USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 845 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD Set 1.1: A 76 SER OG : rot 51:sc= 0.873 USER MOD Set 1.2: A 400 HEM CMB :methyl 150:sc= -0.38 (180deg=-0.38) USER MOD Set 2.1: A 54 GLN : amide:sc= 1.11 K(o=1.5,f=-0.31) USER MOD Set 2.2: A 62 ASN : amide:sc= 0.438 K(o=1.5,f=0.3) USER MOD Set 3.1: A 26 THR OG1 : rot -17:sc= 0.962 USER MOD Set 3.2: A 38 THR OG1 : rot -67:sc= 1.15 USER MOD Set 4.1: A 13 THR OG1 : rot 67:sc= 0.41 USER MOD Set 4.2: A 85 HIS : no HE2:sc= -0.158 K(o=0.25,f=-3.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0256 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -126:sc= 1.25 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= -0.0283 (180deg=-0.298) USER MOD Single : A 20 HIS : no HE2:sc= 0.537 K(o=0.54,f=-1.7!) USER MOD Single : A 21 ASN : amide:sc= -0.444 K(o=-0.44,f=-3.5!) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.147 USER MOD Single : A 31 HIS : no HD1:sc= 0.0795 K(o=0.079,f=-5!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.18) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 106:sc= 0.929! USER MOD Single : A 69 SER OG : rot -81:sc= 1.19 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -41:sc= 0.719 USER MOD Single : A 90 SER OG : rot 49:sc= 1.23 USER MOD Single : A 91 LYS NZ :NH3+ -167:sc=-0.00806 (180deg=-0.125) USER MOD Single : A 93 SER OG : rot 180:sc= -0.973 USER MOD Single : A 94 LYS NZ :NH3+ -171:sc= 2.4 (180deg=2.2) USER MOD Single : A 96 MET CE :methyl 143:sc= -0.0622 (180deg=-1.24) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0591 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 400 HEM CMA :methyl -30:sc= -1.34 (180deg=-2.57!) USER MOD Single : A 400 HEM CMC :methyl -30:sc= -0.848 (180deg=-2.13) USER MOD Single : A 400 HEM CMD :methyl -30:sc= -0.789 (180deg=-2.22!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.144 -13.939 17.784 1.00 1.40 N ATOM 2 CA MET A 1 20.153 -13.907 18.881 1.00 1.19 C ATOM 3 C MET A 1 18.762 -13.605 18.336 1.00 1.07 C ATOM 4 O MET A 1 17.904 -14.485 18.296 1.00 1.47 O ATOM 5 CB MET A 1 20.550 -12.871 19.934 1.00 1.39 C ATOM 6 CG MET A 1 19.803 -13.021 21.247 1.00 1.77 C ATOM 7 SD MET A 1 20.431 -11.925 22.531 1.00 2.23 S ATOM 8 CE MET A 1 19.549 -12.539 23.965 1.00 2.70 C ATOM 0 H1 MET A 1 22.086 -14.146 18.173 1.00 1.40 H new ATOM 0 H2 MET A 1 20.882 -14.678 17.101 1.00 1.40 H new ATOM 0 H3 MET A 1 21.162 -13.016 17.306 1.00 1.40 H new ATOM 0 HA MET A 1 20.133 -14.889 19.354 1.00 1.19 H new ATOM 0 HB2 MET A 1 21.620 -12.950 20.124 1.00 1.39 H new ATOM 0 HB3 MET A 1 20.370 -11.873 19.535 1.00 1.39 H new ATOM 0 HG2 MET A 1 18.745 -12.815 21.084 1.00 1.77 H new ATOM 0 HG3 MET A 1 19.878 -14.054 21.587 1.00 1.77 H new ATOM 0 HE1 MET A 1 19.833 -11.959 24.843 1.00 2.70 H new ATOM 0 HE2 MET A 1 18.476 -12.445 23.800 1.00 2.70 H new ATOM 0 HE3 MET A 1 19.801 -13.587 24.126 1.00 2.70 H new ATOM 20 N ALA A 2 18.543 -12.370 17.897 1.00 0.86 N ATOM 21 CA ALA A 2 17.249 -11.978 17.356 1.00 0.87 C ATOM 22 C ALA A 2 17.368 -11.617 15.881 1.00 0.72 C ATOM 23 O ALA A 2 17.143 -10.471 15.488 1.00 0.87 O ATOM 24 CB ALA A 2 16.663 -10.818 18.149 1.00 1.10 C ATOM 0 H ALA A 2 19.242 -11.627 17.905 1.00 0.86 H new ATOM 0 HA ALA A 2 16.572 -12.827 17.444 1.00 0.87 H new ATOM 0 HB1 ALA A 2 15.696 -10.541 17.728 1.00 1.10 H new ATOM 0 HB2 ALA A 2 16.534 -11.117 19.189 1.00 1.10 H new ATOM 0 HB3 ALA A 2 17.339 -9.964 18.098 1.00 1.10 H new ATOM 30 N ALA A 3 17.729 -12.596 15.068 1.00 0.71 N ATOM 31 CA ALA A 3 17.869 -12.384 13.635 1.00 0.72 C ATOM 32 C ALA A 3 16.862 -13.236 12.875 1.00 0.70 C ATOM 33 O ALA A 3 16.682 -14.416 13.184 1.00 1.05 O ATOM 34 CB ALA A 3 19.286 -12.703 13.187 1.00 0.96 C ATOM 0 H ALA A 3 17.931 -13.547 15.376 1.00 0.71 H new ATOM 0 HA ALA A 3 17.669 -11.335 13.416 1.00 0.72 H new ATOM 0 HB1 ALA A 3 19.374 -12.539 12.113 1.00 0.96 H new ATOM 0 HB2 ALA A 3 19.988 -12.055 13.711 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.514 -13.744 13.415 1.00 0.96 H new ATOM 40 N GLN A 4 16.197 -12.641 11.894 1.00 0.66 N ATOM 41 CA GLN A 4 15.206 -13.358 11.105 1.00 0.68 C ATOM 42 C GLN A 4 15.097 -12.769 9.703 1.00 0.66 C ATOM 43 O GLN A 4 15.303 -11.572 9.499 1.00 0.81 O ATOM 44 CB GLN A 4 13.840 -13.326 11.804 1.00 0.83 C ATOM 45 CG GLN A 4 13.381 -11.927 12.192 1.00 0.97 C ATOM 46 CD GLN A 4 11.997 -11.916 12.812 1.00 1.33 C ATOM 47 OE1 GLN A 4 11.578 -12.886 13.444 1.00 1.79 O ATOM 48 NE2 GLN A 4 11.273 -10.823 12.632 1.00 1.63 N ATOM 0 H GLN A 4 16.326 -11.665 11.626 1.00 0.66 H new ATOM 0 HA GLN A 4 15.529 -14.395 11.015 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.095 -13.773 11.146 1.00 0.83 H new ATOM 0 HB3 GLN A 4 13.886 -13.945 12.700 1.00 0.83 H new ATOM 0 HG2 GLN A 4 14.094 -11.498 12.896 1.00 0.97 H new ATOM 0 HG3 GLN A 4 13.384 -11.290 11.308 1.00 0.97 H new ATOM 0 HE21 GLN A 4 11.655 -10.040 12.102 1.00 1.63 H new ATOM 0 HE22 GLN A 4 10.333 -10.764 13.023 1.00 1.63 H new ATOM 57 N SER A 5 14.804 -13.625 8.738 1.00 0.71 N ATOM 58 CA SER A 5 14.653 -13.210 7.353 1.00 0.76 C ATOM 59 C SER A 5 13.655 -14.125 6.655 1.00 0.73 C ATOM 60 O SER A 5 13.959 -15.284 6.375 1.00 1.11 O ATOM 61 CB SER A 5 16.002 -13.246 6.630 1.00 0.98 C ATOM 62 OG SER A 5 16.968 -12.459 7.310 1.00 1.18 O ATOM 0 H SER A 5 14.665 -14.624 8.892 1.00 0.71 H new ATOM 0 HA SER A 5 14.282 -12.186 7.328 1.00 0.76 H new ATOM 0 HB2 SER A 5 16.352 -14.276 6.559 1.00 0.98 H new ATOM 0 HB3 SER A 5 15.882 -12.879 5.611 1.00 0.98 H new ATOM 0 HG SER A 5 17.821 -12.500 6.829 1.00 1.18 H new ATOM 68 N ASP A 6 12.462 -13.609 6.392 1.00 0.62 N ATOM 69 CA ASP A 6 11.418 -14.393 5.744 1.00 0.68 C ATOM 70 C ASP A 6 10.751 -13.603 4.627 1.00 0.58 C ATOM 71 O ASP A 6 10.476 -12.406 4.770 1.00 0.80 O ATOM 72 CB ASP A 6 10.365 -14.817 6.771 1.00 0.89 C ATOM 73 CG ASP A 6 9.972 -16.275 6.639 1.00 1.54 C ATOM 74 OD1 ASP A 6 9.222 -16.618 5.700 1.00 1.98 O ATOM 75 OD2 ASP A 6 10.412 -17.089 7.480 1.00 2.18 O ATOM 0 H ASP A 6 12.193 -12.651 6.617 1.00 0.62 H new ATOM 0 HA ASP A 6 11.883 -15.278 5.311 1.00 0.68 H new ATOM 0 HB2 ASP A 6 10.750 -14.638 7.775 1.00 0.89 H new ATOM 0 HB3 ASP A 6 9.478 -14.194 6.654 1.00 0.89 H new ATOM 80 N LYS A 7 10.525 -14.270 3.509 1.00 0.54 N ATOM 81 CA LYS A 7 9.871 -13.662 2.362 1.00 0.58 C ATOM 82 C LYS A 7 8.568 -14.397 2.081 1.00 0.53 C ATOM 83 O LYS A 7 8.575 -15.531 1.604 1.00 0.85 O ATOM 84 CB LYS A 7 10.779 -13.708 1.127 1.00 0.81 C ATOM 85 CG LYS A 7 12.016 -12.831 1.240 1.00 1.05 C ATOM 86 CD LYS A 7 11.668 -11.356 1.132 1.00 1.24 C ATOM 87 CE LYS A 7 12.866 -10.479 1.458 1.00 1.58 C ATOM 88 NZ LYS A 7 12.488 -9.047 1.579 1.00 1.91 N ATOM 0 H LYS A 7 10.788 -15.246 3.370 1.00 0.54 H new ATOM 0 HA LYS A 7 9.662 -12.616 2.588 1.00 0.58 H new ATOM 0 HB2 LYS A 7 11.090 -14.738 0.955 1.00 0.81 H new ATOM 0 HB3 LYS A 7 10.205 -13.399 0.254 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.511 -13.020 2.193 1.00 1.05 H new ATOM 0 HG3 LYS A 7 12.724 -13.097 0.455 1.00 1.05 H new ATOM 0 HD2 LYS A 7 11.318 -11.136 0.124 1.00 1.24 H new ATOM 0 HD3 LYS A 7 10.849 -11.123 1.812 1.00 1.24 H new ATOM 0 HE2 LYS A 7 13.319 -10.815 2.391 1.00 1.58 H new ATOM 0 HE3 LYS A 7 13.620 -10.591 0.679 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 13.333 -8.483 1.802 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 12.079 -8.719 0.681 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 11.787 -8.936 2.339 1.00 1.91 H new ATOM 102 N ASP A 8 7.456 -13.767 2.411 1.00 0.50 N ATOM 103 CA ASP A 8 6.152 -14.375 2.198 1.00 0.54 C ATOM 104 C ASP A 8 5.228 -13.389 1.499 1.00 0.51 C ATOM 105 O ASP A 8 5.630 -12.267 1.192 1.00 0.83 O ATOM 106 CB ASP A 8 5.544 -14.821 3.534 1.00 0.75 C ATOM 107 CG ASP A 8 4.712 -16.083 3.402 1.00 1.00 C ATOM 108 OD1 ASP A 8 3.595 -16.010 2.848 1.00 1.44 O ATOM 109 OD2 ASP A 8 5.171 -17.154 3.856 1.00 1.72 O ATOM 0 H ASP A 8 7.427 -12.836 2.827 1.00 0.50 H new ATOM 0 HA ASP A 8 6.273 -15.254 1.565 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.344 -14.991 4.255 1.00 0.75 H new ATOM 0 HB3 ASP A 8 4.922 -14.019 3.932 1.00 0.75 H new ATOM 114 N VAL A 9 3.997 -13.809 1.254 1.00 0.39 N ATOM 115 CA VAL A 9 3.015 -12.966 0.588 1.00 0.35 C ATOM 116 C VAL A 9 1.595 -13.358 0.997 1.00 0.33 C ATOM 117 O VAL A 9 1.082 -14.411 0.610 1.00 0.44 O ATOM 118 CB VAL A 9 3.171 -13.025 -0.957 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.225 -14.466 -1.459 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.053 -12.255 -1.651 1.00 0.47 C ATOM 0 H VAL A 9 3.652 -14.735 1.508 1.00 0.39 H new ATOM 0 HA VAL A 9 3.196 -11.939 0.904 1.00 0.35 H new ATOM 0 HB VAL A 9 4.119 -12.549 -1.207 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.334 -14.470 -2.543 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.075 -14.977 -1.007 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.304 -14.981 -1.186 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.187 -12.313 -2.731 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.090 -12.689 -1.381 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.081 -11.211 -1.338 1.00 0.47 H new ATOM 130 N LYS A 10 0.969 -12.513 1.803 1.00 0.30 N ATOM 131 CA LYS A 10 -0.391 -12.765 2.260 1.00 0.34 C ATOM 132 C LYS A 10 -1.379 -12.023 1.372 1.00 0.34 C ATOM 133 O LYS A 10 -1.220 -10.833 1.113 1.00 0.48 O ATOM 134 CB LYS A 10 -0.559 -12.329 3.717 1.00 0.42 C ATOM 135 CG LYS A 10 -1.873 -12.772 4.341 1.00 0.93 C ATOM 136 CD LYS A 10 -1.934 -12.413 5.819 1.00 0.98 C ATOM 137 CE LYS A 10 -1.065 -13.336 6.662 1.00 1.27 C ATOM 138 NZ LYS A 10 -1.036 -12.921 8.088 1.00 1.97 N ATOM 0 H LYS A 10 1.380 -11.648 2.154 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.588 -13.835 2.198 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.266 -12.732 4.305 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -0.489 -11.243 3.772 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -2.704 -12.301 3.816 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -1.990 -13.849 4.221 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -1.608 -11.382 5.956 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -2.966 -12.470 6.164 1.00 0.98 H new ATOM 0 HE2 LYS A 10 -1.442 -14.356 6.589 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -0.050 -13.342 6.265 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 -0.434 -13.575 8.628 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -0.653 -11.957 8.161 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -2.001 -12.940 8.475 1.00 1.97 H new ATOM 152 N TYR A 11 -2.387 -12.728 0.893 1.00 0.34 N ATOM 153 CA TYR A 11 -3.386 -12.124 0.030 1.00 0.35 C ATOM 154 C TYR A 11 -4.520 -11.539 0.856 1.00 0.33 C ATOM 155 O TYR A 11 -5.389 -12.257 1.352 1.00 0.39 O ATOM 156 CB TYR A 11 -3.897 -13.148 -0.988 1.00 0.43 C ATOM 157 CG TYR A 11 -2.890 -13.430 -2.076 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.777 -14.223 -1.832 1.00 0.85 C ATOM 159 CD2 TYR A 11 -3.037 -12.876 -3.340 1.00 0.81 C ATOM 160 CE1 TYR A 11 -0.842 -14.461 -2.819 1.00 0.96 C ATOM 161 CE2 TYR A 11 -2.103 -13.104 -4.330 1.00 0.95 C ATOM 162 CZ TYR A 11 -1.007 -13.895 -4.064 1.00 0.83 C ATOM 163 OH TYR A 11 -0.068 -14.110 -5.044 1.00 1.03 O ATOM 0 H TYR A 11 -2.536 -13.718 1.086 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.928 -11.305 -0.524 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -4.141 -14.077 -0.473 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.820 -12.780 -1.437 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -1.641 -14.661 -0.854 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -3.896 -12.257 -3.552 1.00 0.81 H new ATOM 0 HE1 TYR A 11 0.014 -15.087 -2.616 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -2.231 -12.665 -5.308 1.00 0.95 H new ATOM 0 HH TYR A 11 0.238 -13.249 -5.398 1.00 1.03 H new ATOM 173 N TYR A 12 -4.483 -10.225 1.007 1.00 0.37 N ATOM 174 CA TYR A 12 -5.476 -9.496 1.778 1.00 0.41 C ATOM 175 C TYR A 12 -6.703 -9.175 0.934 1.00 0.42 C ATOM 176 O TYR A 12 -6.711 -9.377 -0.282 1.00 0.45 O ATOM 177 CB TYR A 12 -4.880 -8.189 2.303 1.00 0.45 C ATOM 178 CG TYR A 12 -3.914 -8.358 3.460 1.00 0.51 C ATOM 179 CD1 TYR A 12 -2.579 -8.681 3.243 1.00 0.70 C ATOM 180 CD2 TYR A 12 -4.340 -8.180 4.770 1.00 0.77 C ATOM 181 CE1 TYR A 12 -1.698 -8.821 4.299 1.00 0.82 C ATOM 182 CE2 TYR A 12 -3.466 -8.319 5.831 1.00 0.91 C ATOM 183 CZ TYR A 12 -2.147 -8.641 5.591 1.00 0.82 C ATOM 184 OH TYR A 12 -1.269 -8.777 6.647 1.00 1.02 O ATOM 0 H TYR A 12 -3.761 -9.632 0.597 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.777 -10.130 2.612 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -4.364 -7.686 1.486 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.693 -7.534 2.617 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -2.225 -8.825 2.233 1.00 0.70 H new ATOM 0 HD2 TYR A 12 -5.373 -7.929 4.963 1.00 0.77 H new ATOM 0 HE1 TYR A 12 -0.664 -9.070 4.114 1.00 0.82 H new ATOM 0 HE2 TYR A 12 -3.814 -8.176 6.843 1.00 0.91 H new ATOM 0 HH TYR A 12 -1.743 -8.617 7.490 1.00 1.02 H new ATOM 194 N THR A 13 -7.737 -8.686 1.596 1.00 0.47 N ATOM 195 CA THR A 13 -8.970 -8.308 0.931 1.00 0.51 C ATOM 196 C THR A 13 -8.964 -6.808 0.630 1.00 0.47 C ATOM 197 O THR A 13 -8.337 -6.027 1.351 1.00 0.46 O ATOM 198 CB THR A 13 -10.190 -8.664 1.805 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.864 -9.774 2.660 1.00 0.77 O ATOM 200 CG2 THR A 13 -11.400 -9.018 0.948 1.00 0.86 C ATOM 0 H THR A 13 -7.745 -8.540 2.606 1.00 0.47 H new ATOM 0 HA THR A 13 -9.041 -8.861 -0.006 1.00 0.51 H new ATOM 0 HB THR A 13 -10.443 -7.792 2.408 1.00 0.62 H new ATOM 0 HG1 THR A 13 -9.191 -9.495 3.316 1.00 0.77 H new ATOM 0 HG21 THR A 13 -12.243 -9.264 1.593 1.00 0.86 H new ATOM 0 HG22 THR A 13 -11.661 -8.168 0.318 1.00 0.86 H new ATOM 0 HG23 THR A 13 -11.162 -9.876 0.319 1.00 0.86 H new ATOM 208 N LEU A 14 -9.652 -6.415 -0.436 1.00 0.50 N ATOM 209 CA LEU A 14 -9.719 -5.013 -0.845 1.00 0.51 C ATOM 210 C LEU A 14 -10.206 -4.108 0.293 1.00 0.48 C ATOM 211 O LEU A 14 -9.530 -3.152 0.676 1.00 0.51 O ATOM 212 CB LEU A 14 -10.645 -4.865 -2.055 1.00 0.58 C ATOM 213 CG LEU A 14 -10.481 -3.562 -2.837 1.00 0.73 C ATOM 214 CD1 LEU A 14 -9.532 -3.760 -4.009 1.00 1.00 C ATOM 215 CD2 LEU A 14 -11.832 -3.054 -3.316 1.00 0.95 C ATOM 0 H LEU A 14 -10.175 -7.051 -1.038 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.710 -4.700 -1.112 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -10.471 -5.702 -2.731 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.678 -4.940 -1.715 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.051 -2.812 -2.173 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -9.427 -2.822 -4.555 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.557 -4.075 -3.638 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -9.931 -4.525 -4.675 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -11.696 -2.126 -3.871 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -12.292 -3.800 -3.964 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.478 -2.872 -2.457 1.00 0.95 H new ATOM 227 N GLU A 15 -11.369 -4.424 0.844 1.00 0.50 N ATOM 228 CA GLU A 15 -11.949 -3.636 1.929 1.00 0.53 C ATOM 229 C GLU A 15 -11.289 -3.954 3.273 1.00 0.51 C ATOM 230 O GLU A 15 -11.705 -3.451 4.316 1.00 0.61 O ATOM 231 CB GLU A 15 -13.463 -3.876 2.012 1.00 0.61 C ATOM 232 CG GLU A 15 -13.852 -5.348 2.045 1.00 0.67 C ATOM 233 CD GLU A 15 -14.103 -5.923 0.661 1.00 0.76 C ATOM 234 OE1 GLU A 15 -13.118 -6.249 -0.040 1.00 0.83 O ATOM 235 OE2 GLU A 15 -15.284 -6.058 0.269 1.00 1.05 O ATOM 0 H GLU A 15 -11.934 -5.224 0.558 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.765 -2.585 1.708 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.850 -3.388 2.906 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.944 -3.402 1.156 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -13.060 -5.917 2.532 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -14.750 -5.468 2.651 1.00 0.67 H new ATOM 242 N GLU A 16 -10.245 -4.766 3.234 1.00 0.46 N ATOM 243 CA GLU A 16 -9.533 -5.165 4.439 1.00 0.50 C ATOM 244 C GLU A 16 -8.285 -4.309 4.648 1.00 0.46 C ATOM 245 O GLU A 16 -7.972 -3.909 5.774 1.00 0.51 O ATOM 246 CB GLU A 16 -9.172 -6.645 4.339 1.00 0.58 C ATOM 247 CG GLU A 16 -8.294 -7.171 5.459 1.00 1.05 C ATOM 248 CD GLU A 16 -8.111 -8.670 5.364 1.00 1.60 C ATOM 249 OE1 GLU A 16 -7.759 -9.166 4.271 1.00 2.19 O ATOM 250 OE2 GLU A 16 -8.345 -9.365 6.374 1.00 2.32 O ATOM 0 H GLU A 16 -9.869 -5.165 2.374 1.00 0.46 H new ATOM 0 HA GLU A 16 -10.178 -5.011 5.304 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -10.093 -7.227 4.317 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -8.664 -6.816 3.390 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -7.321 -6.682 5.420 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -8.740 -6.918 6.421 1.00 1.05 H new ATOM 257 N ILE A 17 -7.576 -4.017 3.563 1.00 0.42 N ATOM 258 CA ILE A 17 -6.363 -3.209 3.645 1.00 0.44 C ATOM 259 C ILE A 17 -6.687 -1.741 3.905 1.00 0.43 C ATOM 260 O ILE A 17 -6.028 -1.088 4.713 1.00 0.48 O ATOM 261 CB ILE A 17 -5.489 -3.328 2.370 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.336 -3.209 1.097 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.724 -4.642 2.377 1.00 0.58 C ATOM 264 CD1 ILE A 17 -6.235 -1.857 0.426 1.00 0.98 C ATOM 0 H ILE A 17 -7.818 -4.325 2.621 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.793 -3.603 4.486 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.777 -2.503 2.374 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -6.026 -3.980 0.391 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.379 -3.405 1.345 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -4.114 -4.713 1.476 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -4.080 -4.683 3.255 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.429 -5.473 2.404 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -6.860 -1.846 -0.467 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -6.573 -1.083 1.115 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.199 -1.666 0.146 1.00 0.98 H new ATOM 276 N LYS A 18 -7.731 -1.235 3.255 1.00 0.42 N ATOM 277 CA LYS A 18 -8.124 0.163 3.415 1.00 0.48 C ATOM 278 C LYS A 18 -8.741 0.418 4.784 1.00 0.50 C ATOM 279 O LYS A 18 -8.965 1.560 5.170 1.00 0.63 O ATOM 280 CB LYS A 18 -9.096 0.590 2.312 1.00 0.56 C ATOM 281 CG LYS A 18 -10.365 -0.247 2.238 1.00 0.53 C ATOM 282 CD LYS A 18 -11.500 0.515 1.564 1.00 0.87 C ATOM 283 CE LYS A 18 -11.124 0.965 0.158 1.00 1.05 C ATOM 284 NZ LYS A 18 -11.668 2.313 -0.163 1.00 1.48 N ATOM 0 H LYS A 18 -8.319 -1.769 2.615 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.218 0.763 3.334 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.371 1.633 2.470 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.583 0.537 1.352 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.164 -1.165 1.686 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.668 -0.539 3.243 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.386 -0.118 1.518 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.761 1.385 2.166 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -10.038 0.980 0.061 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -11.499 0.242 -0.566 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -11.388 2.579 -1.129 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -12.706 2.294 -0.096 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -11.291 3.009 0.511 1.00 1.48 H new ATOM 298 N LYS A 19 -9.013 -0.649 5.518 1.00 0.47 N ATOM 299 CA LYS A 19 -9.590 -0.531 6.850 1.00 0.53 C ATOM 300 C LYS A 19 -8.471 -0.408 7.882 1.00 0.54 C ATOM 301 O LYS A 19 -8.712 -0.237 9.075 1.00 0.67 O ATOM 302 CB LYS A 19 -10.475 -1.747 7.154 1.00 0.60 C ATOM 303 CG LYS A 19 -11.292 -1.621 8.437 1.00 0.84 C ATOM 304 CD LYS A 19 -12.340 -0.519 8.345 1.00 1.09 C ATOM 305 CE LYS A 19 -13.507 -0.924 7.456 1.00 1.31 C ATOM 306 NZ LYS A 19 -14.288 -2.053 8.031 1.00 1.68 N ATOM 0 H LYS A 19 -8.844 -1.608 5.215 1.00 0.47 H new ATOM 0 HA LYS A 19 -10.212 0.363 6.896 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -11.155 -1.905 6.317 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -9.844 -2.633 7.224 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -11.783 -2.571 8.648 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -10.623 -1.416 9.273 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -12.708 -0.283 9.343 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -11.881 0.388 7.952 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -14.165 -0.067 7.310 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -13.131 -1.208 6.473 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -15.215 -2.108 7.562 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -13.771 -2.943 7.883 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -14.424 -1.897 9.050 1.00 1.68 H new ATOM 320 N HIS A 20 -7.240 -0.479 7.402 1.00 0.55 N ATOM 321 CA HIS A 20 -6.075 -0.391 8.272 1.00 0.59 C ATOM 322 C HIS A 20 -5.273 0.874 7.998 1.00 0.58 C ATOM 323 O HIS A 20 -4.152 1.005 8.474 1.00 0.66 O ATOM 324 CB HIS A 20 -5.168 -1.608 8.071 1.00 0.68 C ATOM 325 CG HIS A 20 -5.593 -2.822 8.836 1.00 0.74 C ATOM 326 ND1 HIS A 20 -6.370 -3.821 8.291 1.00 0.90 N ATOM 327 CD2 HIS A 20 -5.326 -3.206 10.106 1.00 0.98 C ATOM 328 CE1 HIS A 20 -6.561 -4.766 9.193 1.00 1.07 C ATOM 329 NE2 HIS A 20 -5.937 -4.420 10.303 1.00 1.13 N ATOM 0 H HIS A 20 -7.020 -0.598 6.413 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.436 -0.363 9.300 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -5.138 -1.853 7.009 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -4.153 -1.343 8.366 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.739 -3.829 7.340 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -4.741 -2.659 10.830 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -7.132 -5.671 9.047 1.00 1.07 H new ATOM 338 N ASN A 21 -5.860 1.815 7.267 1.00 0.58 N ATOM 339 CA ASN A 21 -5.168 3.059 6.916 1.00 0.61 C ATOM 340 C ASN A 21 -5.000 3.985 8.129 1.00 0.60 C ATOM 341 O ASN A 21 -5.594 5.059 8.214 1.00 0.75 O ATOM 342 CB ASN A 21 -5.890 3.779 5.760 1.00 0.72 C ATOM 343 CG ASN A 21 -7.292 4.255 6.103 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.987 3.667 6.936 1.00 0.96 O ATOM 345 ND2 ASN A 21 -7.715 5.327 5.453 1.00 0.88 N ATOM 0 H ASN A 21 -6.811 1.745 6.905 1.00 0.58 H new ATOM 0 HA ASN A 21 -4.166 2.792 6.579 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -5.292 4.637 5.451 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -5.946 3.105 4.905 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -8.648 5.697 5.633 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -7.108 5.783 4.772 1.00 0.88 H new ATOM 352 N HIS A 22 -4.178 3.554 9.070 1.00 0.64 N ATOM 353 CA HIS A 22 -3.907 4.326 10.274 1.00 0.76 C ATOM 354 C HIS A 22 -2.435 4.720 10.306 1.00 0.88 C ATOM 355 O HIS A 22 -1.645 4.213 9.514 1.00 1.61 O ATOM 356 CB HIS A 22 -4.286 3.527 11.525 1.00 0.83 C ATOM 357 CG HIS A 22 -5.764 3.439 11.764 1.00 0.87 C ATOM 358 ND1 HIS A 22 -6.381 3.930 12.896 1.00 1.32 N ATOM 359 CD2 HIS A 22 -6.753 2.908 11.003 1.00 1.17 C ATOM 360 CE1 HIS A 22 -7.680 3.703 12.820 1.00 1.29 C ATOM 361 NE2 HIS A 22 -7.929 3.086 11.683 1.00 1.09 N ATOM 0 H HIS A 22 -3.681 2.664 9.023 1.00 0.64 H new ATOM 0 HA HIS A 22 -4.514 5.231 10.262 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -3.881 2.519 11.437 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -3.814 3.985 12.394 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -6.635 2.433 10.040 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -8.414 3.977 13.564 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -8.850 2.788 11.361 1.00 1.09 H new ATOM 370 N SER A 23 -2.070 5.589 11.237 1.00 0.60 N ATOM 371 CA SER A 23 -0.697 6.077 11.358 1.00 0.62 C ATOM 372 C SER A 23 0.304 4.960 11.680 1.00 0.52 C ATOM 373 O SER A 23 1.491 5.078 11.374 1.00 0.62 O ATOM 374 CB SER A 23 -0.643 7.163 12.430 1.00 0.84 C ATOM 375 OG SER A 23 -1.736 8.060 12.289 1.00 1.32 O ATOM 0 H SER A 23 -2.711 5.977 11.929 1.00 0.60 H new ATOM 0 HA SER A 23 -0.404 6.486 10.391 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.666 6.706 13.419 1.00 0.84 H new ATOM 0 HB3 SER A 23 0.296 7.711 12.353 1.00 0.84 H new ATOM 0 HG SER A 23 -1.686 8.748 12.985 1.00 1.32 H new ATOM 381 N LYS A 24 -0.170 3.882 12.298 1.00 0.51 N ATOM 382 CA LYS A 24 0.708 2.767 12.647 1.00 0.51 C ATOM 383 C LYS A 24 0.458 1.550 11.754 1.00 0.44 C ATOM 384 O LYS A 24 0.886 0.438 12.069 1.00 0.45 O ATOM 385 CB LYS A 24 0.533 2.390 14.121 1.00 0.71 C ATOM 386 CG LYS A 24 -0.848 1.862 14.471 1.00 0.97 C ATOM 387 CD LYS A 24 -0.975 1.605 15.962 1.00 1.41 C ATOM 388 CE LYS A 24 -2.260 0.869 16.294 1.00 1.88 C ATOM 389 NZ LYS A 24 -2.382 0.612 17.750 1.00 2.36 N ATOM 0 H LYS A 24 -1.146 3.756 12.566 1.00 0.51 H new ATOM 0 HA LYS A 24 1.735 3.093 12.483 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.275 1.635 14.381 1.00 0.71 H new ATOM 0 HB3 LYS A 24 0.741 3.266 14.735 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -1.605 2.580 14.157 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -1.037 0.939 13.923 1.00 0.97 H new ATOM 0 HD2 LYS A 24 -0.121 1.021 16.305 1.00 1.41 H new ATOM 0 HD3 LYS A 24 -0.949 2.553 16.499 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -3.114 1.455 15.955 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -2.288 -0.077 15.753 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -3.271 0.108 17.940 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 -1.580 0.032 18.068 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -2.380 1.516 18.264 1.00 2.36 H new ATOM 403 N SER A 25 -0.235 1.759 10.642 1.00 0.43 N ATOM 404 CA SER A 25 -0.531 0.678 9.707 1.00 0.42 C ATOM 405 C SER A 25 -0.789 1.234 8.307 1.00 0.42 C ATOM 406 O SER A 25 -1.620 0.715 7.564 1.00 0.50 O ATOM 407 CB SER A 25 -1.745 -0.127 10.187 1.00 0.48 C ATOM 408 OG SER A 25 -1.512 -0.702 11.463 1.00 0.83 O ATOM 0 H SER A 25 -0.604 2.668 10.364 1.00 0.43 H new ATOM 0 HA SER A 25 0.334 0.016 9.664 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.619 0.522 10.233 