 1.00 0.00 N ATOM 0 H ARG A 93 6.160 -11.624 0.674 1.00 0.00 H new ATOM 0 HA ARG A 93 6.830 -12.004 -2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.208 -9.559 -0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.192 -9.602 -2.078 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.846 -10.289 -0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.068 -8.773 -1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.846 -11.474 -2.513 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.490 -10.395 -2.253 1.00 0.00 H new ATOM 0 HE ARG A 93 5.862 -9.318 -3.672 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.624 -10.715 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.308 -9.914 -5.503 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.412 -8.279 -5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.870 -8.552 -6.417 1.00 0.00 H new ATOM 1561 N ILE A 94 9.197 -11.883 0.149 1.00 0.00 N ATOM 1562 CA ILE A 94 10.602 -12.090 0.381 1.00 0.00 C ATOM 1563 C ILE A 94 10.849 -13.600 0.346 1.00 0.00 C ATOM 1564 O ILE A 94 10.933 -14.268 1.383 1.00 0.00 O ATOM 1565 CB ILE A 94 11.129 -11.469 1.744 1.00 0.00 C ATOM 1566 CG1 ILE A 94 10.888 -9.939 1.835 1.00 0.00 C ATOM 1567 CG2 ILE A 94 12.619 -11.750 1.943 1.00 0.00 C ATOM 1568 CD1 ILE A 94 9.447 -9.507 2.058 1.00 0.00 C ATOM 0 H ILE A 94 8.623 -11.932 0.991 1.00 0.00 H new ATOM 0 HA ILE A 94 11.160 -11.569 -0.397 1.00 0.00 H new ATOM 0 HB ILE A 94 10.555 -11.954 2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.496 -9.542 2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.247 -9.479 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 94 12.949 -11.312 2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 94 12.786 -12.827 1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.185 -11.312 1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.396 -8.419 2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 94 8.829 -9.863 1.234 1.00 0.00 H new ATOM 0 HD13 ILE A 94 9.082 -9.928 2.995 1.00 0.00 H new ATOM 1580 N LEU A 95 10.833 -14.122 -0.855 1.00 0.00 N ATOM 1581 CA LEU A 95 11.004 -15.525 -1.139 1.00 0.00 C ATOM 1582 C LEU A 95 11.067 -15.663 -2.639 1.00 0.00 C ATOM 1583 O LEU A 95 12.138 -15.958 -3.174 1.00 0.00 O ATOM 1584 CB LEU A 95 9.835 -16.365 -0.574 1.00 0.00 C ATOM 1585 CG LEU A 95 9.942 -17.890 -0.742 1.00 0.00 C ATOM 1586 CD1 LEU A 95 11.177 -18.434 -0.033 1.00 0.00 C ATOM 1587 CD2 LEU A 95 8.687 -18.571 -0.216 1.00 0.00 C ATOM 1588 OXT LEU A 95 10.059 -15.340 -3.308 1.00 0.00 O ATOM 0 H LEU A 95 10.695 -13.559 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 95 11.914 -15.895 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.739 -16.145 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.914 -16.033 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 95 10.039 -18.106 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 95 11.228 -19.514 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 95 12.071 -17.973 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 95 11.117 -18.204 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.778 -19.650 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.563 -18.339 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.819 -18.213 -0.770 1.00 0.00 H new TER 1600 LEU A 95