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 42 ASN : amide:sc= -0.224 K(o=-0.38,f=-6.8!) USER MOD Set 1.2: A 54 LYS NZ :NH3+ 139:sc= -0.158 (180deg=0) USER MOD Set 2.1: A 47 MET CE :methyl -134:sc= -0.347 (180deg=-0.754) USER MOD Set 2.2: A 50 CYS SG : rot 19:sc= -0.6! USER MOD Single : A 1 MET CE :methyl -154:sc= -0.151 (180deg=-1.28) USER MOD Single : A 1 MET N :NH3+ -99:sc= 0.168 (180deg=0) USER MOD Single : A 3 TYR OH : rot -173:sc= 1.24 USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= 1.24 (180deg=1.18) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0953 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0.349 X(o=0.35,f=-0.077) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0201 (180deg=-0.252) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 100:sc= 0.851 USER MOD Single : A 43 LYS NZ :NH3+ -144:sc= 1.3 (180deg=0.891) USER MOD Single : A 51 TYR OH : rot 30:sc= -1.06 USER MOD Single : A 52 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 -121:sc= 0.705 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 30:sc= -0.85 USER MOD Single : A 65 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.27) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0882 USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= 0.639 (180deg=0.358) USER MOD Single : A 84 SER OG : rot 180:sc= -0.121 USER MOD Single : A 87 TYR OH : rot 69:sc= 0.376 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0427) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.821 15.819 -3.054 1.00 0.00 N ATOM 2 CA MET A 1 10.138 14.729 -3.951 1.00 0.00 C ATOM 3 C MET A 1 8.990 13.769 -3.945 1.00 0.00 C ATOM 4 O MET A 1 8.218 13.746 -2.996 1.00 0.00 O ATOM 5 CB MET A 1 11.450 14.011 -3.545 1.00 0.00 C ATOM 6 CG MET A 1 11.418 13.291 -2.197 1.00 0.00 C ATOM 7 SD MET A 1 12.977 12.452 -1.813 1.00 0.00 S ATOM 8 CE MET A 1 13.082 11.257 -3.155 1.00 0.00 C ATOM 0 H1 MET A 1 9.471 16.630 -3.603 1.00 0.00 H new ATOM 0 H2 MET A 1 9.088 15.514 -2.382 1.00 0.00 H new ATOM 0 H3 MET A 1 10.676 16.098 -2.531 1.00 0.00 H new ATOM 0 HA MET A 1 10.296 15.127 -4.954 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.700 13.285 -4.319 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.254 14.746 -3.525 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.195 14.012 -1.410 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.609 12.561 -2.199 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.680 10.403 -2.836 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.080 10.920 -3.421 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.550 11.724 -4.022 1.00 0.00 H new ATOM 18 N ALA A 2 8.875 12.994 -4.980 1.00 0.00 N ATOM 19 CA ALA A 2 7.812 12.046 -5.100 1.00 0.00 C ATOM 20 C ALA A 2 8.374 10.750 -5.610 1.00 0.00 C ATOM 21 O ALA A 2 9.410 10.733 -6.286 1.00 0.00 O ATOM 22 CB ALA A 2 6.731 12.568 -6.039 1.00 0.00 C ATOM 0 H ALA A 2 9.521 13.002 -5.770 1.00 0.00 H new ATOM 0 HA ALA A 2 7.354 11.886 -4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.931 11.832 -6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.328 13.502 -5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.160 12.744 -7.026 1.00 0.00 H new ATOM 28 N TYR A 3 7.728 9.686 -5.271 1.00 0.00 N ATOM 29 CA TYR A 3 8.128 8.364 -5.685 1.00 0.00 C ATOM 30 C TYR A 3 7.135 7.858 -6.700 1.00 0.00 C ATOM 31 O TYR A 3 6.063 8.458 -6.883 1.00 0.00 O ATOM 32 CB TYR A 3 8.137 7.397 -4.485 1.00 0.00 C ATOM 33 CG TYR A 3 9.214 7.623 -3.436 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.440 8.873 -2.876 1.00 0.00 C ATOM 35 CD2 TYR A 3 9.998 6.565 -3.000 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.407 9.062 -1.921 1.00 0.00 C ATOM 37 CE2 TYR A 3 10.962 6.744 -2.035 1.00 0.00 C ATOM 38 CZ TYR A 3 11.162 7.994 -1.500 1.00 0.00 C ATOM 39 OH TYR A 3 12.103 8.175 -0.523 1.00 0.00 O ATOM 0 H TYR A 3 6.891 9.700 -4.688 1.00 0.00 H new ATOM 0 HA TYR A 3 9.131 8.414 -6.108 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.166 7.455 -3.994 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.241 6.381 -4.867 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.843 9.713 -3.198 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.849 5.584 -3.426 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.574 10.044 -1.503 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.558 5.908 -1.700 1.00 0.00 H new ATOM 0 HH TYR A 3 12.627 7.354 -0.418 1.00 0.00 H new ATOM 49 N PHE A 4 7.474 6.790 -7.362 1.00 0.00 N ATOM 50 CA PHE A 4 6.554 6.142 -8.264 1.00 0.00 C ATOM 51 C PHE A 4 5.555 5.356 -7.434 1.00 0.00 C ATOM 52 O PHE A 4 5.873 4.938 -6.337 1.00 0.00 O ATOM 53 CB PHE A 4 7.286 5.193 -9.224 1.00 0.00 C ATOM 54 CG PHE A 4 8.227 5.846 -10.195 1.00 0.00 C ATOM 55 CD1 PHE A 4 9.554 6.055 -9.872 1.00 0.00 C ATOM 56 CD2 PHE A 4 7.786 6.225 -11.446 1.00 0.00 C ATOM 57 CE1 PHE A 4 10.418 6.632 -10.776 1.00 0.00 C ATOM 58 CE2 PHE A 4 8.643 6.804 -12.349 1.00 0.00 C ATOM 59 CZ PHE A 4 9.961 7.008 -12.016 1.00 0.00 C ATOM 0 H PHE A 4 8.388 6.343 -7.296 1.00 0.00 H new ATOM 0 HA PHE A 4 6.051 6.898 -8.867 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.848 4.470 -8.633 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.541 4.633 -9.789 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.918 5.762 -8.898 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.753 6.064 -11.719 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.453 6.789 -10.511 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.281 7.100 -13.323 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.635 7.462 -12.727 1.00 0.00 H new ATOM 69 N LEU A 5 4.370 5.174 -7.929 1.00 0.00 N ATOM 70 CA LEU A 5 3.370 4.410 -7.207 1.00 0.00 C ATOM 71 C LEU A 5 2.885 3.321 -8.152 1.00 0.00 C ATOM 72 O LEU A 5 2.444 3.616 -9.275 1.00 0.00 O ATOM 73 CB LEU A 5 2.198 5.342 -6.750 1.00 0.00 C ATOM 74 CG LEU A 5 1.236 4.851 -5.606 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.495 3.578 -5.949 1.00 0.00 C ATOM 76 CD2 LEU A 5 1.976 4.680 -4.297 1.00 0.00 C ATOM 0 H LEU A 5 4.060 5.539 -8.830 1.00 0.00 H new ATOM 0 HA LEU A 5 3.784 3.966 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.635 6.288 -6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.586 5.555 -7.626 1.00 0.00 H new ATOM 0 HG LEU A 5 0.489 5.637 -5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.150 3.297 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.112 3.739 -6.840 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.212 2.779 -6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.282 4.340 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.769 3.943 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.410 5.634 -3.997 1.00 0.00 H new ATOM 88 N ASP A 6 3.012 2.089 -7.749 1.00 0.00 N ATOM 89 CA ASP A 6 2.578 0.976 -8.572 1.00 0.00 C ATOM 90 C ASP A 6 1.769 0.016 -7.738 1.00 0.00 C ATOM 91 O ASP A 6 1.899 -0.010 -6.514 1.00 0.00 O ATOM 92 CB ASP A 6 3.775 0.250 -9.203 1.00 0.00 C ATOM 93 CG ASP A 6 3.356 -0.797 -10.220 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.493 -0.488 -11.090 1.00 0.00 O ATOM 95 OD2 ASP A 6 3.859 -1.926 -10.173 1.00 0.00 O ATOM 0 H ASP A 6 3.414 1.820 -6.851 1.00 0.00 H new ATOM 0 HA ASP A 6 1.960 1.366 -9.381 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.424 0.980 -9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.361 -0.227 -8.417 1.00 0.00 H new ATOM 100 N PHE A 7 0.946 -0.754 -8.379 1.00 0.00 N ATOM 101 CA PHE A 7 0.098 -1.705 -7.710 1.00 0.00 C ATOM 102 C PHE A 7 0.336 -3.074 -8.293 1.00 0.00 C ATOM 103 O PHE A 7 0.534 -3.207 -9.511 1.00 0.00 O ATOM 104 CB PHE A 7 -1.388 -1.379 -7.929 1.00 0.00 C ATOM 105 CG PHE A 7 -1.890 -0.057 -7.418 1.00 0.00 C ATOM 106 CD1 PHE A 7 -2.411 0.054 -6.143 1.00 0.00 C ATOM 107 CD2 PHE A 7 -1.883 1.064 -8.235 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.915 1.255 -5.687 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.379 2.269 -7.785 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.898 2.366 -6.508 1.00 0.00 C ATOM 0 H PHE A 7 0.839 -0.744 -9.393 1.00 0.00 H new ATOM 0 HA PHE A 7 0.333 -1.667 -6.646 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.588 -1.424 -8.999 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.978 -2.167 -7.461 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -2.424 -0.810 -5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.484 0.992 -9.236 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.322 1.326 -4.689 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.362 3.136 -8.429 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.289 3.308 -6.153 1.00 0.00 H new ATOM 120 N ASP A 8 0.344 -4.077 -7.456 1.00 0.00 N ATOM 121 CA ASP A 8 0.377 -5.444 -7.929 1.00 0.00 C ATOM 122 C ASP A 8 -0.977 -5.777 -8.530 1.00 0.00 C ATOM 123 O ASP A 8 -1.975 -5.131 -8.182 1.00 0.00 O ATOM 124 CB ASP A 8 0.712 -6.438 -6.815 1.00 0.00 C ATOM 125 CG ASP A 8 0.712 -7.859 -7.333 1.00 0.00 C ATOM 126 OD1 ASP A 8 1.706 -8.266 -7.990 1.00 0.00 O ATOM 127 OD2 ASP A 8 -0.290 -8.567 -7.150 1.00 0.00 O ATOM 0 H ASP A 8 0.328 -3.978 -6.441 1.00 0.00 H new ATOM 0 HA ASP A 8 1.166 -5.530 -8.676 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.689 -6.201 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.014 -6.342 -6.008 1.00 0.00 H new ATOM 132 N GLU A 9 -1.020 -6.743 -9.431 1.00 0.00 N ATOM 133 CA GLU A 9 -2.252 -7.143 -10.059 1.00 0.00 C ATOM 134 C GLU A 9 -3.343 -7.491 -9.033 1.00 0.00 C ATOM 135 O GLU A 9 -4.490 -7.113 -9.238 1.00 0.00 O ATOM 136 CB GLU A 9 -2.056 -8.313 -11.016 1.00 0.00 C ATOM 137 CG GLU A 9 -1.424 -9.530 -10.385 1.00 0.00 C ATOM 138 CD GLU A 9 -1.826 -10.788 -11.081 1.00 0.00 C ATOM 139 OE1 GLU A 9 -1.173 -11.198 -12.054 1.00 0.00 O ATOM 140 OE2 GLU A 9 -2.852 -11.382 -10.673 1.00 0.00 O ATOM 0 H GLU A 9 -0.201 -7.266 -9.742 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.584 -6.278 -10.633 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.024 -8.594 -11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.435 -7.986 -11.850 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.339 -9.431 -10.412 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.713 -9.587 -9.336 1.00 0.00 H new ATOM 147 N ARG A 10 -2.995 -8.161 -7.897 1.00 0.00 N ATOM 148 CA ARG A 10 -4.041 -8.486 -6.916 1.00 0.00 C ATOM 149 C ARG A 10 -4.559 -7.216 -6.298 1.00 0.00 C ATOM 150 O ARG A 10 -5.752 -7.050 -6.137 1.00 0.00 O ATOM 151 CB ARG A 10 -3.627 -9.483 -5.793 1.00 0.00 C ATOM 152 CG ARG A 10 -2.561 -8.989 -4.811 1.00 0.00 C ATOM 153 CD ARG A 10 -2.553 -9.821 -3.523 1.00 0.00 C ATOM 154 NE ARG A 10 -3.789 -9.628 -2.709 1.00 0.00 N ATOM 155 CZ ARG A 10 -4.219 -10.439 -1.716 1.00 0.00 C ATOM 156 NH1 ARG A 10 -3.553 -11.536 -1.394 1.00 0.00 N ATOM 157 NH2 ARG A 10 -5.332 -10.143 -1.053 1.00 0.00 N ATOM 0 H ARG A 10 -2.052 -8.466 -7.657 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.814 -9.005 -7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.519 -9.750 -5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.263 -10.397 -6.263 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.580 -9.038 -5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.746 -7.943 -4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.450 -10.876 -3.777 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.683 -9.551 -2.925 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.361 -8.811 -2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.701 -11.781 -1.898 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.892 -12.136 -0.642 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.861 -9.305 -1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.657 -10.754 -0.304 1.00 0.00 H new ATOM 171 N ALA A 11 -3.645 -6.287 -6.051 1.00 0.00 N ATOM 172 CA ALA A 11 -3.966 -5.027 -5.439 1.00 0.00 C ATOM 173 C ALA A 11 -4.879 -4.225 -6.342 1.00 0.00 C ATOM 174 O ALA A 11 -5.785 -3.593 -5.876 1.00 0.00 O ATOM 175 CB ALA A 11 -2.700 -4.249 -5.104 1.00 0.00 C ATOM 0 H ALA A 11 -2.656 -6.398 -6.275 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.492 -5.218 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.968 -3.299 -4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.089 -4.829 -4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.136 -4.061 -6.018 1.00 0.00 H new ATOM 