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.970 -0.914 9.467 1.00 0.48 H new ATOM 0 HG SER A 25 -2.303 -1.207 11.743 1.00 0.83 H new ATOM 414 N THR A 26 -0.069 2.288 7.950 1.00 0.42 N ATOM 415 CA THR A 26 -0.226 2.918 6.649 1.00 0.43 C ATOM 416 C THR A 26 0.264 2.005 5.524 1.00 0.36 C ATOM 417 O THR A 26 1.463 1.920 5.246 1.00 0.41 O ATOM 418 CB THR A 26 0.526 4.262 6.588 1.00 0.51 C ATOM 419 OG1 THR A 26 0.197 5.058 7.737 1.00 0.64 O ATOM 420 CG2 THR A 26 0.171 5.030 5.323 1.00 0.56 C ATOM 0 H THR A 26 0.633 2.726 8.547 1.00 0.42 H new ATOM 0 HA THR A 26 -1.291 3.102 6.510 1.00 0.43 H new ATOM 0 HB THR A 26 1.595 4.052 6.578 1.00 0.51 H new ATOM 0 HG1 THR A 26 -0.621 4.712 8.152 1.00 0.64 H new ATOM 0 HG21 THR A 26 0.715 5.974 5.306 1.00 0.56 H new ATOM 0 HG22 THR A 26 0.443 4.438 4.449 1.00 0.56 H new ATOM 0 HG23 THR A 26 -0.901 5.229 5.307 1.00 0.56 H new ATOM 428 N TRP A 27 -0.674 1.305 4.900 1.00 0.35 N ATOM 429 CA TRP A 27 -0.364 0.410 3.799 1.00 0.33 C ATOM 430 C TRP A 27 -0.676 1.090 2.476 1.00 0.32 C ATOM 431 O TRP A 27 -1.709 1.751 2.330 1.00 0.36 O ATOM 432 CB TRP A 27 -1.163 -0.891 3.925 1.00 0.38 C ATOM 433 CG TRP A 27 -0.764 -1.728 5.104 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.409 -1.659 5.798 1.00 0.43 C ATOM 435 CD2 TRP A 27 -1.537 -2.763 5.724 1.00 0.48 C ATOM 436 NE1 TRP A 27 0.412 -2.581 6.813 1.00 0.48 N ATOM 437 CE2 TRP A 27 -0.771 -3.271 6.790 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.804 -3.307 5.486 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -1.226 -4.298 7.611 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -3.254 -4.327 6.303 1.00 0.68 C ATOM 441 CH2 TRP A 27 -2.468 -4.810 7.356 1.00 0.71 C ATOM 0 H TRP A 27 -1.664 1.343 5.142 1.00 0.35 H new ATOM 0 HA TRP A 27 0.698 0.168 3.833 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -2.223 -0.650 4.003 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -1.035 -1.476 3.014 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.218 -0.977 5.580 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.172 -2.729 7.477 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -3.419 -2.937 4.679 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 -0.620 -4.677 8.421 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -4.228 -4.759 6.126 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -2.851 -5.604 7.980 1.00 0.71 H new ATOM 452 N LEU A 28 0.222 0.939 1.521 1.00 0.32 N ATOM 453 CA LEU A 28 0.052 1.541 0.211 1.00 0.33 C ATOM 454 C LEU A 28 0.164 0.478 -0.864 1.00 0.32 C ATOM 455 O LEU A 28 1.006 -0.419 -0.776 1.00 0.32 O ATOM 456 CB LEU A 28 1.109 2.624 -0.009 1.00 0.36 C ATOM 457 CG LEU A 28 0.568 4.013 -0.337 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.569 5.081 0.068 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.247 4.126 -1.819 1.00 0.99 C ATOM 0 H LEU A 28 1.082 0.401 1.629 1.00 0.32 H new ATOM 0 HA LEU A 28 -0.936 1.998 0.156 1.00 0.33 H new ATOM 0 HB2 LEU A 28 1.723 2.695 0.888 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.765 2.308 -0.820 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.352 4.165 0.228 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.168 6.066 -0.173 1.00 0.85 H new ATOM 0 HD12 LEU A 28 1.755 5.017 1.140 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.503 4.928 -0.472 1.00 0.85 H new ATOM 0 HD21 LEU A 28 -0.137 5.123 -2.033 1.00 0.99 H new ATOM 0 HD22 LEU A 28 1.152 3.953 -2.402 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.504 3.383 -2.086 1.00 0.99 H new ATOM 471 N ILE A 29 -0.696 0.558 -1.865 1.00 0.35 N ATOM 472 CA ILE A 29 -0.675 -0.399 -2.951 1.00 0.36 C ATOM 473 C ILE A 29 0.082 0.176 -4.141 1.00 0.36 C ATOM 474 O ILE A 29 -0.307 1.193 -4.713 1.00 0.39 O ATOM 475 CB ILE A 29 -2.098 -0.814 -3.387 1.00 0.42 C ATOM 476 CG1 ILE A 29 -2.871 -1.406 -2.207 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.037 -1.816 -4.533 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.299 -1.772 -2.546 1.00 0.80 C ATOM 0 H ILE A 29 -1.416 1.276 -1.946 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.166 -1.292 -2.588 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.621 0.077 -3.733 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.351 -2.295 -1.851 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -2.873 -0.688 -1.387 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.049 -2.096 -4.826 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.525 -1.366 -5.383 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -1.494 -2.704 -4.211 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -4.788 -2.186 -1.664 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -4.835 -0.881 -2.874 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.305 -2.513 -3.345 1.00 0.80 H new ATOM 490 N LEU A 30 1.186 -0.460 -4.484 1.00 0.34 N ATOM 491 CA LEU A 30 1.997 -0.026 -5.604 1.00 0.37 C ATOM 492 C LEU A 30 2.188 -1.186 -6.560 1.00 0.38 C ATOM 493 O LEU A 30 2.697 -2.235 -6.169 1.00 0.38 O ATOM 494 CB LEU A 30 3.350 0.500 -5.122 1.00 0.38 C ATOM 495 CG LEU A 30 3.273 1.708 -4.188 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.645 2.031 -3.627 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.705 2.912 -4.919 1.00 0.48 C ATOM 0 H LEU A 30 1.543 -1.284 -3.999 1.00 0.34 H new ATOM 0 HA LEU A 30 1.488 0.788 -6.120 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.875 -0.305 -4.609 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.950 0.768 -5.991 1.00 0.38 H new ATOM 0 HG LEU A 30 2.608 1.461 -3.361 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.573 2.893 -2.964 1.00 0.44 H new ATOM 0 HD12 LEU A 30 5.021 1.174 -3.068 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.328 2.258 -4.445 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.658 3.762 -4.238 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.346 3.160 -5.765 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.703 2.680 -5.279 1.00 0.48 H new ATOM 509 N HIS A 31 1.755 -0.997 -7.801 1.00 0.41 N ATOM 510 CA HIS A 31 1.848 -2.028 -8.833 1.00 0.43 C ATOM 511 C HIS A 31 0.929 -3.186 -8.467 1.00 0.42 C ATOM 512 O HIS A 31 1.206 -4.346 -8.772 1.00 0.45 O ATOM 513 CB HIS A 31 3.294 -2.513 -9.025 1.00 0.47 C ATOM 514 CG HIS A 31 4.207 -1.487 -9.643 1.00 0.66 C ATOM 515 ND1 HIS A 31 5.411 -1.807 -10.235 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.084 -0.141 -9.761 1.00 1.10 C ATOM 517 CE1 HIS A 31 5.985 -0.708 -10.687 1.00 1.22 C ATOM 518 NE2 HIS A 31 5.202 0.318 -10.413 1.00 1.18 N ATOM 0 H HIS A 31 1.330 -0.127 -8.122 1.00 0.41 H new ATOM 0 HA HIS A 31 1.531 -1.599 -9.784 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.699 -2.809 -8.057 1.00 0.47 H new ATOM 0 HB3 HIS A 31 3.287 -3.404 -9.653 1.00 0.47 H new ATOM 0 HD2 HIS A 31 3.259 0.459 -9.407 1.00 1.10 H new ATOM 0 HE1 HIS A 31 6.936 -0.657 -11.196 1.00 1.22 H new ATOM 0 HE2 HIS A 31 5.395 1.292 -10.647 1.00 1.18 H new ATOM 527 N HIS A 32 -0.179 -2.835 -7.806 1.00 0.42 N ATOM 528 CA HIS A 32 -1.190 -3.798 -7.366 1.00 0.44 C ATOM 529 C HIS A 32 -0.641 -4.745 -6.293 1.00 0.40 C ATOM 530 O HIS A 32 -1.110 -5.878 -6.149 1.00 0.44 O ATOM 531 CB HIS A 32 -1.748 -4.586 -8.557 1.00 0.52 C ATOM 532 CG HIS A 32 -2.507 -3.732 -9.524 1.00 0.68 C ATOM 533 ND1 HIS A 32 -2.096 -3.515 -10.821 1.00 1.01 N ATOM 534 CD2 HIS A 32 -3.658 -3.031 -9.376 1.00 0.85 C ATOM 535 CE1 HIS A 32 -2.957 -2.720 -11.428 1.00 1.09 C ATOM 536 NE2 HIS A 32 -3.915 -2.413 -10.574 1.00 0.97 N ATOM 0 H HIS A 32 -0.399 -1.870 -7.561 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.006 -3.233 -6.916 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -0.925 -5.073 -9.080 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.403 -5.376 -8.188 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.260 -2.970 -8.482 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -2.889 -2.379 -12.450 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -4.716 -1.814 -10.772 1.00 0.97 H new ATOM 545 N LYS A 33 0.345 -4.263 -5.542 1.00 0.37 N ATOM 546 CA LYS A 33 0.962 -5.029 -4.461 1.00 0.37 C ATOM 547 C LYS A 33 0.843 -4.246 -3.157 1.00 0.33 C ATOM 548 O LYS A 33 0.851 -3.015 -3.176 1.00 0.36 O ATOM 549 CB LYS A 33 2.441 -5.300 -4.760 1.00 0.40 C ATOM 550 CG LYS A 33 2.715 -5.776 -6.178 1.00 0.57 C ATOM 551 CD LYS A 33 2.414 -7.255 -6.332 1.00 0.79 C ATOM 552 CE LYS A 33 2.691 -7.733 -7.745 1.00 0.94 C ATOM 553 NZ LYS A 33 2.686 -9.216 -7.838 1.00 1.02 N ATOM 0 H LYS A 33 0.740 -3.330 -5.665 1.00 0.37 H new ATOM 0 HA LYS A 33 0.446 -5.985 -4.372 1.00 0.37 H new ATOM 0 HB2 LYS A 33 3.009 -4.388 -4.579 1.00 0.40 H new ATOM 0 HB3 LYS A 33 2.810 -6.049 -4.060 1.00 0.40 H new ATOM 0 HG2 LYS A 33 2.107 -5.204 -6.879 1.00 0.57 H new ATOM 0 HG3 LYS A 33 3.758 -5.587 -6.432 1.00 0.57 H new ATOM 0 HD2 LYS A 33 3.019 -7.826 -5.628 1.00 0.79 H new ATOM 0 HD3 LYS A 33 1.370 -7.443 -6.081 1.00 0.79 H new ATOM 0 HE2 LYS A 33 1.940 -7.324 -8.421 1.00 0.94 H new ATOM 0 HE3 LYS A 33 3.657 -7.352 -8.075 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 2.995 -9.505 -8.788 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 3.335 -9.611 -7.128 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 1.724 -9.572 -7.663 1.00 1.02 H new ATOM 567 N VAL A 34 0.744 -4.945 -2.036 1.00 0.30 N ATOM 568 CA VAL A 34 0.608 -4.280 -0.743 1.00 0.30 C ATOM 569 C VAL A 34 1.967 -4.079 -0.083 1.00 0.27 C ATOM 570 O VAL A 34 2.671 -5.046 0.217 1.00 0.28 O ATOM 571 CB VAL A 34 -0.302 -5.071 0.220 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.655 -4.225 1.434 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.562 -5.541 -0.492 1.00 0.35 C ATOM 0 H VAL A 34 0.755 -5.964 -1.992 1.00 0.30 H new ATOM 0 HA VAL A 34 0.150 -3.311 -0.942 1.00 0.30 H new ATOM 0 HB VAL A 34 0.243 -5.951 0.561 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.297 -4.798 2.103 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.258 -3.944 1.960 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -1.179 -3.325 1.111 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.189 -6.096 0.206 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -2.112 -4.678 -0.866 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.289 -6.186 -1.327 1.00 0.35 H new ATOM 583 N TYR A 35 2.330 -2.821 0.137 1.00 0.28 N ATOM 584 CA TYR A 35 3.600 -2.488 0.765 1.00 0.28 C ATOM 585 C TYR A 35 3.375 -1.757 2.084 1.00 0.30 C ATOM 586 O TYR A 35 2.501 -0.890 2.184 1.00 0.32 O ATOM 587 CB TYR A 35 4.447 -1.621 -0.170 1.00 0.31 C ATOM 588 CG TYR A 35 4.903 -2.343 -1.419 1.00 0.31 C ATOM 589 CD1 TYR A 35 5.966 -3.235 -1.378 1.00 0.35 C ATOM 590 CD2 TYR A 35 4.273 -2.126 -2.636 1.00 0.43 C ATOM 591 CE1 TYR A 35 6.386 -3.897 -2.516 1.00 0.40 C ATOM 592 CE2 TYR A 35 4.687 -2.785 -3.778 1.00 0.47 C ATOM 593 CZ TYR A 35 5.746 -3.668 -3.712 1.00 0.41 C ATOM 594 OH TYR A 35 6.162 -4.327 -4.846 1.00 0.48 O ATOM 0 H TYR A 35 1.759 -2.013 -0.112 1.00 0.28 H new ATOM 0 HA TYR A 35 4.131 -3.418 0.967 1.00 0.28 H new ATOM 0 HB2 TYR A 35 3.870 -0.742 -0.459 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.322 -1.264 0.373 1.00 0.31 H new ATOM 0 HD1 TYR A 35 6.473 -3.414 -0.441 1.00 0.35 H new ATOM 0 HD2 TYR A 35 3.447 -1.432 -2.692 1.00 0.43 H new ATOM 0 HE1 TYR A 35 7.212 -4.591 -2.467 1.00 0.40 H new ATOM 0 HE2 TYR A 35 4.184 -2.610 -4.718 1.00 0.47 H new ATOM 0 HH TYR A 35 5.606 -4.055 -5.605 1.00 0.48 H new ATOM 604 N ASP A 36 4.162 -2.113 3.090 1.00 0.32 N ATOM 605 CA ASP A 36 4.065 -1.495 4.407 1.00 0.36 C ATOM 606 C ASP A 36 5.209 -0.512 4.610 1.00 0.38 C ATOM 607 O ASP A 36 6.378 -0.899 4.647 1.00 0.50 O ATOM 608 CB ASP A 36 4.095 -2.561 5.509 1.00 0.43 C ATOM 609 CG ASP A 36 3.730 -2.018 6.885 1.00 0.57 C ATOM 610 OD1 ASP A 36 4.114 -0.870 7.218 1.00 0.90 O ATOM 611 OD2 ASP A 36 3.071 -2.757 7.659 1.00 1.28 O ATOM 0 H ASP A 36 4.881 -2.833 3.018 1.00 0.32 H new ATOM 0 HA ASP A 36 3.117 -0.960 4.465 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.404 -3.363 5.248 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.092 -3.000 5.552 1.00 0.43 H new ATOM 616 N LEU A 37 4.870 0.758 4.730 1.00 0.37 N ATOM 617 CA LEU A 37 5.866 1.793 4.937 1.00 0.43 C ATOM 618 C LEU A 37 5.385 2.757 6.012 1.00 0.37 C ATOM 619 O LEU A 37 5.771 3.925 6.036 1.00 0.40 O ATOM 620 CB LEU A 37 6.160 2.546 3.631 1.00 0.56 C ATOM 621 CG LEU A 37 5.002 3.373 3.068 1.00 0.66 C ATOM 622 CD1 LEU A 37 5.532 4.586 2.322 1.00 0.86 C ATOM 623 CD2 LEU A 37 4.133 2.527 2.152 1.00 0.80 C ATOM 0 H LEU A 37 3.909 1.099 4.688 1.00 0.37 H new ATOM 0 HA LEU A 37 6.793 1.324 5.265 1.00 0.43 H new ATOM 0 HB2 LEU A 37 7.009 3.209 3.799 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.466 1.822 2.876 1.00 0.56 H new ATOM 0 HG LEU A 37 4.389 3.716 3.901 1.00 0.66 H new ATOM 0 HD11 LEU A 37 4.696 5.164 1.927 1.00 0.86 H new ATOM 0 HD12 LEU A 37 6.113 5.207 3.004 1.00 0.86 H new ATOM 0 HD13 LEU A 37 6.167 4.258 1.499 1.00 0.86 H new ATOM 0 HD21 LEU A 37 3.316 3.134 1.763 1.00 0.80 H new ATOM 0 HD22 LEU A 37 4.734 2.153 1.323 1.00 0.80 H new ATOM 0 HD23 LEU A 37 3.725 1.686 2.712 1.00 0.80 H new ATOM 635 N THR A 38 4.570 2.242 6.926 1.00 0.34 N ATOM 636 CA THR A 38 4.009 3.046 8.005 1.00 0.36 C ATOM 637 C THR A 38 5.094 3.604 8.931 1.00 0.38 C ATOM 638 O THR A 38 4.865 4.568 9.659 1.00 0.44 O ATOM 639 CB THR A 38 2.983 2.230 8.824 1.00 0.41 C ATOM 640 OG1 THR A 38 2.054 3.112 9.466 1.00 0.48 O ATOM 641 CG2 THR A 38 3.659 1.358 9.871 1.00 0.48 C ATOM 0 H THR A 38 4.282 1.264 6.940 1.00 0.34 H new ATOM 0 HA THR A 38 3.502 3.891 7.539 1.00 0.36 H new ATOM 0 HB THR A 38 2.456 1.577 8.129 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.520 3.638 10.149 1.00 0.48 H new ATOM 0 HG21 THR A 38 2.903 0.801 10.424 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.337 0.660 9.380 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.223 1.987 10.560 1.00 0.48 H new ATOM 649 N LYS A 39 6.274 3.001 8.898 1.00 0.39 N ATOM 650 CA LYS A 39 7.382 3.458 9.726 1.00 0.47 C ATOM 651 C LYS A 39 8.438 4.127 8.861 1.00 0.47 C ATOM 652 O LYS A 39 9.550 4.403 9.309 1.00 0.59 O ATOM 653 CB LYS A 39 7.989 2.286 10.498 1.00 0.56 C ATOM 654 CG LYS A 39 7.126 1.791 11.652 1.00 0.75 C ATOM 655 CD LYS A 39 7.138 2.759 12.826 1.00 0.92 C ATOM 656 CE LYS A 39 5.912 3.663 12.833 1.00 1.27 C ATOM 657 NZ LYS A 39 5.998 4.707 13.885 1.00 1.50 N ATOM 0 H LYS A 39 6.489 2.197 8.309 1.00 0.39 H new ATOM 0 HA LYS A 39 7.006 4.186 10.445 1.00 0.47 H new ATOM 0 HB2 LYS A 39 8.163 1.461 9.808 1.00 0.56 H new ATOM 0 HB3 LYS A 39 8.962 2.586 10.888 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.102 1.653 11.306 1.00 0.75 H new ATOM 0 HG3 LYS A 39 7.485 0.816 11.982 1.00 0.75 H new ATOM 0 HD2 LYS A 39 7.179 2.197 13.759 1.00 0.92 H new ATOM 0 HD3 LYS A 39 8.039 3.371 12.782 1.00 0.92 H new ATOM 0 HE2 LYS A 39 5.806 4.138 11.858 1.00 1.27 H new ATOM 0 HE3 LYS A 39 5.018 3.060 12.992 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 5.144 5.300 13.856 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 6.073 4.254 14.818 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 6.837 5.299 13.719 1.00 1.50 H new ATOM 671 N PHE A 40 8.078 4.383 7.611 1.00 0.40 N ATOM 672 CA PHE A 40 8.987 5.014 6.671 1.00 0.44 C ATOM 673 C PHE A 40 8.354 6.247 6.041 1.00 0.40 C ATOM 674 O PHE A 40 8.925 6.851 5.137 1.00 0.42 O ATOM 675 CB PHE A 40 9.412 4.014 5.592 1.00 0.52 C ATOM 676 CG PHE A 40 10.281 2.905 6.119 1.00 1.16 C ATOM 677 CD1 PHE A 40 9.717 1.737 6.610 1.00 1.66 C ATOM 678 CD2 PHE A 40 11.660 3.038 6.138 1.00 1.77 C ATOM 679 CE1 PHE A 40 10.512 0.722 7.105 1.00 2.39 C ATOM 680 CE2 PHE A 40 12.461 2.023 6.631 1.00 2.45 C ATOM 681 CZ PHE A 40 11.886 0.866 7.116 1.00 2.68 C ATOM 0 H PHE A 40 7.160 4.162 7.226 1.00 0.40 H new ATOM 0 HA PHE A 40 9.873 5.336 7.217 1.00 0.44 H new ATOM 0 HB2 PHE A 40 8.521 3.583 5.135 1.00 0.52 H new ATOM 0 HB3 PHE A 40 9.949 4.545 4.806 1.00 0.52 H new ATOM 0 HD1 PHE A 40 8.643 1.620 6.605 1.00 1.66 H new ATOM 0 HD2 PHE A 40 12.115 3.943 5.764 1.00 1.77 H new ATOM 0 HE1 PHE A 40 10.060 -0.183 7.483 1.00 2.39 H new ATOM 0 HE2 PHE A 40 13.535 2.136 6.636 1.00 2.45 H new ATOM 0 HZ PHE A 40 12.509 0.074 7.504 1.00 2.68 H new ATOM 691 N LEU A 41 7.173 6.618 6.527 1.00 0.39 N ATOM 692 CA LEU A 41 6.462 7.791 6.022 1.00 0.43 C ATOM 693 C LEU A 41 7.286 9.049 6.264 1.00 0.44 C ATOM 694 O LEU A 41 7.333 9.953 5.433 1.00 0.47 O ATOM 695 CB LEU A 41 5.100 7.926 6.711 1.00 0.49 C ATOM 696 CG LEU A 41 4.197 6.694 6.640 1.00 0.48 C ATOM 697 CD1 LEU A 41 3.037 6.838 7.610 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.684 6.494 5.222 1.00 0.59 C ATOM 0 H LEU A 41 6.686 6.122 7.273 1.00 0.39 H new ATOM 0 HA LEU A 41 6.306 7.666 4.950 1.00 0.43 H new ATOM 0 HB2 LEU A 41 5.267 8.172 7.760 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.570 8.768 6.266 1.00 0.49 H new ATOM 0 HG LEU A 41 4.779 5.817 6.922 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.401 5.955 7.550 1.00 0.55 H new ATOM 0 HD12 LEU A 41 3.422 6.940 8.625 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.455 7.722 7.352 1.00 0.55 H new ATOM 0 HD21 LEU A 41 3.043 5.613 5.188 1.00 0.59 H new ATOM 0 HD22 LEU A 41 3.113 7.370 4.915 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.528 6.355 4.546 1.00 0.59 H new ATOM 710 N GLU A 42 7.946 9.087 7.411 1.00 0.49 N ATOM 711 CA GLU A 42 8.780 10.217 7.781 1.00 0.56 C ATOM 712 C GLU A 42 10.188 10.053 7.213 1.00 0.54 C ATOM 713 O GLU A 42 11.032 10.935 7.352 1.00 0.66 O ATOM 714 CB GLU A 42 