181 N LEU A 12 -4.653 -4.303 -7.647 1.00 0.00 N ATOM 182 CA LEU A 12 -5.498 -3.625 -8.607 1.00 0.00 C ATOM 183 C LEU A 12 -6.878 -4.236 -8.634 1.00 0.00 C ATOM 184 O LEU A 12 -7.872 -3.528 -8.633 1.00 0.00 O ATOM 185 CB LEU A 12 -4.876 -3.638 -10.000 1.00 0.00 C ATOM 186 CG LEU A 12 -3.755 -2.635 -10.240 1.00 0.00 C ATOM 187 CD1 LEU A 12 -3.104 -2.881 -11.591 1.00 0.00 C ATOM 188 CD2 LEU A 12 -4.308 -1.207 -10.177 1.00 0.00 C ATOM 0 H LEU A 12 -3.886 -4.833 -8.061 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.589 -2.586 -8.291 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.489 -4.638 -10.194 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.664 -3.454 -10.730 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.002 -2.761 -9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.305 -2.156 -11.747 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.690 -3.889 -11.617 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.850 -2.775 -12.379 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.500 -0.496 -10.350 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.074 -1.079 -10.942 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.744 -1.029 -9.194 1.00 0.00 H new ATOM 200 N LYS A 13 -6.929 -5.543 -8.612 1.00 0.00 N ATOM 201 CA LYS A 13 -8.183 -6.272 -8.625 1.00 0.00 C ATOM 202 C LYS A 13 -8.998 -5.964 -7.365 1.00 0.00 C ATOM 203 O LYS A 13 -10.216 -5.732 -7.437 1.00 0.00 O ATOM 204 CB LYS A 13 -7.898 -7.770 -8.795 1.00 0.00 C ATOM 205 CG LYS A 13 -7.270 -8.073 -10.152 1.00 0.00 C ATOM 206 CD LYS A 13 -6.602 -9.437 -10.215 1.00 0.00 C ATOM 207 CE LYS A 13 -5.979 -9.647 -11.593 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.261 -10.929 -11.720 1.00 0.00 N ATOM 0 H LYS A 13 -6.102 -6.139 -8.584 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.791 -5.952 -9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.230 -8.106 -8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.826 -8.332 -8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.040 -8.018 -10.921 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.533 -7.304 -10.383 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.835 -9.512 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.334 -10.220 -10.014 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.763 -9.601 -12.349 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.288 -8.830 -11.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.143 -11.163 -12.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.326 -10.849 -11.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.807 -11.680 -11.252 1.00 0.00 H new ATOM 222 N GLU A 14 -8.317 -5.915 -6.231 1.00 0.00 N ATOM 223 CA GLU A 14 -8.937 -5.562 -4.967 1.00 0.00 C ATOM 224 C GLU A 14 -9.334 -4.080 -4.949 1.00 0.00 C ATOM 225 O GLU A 14 -10.397 -3.733 -4.482 1.00 0.00 O ATOM 226 CB GLU A 14 -8.013 -5.911 -3.797 1.00 0.00 C ATOM 227 CG GLU A 14 -7.662 -7.388 -3.749 1.00 0.00 C ATOM 228 CD GLU A 14 -6.740 -7.765 -2.624 1.00 0.00 C ATOM 229 OE1 GLU A 14 -5.511 -7.570 -2.738 1.00 0.00 O ATOM 230 OE2 GLU A 14 -7.223 -8.328 -1.610 1.00 0.00 O ATOM 0 H GLU A 14 -7.320 -6.119 -6.163 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.850 -6.147 -4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.097 -5.326 -3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.494 -5.625 -2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.582 -7.966 -3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.199 -7.671 -4.694 1.00 0.00 H new ATOM 237 N TRP A 15 -8.486 -3.236 -5.504 1.00 0.00 N ATOM 238 CA TRP A 15 -8.714 -1.783 -5.610 1.00 0.00 C ATOM 239 C TRP A 15 -9.981 -1.498 -6.438 1.00 0.00 C ATOM 240 O TRP A 15 -10.792 -0.623 -6.100 1.00 0.00 O ATOM 241 CB TRP A 15 -7.475 -1.154 -6.281 1.00 0.00 C ATOM 242 CG TRP A 15 -7.470 0.330 -6.432 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.843 1.045 -7.532 1.00 0.00 C ATOM 244 CD2 TRP A 15 -7.022 1.278 -5.467 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.679 2.387 -7.296 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.173 2.555 -6.035 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.518 1.171 -4.168 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.832 3.712 -5.355 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.178 2.321 -3.495 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.337 3.575 -4.088 1.00 0.00 C ATOM 0 H TRP A 15 -7.597 -3.534 -5.906 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.862 -1.351 -4.620 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.595 -1.439 -5.704 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.364 -1.596 -7.271 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.213 0.618 -8.453 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.898 3.136 -7.952 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.398 0.204 -3.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.952 4.685 -5.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.782 2.253 -2.493 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.062 4.459 -3.532 1.00 0.00 H new ATOM 261 N ARG A 16 -10.145 -2.248 -7.507 1.00 0.00 N ATOM 262 CA ARG A 16 -11.305 -2.123 -8.376 1.00 0.00 C ATOM 263 C ARG A 16 -12.539 -2.709 -7.702 1.00 0.00 C ATOM 264 O ARG A 16 -13.663 -2.229 -7.919 1.00 0.00 O ATOM 265 CB ARG A 16 -11.034 -2.799 -9.713 1.00 0.00 C ATOM 266 CG ARG A 16 -9.876 -2.171 -10.460 1.00 0.00 C ATOM 267 CD ARG A 16 -9.466 -3.000 -11.646 1.00 0.00 C ATOM 268 NE ARG A 16 -8.218 -2.516 -12.238 1.00 0.00 N ATOM 269 CZ ARG A 16 -7.314 -3.291 -12.847 1.00 0.00 C ATOM 270 NH1 ARG A 16 -7.523 -4.604 -12.949 1.00 0.00 N ATOM 271 NH2 ARG A 16 -6.195 -2.757 -13.338 1.00 0.00 N ATOM 0 H ARG A 16 -9.480 -2.963 -7.802 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.496 -1.066 -8.563 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.823 -3.855 -9.546 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.931 -2.747 -10.330 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.157 -1.172 -10.794 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.027 -2.055 -9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.345 -4.039 -11.340 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.257 -2.979 -12.396 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.024 -1.516 -12.182 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.372 -5.017 -12.563 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.834 -5.196 -13.413 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.027 -1.755 -13.250 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.507 -3.351 -13.802 1.00 0.00 H new ATOM 285 N LYS A 17 -12.316 -3.722 -6.876 1.00 0.00 N ATOM 286 CA LYS A 17 -13.365 -4.359 -6.085 1.00 0.00 C ATOM 287 C LYS A 17 -13.893 -3.380 -5.043 1.00 0.00 C ATOM 288 O LYS A 17 -15.100 -3.272 -4.826 1.00 0.00 O ATOM 289 CB LYS A 17 -12.791 -5.578 -5.362 1.00 0.00 C ATOM 290 CG LYS A 17 -13.769 -6.279 -4.434 1.00 0.00 C ATOM 291 CD LYS A 17 -13.073 -7.302 -3.548 1.00 0.00 C ATOM 292 CE LYS A 17 -12.411 -8.398 -4.353 1.00 0.00 C ATOM 293 NZ LYS A 17 -11.787 -9.409 -3.486 1.00 0.00 N ATOM 0 H LYS A 17 -11.392 -4.131 -6.733 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.173 -4.663 -6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.439 -6.293 -6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.921 -5.265 -4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.272 -5.540 -3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.540 -6.774 -5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.324 -6.800 -2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.799 -7.743 -2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.151 -8.876 -4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.655 -7.963 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.344 -10.144 -4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.063 -8.957 -2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.513 -9.842 -2.879 1.00 0.00 H new ATOM 307 N LEU A 18 -12.959 -2.693 -4.408 1.00 0.00 N ATOM 308 CA LEU A 18 -13.223 -1.722 -3.361 1.00 0.00 C ATOM 309 C LEU A 18 -14.223 -0.659 -3.763 1.00 0.00 C ATOM 310 O LEU A 18 -14.390 -0.325 -4.960 1.00 0.00 O ATOM 311 CB LEU A 18 -11.924 -1.044 -2.908 1.00 0.00 C ATOM 312 CG LEU A 18 -11.353 -1.459 -1.546 1.00 0.00 C ATOM 313 CD1 LEU A 18 -11.058 -2.948 -1.474 1.00 0.00 C ATOM 314 CD2 LEU A 18 -10.108 -0.656 -1.241 1.00 0.00 C ATOM 0 H LEU A 18 -11.966 -2.799 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.661 -2.288 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.163 -1.233 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.094 0.032 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.113 -1.249 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.656 -3.192 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.977 -3.510 -1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.329 -3.212 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.709 -0.957 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.360 -0.837 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.356 0.405 -1.217 1.00 0.00 H new ATOM 326 N GLY A 19 -14.887 -0.140 -2.760 1.00 0.00 N ATOM 327 CA GLY A 19 -15.809 0.923 -2.939 1.00 0.00 C ATOM 328 C GLY A 19 -15.075 2.151 -3.370 1.00 0.00 C ATOM 329 O GLY A 19 -13.958 2.414 -2.889 1.00 0.00 O ATOM 0 H GLY A 19 -14.793 -0.455 -1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.554 0.650 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.345 1.114 -2.009 1.00 0.00 H new ATOM 333 N SER A 20 -15.676 2.892 -4.250 1.00 0.00 N ATOM 334 CA SER A 20 -15.090 4.057 -4.849 1.00 0.00 C ATOM 335 C SER A 20 -14.586 5.078 -3.815 1.00 0.00 C ATOM 336 O SER A 20 -13.450 5.519 -3.886 1.00 0.00 O ATOM 337 CB SER A 20 -16.107 4.636 -5.817 1.00 0.00 C ATOM 338 OG SER A 20 -17.429 4.451 -5.303 1.00 0.00 O ATOM 0 H SER A 20 -16.620 2.698 -4.584 1.00 0.00 H new ATOM 0 HA SER A 20 -14.188 3.777 -5.393 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.912 5.697 -5.971 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.014 4.151 -6.789 1.00 0.00 H new ATOM 0 HG SER A 20 -18.080 4.828 -5.931 1.00 0.00 H new ATOM 344 N THR A 21 -15.393 5.359 -2.825 1.00 0.00 N ATOM 345 CA THR A 21 -15.054 6.319 -1.790 1.00 0.00 C ATOM 346 C THR A 21 -13.913 5.792 -0.907 1.00 0.00 C ATOM 347 O THR A 21 -13.007 6.547 -0.512 1.00 0.00 O ATOM 348 CB THR A 21 -16.298 6.629 -0.940 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.347 7.088 -1.817 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.009 7.697 0.105 1.00 0.00 C ATOM 0 H THR A 21 -16.311 4.929 -2.708 1.00 0.00 H new ATOM 0 HA THR A 21 -14.711 7.238 -2.265 1.00 0.00 H new ATOM 0 HB THR A 21 -16.599 5.722 -0.415 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.149 7.289 -1.291 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.910 7.890 0.687 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.216 7.352 0.768 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.693 8.615 -0.391 1.00 0.00 H new ATOM 358 N VAL A 22 -13.930 4.487 -0.670 1.00 0.00 N ATOM 359 CA VAL A 22 -12.931 3.842 0.150 1.00 0.00 C ATOM 360 C VAL A 22 -11.582 3.936 -0.539 1.00 0.00 C ATOM 361 O VAL A 22 -10.582 4.363 0.051 1.00 0.00 O ATOM 362 CB VAL A 22 -13.288 2.346 0.353 1.00 0.00 C ATOM 363 CG1 VAL A 22 -12.212 1.625 1.136 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.636 2.196 1.043 1.00 0.00 C ATOM 0 H VAL A 22 -14.637 3.853 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.895 4.338 1.120 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.353 1.888 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.492 0.579 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.267 1.685 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.101 2.091 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.862 1.138 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.602 2.682 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.411 2.660 0.433 1.00 0.00 H new ATOM 374 N ARG A 23 -11.574 3.600 -1.807 1.00 0.00 N ATOM 375 CA ARG A 23 -10.368 3.651 -2.573 1.00 0.00 C ATOM 376 C ARG A 23 -9.887 5.080 -2.804 1.00 0.00 C ATOM 377 O ARG A 23 -8.701 5.311 -2.839 1.00 0.00 O ATOM 378 CB ARG A 23 -10.425 2.834 -3.851 1.00 0.00 C ATOM 379 CG ARG A 23 -11.528 3.202 -4.806 1.00 0.00 C ATOM 380 CD ARG A 23 -11.251 2.592 -6.150 1.00 0.00 C ATOM 381 NE ARG A 23 -12.296 2.894 -7.138 1.00 0.00 N ATOM 382 CZ ARG A 23 -13.027 1.970 -7.793 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.888 0.669 -7.504 1.00 0.00 N ATOM 384 NH2 ARG A 23 -13.904 2.356 -8.720 1.00 0.00 N ATOM 0 H ARG A 23 -12.396 3.288 -2.325 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.610 3.165 -1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.471 2.935 -4.369 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.534 1.783 -3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.486 2.849 -4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.600 4.286 -4.895 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.292 2.957 -6.519 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.161 1.511 -6.042 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.482 3.876 -7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.227 0.374 -6.786 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.443 -0.026 -8.002 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.020 3.347 -8.931 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.459 1.660 -9.218 1.00 0.00 H new ATOM 398 N GLU A 24 -10.816 6.030 -2.972 1.00 0.00 N ATOM 399 CA GLU A 24 -10.450 7.451 -3.090 1.00 0.00 C ATOM 400 C GLU A 24 -9.667 7.901 -1.876 1.00 0.00 C ATOM 401 O GLU A 24 -8.645 8.569 -2.005 1.00 0.00 O ATOM 402 CB GLU A 24 -11.678 8.345 -3.244 1.00 0.00 C ATOM 403 CG GLU A 24 -12.346 8.281 -4.597 1.00 0.00 C ATOM 404 CD GLU A 24 -13.626 9.072 -4.635 1.00 0.00 C ATOM 405 OE1 GLU A 24 -13.577 10.319 -4.636 1.00 0.00 O ATOM 406 OE2 GLU A 24 -14.715 8.459 -4.655 1.00 0.00 O ATOM 0 H GLU A 24 -11.818 5.845 -3.029 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.836 7.545 -3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.407 8.070 -2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.385 9.376 -3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.663 8.661 -5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.555 7.241 -4.849 1.00 0.00 H new ATOM 413 N GLN A 25 -10.123 7.496 -0.701 1.00 0.00 N ATOM 414 CA GLN A 25 -9.471 7.872 0.534 1.00 0.00 C ATOM 415 C GLN A 25 -8.094 7.243 0.644 1.00 0.00 C ATOM 416 O GLN A 25 -7.143 7.889 1.086 1.00 0.00 O ATOM 417 CB GLN A 25 -10.353 7.558 1.744 1.00 0.00 C ATOM 418 CG GLN A 25 -10.917 8.808 2.418 1.00 0.00 C ATOM 419 CD GLN A 25 -11.724 9.726 1.490 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.716 10.947 1.668 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.451 9.172 0.546 1.00 0.00 N ATOM 0 H GLN A 25 -10.946 6.905 -0.581 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.324 8.952 0.522 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.178 6.920 1.428 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.772 6.991 2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.554 8.501 3.248 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.092 9.379 2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.439 8.160 0.421 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.027 9.754 -0.062 1.00 0.00 H new ATOM 430 N LEU A 26 -7.982 6.005 0.200 1.00 0.00 N ATOM 431 CA LEU A 26 -6.703 5.313 0.180 1.00 0.00 C ATOM 432 C LEU A 26 -5.763 5.963 -0.828 1.00 0.00 C ATOM 433 O LEU A 26 -4.586 6.160 -0.546 1.00 0.00 O ATOM 434 CB LEU A 26 -6.886 3.835 -0.144 1.00 0.00 C ATOM 435 CG LEU A 26 -7.667 3.002 0.884 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.794 1.574 0.415 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.990 3.049 2.250 1.00 0.00 C ATOM 0 H LEU A 26 -8.764 5.454 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.261 5.391 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.395 3.756 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.900 3.388 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.664 3.431 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.350 0.996 1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.323 1.550 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.801 1.143 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.562 2.452 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.980 2.648 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.944 4.081 2.598 1.00 0.00 H new ATOM 449 N LYS A 27 -6.299 6.303 -1.996 1.00 0.00 N ATOM 450 CA LYS A 27 -5.552 6.993 -3.044 1.00 0.00 C ATOM 451 C LYS A 27 -4.977 8.306 -2.518 1.00 0.00 C ATOM 452 O LYS A 27 -3.826 8.646 -2.797 1.00 0.00 O ATOM 453 CB LYS A 27 -6.460 7.298 -4.222 1.00 0.00 C ATOM 454 CG LYS A 27 -5.731 7.945 -5.384 1.00 0.00 C ATOM 455 CD LYS A 27 -6.682 8.460 -6.445 1.00 0.00 C ATOM 456 CE LYS A 27 -7.457 9.671 -5.958 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.351 10.198 -6.995 1.00 0.00 N ATOM 0 H LYS A 27 -7.269 6.107 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.739 6.340 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.926 6.373 -4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.263 7.957 -3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.122 8.770 -5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.049 7.221 -5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.121 8.723 -7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.378 7.670 -6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.041 9.400 -5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.759 10.449 -5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.863 11.024 -6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.791 10.481 -7.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.033 9.463 -7.271 1.00 0.00 H new ATOM 471 N LYS A 28 -5.798 9.037 -1.769 1.00 0.00 N ATOM 472 CA LYS A 28 -5.384 10.287 -1.141 1.00 0.00 C ATOM 473 C LYS A 28 -4.183 10.058 -0.254 1.00 0.00 C ATOM 474 O LYS A 28 -3.227 10.832 -0.283 1.00 0.00 O ATOM 475 CB LYS A 28 -6.515 10.889 -0.312 1.00 0.00 C ATOM 476 CG LYS A 28 -7.686 11.368 -1.112 1.00 0.00 C ATOM 477 CD LYS A 28 -8.777 11.870 -0.198 1.00 0.00 C ATOM 478 CE LYS A 28 -9.945 12.401 -0.984 1.00 0.00 C ATOM 479 NZ LYS A 28 -9.581 13.580 -1.809 1.00 0.00 N ATOM 0 H LYS A 28 -6.767 8.780 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.123 10.985 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.861 10.143 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.120 11.725 0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.372 12.165 -1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.067 10.557 -1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.111 11.061 0.452 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.382 12.655 0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.333 11.614 -1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.747 12.674 -0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.446 14.061 -2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.008 14.237 -1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.033 13.269 -2.637 1.00 0.00 H new ATOM 493 N LYS A 29 -4.223 8.982 0.502 1.00 0.00 N ATOM 494 CA LYS A 29 -3.132 8.628 1.383 1.00 0.00 C ATOM 495 C LYS A 29 -1.880 8.285 0.587 1.00 0.00 C ATOM 496 O LYS A 29 -0.783 8.658 0.967 1.00 0.00 O ATOM 497 CB LYS A 29 -3.522 7.473 2.299 1.00 0.00 C ATOM 498 CG LYS A 29 -4.744 7.736 3.172 1.00 0.00 C ATOM 499 CD LYS A 29 -4.532 8.904 4.121 1.00 0.00 C ATOM 500 CE LYS A 29 -5.758 9.123 4.987 1.00 0.00 C ATOM 501 NZ LYS A 29 -5.568 10.225 5.957 1.00 0.00 N ATOM 0 H LYS A 29 -5.008 8.331 0.523 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.911 9.494 2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.712 6.591 1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.676 7.237 2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.606 7.939 2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.977 6.840 3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.664 8.713 4.753 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.318 9.808 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.615 9.345 4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.990 8.204 5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.431 10.338 6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.767 10.003 6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.373 11.109 5.445 1.00 0.00 H new ATOM 515 N LEU A 30 -2.060 7.610 -0.535 1.00 0.00 N ATOM 516 CA LEU A 30 -0.955 7.232 -1.394 1.00 0.00 C ATOM 517 C LEU A 30 -0.277 8.449 -2.000 1.00 0.00 C ATOM 518 O LEU A 30 0.950 8.569 -1.965 1.00 0.00 O ATOM 519 CB LEU A 30 -1.434 6.300 -2.507 1.00 0.00 C ATOM 520 CG LEU A 30 -2.040 4.978 -2.056 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.507 4.175 -3.250 1.00 0.00 C ATOM 522 CD2 LEU A 30 -1.037 4.192 -1.233 1.00 0.00 C ATOM 0 H LEU A 30 -2.974 7.310 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.226 6.708 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.175 6.831 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.590 6.085 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.907 5.187 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.937 3.233 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.261 4.741 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.660 3.971 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.484 3.249 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.151 3.990 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.754 4.771 -0.354 1.00 0.00 H new ATOM 534 N VAL A 31 -1.067 9.366 -2.523 1.00 0.00 N ATOM 535 CA VAL A 31 -0.509 10.532 -3.170 1.00 0.00 C ATOM 536 C VAL A 31 0.228 11.436 -2.162 1.00 0.00 C ATOM 537 O VAL A 31 1.314 11.939 -2.456 1.00 0.00 O ATOM 538 CB VAL A 31 -1.562 11.322 -4.028 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.675 11.926 -3.191 1.00 0.00 C ATOM 540 CG2 VAL A 31 -0.894 12.382 -4.890 1.00 0.00 C ATOM 0 H VAL A 31 -2.086 9.326 -2.512 1.00 0.00 H new ATOM 0 HA VAL A 31 0.232 10.170 -3.882 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.028 10.588 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.370 12.459 -3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.205 11.133 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.250 12.621 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.651 12.909 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.367 13.091 -4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.184 11.906 -5.567 1.00 0.00 H new ATOM 550 N GLU A 32 -0.344 11.622 -0.973 1.00 0.00 N ATOM 551 CA GLU A 32 0.312 12.427 0.051 1.00 0.00 C ATOM 552 C GLU A 32 1.553 11.729 0.610 1.00 0.00 C ATOM 553 O GLU A 32 2.564 12.366 0.867 1.00 0.00 O ATOM 554 CB GLU A 32 -0.639 12.839 1.184 1.00 0.00 C ATOM 555 CG GLU A 32 -1.211 11.689 1.985 1.00 0.00 C ATOM 556 CD GLU A 32 -2.106 12.142 3.093 1.00 0.00 C ATOM 557 OE1 GLU A 32 -1.600 12.430 4.196 1.00 0.00 O ATOM 558 OE2 GLU A 32 -3.323 12.225 2.888 1.00 0.00 O ATOM 0 H GLU A 32 -1.246 11.232 -0.700 1.00 0.00 H new ATOM 0 HA GLU A 32 0.631 13.343 -0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.106 13.505 1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.463 13.411 0.757 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.770 11.031 1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.393 11.101 2.402 1.00 0.00 H new ATOM 565 N VAL A 33 1.476 10.411 0.765 1.00 0.00 N ATOM 566 CA VAL A 33 2.556 9.652 1.359 1.00 0.00 C ATOM 567 C VAL A 33 3.817 9.709 0.498 1.00 0.00 C ATOM 568 O VAL A 33 4.897 9.662 1.008 1.00 0.00 O ATOM 569 CB VAL A 33 2.168 8.186 1.748 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.222 7.213 0.577 1.00 0.00 C ATOM 571 CG2 VAL A 33 2.991 7.697 2.927 1.00 0.00 C ATOM 0 H VAL A 33 0.671 9.850 0.484 1.00 0.00 H new ATOM 0 HA VAL A 33 2.777 10.142 2.307 1.00 0.00 H new ATOM 0 HB VAL A 33 1.122 8.217 2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.941 6.217 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.529 7.539 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.234 7.186 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.700 6.676 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.049 7.720 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.815 8.344 3.787 1.00 0.00 H new ATOM 581 N LEU A 34 3.643 9.837 -0.815 1.00 0.00 N ATOM 582 CA LEU A 34 4.756 9.895 -1.773 