8.827 10.347 9.304 1.00 0.67 C ATOM 715 CG GLU A 42 9.411 9.127 9.997 1.00 0.72 C ATOM 716 CD GLU A 42 8.770 8.843 11.338 1.00 0.93 C ATOM 717 OE1 GLU A 42 8.277 9.789 11.985 1.00 1.40 O ATOM 718 OE2 GLU A 42 8.750 7.665 11.749 1.00 1.50 O ATOM 0 H GLU A 42 7.919 8.341 8.106 1.00 0.49 H new ATOM 0 HA GLU A 42 8.350 11.126 7.362 1.00 0.56 H new ATOM 0 HB2 GLU A 42 9.419 11.223 9.568 1.00 0.67 H new ATOM 0 HB3 GLU A 42 7.818 10.519 9.678 1.00 0.67 H new ATOM 0 HG2 GLU A 42 9.290 8.257 9.352 1.00 0.72 H new ATOM 0 HG3 GLU A 42 10.482 9.274 10.137 1.00 0.72 H new ATOM 725 N GLU A 43 10.429 8.919 6.565 1.00 0.48 N ATOM 726 CA GLU A 43 11.725 8.631 5.975 1.00 0.50 C ATOM 727 C GLU A 43 11.644 8.767 4.460 1.00 0.43 C ATOM 728 O GLU A 43 12.569 8.401 3.736 1.00 0.54 O ATOM 729 CB GLU A 43 12.177 7.214 6.348 1.00 0.58 C ATOM 730 CG GLU A 43 11.979 6.873 7.816 1.00 0.76 C ATOM 731 CD GLU A 43 13.216 7.129 8.648 1.00 0.96 C ATOM 732 OE1 GLU A 43 13.598 8.307 8.818 1.00 1.46 O ATOM 733 OE2 GLU A 43 13.809 6.148 9.143 1.00 1.56 O ATOM 0 H GLU A 43 9.737 8.181 6.436 1.00 0.48 H new ATOM 0 HA GLU A 43 12.453 9.344 6.362 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.627 6.496 5.740 1.00 0.58 H new ATOM 0 HB3 GLU A 43 13.232 7.102 6.098 1.00 0.58 H new ATOM 0 HG2 GLU A 43 11.151 7.461 8.213 1.00 0.76 H new ATOM 0 HG3 GLU A 43 11.697 5.824 7.906 1.00 0.76 H new ATOM 740 N HIS A 44 10.528 9.298 3.986 1.00 0.43 N ATOM 741 CA HIS A 44 10.320 9.469 2.561 1.00 0.39 C ATOM 742 C HIS A 44 10.447 10.937 2.162 1.00 0.43 C ATOM 743 O HIS A 44 9.746 11.798 2.701 1.00 0.51 O ATOM 744 CB HIS A 44 8.943 8.930 2.172 1.00 0.41 C ATOM 745 CG HIS A 44 8.638 9.042 0.713 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.688 9.894 0.197 1.00 0.42 N ATOM 747 CD2 HIS A 44 9.175 8.391 -0.350 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.677 9.740 -1.133 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.563 8.842 -1.514 1.00 0.41 N ATOM 0 H HIS A 44 9.754 9.617 4.569 1.00 0.43 H new ATOM 0 HA HIS A 44 11.089 8.909 2.029 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.877 7.883 2.467 1.00 0.41 H new ATOM 0 HB3 HIS A 44 8.181 9.469 2.735 1.00 0.41 H new ATOM 0 HD1 HIS A 44 7.097 10.530 0.733 1.00 0.42 H new ATOM 0 HD2 HIS A 44 9.952 7.643 -0.300 1.00 0.41 H new ATOM 0 HE1 HIS A 44 7.027 10.281 -1.805 1.00 0.40 H new ATOM 757 N PRO A 45 11.352 11.240 1.216 1.00 0.44 N ATOM 758 CA PRO A 45 11.566 12.607 0.737 1.00 0.53 C ATOM 759 C PRO A 45 10.364 13.135 -0.046 1.00 0.62 C ATOM 760 O PRO A 45 10.010 12.612 -1.102 1.00 1.11 O ATOM 761 CB PRO A 45 12.797 12.489 -0.167 1.00 0.58 C ATOM 762 CG PRO A 45 12.842 11.060 -0.583 1.00 0.56 C ATOM 763 CD PRO A 45 12.238 10.269 0.542 1.00 0.44 C ATOM 0 HA PRO A 45 11.702 13.311 1.558 1.00 0.53 H new ATOM 0 HB2 PRO A 45 12.715 13.148 -1.031 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.705 12.773 0.365 1.00 0.58 H new ATOM 0 HG2 PRO A 45 12.285 10.907 -1.507 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.868 10.743 -0.773 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.681 9.408 0.172 1.00 0.44 H new ATOM 0 HD3 PRO A 45 13.002 9.887 1.219 1.00 0.44 H new ATOM 771 N GLY A 46 9.736 14.170 0.484 1.00 0.75 N ATOM 772 CA GLY A 46 8.579 14.745 -0.163 1.00 0.82 C ATOM 773 C GLY A 46 7.517 15.133 0.841 1.00 0.83 C ATOM 774 O GLY A 46 6.803 16.120 0.657 1.00 1.38 O ATOM 0 H GLY A 46 10.009 14.624 1.356 1.00 0.75 H new ATOM 0 HA2 GLY A 46 8.879 15.624 -0.734 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.165 14.029 -0.873 1.00 0.82 H new ATOM 778 N GLY A 47 7.418 14.355 1.909 1.00 0.66 N ATOM 779 CA GLY A 47 6.444 14.638 2.941 1.00 0.67 C ATOM 780 C GLY A 47 5.568 13.445 3.238 1.00 0.60 C ATOM 781 O GLY A 47 5.524 12.494 2.460 1.00 0.64 O ATOM 0 H GLY A 47 7.996 13.532 2.079 1.00 0.66 H new ATOM 0 HA2 GLY A 47 6.960 14.944 3.851 1.00 0.67 H new ATOM 0 HA3 GLY A 47 5.821 15.476 2.630 1.00 0.67 H new ATOM 785 N GLU A 48 4.869 13.493 4.361 1.00 0.61 N ATOM 786 CA GLU A 48 3.991 12.399 4.757 1.00 0.63 C ATOM 787 C GLU A 48 2.577 12.624 4.223 1.00 0.63 C ATOM 788 O GLU A 48 1.821 11.675 4.017 1.00 0.65 O ATOM 789 CB GLU A 48 3.959 12.268 6.282 1.00 0.76 C ATOM 790 CG GLU A 48 3.278 13.436 6.975 1.00 0.95 C ATOM 791 CD GLU A 48 3.291 13.317 8.482 1.00 1.21 C ATOM 792 OE1 GLU A 48 2.760 12.316 9.010 1.00 1.79 O ATOM 793 OE2 GLU A 48 3.836 14.222 9.147 1.00 1.86 O ATOM 0 H GLU A 48 4.891 14.276 5.015 1.00 0.61 H new ATOM 0 HA GLU A 48 4.382 11.475 4.331 1.00 0.63 H new ATOM 0 HB2 GLU A 48 3.443 11.346 6.549 1.00 0.76 H new ATOM 0 HB3 GLU A 48 4.980 12.181 6.653 1.00 0.76 H new ATOM 0 HG2 GLU A 48 3.773 14.363 6.685 1.00 0.95 H new ATOM 0 HG3 GLU A 48 2.246 13.505 6.630 1.00 0.95 H new ATOM 800 N GLU A 49 2.241 13.889 3.986 1.00 0.66 N ATOM 801 CA GLU A 49 0.922 14.270 3.494 1.00 0.74 C ATOM 802 C GLU A 49 0.589 13.550 2.190 1.00 0.68 C ATOM 803 O GLU A 49 -0.476 12.949 2.058 1.00 0.72 O ATOM 804 CB GLU A 49 0.867 15.787 3.291 1.00 0.86 C ATOM 805 CG GLU A 49 -0.520 16.318 2.976 1.00 1.10 C ATOM 806 CD GLU A 49 -1.487 16.160 4.133 1.00 1.32 C ATOM 807 OE1 GLU A 49 -1.170 16.612 5.254 1.00 1.81 O ATOM 808 OE2 GLU A 49 -2.575 15.588 3.929 1.00 1.69 O ATOM 0 H GLU A 49 2.874 14.676 4.129 1.00 0.66 H new ATOM 0 HA GLU A 49 0.179 13.976 4.236 1.00 0.74 H new ATOM 0 HB2 GLU A 49 1.237 16.277 4.192 1.00 0.86 H new ATOM 0 HB3 GLU A 49 1.542 16.059 2.480 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -0.448 17.373 2.710 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -0.915 15.795 2.105 1.00 1.10 H new ATOM 815 N VAL A 50 1.530 13.570 1.255 1.00 0.63 N ATOM 816 CA VAL A 50 1.334 12.941 -0.049 1.00 0.60 C ATOM 817 C VAL A 50 1.248 11.418 0.055 1.00 0.54 C ATOM 818 O VAL A 50 0.848 10.749 -0.894 1.00 0.54 O ATOM 819 CB VAL A 50 2.461 13.316 -1.033 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.416 14.802 -1.358 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.823 12.926 -0.472 1.00 0.62 C ATOM 0 H VAL A 50 2.440 14.016 1.374 1.00 0.63 H new ATOM 0 HA VAL A 50 0.385 13.320 -0.428 1.00 0.60 H new ATOM 0 HB VAL A 50 2.305 12.759 -1.957 1.00 0.64 H new ATOM 0 HG11 VAL A 50 3.219 15.047 -2.053 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.456 15.046 -1.812 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.541 15.379 -0.442 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.602 13.200 -1.184 1.00 0.62 H new ATOM 0 HG22 VAL A 50 3.992 13.448 0.470 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.851 11.850 -0.300 1.00 0.62 H new ATOM 831 N LEU A 51 1.616 10.874 1.206 1.00 0.52 N ATOM 832 CA LEU A 51 1.574 9.433 1.408 1.00 0.50 C ATOM 833 C LEU A 51 0.271 9.011 2.076 1.00 0.53 C ATOM 834 O LEU A 51 -0.339 8.014 1.692 1.00 0.55 O ATOM 835 CB LEU A 51 2.765 8.976 2.249 1.00 0.48 C ATOM 836 CG LEU A 51 4.135 9.198 1.606 1.00 0.46 C ATOM 837 CD1 LEU A 51 5.240 8.855 2.589 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.274 8.369 0.335 1.00 0.47 C ATOM 0 H LEU A 51 1.946 11.406 2.011 1.00 0.52 H new ATOM 0 HA LEU A 51 1.628 8.956 0.429 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.739 9.502 3.204 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.651 7.914 2.467 1.00 0.48 H new ATOM 0 HG LEU A 51 4.223 10.251 1.337 1.00 0.46 H new ATOM 0 HD11 LEU A 51 6.209 9.018 2.118 1.00 0.49 H new ATOM 0 HD12 LEU A 51 5.153 9.491 3.470 1.00 0.49 H new ATOM 0 HD13 LEU A 51 5.152 7.810 2.886 1.00 0.49 H new ATOM 0 HD21 LEU A 51 5.256 8.542 -0.106 1.00 0.47 H new ATOM 0 HD22 LEU A 51 4.166 7.312 0.577 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.500 8.660 -0.376 1.00 0.47 H new ATOM 850 N ARG A 52 -0.168 9.783 3.063 1.00 0.59 N ATOM 851 CA ARG A 52 -1.398 9.463 3.781 1.00 0.66 C ATOM 852 C ARG A 52 -2.631 9.642 2.895 1.00 0.65 C ATOM 853 O ARG A 52 -3.666 9.027 3.141 1.00 0.69 O ATOM 854 CB ARG A 52 -1.527 10.290 5.072 1.00 0.79 C ATOM 855 CG ARG A 52 -1.306 11.788 4.902 1.00 0.97 C ATOM 856 CD ARG A 52 -2.577 12.514 4.482 1.00 1.22 C ATOM 857 NE ARG A 52 -3.687 12.274 5.405 1.00 1.50 N ATOM 858 CZ ARG A 52 -4.619 13.180 5.709 1.00 1.90 C ATOM 859 NH1 ARG A 52 -4.533 14.419 5.236 1.00 2.00 N ATOM 860 NH2 ARG A 52 -5.630 12.852 6.503 1.00 2.61 N ATOM 0 H ARG A 52 0.304 10.629 3.383 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.341 8.411 4.061 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -2.521 10.130 5.490 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.810 9.913 5.801 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -0.943 12.208 5.840 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -0.530 11.956 4.155 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -2.379 13.584 4.426 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -2.863 12.190 