1.00 0.00 C ATOM 583 C LEU A 34 5.796 10.987 -1.458 1.00 0.00 C ATOM 584 O LEU A 34 6.957 10.839 -1.838 1.00 0.00 O ATOM 585 CB LEU A 34 4.234 10.117 -3.200 1.00 0.00 C ATOM 586 CG LEU A 34 3.427 8.981 -3.824 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.884 9.403 -5.178 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.287 7.740 -3.972 1.00 0.00 C ATOM 0 H LEU A 34 2.724 9.904 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 34 5.256 8.930 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.614 11.013 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.088 10.321 -3.846 1.00 0.00 H new ATOM 0 HG LEU A 34 2.590 8.750 -3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.311 8.584 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.239 10.273 -5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.713 9.656 -5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.697 6.940 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.140 7.963 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.643 7.425 -2.991 1.00 0.00 H new ATOM 600 N GLU A 35 5.404 12.067 -0.774 1.00 0.00 N ATOM 601 CA GLU A 35 6.372 13.115 -0.472 1.00 0.00 C ATOM 602 C GLU A 35 7.251 12.768 0.739 1.00 0.00 C ATOM 603 O GLU A 35 8.416 13.172 0.820 1.00 0.00 O ATOM 604 CB GLU A 35 5.710 14.505 -0.385 1.00 0.00 C ATOM 605 CG GLU A 35 4.539 14.649 0.586 1.00 0.00 C ATOM 606 CD GLU A 35 4.932 14.652 2.039 1.00 0.00 C ATOM 607 OE1 GLU A 35 5.861 15.392 2.416 1.00 0.00 O ATOM 608 OE2 GLU A 35 4.316 13.914 2.837 1.00 0.00 O ATOM 0 H GLU A 35 4.458 12.232 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 35 7.061 13.172 -1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.475 15.229 -0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.362 14.779 -1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.010 15.576 0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.838 13.833 0.414 1.00 0.00 H new ATOM 615 N SER A 36 6.700 12.005 1.644 1.00 0.00 N ATOM 616 CA SER A 36 7.410 11.536 2.809 1.00 0.00 C ATOM 617 C SER A 36 6.963 10.111 3.113 1.00 0.00 C ATOM 618 O SER A 36 6.169 9.893 4.010 1.00 0.00 O ATOM 619 CB SER A 36 7.159 12.451 4.031 1.00 0.00 C ATOM 620 OG SER A 36 7.553 13.808 3.784 1.00 0.00 O ATOM 0 H SER A 36 5.732 11.686 1.595 1.00 0.00 H new ATOM 0 HA SER A 36 8.480 11.557 2.604 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.101 12.424 4.291 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.709 12.066 4.890 1.00 0.00 H new ATOM 0 HG SER A 36 6.763 14.343 3.561 1.00 0.00 H new ATOM 626 N PRO A 37 7.381 9.119 2.293 1.00 0.00 N ATOM 627 CA PRO A 37 6.977 7.736 2.503 1.00 0.00 C ATOM 628 C PRO A 37 7.676 7.111 3.682 1.00 0.00 C ATOM 629 O PRO A 37 7.131 6.246 4.335 1.00 0.00 O ATOM 630 CB PRO A 37 7.358 7.038 1.199 1.00 0.00 C ATOM 631 CG PRO A 37 8.467 7.855 0.658 1.00 0.00 C ATOM 632 CD PRO A 37 8.172 9.274 1.053 1.00 0.00 C ATOM 0 HA PRO A 37 5.915 7.652 2.734 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.671 6.009 1.375 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.517 7.001 0.507 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.425 7.529 1.064 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.530 7.757 -0.426 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.086 9.843 1.226 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.611 9.799 0.280 1.00 0.00 H new ATOM 640 N ARG A 38 8.866 7.595 3.975 1.00 0.00 N ATOM 641 CA ARG A 38 9.662 7.084 5.078 1.00 0.00 C ATOM 642 C ARG A 38 9.233 7.617 6.438 1.00 0.00 C ATOM 643 O ARG A 38 9.929 8.406 7.073 1.00 0.00 O ATOM 644 CB ARG A 38 11.188 7.197 4.828 1.00 0.00 C ATOM 645 CG ARG A 38 11.618 8.352 3.919 1.00 0.00 C ATOM 646 CD ARG A 38 11.271 9.732 4.459 1.00 0.00 C ATOM 647 NE ARG A 38 11.523 10.739 3.437 1.00 0.00 N ATOM 648 CZ ARG A 38 11.094 12.001 3.431 1.00 0.00 C ATOM 649 NH1 ARG A 38 10.496 12.520 4.498 1.00 0.00 N ATOM 650 NH2 ARG A 38 11.300 12.750 2.353 1.00 0.00 N ATOM 0 H ARG A 38 9.310 8.353 3.457 1.00 0.00 H new ATOM 0 HA ARG A 38 9.449 6.016 5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.690 7.307 5.789 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.538 6.262 4.390 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.695 8.295 3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.148 8.227 2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.224 9.762 4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.866 9.945 5.347 1.00 0.00 H new ATOM 0 HE ARG A 38 12.089 10.447 2.640 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.361 11.951 5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.172 13.487 4.481 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.781 12.358 1.544 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.977 13.717 2.335 1.00 0.00 H new ATOM 664 N ILE A 39 8.049 7.234 6.816 1.00 0.00 N ATOM 665 CA ILE A 39 7.479 7.546 8.105 1.00 0.00 C ATOM 666 C ILE A 39 7.565 6.289 8.960 1.00 0.00 C ATOM 667 O ILE A 39 6.922 5.279 8.645 1.00 0.00 O ATOM 668 CB ILE A 39 5.988 7.979 7.964 1.00 0.00 C ATOM 669 CG1 ILE A 39 5.878 9.205 7.049 1.00 0.00 C ATOM 670 CG2 ILE A 39 5.380 8.283 9.333 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.455 9.630 6.733 1.00 0.00 C ATOM 0 H ILE A 39 7.431 6.680 6.223 1.00 0.00 H new ATOM 0 HA ILE A 39 8.025 8.372 8.561 1.00 0.00 H new ATOM 0 HB ILE A 39 5.431 7.155 7.518 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.397 10.040 7.518 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.396 8.992 6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.339 8.583 9.210 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.429 7.392 9.959 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.937 9.091 9.807 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.472 10.503 6.081 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.934 8.814 6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.935 9.878 7.658 1.00 0.00 H new ATOM 683 N GLU A 40 8.349 6.344 10.033 1.00 0.00 N ATOM 684 CA GLU A 40 8.578 5.174 10.897 1.00 0.00 C ATOM 685 C GLU A 40 7.277 4.642 11.508 1.00 0.00 C ATOM 686 O GLU A 40 7.132 3.447 11.735 1.00 0.00 O ATOM 687 CB GLU A 40 9.587 5.487 12.000 1.00 0.00 C ATOM 688 CG GLU A 40 9.159 6.595 12.934 1.00 0.00 C ATOM 689 CD GLU A 40 10.111 6.775 14.067 1.00 0.00 C ATOM 690 OE1 GLU A 40 9.965 6.088 15.094 1.00 0.00 O ATOM 691 OE2 GLU A 40 11.022 7.608 13.962 1.00 0.00 O ATOM 0 H GLU A 40 8.841 7.186 10.331 1.00 0.00 H new ATOM 0 HA GLU A 40 8.990 4.393 10.258 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.763 4.583 12.583 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.537 5.760 11.541 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.080 7.528 12.376 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.167 6.374 13.327 1.00 0.00 H new ATOM 698 N ALA A 41 6.318 5.536 11.696 1.00 0.00 N ATOM 699 CA ALA A 41 5.038 5.203 12.306 1.00 0.00 C ATOM 700 C ALA A 41 4.218 4.234 11.450 1.00 0.00 C ATOM 701 O ALA A 41 3.302 3.564 11.948 1.00 0.00 O ATOM 702 CB ALA A 41 4.245 6.472 12.570 1.00 0.00 C ATOM 0 H ALA A 41 6.405 6.517 11.429 1.00 0.00 H new ATOM 0 HA ALA A 41 5.247 4.698 13.249 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.289 6.215 13.026 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.807 7.119 13.244 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.070 6.994 11.629 1.00 0.00 H new ATOM 708 N ASN A 42 4.541 4.139 10.180 1.00 0.00 N ATOM 709 CA ASN A 42 3.792 3.263 9.296 1.00 0.00 C ATOM 710 C ASN A 42 4.576 2.029 8.925 1.00 0.00 C ATOM 711 O ASN A 42 4.052 1.156 8.236 1.00 0.00 O ATOM 712 CB ASN A 42 3.316 3.984 8.024 1.00 0.00 C ATOM 713 CG ASN A 42 2.243 5.019 8.277 1.00 0.00 C ATOM 714 OD1 ASN A 42 1.458 4.910 9.217 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.185 6.022 7.437 1.00 0.00 N ATOM 0 H ASN A 42 5.306 4.648 9.737 1.00 0.00 H new ATOM 0 HA ASN A 42 2.911 2.955 9.860 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.170 4.468 7.550 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.936 3.245 7.319 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.473 6.743 7.552 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.852 6.082 6.668 1.00 0.00 H new ATOM 722 N LYS A 43 5.814 1.931 9.396 1.00 0.00 N ATOM 723 CA LYS A 43 6.658 0.810 9.017 1.00 0.00 C ATOM 724 C LYS A 43 6.268 -0.452 9.728 1.00 0.00 C ATOM 725 O LYS A 43 5.908 -0.451 10.933 1.00 0.00 O ATOM 726 CB LYS A 43 8.164 1.070 9.220 1.00 0.00 C ATOM 727 CG LYS A 43 8.666 2.294 8.503 1.00 0.00 C ATOM 728 CD LYS A 43 10.189 2.370 8.383 1.00 0.00 C ATOM 729 CE LYS A 43 10.707 1.429 7.287 1.00 0.00 C ATOM 730 NZ LYS A 43 12.150 1.613 7.014 1.00 0.00 N ATOM 0 H LYS A 43 6.248 2.602 10.030 1.00 0.00 H new ATOM 0 HA LYS A 43 6.490 0.688 7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.366 1.175 10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.724 0.201 8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.232 2.319 7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.309 3.180 9.028 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.488 3.394 8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.645 2.107 9.337 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.526 0.396 7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.143 1.600 6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.330 1.484 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.438 2.571 7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.698 0.913 7.554 1.00 0.00 H new ATOM 744 N LEU A 44 6.305 -1.512 8.983 1.00 0.00 N ATOM 745 CA LEU A 44 6.075 -2.816 9.494 1.00 0.00 C ATOM 746 C LEU A 44 7.332 -3.289 10.204 1.00 0.00 C ATOM 747 O LEU A 44 8.443 -2.909 9.823 1.00 0.00 O ATOM 748 CB LEU A 44 5.671 -3.756 8.364 1.00 0.00 C ATOM 749 CG LEU A 44 4.321 -3.455 7.707 1.00 0.00 C ATOM 750 CD1 LEU A 44 4.051 -4.403 6.563 1.00 0.00 C ATOM 751 CD2 LEU A 44 3.209 -3.561 8.720 1.00 0.00 C ATOM 0 H LEU A 44 6.501 -1.489 7.982 1.00 0.00 H new ATOM 0 HA LEU A 44 5.255 -2.806 10.212 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.444 -3.726 7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.647 -4.774 8.753 1.00 0.00 H new ATOM 0 HG LEU A 44 4.360 -2.438 7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.086 -4.167 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.835 -4.300 5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.037 -5.427 6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.256 -3.344 8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.186 -4.570 9.131 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.380 -2.845 9.524 1.00 0.00 H new ATOM 763 N ARG A 45 7.141 -4.109 11.209 1.00 0.00 N ATOM 764 CA ARG A 45 8.197 -4.549 12.106 1.00 0.00 C ATOM 765 C ARG A 45 9.286 -5.313 11.370 1.00 0.00 C ATOM 766 O ARG A 45 10.433 -4.864 11.282 1.00 0.00 O ATOM 767 CB ARG A 45 7.598 -5.448 13.175 1.00 0.00 C ATOM 768 CG ARG A 45 6.491 -4.814 13.983 1.00 0.00 C ATOM 769 CD ARG A 45 5.876 -5.833 14.906 1.00 0.00 C ATOM 770 NE ARG A 45 4.760 -5.291 15.673 1.00 0.00 N ATOM 771 CZ ARG A 45 3.835 -6.033 16.293 1.00 0.00 C ATOM 772 NH1 ARG A 45 3.868 -7.366 16.210 1.00 0.00 N ATOM 773 NH2 ARG A 45 2.888 -5.446 16.999 1.00 0.00 N ATOM 0 H ARG A 45 6.227 -4.502 11.436 1.00 0.00 H new ATOM 0 HA ARG A 45 8.650 -3.663 12.551 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.212 -6.349 12.698 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.391 -5.761 13.854 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.885 -3.979 14.562 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.730 -4.409 13.316 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.531 -6.686 14.322 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.638 -6.204 15.592 1.00 0.00 H new ATOM 0 HE ARG A 45 4.679 -4.277 15.741 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.602 -7.825 15.671 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.159 -7.924 16.686 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.862 -4.429 17.071 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.182 -6.009 17.473 1.00 0.00 H new ATOM 787 N GLY A 46 8.925 -6.450 10.838 1.00 0.00 N ATOM 788 CA GLY A 46 9.885 -7.280 10.174 1.00 0.00 C ATOM 789 C GLY A 46 9.590 -7.399 8.724 1.00 0.00 C ATOM 790 O GLY A 46 9.311 -8.486 8.233 1.00 0.00 O ATOM 0 H GLY A 46 7.974 -6.819 10.853 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.883 -6.864 10.310 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.887 -8.271 10.629 1.00 0.00 H new ATOM 794 N MET A 47 9.613 -6.287 8.038 1.00 0.00 N ATOM 795 CA MET A 47 9.337 -6.244 6.615 1.00 0.00 C ATOM 796 C MET A 47 10.274 -5.247 5.953 1.00 0.00 C ATOM 797 O MET A 47 10.558 -4.186 6.538 1.00 0.00 O ATOM 798 CB MET A 47 7.881 -5.837 6.347 1.00 0.00 C ATOM 799 CG MET A 47 6.817 -6.829 6.819 1.00 0.00 C ATOM 800 SD MET A 47 6.863 -8.412 5.950 1.00 0.00 S ATOM 801 CE MET A 47 6.488 -7.897 4.271 1.00 0.00 C ATOM 0 H MET A 47 9.824 -5.377 8.447 1.00 0.00 H new ATOM 0 HA MET A 47 9.495 -7.240 6.200 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.697 -4.878 6.830 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.758 -5.683 5.275 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.947 -7.007 7.887 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.832 -6.381 6.688 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.739 -8.564 3.845 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.103 -6.877 4.281 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.395 -7.937 3.667 1.00 0.00 H new ATOM 811 N PRO A 48 10.776 -5.563 4.747 1.00 0.00 N ATOM 812 CA PRO A 48 11.702 -4.691 4.013 1.00 0.00 C ATOM 813 C PRO A 48 11.031 -3.406 3.502 1.00 0.00 C ATOM 814 O PRO A 48 10.345 -3.414 2.462 1.00 0.00 O ATOM 815 CB PRO A 48 12.177 -5.565 2.847 1.00 0.00 C ATOM 816 CG PRO A 48 11.091 -6.567 2.648 1.00 0.00 C ATOM 817 CD PRO A 48 10.494 -6.812 4.003 1.00 0.00 C ATOM 0 HA PRO A 48 12.514 -4.339 4.649 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.335 -4.971 1.947 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.125 -6.051 3.079 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.339 -6.193 1.953 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.486 -7.490 2.224 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.423 -7.006 3.939 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.946 -7.677 4.488 1.00 0.00 H new ATOM 825 N ASP A 49 11.177 -2.330 4.296 1.00 0.00 N ATOM 826 CA ASP A 49 10.625 -0.988 4.008 1.00 0.00 C ATOM 827 C ASP A 49 9.173 -1.045 3.606 1.00 0.00 C ATOM 828 O ASP A 49 8.743 -0.393 2.654 1.00 0.00 O ATOM 829 CB ASP A 49 11.447 -0.203 2.964 1.00 0.00 C ATOM 830 CG ASP A 49 12.799 0.249 3.477 1.00 0.00 C ATOM 831 OD1 ASP A 49 12.857 1.025 4.466 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.834 -0.131 2.884 1.00 0.00 O ATOM 0 H ASP A 49 11.693 -2.367 5.175 1.00 0.00 H new ATOM 0 HA ASP A 49 10.697 -0.440 4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.592 -0.828 2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.877 0.670 2.646 1.00 0.00 H new ATOM 837 N CYS A 50 8.415 -1.816 4.327 1.00 0.00 N ATOM 838 CA CYS A 50 7.022 -1.942 4.040 1.00 0.00 C ATOM 839 C CYS A 50 6.241 -1.085 5.002 1.00 0.00 C ATOM 840 O CYS A 50 6.597 -0.979 6.187 1.00 0.00 O ATOM 841 CB CYS A 50 6.588 -3.394 4.121 1.00 0.00 C ATOM 842 SG CYS A 50 7.534 -4.509 3.052 1.00 0.00 S ATOM 0 H CYS A 50 8.741 -2.368 5.120 1.00 0.00 H new ATOM 0 HA CYS A 50 6.827 -1.601 3.023 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.680 -3.733 5.153 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.533 -3.462 3.856 1.00 0.00 H new ATOM 0 HG CYS A 50 8.651 -3.938 2.709 1.00 0.00 H new ATOM 848 N TYR A 51 5.206 -0.477 4.511 1.00 0.00 N ATOM 849 CA TYR A 51 4.408 0.430 5.287 1.00 0.00 C ATOM 850 C TYR A 51 2.962 0.066 5.124 1.00 0.00 C ATOM 851 O TYR A 51 2.578 -0.570 4.124 1.00 0.00 O ATOM 852 CB TYR A 51 4.608 1.891 4.829 1.00 0.00 C ATOM 853 CG TYR A 51 6.031 2.416 4.885 1.00 0.00 C ATOM 854 CD1 TYR A 51 6.985 2.009 3.968 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.411 3.326 5.842 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.273 2.484 4.014 1.00 0.00 C ATOM 857 CE2 TYR A 51 7.697 3.809 5.888 1.00 0.00 C ATOM 858 CZ TYR A 51 8.623 3.381 4.973 1.00 0.00 C ATOM 859 OH TYR A 51 9.913 3.852 5.030 1.00 0.00 O ATOM 0 H TYR A 51 4.885 -0.596 3.550 1.00 0.00 H new ATOM 0 HA TYR A 51 4.715 0.351 6.330 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.248 1.982 3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.980 2.534 5.446 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.710 1.302 3.199 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.688 3.667 6.569 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.003 2.147 3.293 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.978 4.526 6.645 1.00 0.00 H new ATOM 0 HH TYR A 51 10.299 3.859 4.129 1.00 0.00 H new ATOM 869 N LYS A 52 2.175 0.447 6.081 1.00 0.00 N ATOM 870 CA LYS A 52 0.767 0.193 6.054 1.00 0.00 C ATOM 871 C LYS A 52 -0.009 1.486 6.244 1.00 0.00 C ATOM 872 O LYS A 52 0.364 2.342 7.049 1.00 0.00 O ATOM 873 CB LYS A 52 0.390 -0.830 7.145 1.00 0.00 C ATOM 874 CG LYS A 52 0.903 -0.463 8.536 1.00 0.00 C ATOM 875 CD LYS A 52 0.513 -1.488 9.584 1.00 0.00 C ATOM 876 CE LYS A 52 1.227 -1.212 10.896 1.00 0.00 C ATOM 877 NZ LYS A 52 0.894 -2.208 11.936 1.00 0.00 N ATOM 0 H LYS A 52 2.494 0.948 6.911 1.00 0.00 H new ATOM 0 HA LYS A 52 0.505 -0.224 5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.695 -0.925 7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.787 -1.807 6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.989 -0.371 8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.508 0.512 8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.566 -1.465 9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.763 -2.489 9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.304 -1.212 10.728 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.959 -0.217 11.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.404 -1.978 12.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.130 -2.192 12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.173 -3.156 11.611 1.00 0.00 H new ATOM 891 N ILE A 53 -1.063 1.616 5.502 1.00 0.00 N ATOM 892 CA ILE A 53 -1.965 2.729 5.611 1.00 0.00 C ATOM 893 C ILE A 53 -3.264 2.199 6.152 1.00 0.00 C ATOM 894 O ILE A 53 -3.704 1.107 5.768 1.00 0.00 O ATOM 895 CB ILE A 53 -2.202 3.432 4.234 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.905 4.090 3.749 1.00 0.00 C ATOM 897 CG2 ILE A 53 -3.343 4.464 4.307 1.00 0.00 C ATOM 898 CD1 ILE A 53 -1.023 4.767 2.401 1.00 0.00 C ATOM 0 H ILE A 53 -1.330 0.939 4.787 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.535 3.481 6.273 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.503 2.669 3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.586 4.826 4.487 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.123 3.332 3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.475 4.930 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.267 3.965 4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.095 5.229 5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.064 5.207 2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.311 4.032 1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.780 5.550 2.452 1.00 0.00 H new ATOM 910 N LYS A 54 -3.855 2.928 7.040 1.00 0.00 N ATOM 911 CA LYS A 54 -5.069 2.524 7.656 1.00 0.00 C ATOM 912 C LYS A 54 -6.116 3.607 7.498 1.00 0.00 C ATOM 913 O LYS A 54 -5.896 4.766 7.862 1.00 0.00 O ATOM 914 CB LYS A 54 -4.879 2.123 9.151 1.00 0.00 C ATOM 915 CG LYS A 54 -4.314 3.211 10.065 1.00 0.00 C ATOM 916 CD LYS A 54 -2.822 3.455 9.873 1.00 0.00 C ATOM 917 CE LYS A 54 -2.409 4.695 10.620 1.00 0.00 C ATOM 918 NZ LYS A 54 -0.977 5.027 10.446 1.00 0.00 N ATOM 0 H LYS A 54 -3.502 3.830 7.360 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.415 1.625 7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.843 1.806 9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.217 1.258 9.194 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.852 4.141 9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.498 2.933 11.103 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.254 2.597 10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.596 3.566 8.813 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.015 5.535 10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.618 4.559 11.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.871 6.055 10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.445 4.719 11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.608 4.541 9.604 1.00 0.00 H new ATOM 932 N LEU A 55 -7.228 3.239 6.921 1.00 0.00 N ATOM 933 CA LEU A 55 -8.327 4.138 6.726 1.00 0.00 C ATOM 934 C LEU A 55 -9.108 4.164 8.041 1.00 0.00 C ATOM 935 O LEU A 55 -10.005 3.333 8.275 1.00 0.00 O ATOM 936 CB LEU A 55 -9.206 3.642 5.558 1.00 0.00 C ATOM 937 CG LEU A 55 -9.852 4.703 4.646 1.00 0.00 C ATOM 938 CD1 LEU A 55 -10.644 4.032 3.545 1.00 0.00 C ATOM 939 CD2 LEU A 55 -10.739 5.672 5.409 1.00 0.00 C ATOM 0 H LEU A 55 -7.396 2.296 6.570 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.990 5.142 6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.596 2.989 4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.004 3.029 5.976 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.039 5.287 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.096 4.792 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.980 3.406 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.427 3.415 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.167 6.396 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.542 5.121 5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.146 6.194 6.159 1.00 0.00 H new ATOM 951 N ARG A 56 -8.728 5.105 8.886 1.00 0.00 N ATOM 952 CA ARG A 56 -9.202 5.264 10.278 1.00 0.00 C ATOM 953 C ARG A 56 -10.700 5.550 10.377 1.00 0.00 C ATOM 954 O ARG A 56 -11.263 5.582 11.476 1.00 0.00 O ATOM 955 CB ARG A 56 -8.417 6.409 10.942 1.00 0.00 C ATOM 956 CG ARG A 56 -6.910 6.174 11.027 1.00 0.00 C ATOM 957 CD ARG A 56 -6.540 5.170 12.111 1.00 0.00 C ATOM 958 NE ARG A 56 -6.768 5.726 13.449 1.00 0.00 N ATOM 959 CZ ARG A 56 -6.379 5.179 14.606 1.00 0.00 C ATOM 960 NH1 ARG A 56 -5.767 3.999 14.636 1.00 0.00 N ATOM 961 NH2 ARG A 56 -6.590 5.836 15.739 1.00 0.00 N ATOM 0 H ARG A 56 -8.050 5.820 8.623 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.030 4.317 10.789 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.598 7.328 10.385 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.806 6.564 11.948 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.546 5.816 10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.408 7.121 11.226 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.130 4.262 11.986 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.493 4.887 12.006 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.270 6.612 13.502 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.587 3.496 13.767 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.477 3.597 15.528 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.045 6.749 15.722 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.297 5.428 16.627 1.00 0.00 H new ATOM 975 N SER A 57 -11.318 5.788 9.266 1.00 0.00 N ATOM 976 CA SER A 57 -12.720 6.088 9.223 1.00 0.00 C ATOM 977 C SER A 57 -13.557 4.855 8.822 1.00 0.00 C ATOM 978 O SER A 57 -14.776 4.835 9.010 1.00 0.00 O ATOM 979 CB SER A 57 -12.919 7.219 8.227 1.00 0.00 C ATOM 980 OG SER A 57 -12.023 8.287 8.516 1.00 0.00 O ATOM 0 H SER A 57 -10.864 5.781 8.353 1.00 0.00 H new ATOM 0 HA SER A 57 -13.061 6.384 10.215 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.750 6.856 7.213 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.948 7.575 8.270 1.00 0.00 H new ATOM 0 HG SER A 57 -12.157 9.010 7.869 1.00 0.00 H new ATOM 986 N SER A 58 -12.912 3.812 8.326 1.00 0.00 N ATOM 987 CA SER A 58 -13.668 2.689 7.822 1.00 0.00 C ATOM 988 C SER A 58 -13.115 1.330 8.290 1.00 0.00 C ATOM 989 O SER A 58 -13.888 0.411 8.576 1.00 0.00 O ATOM 990 CB SER A 58 -13.755 2.767 6.286 1.00 0.00 C ATOM 991 OG SER A 58 -14.610 1.768 5.762 1.00 0.00 O ATOM 0 H SER A 58 -11.898 3.723 8.264 1.00 0.00 H new ATOM 0 HA SER A 58 -14.672 2.755 8.241 1.00 0.00 H new ATOM 0 HB2 SER A 58 -14.120 3.751 5.991 1.00 0.00 H new ATOM 0 HB3 SER A 58 -12.759 2.655 5.858 1.00 0.00 H new ATOM 0 HG SER A 58 -14.109 1.202 5.138 1.00 0.00 H new ATOM 997 N GLY A 59 -11.809 1.202 8.405 1.00 0.00 N ATOM 998 CA GLY A 59 -11.251 -0.078 8.786 1.00 0.00 C ATOM 999 C GLY A 59 -10.672 -0.821 7.599 1.00 0.00 C ATOM 1000 O GLY A 59 -10.681 -2.067 7.552 1.00 0.00 O ATOM 0 H GLY A 59 -11.130 1.946 8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.472 0.074 9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.026 -0.687 9.252 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.219 -0.069 6.625 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.536 -0.614 5.470 1.00 0.00 C ATOM 1006 C TYR A 60 -8.066 -0.332 5.601 1.00 0.00 C ATOM 1007 O TYR A 60 -7.681 0.683 6.175 1.00 0.00 O ATOM 1008 CB TYR A 60 -10.074 -0.045 4.160 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.398 -0.629 3.723 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.600 -0.138 4.203 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.438 -1.668 2.804 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.806 -0.664 3.779 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.635 -2.200 2.380 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.815 -1.692 2.869 1.00 0.00 C ATOM 1015 OH TYR A 60 -15.011 -2.220 2.440 1.00 0.00 O ATOM 0 H TYR A 60 -10.313 0.947 6.609 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.713 -1.689 5.440 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.184 1.034 4.265 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.338 -0.216 3.374 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.595 0.669 4.920 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.513 -2.067 2.414 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.736 -0.269 4.161 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.647 -3.012 1.668 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.839 -2.939 1.796 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.252 -1.227 5.119 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.821 -1.118 5.254 1.00 0.00 C ATOM 1027 C ARG A 61 -5.148 -1.440 3.935 1.00 0.00 C ATOM 1028 O ARG A 61 -5.643 -2.261 3.161 1.00 0.00 O ATOM 1029 CB ARG A 61 -5.359 -2.084 6.337 1.00 0.00 C ATOM 1030 CG ARG A 61 -6.018 -1.816 7.676 1.00 0.00 C ATOM 1031 CD ARG A 61 -5.833 -2.952 8.627 1.00 0.00 C ATOM 1032 NE ARG A 61 -4.433 -3.146 9.016 1.00 0.00 N ATOM 1033 CZ ARG A 61 -4.028 -3.697 10.170 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -4.906 -4.079 11.093 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -2.749 -3.887 10.382 1.00 0.00 N ATOM 0 H ARG A 61 -7.561 -2.060 4.617 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.550 -0.100 5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.579 -3.105 6.026 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.277 -2.010 6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.600 -0.908 8.110 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.083 -1.638 7.527 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.432 -2.773 9.520 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.208 -3.867 8.170 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.714 -2.839 8.361 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.905 -3.955 10.929 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.580 -4.496 11.965 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.069 -3.616 9.672 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.434 -4.305 11.257 1.00 0.00 H new ATOM 1049 N LEU A 62 -4.050 -0.800 3.685 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.299 -0.989 2.470 1.00 0.00 C ATOM 1051 C LEU A 62 -1.836 -1.200 2.855 1.00 0.00 C ATOM 1052 O LEU A 62 -1.316 -0.474 3.699 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.515 0.258 1.560 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.921 0.252 0.134 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.585 1.331 -0.702 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.437 0.518 0.160 1.00 0.00 C ATOM 0 H LEU A 62 -3.638 -0.120 4.324 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.627 -1.862 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.589 0.418 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.107 1.123 2.083 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.100 -0.733 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.163 1.324 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.657 1.141 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.412 2.305 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.048 0.508 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.250 1.493 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.939 -0.254 0.747 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.192 -2.202 2.274 1.00 0.00 N ATOM 1069 CA VAL A 63 0.197 -2.510 2.597 1.00 0.00 C ATOM 1070 C VAL A 63 1.052 -2.443 1.332 1.00 0.00 C ATOM 1071 O VAL A 63 0.720 -3.061 0.296 1.00 0.00 O ATOM 1072 CB VAL A 63 0.346 -3.917 3.262 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.801 -4.203 3.629 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.538 -4.032 4.501 1.00 0.00 C ATOM 0 H VAL A 63 -1.608 -2.817 1.575 1.00 0.00 H new ATOM 0 HA VAL A 63 0.540 -1.766 3.316 1.00 0.00 H new ATOM 0 HB VAL A 63 0.022 -4.659 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.873 -5.188 4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.415 -4.177 2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.154 -3.448 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.416 -5.020 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.250 -3.271 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.581 -3.888 4.219 1.00 0.00 H new ATOM 1084 N TYR A 64 2.128 -1.707 1.405 1.00 0.00 N ATOM 1085 CA TYR A 64 3.009 -1.524 0.278 1.00 0.00 C ATOM 1086 C TYR A 64 4.451 -1.570 0.715 1.00 0.00 C ATOM 1087 O TYR A 64 4.751 -1.364 1.895 1.00 0.00 O ATOM 1088 CB TYR A 64 2.715 -0.195 -0.451 1.00 0.00 C ATOM 1089 CG TYR A 64 2.821 1.062 0.392 1.00 0.00 C ATOM 1090 CD1 TYR A 64 4.047 1.577 0.791 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.690 1.735 0.772 1.00 0.00 C ATOM 1092 CE1 TYR A 64 4.123 2.722 1.544 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.757 2.874 1.520 1.00 0.00 C ATOM 1094 CZ TYR A 64 2.974 3.366 1.905 1.00 0.00 C ATOM 1095 OH TYR A 64 3.040 4.501 2.661 1.00 0.00 O ATOM 0 H TYR A 64 2.421 -1.215 2.249 1.00 0.00 H new ATOM 0 HA TYR A 64 2.828 -2.342 -0.419 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.403 -0.104 -1.291 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.709 -0.246 -0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.956 1.068 0.504 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.724 1.356 0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.084 3.111 1.849 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.851 3.386 1.808 1.00 0.00 H new ATOM 0 HH TYR A 64 3.876 4.974 2.469 1.00 0.00 H new ATOM 1105 N GLN A 65 5.332 -1.843 -0.205 1.00 0.00 N ATOM 1106 CA GLN A 65 6.733 -1.799 0.080 1.00 0.00 C ATOM 1107 C GLN A 65 7.328 -0.606 -0.658 1.00 0.00 C ATOM 1108 O GLN A 65 6.933 -0.306 -1.794 1.00 0.00 O ATOM 1109 CB GLN A 65 7.458 -3.103 -0.312 1.00 0.00 C ATOM 1110 CG GLN A 65 7.593 -3.346 -1.806 1.00 0.00 C ATOM 1111 CD GLN A 65 8.448 -4.552 -2.118 1.00 0.00 C ATOM 1112 OE1 GLN A 65 7.956 -5.668 -2.302 1.00 0.00 O ATOM 1113 NE2 GLN A 65 9.741 -4.350 -2.117 1.00 0.00 N ATOM 0 H GLN A 65 5.100 -2.100 -1.164 1.00 0.00 H new ATOM 0 HA GLN A 65 6.870 -1.692 1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.455 -3.092 0.129 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.923 -3.944 0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.603 -3.484 -2.240 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.027 -2.464 -2.277 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.111 -3.412 -1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.379 -5.130 -2.272 1.00 0.00 H new ATOM 1122 N VAL A 66 8.204 0.101 -0.025 1.00 0.00 N ATOM 1123 CA VAL A 66 8.847 1.218 -0.660 1.00 0.00 C ATOM 1124 C VAL A 66 10.235 0.818 -1.060 1.00 0.00 C ATOM 1125 O VAL A 66 11.085 0.556 -0.214 1.00 0.00 O ATOM 1126 CB VAL A 66 8.906 2.478 0.253 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.650 3.626 -0.430 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.512 2.921 0.627 1.00 0.00 C ATOM 0 H VAL A 66 8.497 -0.071 0.937 1.00 0.00 H new ATOM 0 HA VAL A 66 8.254 1.488 -1.534 1.00 0.00 H new ATOM 0 HB VAL A 66 9.452 2.208 1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.673 4.490 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.670 3.315 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.138 3.892 -1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.569 3.803 1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.952 3.163 -0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.006 2.118 1.163 1.00 0.00 H new ATOM 1138 N ILE A 67 10.464 0.735 -2.327 1.00 0.00 N ATOM 1139 CA ILE A 67 11.761 0.425 -2.811 1.00 0.00 C ATOM 1140 C ILE A 67 12.411 1.752 -3.096 1.00 0.00 C ATOM 1141 O ILE A 67 12.222 2.335 -4.174 1.00 0.00 O ATOM 1142 CB ILE A 67 11.702 -0.413 -4.113 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.753 -1.608 -3.930 1.00 0.00 C ATOM 1144 CG2 ILE A 67 13.104 -0.909 -4.468 1.00 0.00 C ATOM 1145 CD1 ILE A 67 10.491 -2.399 -5.197 1.00 0.00 C ATOM 0 H ILE A 67 9.760 0.880 -3.051 1.00 0.00 H new ATOM 0 HA ILE A 67 12.313 -0.168 -2.081 1.00 0.00 H new ATOM 0 HB ILE A 67 11.326 0.212 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 67 11.172 -2.277 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.802 -1.245 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.060 -1.498 -5.384 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.765 -0.055 -4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.487 -1.528 -3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.812 -3.223 -4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.041 -1.748 -5.946 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.432 -2.796 -5.579 1.00 0.00 H new ATOM 1157 N ASP A 68 13.155 2.243 -2.136 1.00 0.00 N ATOM 1158 CA ASP A 68 13.740 3.580 -2.232 1.00 0.00 C ATOM 1159 C ASP A 68 14.811 3.600 -3.284 1.00 0.00 C ATOM 1160 O ASP A 68 14.957 4.564 -4.020 1.00 0.00 O ATOM 1161 CB ASP A 68 14.309 4.023 -0.894 1.00 0.00 C ATOM 1162 CG ASP A 68 14.760 5.464 -0.920 1.00 0.00 C ATOM 1163 OD1 ASP A 68 15.900 5.747 -1.299 1.00 0.00 O ATOM 1164 OD2 ASP A 68 13.968 6.344 -0.539 1.00 0.00 O ATOM 0 H ASP A 68 13.377 1.745 -1.274 1.00 0.00 H new ATOM 0 HA ASP A 68 12.952 4.278 -2.513 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.554 3.893 -0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.151 3.384 -0.629 1.00 0.00 H new ATOM 1169 N GLU A 69 15.493 2.479 -3.388 1.00 0.00 N ATOM 1170 CA GLU A 69 16.565 2.270 -4.341 1.00 0.00 C ATOM 1171 C GLU A 69 16.074 2.477 -5.781 1.00 0.00 C ATOM 1172 O GLU A 69 16.796 3.004 -6.621 1.00 0.00 O ATOM 1173 CB GLU A 69 17.111 0.861 -4.151 1.00 0.00 C ATOM 1174 CG GLU A 69 17.634 0.624 -2.744 1.00 0.00 C ATOM 1175 CD GLU A 69 18.025 -0.802 -2.479 1.00 0.00 C ATOM 1176 OE1 GLU A 69 19.140 -1.215 -2.855 1.00 0.00 O ATOM 1177 OE2 GLU A 69 17.225 -1.541 -1.880 1.00 0.00 O ATOM 0 H GLU A 69 15.313 1.667 -2.798 1.00 0.00 H new ATOM 0 HA GLU A 69 17.356 2.999 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 69 16.325 0.138 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.913 0.686 -4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.498 1.266 -2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.869 0.921 -2.026 1.00 0.00 H new ATOM 1184 N LYS A 70 14.833 2.090 -6.044 1.00 0.00 N ATOM 1185 CA LYS A 70 14.237 2.245 -7.375 1.00 0.00 C ATOM 1186 C LYS A 70 13.263 3.421 -7.385 1.00 0.00 C ATOM 1187 O LYS A 70 12.649 3.717 -8.416 1.00 0.00 O ATOM 1188 CB LYS A 70 13.486 0.978 -7.775 1.00 0.00 C ATOM 1189 CG LYS A 70 14.335 -0.271 -7.897 1.00 0.00 C ATOM 1190 CD LYS A 70 13.450 -1.466 -8.204 1.00 0.00 C ATOM 1191 CE LYS A 70 14.240 -2.754 -8.272 1.00 0.00 C ATOM 1192 NZ LYS A 70 13.360 -3.913 -8.463 1.00 0.00 N ATOM 0 H LYS A 70 14.213 1.665 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 70 15.042 2.429 -8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.702 0.794 -7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.992 1.155 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.076 -0.143 -8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.883 -0.441 -6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.680 -1.553 -7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.938 -1.304 -9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.956 -2.700 -9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.815 -2.879 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.932 -4.780 -8.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.693 -3.977 -7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.830 -3.804 -9.351 1.00 0.00 H new ATOM 1206 N VAL A 71 13.125 4.051 -6.210 1.00 0.00 N ATOM 1207 CA VAL A 71 12.237 5.200 -5.929 1.00 0.00 C ATOM 1208 C VAL A 71 10.766 4.898 -6.311 1.00 0.00 C ATOM 1209 O VAL A 71 10.011 5.752 -6.777 1.00 0.00 O ATOM 1210 CB VAL A 71 12.794 6.597 -6.478 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.802 6.735 -7.993 1.00 0.00 C ATOM 1212 CG2 VAL A 71 12.109 7.791 -5.818 1.00 0.00 C ATOM 0 H VAL A 71 13.653 3.763 -5.386 1.00 0.00 H new ATOM 0 HA VAL A 71 12.238 5.338 -4.848 1.00 0.00 H new ATOM 0 HB VAL A 71 13.844 6.597 -6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.196 7.714 -8.267 1.00 0.00 H new ATOM 0 HG12 VAL A 71 13.430 5.957 -8.426 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.785 6.634 -8.373 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.520 8.716 -6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.038 7.752 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.279 7.759 -4.742 1.00 0.00 H new ATOM 1222 N VAL A 72 10.350 3.683 -6.017 1.00 0.00 N ATOM 1223 CA VAL A 72 9.006 3.247 -6.323 1.00 0.00 C ATOM 1224 C VAL A 72 8.336 2.641 -5.087 1.00 0.00 C ATOM 1225 O VAL A 72 8.963 1.926 -4.295 1.00 0.00 O ATOM 1226 CB VAL A 72 8.979 2.234 -7.535 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.814 0.998 -7.253 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.552 1.827 -7.909 1.00 0.00 C ATOM 0 H VAL A 72 10.929 2.977 -5.563 1.00 0.00 H new ATOM 0 HA VAL A 72 8.438 4.127 -6.624 1.00 0.00 H new ATOM 0 HB VAL A 72 9.417 2.760 -8.384 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.770 0.326 -8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.849 1.291 -7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.424 0.489 -6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.580 1.130 -8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.074 1.348 -7.054 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.984 2.713 -8.193 1.00 0.00 H new ATOM 1238 N VAL A 73 7.098 2.977 -4.917 1.00 0.00 N ATOM 1239 CA VAL A 73 6.261 2.466 -3.884 1.00 0.00 C ATOM 1240 C VAL A 73 5.363 1.425 -4.527 1.00 0.00 C ATOM 1241 O VAL A 73 4.556 1.746 -5.410 1.00 0.00 O ATOM 1242 CB VAL A 73 5.402 3.600 -3.271 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.484 3.072 -2.193 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.281 4.713 -2.723 1.00 0.00 C ATOM 0 H VAL A 73 6.623 3.646 -5.523 1.00 0.00 H new ATOM 0 HA VAL A 73 6.857 2.034 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 73 4.784 4.011 -4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.895 3.892 -1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.816 2.323 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.078 2.619 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.653 5.497 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.935 4.312 -1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.886 5.129 -3.529 1.00 0.00 H new ATOM 1254 N PHE A 74 5.518 0.208 -4.122 1.00 0.00 N ATOM 1255 CA PHE A 74 4.820 -0.886 -4.730 1.00 0.00 C ATOM 1256 C PHE A 74 3.775 -1.442 -3.775 1.00 0.00 C ATOM 1257 O PHE A 74 4.119 -2.004 -2.726 1.00 0.00 O ATOM 1258 CB PHE A 74 5.837 -1.967 -5.126 1.00 0.00 C ATOM 1259 CG PHE A 74 5.257 -3.149 -5.839 1.00 0.00 C ATOM 1260 CD1 PHE A 74 5.110 -3.137 -7.211 1.00 0.00 C ATOM 1261 CD2 PHE A 74 4.873 -4.276 -5.139 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.587 -4.228 -7.872 1.00 0.00 C ATOM 1263 CE2 PHE A 74 4.349 -5.363 -5.787 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.204 -5.344 -7.159 1.00 0.00 C ATOM 0 H PHE A 74 6.135 -0.061 -3.356 1.00 0.00 H new ATOM 0 HA PHE A 74 4.300 -0.542 -5.624 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.597 -1.514 -5.763 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.343 -2.317 -4.226 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.408 -2.264 -7.773 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.988 -4.301 -4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.478 -4.208 -8.946 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.049 -6.235 -5.224 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.792 -6.200 -7.672 1.00 0.00 H new ATOM 1274 N VAL A 75 2.518 -1.264 -4.115 1.00 0.00 N ATOM 1275 CA VAL A 75 1.424 -1.778 -3.317 1.00 0.00 C ATOM 1276 C VAL A 75 1.290 -3.268 -3.565 1.00 0.00 C ATOM 1277 O VAL A 75 1.085 -3.703 -4.705 1.00 0.00 O ATOM 1278 CB VAL A 75 0.084 -1.059 -3.641 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.061 -1.616 -2.800 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.217 0.448 -3.434 1.00 0.00 C ATOM 0 H VAL A 75 2.224 -0.760 -4.951 1.00 0.00 H new ATOM 0 HA VAL A 75 1.646 -1.590 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.149 -1.246 -4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.984 -1.093 -3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.180 -2.680 -3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.838 -1.474 -1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.732 0.932 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.484 0.651 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.994 0.838 -4.091 1.00 0.00 H new ATOM 1290 N ILE A 76 1.404 -4.041 -2.510 1.00 0.00 N ATOM 1291 CA ILE A 76 1.376 -5.483 -2.629 1.00 0.00 C ATOM 1292 C ILE A 76 -0.038 -5.998 -2.417 1.00 0.00 C ATOM 1293 O ILE A 76 -0.509 -6.879 -3.136 1.00 0.00 O ATOM 1294 CB ILE A 76 2.320 -6.149 -1.581 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.728 -5.536 -1.664 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.391 -7.674 -1.803 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.684 -6.040 -0.604 1.00 0.00 C ATOM 0 H ILE A 76 1.517 -3.696 -1.557 1.00 0.00 H new ATOM 0 HA ILE A 76 1.719 -5.741 -3.631 1.00 0.00 H new ATOM 0 HB ILE A 76 1.913 -5.963 -0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.148 -5.748 -2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.647 -4.452 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.055 -8.119 -1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.394 -8.103 -1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.774 -7.879 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.654 -5.560 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.289 -5.804 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.798 -7.120 -0.701 1.00 0.00 H new ATOM 1309 N SER A 77 -0.719 -5.448 -1.439 1.00 0.00 N ATOM 1310 CA SER A 77 -2.049 -5.890 -1.097 1.00 0.00 C ATOM 1311 C SER A 77 -2.849 -4.732 -0.503 1.00 0.00 C ATOM 1312 O SER A 77 -2.277 -3.835 0.144 1.00 0.00 O ATOM 1313 CB SER A 77 -1.947 -7.061 -0.109 1.00 0.00 C ATOM 1314 OG SER A 77 -1.237 -8.144 -0.687 1.00 0.00 O ATOM 0 H SER A 77 -0.368 -4.685 -0.861 1.00 0.00 H new ATOM 0 HA SER A 77 -2.572 -6.229 -1.991 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.443 -6.733 0.800 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.946 -7.387 0.180 1.00 0.00 H new ATOM 0 HG SER A 77 -1.181 -8.880 -0.042 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.148 -4.730 -0.732 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.007 -3.663 -0.259 1.00 0.00 C ATOM 1322 C VAL A 78 -6.381 -4.216 0.111 1.00 0.00 C ATOM 1323 O VAL A 78 -6.866 -5.142 -0.522 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.145 -2.527 -1.336 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.680 -3.061 -2.652 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -6.022 -1.387 -0.840 1.00 0.00 C ATOM 0 H VAL A 78 -4.635 -5.463 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.550 -3.229 0.630 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.141 -2.139 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.761 -2.245 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.000 -3.820 -3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.664 -3.503 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.094 -0.621 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.018 -1.767 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.583 -0.956 0.060 1.00 0.00 H new ATOM 1336 N GLY A 79 -6.958 -3.711 1.175 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.284 -4.094 1.528 1.00 0.00 C ATOM 1338 C GLY A 79 -8.441 -4.118 3.001 1.00 0.00 C ATOM 1339 O GLY A 79 -8.627 -3.086 3.632 1.00 0.00 O ATOM 0 H GLY A 79 -6.523 -3.036 1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.999 -3.397 1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.507 -5.078 1.116 1.00 0.00 H new ATOM 1343 N LYS A 80 -8.326 -5.263 3.560 1.00 0.00 N ATOM 1344 CA LYS A 80 -8.446 -5.441 4.972 1.00 0.00 C ATOM 1345 C LYS A 80 -7.392 -6.379 5.448 1.00 0.00 C ATOM 1346 O LYS A 80 -7.028 -7.313 4.739 1.00 0.00 O ATOM 1347 CB LYS A 80 -9.836 -5.971 5.344 1.00 0.00 C ATOM 1348 CG LYS A 80 -10.932 -4.920 5.325 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.283 -5.530 5.616 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.319 -4.466 5.915 1.00 0.00 C ATOM 1351 NZ LYS A 80 -13.035 -3.761 7.194 1.00 0.00 N ATOM 0 H LYS A 80 -8.142 -6.125 3.047 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.316 -4.473 5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.104 -6.771 4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.789 -6.412 6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.712 -4.149 6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.953 -4.432 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.607 -6.125 4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.202 -6.209 6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.343 -3.743 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.307 -4.924 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.873 -3.217 7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.802 -4.458 7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.231 -3.114 7.063 1.00 0.00 H new ATOM 1365 N ALA A 81 -6.878 -6.138 6.617 1.00 0.00 N ATOM 1366 CA ALA A 81 -5.921 -7.032 7.189 1.00 0.00 C ATOM 1367 C ALA A 81 -6.659 -7.968 8.091 1.00 0.00 C ATOM 1368 O ALA A 81 -6.727 -7.777 9.312 1.00 0.00 O ATOM 1369 CB ALA A 81 -4.814 -6.302 7.920 1.00 0.00 C ATOM 0 H ALA A 81 -7.107 -5.328 7.193 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.421 -7.589 6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.114 -7.026 8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.289 -5.647 7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.242 -5.706 8.726 1.00 0.00 H new ATOM 1375 N GLU A 82 -7.291 -8.917 7.480 1.00 0.00 N ATOM 1376 CA GLU A 82 -8.108 -9.825 8.172 1.00 0.00 C ATOM 1377 C GLU A 82 -7.307 -11.074 8.427 1.00 0.00 C ATOM 1378 O GLU A 82 -7.004 -11.841 7.491 1.00 0.00 O ATOM 1379 CB GLU A 82 -9.368 -10.109 7.362 1.00 0.00 C ATOM 1380 CG GLU A 82 -10.520 -10.574 8.213 1.00 0.00 C ATOM 1381 CD GLU A 82 -10.844 -9.553 9.276 1.00 0.00 C ATOM 1382 OE1 GLU A 82 -11.599 -8.594 8.998 1.00 0.00 O ATOM 1383 OE2 GLU A 82 -10.334 -9.683 10.412 1.00 0.00 O ATOM 0 H GLU A 82 -7.245 -9.075 6.473 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.430 -9.412 9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.660 -9.206 6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.148 -10.868 6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.396 -10.745 7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.272 -11.527 8.681 1.00 0.00 H new ATOM 1390 N ALA A 83 -6.922 -11.230 9.677 1.00 0.00 N ATOM 1391 CA ALA A 83 -6.066 -12.295 10.155 1.00 0.00 C ATOM 1392 C ALA A 83 -4.619 -12.083 9.706 1.00 0.00 C ATOM 1393 O ALA A 83 -3.846 -11.442 10.420 1.00 0.00 O ATOM 1394 CB ALA A 83 -6.596 -13.705 9.840 1.00 0.00 C ATOM 0 H ALA A 83 -7.209 -10.591 10.418 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.079 -12.240 11.244 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.902 -14.450 10.229 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.572 -13.840 10.307 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.691 -13.825 8.761 1.00 0.00 H new ATOM 1400 N SER A 84 -4.234 -12.561 8.530 1.00 0.00 N ATOM 1401 CA SER A 84 -2.843 -12.392 8.105 1.00 0.00 C ATOM 1402 C SER A 84 -2.645 -12.369 6.577 1.00 0.00 C ATOM 1403 O SER A 84 -1.510 -12.280 6.138 1.00 0.00 O ATOM 1404 CB SER A 84 -1.969 -13.519 8.698 1.00 0.00 C ATOM 1405 OG SER A 84 -2.045 -13.557 10.129 1.00 0.00 O ATOM 0 H SER A 84 -4.837 -13.053 7.871 1.00 0.00 H new ATOM 0 HA SER A 84 -2.542 -11.414 8.479 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.289 -14.479 8.292 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.933 -13.373 8.393 1.00 0.00 H new ATOM 0 HG SER A 84 -1.481 -14.283 10.467 1.00 0.00 H new ATOM 1411 N GLU A 85 -3.722 -12.352 5.776 1.00 0.00 N ATOM 1412 CA GLU A 85 -3.569 -12.525 4.309 1.00 0.00 C ATOM 1413 C GLU A 85 -2.653 -11.477 3.665 1.00 0.00 C ATOM 1414 O GLU A 85 -1.715 -11.841 2.971 1.00 0.00 O ATOM 1415 CB GLU A 85 -4.922 -12.578 3.585 1.00 0.00 C ATOM 1416 CG GLU A 85 -4.811 -12.850 2.086 1.00 0.00 C ATOM 1417 CD GLU A 85 -6.143 -12.835 1.386 1.00 0.00 C ATOM 1418 OE1 GLU A 85 -6.879 -13.850 1.449 1.00 0.00 O ATOM 1419 OE2 GLU A 85 -6.486 -11.811 0.745 1.00 0.00 O ATOM 0 H GLU A 85 -4.682 -12.225 6.098 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.080 -13.492 4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.537 -13.354 4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.441 -11.631 3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.160 -12.101 1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.337 -13.819 1.932 1.00 0.00 H new ATOM 1426 N VAL A 86 -2.887 -10.202 3.940 1.00 0.00 N ATOM 1427 CA VAL A 86 -2.067 -9.131 3.343 1.00 0.00 C ATOM 1428 C VAL A 86 -0.587 -9.210 3.769 1.00 0.00 C ATOM 1429 O VAL A 86 0.306 -8.848 3.009 1.00 0.00 O ATOM 1430 CB VAL A 86 -2.622 -7.700 3.629 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -3.982 -7.500 2.980 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -2.702 -7.421 5.125 1.00 0.00 C ATOM 0 H VAL A 86 -3.626 -9.876 4.563 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.127 -9.304 2.269 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.923 -6.989 3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.344 -6.495 3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.893 -7.630 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.686 -8.232 3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.092 -6.416 5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.364 -8.148 5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.707 -7.499 5.563 1.00 0.00 H new ATOM 1442 N TYR A 87 -0.335 -9.718 4.961 1.00 0.00 N ATOM 1443 CA TYR A 87 1.021 -9.791 5.456 1.00 0.00 C ATOM 1444 C TYR A 87 1.707 -11.041 4.992 1.00 0.00 C ATOM 1445 O TYR A 87 2.848 -10.994 4.557 1.00 0.00 O ATOM 1446 CB TYR A 87 1.087 -9.663 6.973 1.00 0.00 C ATOM 1447 CG TYR A 87 0.623 -8.324 7.477 1.00 0.00 C ATOM 1448 CD1 TYR A 87 1.232 -7.160 7.033 1.00 0.00 C ATOM 1449 CD2 TYR A 87 -0.406 -8.215 8.400 1.00 0.00 C ATOM 1450 CE1 TYR A 87 0.832 -5.931 7.487 1.00 0.00 C ATOM 1451 CE2 TYR A 87 -0.815 -6.978 8.859 1.00 0.00 C ATOM 1452 CZ TYR A 87 -0.187 -5.840 8.393 1.00 0.00 C ATOM 1453 OH TYR A 87 -0.568 -4.609 8.861 1.00 0.00 O ATOM 0 H TYR A 87 -1.045 -10.082 5.596 1.00 0.00 H new ATOM 0 HA TYR A 87 1.555 -8.938 5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.476 -10.445 7.424 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.113 -9.831 7.301 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.037 -7.224 6.316 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.893 -9.107 8.764 1.00 0.00 H new ATOM 0 HE1 TYR A 87 1.321 -5.036 7.130 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.619 -6.902 9.576 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.994 -4.102 8.139 1.00 0.00 H new ATOM 1463 N SER A 88 1.006 -12.149 5.056 1.00 0.00 N ATOM 1464 CA SER A 88 1.543 -13.413 4.638 1.00 0.00 C ATOM 1465 C SER A 88 1.774 -13.442 3.130 1.00 0.00 C ATOM 1466 O SER A 88 2.682 -14.131 2.650 1.00 0.00 O ATOM 1467 CB SER A 88 0.640 -14.538 5.112 1.00 0.00 C ATOM 1468 OG SER A 88 0.558 -14.519 6.537 1.00 0.00 O ATOM 0 H SER A 88 0.047 -12.194 5.400 1.00 0.00 H new ATOM 0 HA SER A 88 2.520 -13.557 5.098 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.354 -14.427 4.679 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.030 -15.498 4.773 1.00 0.00 H new ATOM 0 HG SER A 88 -0.027 -15.245 6.841 1.00 0.00 H new ATOM 1474 N GLU A 89 0.967 -12.683 2.396 1.00 0.00 N ATOM 1475 CA GLU A 89 1.136 -12.523 0.963 1.00 0.00 C ATOM 1476 C GLU A 89 2.496 -11.899 0.703 1.00 0.00 C ATOM 1477 O GLU A 89 3.299 -12.425 -0.058 1.00 0.00 O ATOM 1478 CB GLU A 89 0.035 -11.595 0.413 1.00 0.00 C ATOM 1479 CG GLU A 89 0.073 -11.360 -1.091 1.00 0.00 C ATOM 1480 CD GLU A 89 -0.237 -12.595 -1.888 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -1.416 -12.833 -2.199 1.00 0.00 O ATOM 1482 OE2 GLU A 89 0.679 -13.346 -2.235 1.00 0.00 O ATOM 0 H GLU A 89 0.179 -12.163 2.781 1.00 0.00 H new ATOM 0 HA GLU A 89 1.066 -13.493 0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.936 -12.016 0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.110 -10.631 0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.642 -10.579 -1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.060 -10.993 -1.371 1.00 0.00 H new ATOM 1489 N ALA A 90 2.758 -10.818 1.411 1.00 0.00 N ATOM 1490 CA ALA A 90 3.968 -10.050 1.258 1.00 0.00 C ATOM 1491 C ALA A 90 5.211 -10.768 1.814 1.00 0.00 C ATOM 1492 O ALA A 90 6.208 -10.924 1.107 1.00 0.00 O ATOM 1493 CB ALA A 90 3.797 -8.690 1.913 1.00 0.00 C ATOM 0 H ALA A 90 2.124 -10.447 2.118 1.00 0.00 H new ATOM 0 HA ALA A 90 4.140 -9.926 0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.714 -8.112 1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.970 -8.160 1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.584 -8.821 2.974 1.00 0.00 H new ATOM 1499 N VAL A 91 5.145 -11.237 3.054 1.00 0.00 N ATOM 1500 CA VAL A 91 6.323 -11.823 3.706 1.00 0.00 C ATOM 1501 C VAL A 91 6.779 -13.141 3.046 1.00 0.00 C ATOM 1502 O VAL A 91 7.980 -13.425 2.987 1.00 0.00 O ATOM 1503 CB VAL A 91 6.165 -11.966 5.257 1.00 0.00 C ATOM 1504 CG1 VAL A 91 5.093 -12.956 5.638 1.00 0.00 C ATOM 1505 CG2 VAL A 91 7.487 -12.306 5.925 1.00 0.00 C ATOM 0 H VAL A 91 4.302 -11.226 3.628 1.00 0.00 H new ATOM 0 HA VAL A 91 7.125 -11.102 3.549 1.00 0.00 H new ATOM 0 HB VAL A 91 5.844 -10.992 5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.024 -13.018 6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.136 -12.630 5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.343 -13.937 5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.338 -12.397 7.001 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.863 -13.250 5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.210 -11.515 5.725 1.00 0.00 H new ATOM 1515 N LYS A 92 5.840 -13.947 2.547 1.00 0.00 N ATOM 1516 CA LYS A 92 6.228 -15.145 1.799 1.00 0.00 C ATOM 1517 C LYS A 92 6.651 -14.800 0.375 1.00 0.00 C ATOM 1518 O LYS A 92 7.232 -15.630 -0.322 1.00 0.00 O ATOM 1519 CB LYS A 92 5.148 -16.251 1.750 1.00 0.00 C ATOM 1520 CG LYS A 92 5.020 -17.167 2.979 1.00 0.00 C ATOM 1521 CD LYS A 92 4.215 -16.574 4.124 1.00 0.00 C ATOM 1522 CE LYS A 92 3.966 -17.639 5.196 1.00 0.00 C ATOM 1523 NZ LYS A 92 3.017 -17.197 6.251 1.00 0.00 N ATOM 0 H LYS A 92 4.835 -13.800 2.642 1.00 0.00 H new ATOM 0 HA LYS A 92 7.072 -15.550 2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 92 4.183 -15.773 1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 92 5.347 -16.878 0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 92 4.556 -18.104 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.019 -17.410 3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.751 -15.729 4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.265 -16.192 3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.577 -18.540 4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.915 -17.908 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.981 -17.911 7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.336 -16.290 6.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.069 -17.081 5.839 1.00 0.00 H new ATOM 1537 N ARG A 93 6.356 -13.584 -0.057 1.00 0.00 N ATOM 1538 CA ARG A 93 6.628 -13.190 -1.423 1.00 0.00 C ATOM 1539 C ARG A 93 8.060 -12.729 -1.574 1.00 0.00 C ATOM 1540 O ARG A 93 8.750 -13.121 -2.529 1.00 0.00 O ATOM 1541 CB ARG A 93 5.694 -12.087 -1.849 1.00 0.00 C ATOM 1542 CG ARG A 93 5.644 -11.890 -3.328 1.00 0.00 C ATOM 1543 CD ARG A 93 4.707 -10.778 -3.681 1.00 0.00 C ATOM 1544 NE ARG A 93 4.373 -10.805 -5.090 1.00 0.00 N ATOM 1545 CZ ARG A 93 3.899 -9.783 -5.773 1.00 0.00 C ATOM 1546 NH1 ARG A 93 4.017 -8.542 -5.305 1.00 0.00 N ATOM 1547 NH2 ARG A 93 3.391 -9.987 -6.964 1.00 0.00 N ATOM 0 H ARG A 93 5.930 -12.858 0.519 1.00 0.00 H new ATOM 0 HA ARG A 93 6.470 -14.059 -2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.691 -12.310 -1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.005 -11.155 -1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.642 -11.665 -3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.321 -12.812 -3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.797 -10.863 -3.087 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.163 -9.820 -3.431 1.00 0.00 H new ATOM 0 HE ARG A 93 4.516 -11.682 -5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.478 -8.376 -4.410 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.647 -7.757 -5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.366 -10.930 -7.353 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.021 -9.203 -7.502 1.00 0.00 H new ATOM 1561 N ILE A 94 8.512 -11.891 -0.652 1.00 0.00 N ATOM 1562 CA ILE A 94 9.891 -11.448 -0.664 1.00 0.00 C ATOM 1563 C ILE A 94 10.749 -12.552 -0.066 1.00 0.00 C ATOM 1564 O ILE A 94 10.961 -12.620 1.144 1.00 0.00 O ATOM 1565 CB ILE A 94 10.155 -10.053 0.059 1.00 0.00 C ATOM 1566 CG1 ILE A 94 9.466 -8.864 -0.667 1.00 0.00 C ATOM 1567 CG2 ILE A 94 11.657 -9.762 0.166 1.00 0.00 C ATOM 1568 CD1 ILE A 94 7.957 -8.814 -0.569 1.00 0.00 C ATOM 0 H ILE A 94 7.946 -11.509 0.106 1.00 0.00 H new ATOM 0 HA ILE A 94 10.161 -11.258 -1.703 1.00 0.00 H new ATOM 0 HB ILE A 94 9.722 -10.146 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 94 9.868 -7.935 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 94 9.741 -8.899 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.807 -8.804 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 94 12.140 -10.550 0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 94 12.092 -9.725 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 94 7.586 -7.944 -1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.534 -9.720 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.663 -8.741 0.478 1.00 0.00 H new ATOM 1580 N LEU A 95 11.121 -13.466 -0.910 1.00 0.00 N ATOM 1581 CA LEU A 95 11.905 -14.596 -0.550 1.00 0.00 C ATOM 1582 C LEU A 95 12.530 -15.127 -1.821 1.00 0.00 C ATOM 1583 O LEU A 95 11.849 -15.850 -2.575 1.00 0.00 O ATOM 1584 CB LEU A 95 11.020 -15.672 0.118 1.00 0.00 C ATOM 1585 CG LEU A 95 11.740 -16.890 0.702 1.00 0.00 C ATOM 1586 CD1 LEU A 95 12.668 -16.477 1.838 1.00 0.00 C ATOM 1587 CD2 LEU A 95 10.728 -17.917 1.188 1.00 0.00 C ATOM 1588 OXT LEU A 95 13.686 -14.784 -2.110 1.00 0.00 O ATOM 0 H LEU A 95 10.876 -13.440 -1.900 1.00 0.00 H new ATOM 0 HA LEU A 95 12.678 -14.322 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.452 -15.197 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.298 -16.025 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 95 12.346 -17.341 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 95 13.169 -17.359 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.413 -15.776 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 95 12.087 -16.001 2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.253 -18.778 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 95 10.099 -17.472 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 95 10.106 -18.238 0.353 1.00 0.00 H new TER 1600 LEU A 95