3.481 1.00 1.22 H new ATOM 0 HE ARG A 52 -3.753 11.356 5.844 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -3.751 14.683 4.636 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -5.249 15.106 5.472 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -5.695 11.907 6.882 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -6.342 13.545 6.735 1.00 2.61 H new ATOM 874 N GLU A 53 -2.520 10.463 1.852 1.00 0.64 N ATOM 875 CA GLU A 53 -3.649 10.689 0.951 1.00 0.68 C ATOM 876 C GLU A 53 -3.739 9.575 -0.092 1.00 0.65 C ATOM 877 O GLU A 53 -4.615 9.580 -0.958 1.00 0.78 O ATOM 878 CB GLU A 53 -3.554 12.065 0.279 1.00 0.72 C ATOM 879 CG GLU A 53 -2.308 12.267 -0.571 1.00 0.67 C ATOM 880 CD GLU A 53 -2.213 13.674 -1.133 1.00 0.81 C ATOM 881 OE1 GLU A 53 -2.827 13.943 -2.187 1.00 1.35 O ATOM 882 OE2 GLU A 53 -1.536 14.523 -0.516 1.00 1.26 O ATOM 0 H GLU A 53 -1.672 10.977 1.612 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.563 10.673 1.545 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.434 12.211 -0.348 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -3.581 12.835 1.050 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.423 12.058 0.031 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.311 11.550 -1.392 1.00 0.67 H new ATOM 889 N GLN A 54 -2.819 8.623 -0.007 1.00 0.57 N ATOM 890 CA GLN A 54 -2.793 7.489 -0.923 1.00 0.58 C ATOM 891 C GLN A 54 -2.832 6.185 -0.129 1.00 0.57 C ATOM 892 O GLN A 54 -2.701 5.094 -0.682 1.00 0.60 O ATOM 893 CB GLN A 54 -1.535 7.535 -1.799 1.00 0.57 C ATOM 894 CG GLN A 54 -1.313 8.874 -2.489 1.00 0.64 C ATOM 895 CD GLN A 54 -2.118 9.027 -3.766 1.00 0.81 C ATOM 896 OE1 GLN A 54 -1.625 8.752 -4.861 1.00 1.13 O ATOM 897 NE2 GLN A 54 -3.359 9.469 -3.639 1.00 0.96 N ATOM 0 H GLN A 54 -2.076 8.614 0.692 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.667 7.541 -1.572 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.666 7.307 -1.182 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.603 6.754 -2.556 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.577 9.678 -1.802 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -0.253 8.986 -2.719 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -3.731 9.686 -2.714 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -3.943 9.593 -4.466 1.00 0.96 H new ATOM 906 N ALA A 55 -3.031 6.318 1.177 1.00 0.58 N ATOM 907 CA ALA A 55 -3.080 5.174 2.075 1.00 0.60 C ATOM 908 C ALA A 55 -4.350 4.362 1.869 1.00 0.61 C ATOM 909 O ALA A 55 -5.454 4.906 1.871 1.00 0.68 O ATOM 910 CB ALA A 55 -2.984 5.640 3.519 1.00 0.65 C ATOM 0 H ALA A 55 -3.162 7.217 1.640 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.230 4.530 1.848 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -3.022 4.777 4.183 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -2.044 6.172 3.668 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.817 6.306 3.742 1.00 0.65 H new ATOM 916 N GLY A 56 -4.185 3.060 1.692 1.00 0.59 N ATOM 917 CA GLY A 56 -5.324 2.186 1.491 1.00 0.64 C ATOM 918 C GLY A 56 -5.739 2.092 0.038 1.00 0.62 C ATOM 919 O GLY A 56 -6.775 1.508 -0.280 1.00 0.66 O ATOM 0 H GLY A 56 -3.279 2.591 1.684 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -5.082 1.190 1.861 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -6.165 2.550 2.082 1.00 0.64 H new ATOM 923 N GLY A 57 -4.933 2.661 -0.845 1.00 0.63 N ATOM 924 CA GLY A 57 -5.243 2.622 -2.258 1.00 0.65 C ATOM 925 C GLY A 57 -4.017 2.377 -3.109 1.00 0.59 C ATOM 926 O GLY A 57 -2.909 2.249 -2.586 1.00 0.55 O ATOM 0 H GLY A 57 -4.069 3.149 -0.608 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -5.975 1.837 -2.445 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.704 3.565 -2.552 1.00 0.65 H new ATOM 930 N ASP A 58 -4.213 2.302 -4.418 1.00 0.65 N ATOM 931 CA ASP A 58 -3.111 2.073 -5.343 1.00 0.62 C ATOM 932 C ASP A 58 -2.616 3.394 -5.905 1.00 0.61 C ATOM 933 O ASP A 58 -3.404 4.207 -6.395 1.00 0.71 O ATOM 934 CB ASP A 58 -3.541 1.141 -6.480 1.00 0.69 C ATOM 935 CG ASP A 58 -2.413 0.838 -7.455 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.087 1.711 -8.286 1.00 1.51 O ATOM 937 OD2 ASP A 58 -1.848 -0.277 -7.403 1.00 1.32 O ATOM 0 H ASP A 58 -5.125 2.396 -4.864 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.298 1.594 -4.797 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -3.910 0.207 -6.057 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.371 1.595 -7.022 1.00 0.69 H new ATOM 942 N ALA A 59 -1.314 3.606 -5.824 1.00 0.55 N ATOM 943 CA ALA A 59 -0.707 4.831 -6.316 1.00 0.57 C ATOM 944 C ALA A 59 0.300 4.535 -7.419 1.00 0.54 C ATOM 945 O ALA A 59 1.302 5.239 -7.564 1.00 0.54 O ATOM 946 CB ALA A 59 -0.043 5.592 -5.178 1.00 0.60 C ATOM 0 H ALA A 59 -0.654 2.942 -5.420 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.496 5.455 -6.736 1.00 0.57 H new ATOM 0 HB1 ALA A 59 0.406 6.507 -5.565 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -0.790 5.845 -4.425 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.731 4.970 -4.727 1.00 0.60 H new ATOM 952 N THR A 60 0.029 3.494 -8.198 1.00 0.56 N ATOM 953 CA THR A 60 0.907 3.102 -9.293 1.00 0.57 C ATOM 954 C THR A 60 1.116 4.251 -10.271 1.00 0.57 C ATOM 955 O THR A 60 2.249 4.572 -10.620 1.00 0.58 O ATOM 956 CB THR A 60 0.356 1.877 -10.049 1.00 0.64 C ATOM 957 OG1 THR A 60 0.249 0.773 -9.148 1.00 0.67 O ATOM 958 CG2 THR A 60 1.251 1.500 -11.225 1.00 0.71 C ATOM 0 H THR A 60 -0.796 2.904 -8.090 1.00 0.56 H new ATOM 0 HA THR A 60 1.866 2.836 -8.849 1.00 0.57 H new ATOM 0 HB THR A 60 -0.627 2.131 -10.445 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.694 0.618 -8.931 1.00 0.67 H new ATOM 0 HG21 THR A 60 0.834 0.633 -11.736 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.310 2.337 -11.920 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.250 1.260 -10.860 1.00 0.71 H new ATOM 966 N GLU A 61 0.024 4.893 -10.675 1.00 0.62 N ATOM 967 CA GLU A 61 0.099 6.002 -11.617 1.00 0.67 C ATOM 968 C GLU A 61 0.973 7.127 -11.070 1.00 0.63 C ATOM 969 O GLU A 61 1.713 7.760 -11.812 1.00 0.74 O ATOM 970 CB GLU A 61 -1.300 6.528 -11.951 1.00 0.78 C ATOM 971 CG GLU A 61 -2.109 6.972 -10.745 1.00 0.83 C ATOM 972 CD GLU A 61 -3.470 7.496 -11.146 1.00 1.06 C ATOM 973 OE1 GLU A 61 -3.550 8.657 -11.594 1.00 1.64 O ATOM 974 OE2 GLU A 61 -4.464 6.745 -11.034 1.00 1.48 O ATOM 0 H GLU A 61 -0.920 4.664 -10.365 1.00 0.62 H new ATOM 0 HA GLU A 61 0.556 5.630 -12.534 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -1.204 7.369 -12.638 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -1.852 5.748 -12.476 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.230 6.134 -10.059 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -1.564 7.748 -10.207 1.00 0.83 H new ATOM 981 N ASN A 62 0.901 7.342 -9.760 1.00 0.56 N ATOM 982 CA ASN A 62 1.680 8.385 -9.105 1.00 0.55 C ATOM 983 C ASN A 62 3.161 8.009 -9.087 1.00 0.50 C ATOM 984 O ASN A 62 4.038 8.851 -9.280 1.00 0.50 O ATOM 985 CB ASN A 62 1.169 8.591 -7.673 1.00 0.58 C ATOM 986 CG ASN A 62 1.278 10.030 -7.206 1.00 0.82 C ATOM 987 OD1 ASN A 62 2.140 10.780 -7.658 1.00 1.28 O ATOM 988 ND2 ASN A 62 0.402 10.428 -6.292 1.00 1.32 N ATOM 0 H ASN A 62 0.307 6.804 -9.129 1.00 0.56 H new ATOM 0 HA ASN A 62 1.566 9.315 -9.662 1.00 0.55 H new ATOM 0 HB2 ASN A 62 0.128 8.274 -7.616 1.00 0.58 H new ATOM 0 HB3 ASN A 62 1.735 7.951 -6.996 1.00 0.58 H new ATOM 0 HD21 ASN A 62 0.430 11.385 -5.941 1.00 1.32 H new ATOM 0 HD22 ASN A 62 -0.300 9.777 -5.940 1.00 1.32 H new ATOM 995 N PHE A 63 3.419 6.724 -8.885 1.00 0.48 N ATOM 996 CA PHE A 63 4.776 6.190 -8.828 1.00 0.46 C ATOM 997 C PHE A 63 5.489 6.345 -10.174 1.00 0.49 C ATOM 998 O PHE A 63 6.629 6.818 -10.232 1.00 0.50 O ATOM 999 CB PHE A 63 4.721 4.710 -8.424 1.00 0.48 C ATOM 1000 CG PHE A 63 6.008 4.163 -7.875 1.00 0.51 C ATOM 1001 CD1 PHE A 63 6.320 4.318 -6.534 1.00 0.63 C ATOM 1002 CD2 PHE A 63 6.899 3.487 -8.694 1.00 0.70 C ATOM 1003 CE1 PHE A 63 7.497 3.810 -6.020 1.00 0.76 C ATOM 1004 CE2 PHE A 63 8.079 2.976 -8.185 1.00 0.77 C ATOM 1005 CZ PHE A 63 8.379 3.139 -6.846 1.00 0.73 C ATOM 0 H PHE A 63 2.693 6.020 -8.756 1.00 0.48 H new ATOM 0 HA PHE A 63 5.342 6.753 -8.086 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.938 4.580 -7.677 1.00 0.48 H new ATOM 0 HB3 PHE A 63 4.433 4.120 -9.294 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.635 4.842 -5.883 1.00 0.63 H new ATOM 0 HD2 PHE A 63 6.669 3.358 -9.741 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.728 3.937 -4.973 1.00 0.76 H new ATOM 0 HE2 PHE A 63 8.765 2.450 -8.833 1.00 0.77 H new ATOM 0 HZ PHE A 63 9.301 2.743 -6.446 1.00 0.73 H new ATOM 1015 N GLU A 64 4.805 5.966 -11.250 1.00 0.53 N ATOM 1016 CA GLU A 64 5.381 6.043 -12.593 1.00 0.58 C ATOM 1017 C GLU A 64 5.429 7.486 -13.096 1.00 0.57 C ATOM 1018 O GLU A 64 6.384 7.881 -13.765 1.00 0.65 O ATOM 1019 CB GLU A 64 4.579 5.192 -13.590 1.00 0.69 C ATOM 1020 CG GLU A 64 3.941 3.944 -12.996 1.00 1.08 C ATOM 1021 CD GLU A 64 4.930 2.833 -12.708 1.00 1.47 C ATOM 1022 OE1 GLU A 64 5.255 2.062 -13.636 1.00 1.89 O ATOM 1023 OE2 GLU A 64 5.371 2.702 -11.548 1.00 1.88 O ATOM 0 H GLU A 64 3.852 5.603 -11.220 1.00 0.53 H new ATOM 0 HA GLU A 64 6.397 5.655 -12.524 1.00 0.58 H new ATOM 0 HB2 GLU A 64 3.795 5.811 -14.026 1.00 0.69 H new ATOM 0 HB3 GLU A 64 5.239 4.893 -14.404 1.00 0.69 H new ATOM 0 HG2 GLU A 64 3.430 4.213 -12.071 1.00 1.08 H new ATOM 0 HG3 GLU A 64 3.181 3.573 -13.684 1.00 1.08 H new ATOM 1030 N ASP A 65 4.393 8.258 -12.771 1.00 0.54 N ATOM 1031 CA ASP A 65 4.292 9.657 -13.199 1.00 0.55 C ATOM 1032 C ASP A 65 5.494 10.475 -12.746 1.00 0.53 C ATOM 1033 O ASP A 65 6.194 11.075 -13.564 1.00 0.58 O ATOM 1034 CB ASP A 65 3.009 10.284 -12.641 1.00 0.57 C ATOM 1035 CG ASP A 65 2.787 11.704 -13.117 1.00 0.69 C ATOM 1036 OD1 ASP A 65 3.362 12.638 -12.524 1.00 0.79 O ATOM 1037 OD2 ASP A 65 2.020 11.895 -14.086 1.00 0.88 O ATOM 0 H ASP A 65 3.605 7.937 -12.208 1.00 0.54 H new ATOM 0 HA ASP A 65 4.268 9.666 -14.289 1.00 0.55 H new ATOM 0 HB2 ASP A 65 2.156 9.672 -12.933 1.00 0.57 H new ATOM 0 HB3 ASP A 65 3.051 10.274 -11.552 1.00 0.57 H new ATOM 1042 N VAL A 66 5.729 10.487 -11.443 1.00 0.50 N ATOM 1043 CA VAL A 66 6.836 11.238 -10.868 1.00 0.52 C ATOM 1044 C VAL A 66 8.181 10.670 -11.317 1.00 0.50 C ATOM 1045 O VAL A 66 9.095 11.416 -11.668 1.00 0.55 O ATOM 1046 CB VAL A 66 6.766 11.239 -9.324 1.00 0.56 C ATOM 1047 CG1 VAL A 66 7.998 11.903 -8.725 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.500 11.938 -8.850 1.00 0.60 C ATOM 0 H VAL A 66 5.165 9.982 -10.760 1.00 0.50 H new ATOM 0 HA VAL A 66 6.749 12.264 -11.227 1.00 0.52 H new ATOM 0 HB VAL A 66 6.740 10.204 -8.984 1.00 0.56 H new ATOM 0 HG11 VAL A 66 7.925 11.891 -7.638 1.00 0.67 H new ATOM 0 HG12 VAL A 66 8.891 11.360 -9.035 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.061 12.934 -9.073 1.00 0.67 H new ATOM 0 HG21 VAL A 66 5.466 11.930 -7.761 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.498 12.968 -9.206 1.00 0.60 H new ATOM 0 HG23 VAL A 66 4.627 11.417 -9.244 1.00 0.60 H new ATOM 1058 N GLY A 67 8.290 9.350 -11.326 1.00 0.50 N ATOM 1059 CA GLY A 67 9.531 8.719 -11.723 1.00 0.54 C ATOM 1060 C GLY A 67 10.424 8.463 -10.530 1.00 0.54 C ATOM 1061 O GLY A 67 10.744 9.384 -9.776 1.00 0.82 O ATOM 0 H GLY A 67 7.543 8.706 -11.066 1.00 0.50 H new ATOM 0 HA2 GLY A 67 9.317 7.777 -12.228 1.00 0.54 H new ATOM 0 HA3 GLY A 67 10.051 9.354 -12.440 1.00 0.54 H new ATOM 1065 N HIS A 68 10.823 7.218 -10.355 1.00 0.45 N ATOM 1066 CA HIS A 68 11.669 6.842 -9.233 1.00 0.42 C ATOM 1067 C HIS A 68 12.990 6.264 -9.712 1.00 0.47 C ATOM 1068 O HIS A 68 13.126 5.871 -10.872 1.00 0.58 O ATOM 1069 CB HIS A 68 10.945 5.833 -8.340 1.00 0.39 C ATOM 1070 CG HIS A 68 9.933 6.456 -7.432 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.703 6.927 -7.849 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.989 6.684 -6.099 1.00 0.41 C ATOM 1073 CE1 HIS A 68 8.071 7.419 -6.775 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.808 7.293 -5.691 1.00 0.40 N ATOM 0 H HIS A 68 10.576 6.447 -10.975 1.00 0.45 H new ATOM 0 HA HIS A 68 11.882 7.741 -8.655 1.00 0.42 H new ATOM 0 HB2 HIS A 68 10.450 5.093 -8.969 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.681 5.299 -7.739 1.00 0.39 H new ATOM 0 HD1 HIS A 68 8.341 6.904 -8.802 1.00 0.35 H new ATOM 0 HD2 HIS A 68 10.819 6.433 -5.455 1.00 0.41 H new ATOM 0 HE1 HIS A 68 7.086 7.861 -6.796 1.00 0.35 H new ATOM 1082 N SER A 69 13.961 6.223 -8.813 1.00 0.45 N ATOM 1083 CA SER A 69 15.273 5.694 -9.127 1.00 0.50 C ATOM 1084 C SER A 69 15.296 4.181 -8.951 1.00 0.50 C ATOM 1085 O SER A 69 14.394 3.607 -8.330 1.00 0.46 O ATOM 1086 CB SER A 69 16.317 6.349 -8.223 1.00 0.55 C ATOM 1087 OG SER A 69 15.792 6.568 -6.923 1.00 1.01 O ATOM 0 H SER A 69 13.860 6.553 -7.853 1.00 0.45 H new ATOM 0 HA SER A 69 15.507 5.919 -10.168 1.00 0.50 H new ATOM 0 HB2 SER A 69 17.201 5.714 -8.161 1.00 0.55 H new ATOM 0 HB3 SER A 69 16.636 7.297 -8.656 1.00 0.55 H new ATOM 0 HG SER A 69 15.256 7.389 -6.921 1.00 1.01 H new ATOM 1093 N THR A 70 16.319 3.533 -9.500 1.00 0.59 N ATOM 1094 CA THR A 70 16.457 2.091 -9.387 1.00 0.64 C ATOM 1095 C THR A 70 16.606 1.682 -7.923 1.00 0.61 C ATOM 1096 O THR A 70 16.039 0.683 -7.485 1.00 0.66 O ATOM 1097 CB THR A 70 17.670 1.581 -10.189 1.00 0.78 C ATOM 1098 OG1 THR A 70 17.774 2.302 -11.428 1.00 0.89 O ATOM 1099 CG2 THR A 70 17.540 0.090 -10.470 1.00 1.08 C ATOM 0 H THR A 70 17.064 3.988 -10.028 1.00 0.59 H new ATOM 0 HA THR A 70 15.554 1.641 -9.799 1.00 0.64 H new ATOM 0 HB THR A 70 18.570 1.746 -9.597 1.00 0.78 H new ATOM 0 HG1 THR A 70 18.548 1.975 -11.933 1.00 0.89 H new ATOM 0 HG21 THR A 70 18.406 -0.250 -11.037 1.00 1.08 H new ATOM 0 HG22 THR A 70 17.487 -0.455 -9.527 1.00 1.08 H new ATOM 0 HG23 THR A 70 16.634 -0.094 -11.047 1.00 1.08 H new ATOM 1107 N ASP A 71 17.350 2.477 -7.165 1.00 0.60 N ATOM 1108 CA ASP A 71 17.563 2.203 -5.747 1.00 0.61 C ATOM 1109 C ASP A 71 16.253 2.321 -4.976 1.00 0.54 C ATOM 1110 O ASP A 71 15.971 1.525 -4.082 1.00 0.56 O ATOM 1111 CB ASP A 71 18.600 3.168 -5.164 1.00 0.70 C ATOM 1112 CG ASP A 71 18.928 2.857 -3.716 1.00 0.97 C ATOM 1113 OD1 ASP A 71 19.701 1.906 -3.469 1.00 1.38 O ATOM 1114 OD2 ASP A 71 18.417 3.561 -2.817 1.00 1.29 O ATOM 0 H ASP A 71 17.817 3.317 -7.507 1.00 0.60 H new ATOM 0 HA ASP A 71 17.937 1.184 -5.650 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.512 3.120 -5.759 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.225 4.189 -5.238 1.00 0.70 H new ATOM 1119 N ALA A 72 15.442 3.303 -5.360 1.00 0.48 N ATOM 1120 CA ALA A 72 14.158 3.551 -4.712 1.00 0.44 C ATOM 1121 C ALA A 72 13.202 2.375 -4.895 1.00 0.42 C ATOM 1122 O ALA A 72 12.633 1.877 -3.926 1.00 0.43 O ATOM 1123 CB ALA A 72 13.530 4.827 -5.256 1.00 0.47 C ATOM 0 H ALA A 72 15.654 3.945 -6.124 1.00 0.48 H new ATOM 0 HA ALA A 72 14.342 3.670 -3.644 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.573 5.000 -4.764 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.194 5.670 -5.064 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.373 4.726 -6.330 1.00 0.47 H new ATOM 1129 N ARG A 73 13.044 1.918 -6.138 1.00 0.44 N ATOM 1130 CA ARG A 73 12.139 0.805 -6.427 1.00 0.48 C ATOM 1131 C ARG A 73 12.614 -0.483 -5.752 1.00 0.49 C ATOM 1132 O ARG A 73 11.804 -1.347 -5.403 1.00 0.56 O ATOM 1133 CB ARG A 73 11.968 0.600 -7.942 1.00 0.54 C ATOM 1134 CG ARG A 73 13.271 0.470 -8.712 1.00 0.68 C ATOM 1135 CD ARG A 73 13.498 -0.950 -9.201 1.00 0.74 C ATOM 1136 NE ARG A 73 12.504 -1.356 -10.193 1.00 0.90 N ATOM 1137 CZ ARG A 73 12.186 -2.625 -10.461 1.00 1.08 C ATOM 1138 NH1 ARG A 73 12.774 -3.620 -9.802 1.00 1.08 N ATOM 1139 NH2 ARG A 73 11.270 -2.900 -11.381 1.00 1.36 N ATOM 0 H ARG A 73 13.526 2.297 -6.953 1.00 0.44 H new ATOM 0 HA ARG A 73 11.163 1.061 -6.014 1.00 0.48 H new ATOM 0 HB2 ARG A 73 11.371 -0.297 -8.109 1.00 0.54 H new ATOM 0 HB3 ARG A 73 11.403 1.439 -8.348 1.00 0.54 H new ATOM 0 HG2 ARG A 73 13.259 1.150 -9.564 1.00 0.68 H new ATOM 0 HG3 ARG A 73 14.102 0.772 -8.074 1.00 0.68 H new ATOM 0 HD2 ARG A 73 14.495 -1.029 -9.634 1.00 0.74 H new ATOM 0 HD3 ARG A 73 13.464 -1.635 -8.353 1.00 0.74 H new ATOM 0 HE ARG A 73 12.022 -0.623 -10.714 1.00 0.90 H new ATOM 0 HH11 ARG A 73 13.472 -3.416 -9.087 1.00 1.08 H new ATOM 0 HH12 ARG A 73 12.526 -4.587 -10.012 1.00 1.08 H new ATOM 0 HH21 ARG A 73 10.809 -2.142 -11.884 1.00 1.36 H new ATOM 0 HH22 ARG A 73 11.027 -3.869 -11.585 1.00 1.36 H new ATOM 1153 N GLU A 74 13.923 -0.607 -5.557 1.00 0.47 N ATOM 1154 CA GLU A 74 14.483 -1.783 -4.901 1.00 0.51 C ATOM 1155 C GLU A 74 14.315 -1.678 -3.387 1.00 0.49 C ATOM 1156 O GLU A 74 14.278 -2.685 -2.684 1.00 0.55 O ATOM 1157 CB GLU A 74 15.961 -1.961 -5.257 1.00 0.57 C ATOM 1158 CG GLU A 74 16.197 -2.376 -6.703 1.00 0.65 C ATOM 1159 CD GLU A 74 15.367 -3.581 -7.106 1.00 0.75 C ATOM 1160 OE1 GLU A 74 14.231 -3.394 -7.586 1.00 0.84 O ATOM 1161 OE2 GLU A 74 15.843 -4.723 -6.946 1.00 1.01 O ATOM 0 H GLU A 74 14.613 0.088 -5.842 1.00 0.47 H new ATOM 0 HA GLU A 74 13.939 -2.658 -5.257 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.487 -1.025 -5.066 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.397 -2.711 -4.597 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.960 -1.540 -7.361 1.00 0.65 H new ATOM 0 HG3 GLU A 74 17.254 -2.603 -6.844 1.00 0.65 H new ATOM 1168 N LEU A 75 14.207 -0.453 -2.891 1.00 0.47 N ATOM 1169 CA LEU A 75 14.025 -0.221 -1.466 1.00 0.48 C ATOM 1170 C LEU A 75 12.641 -0.690 -1.036 1.00 0.43 C ATOM 1171 O LEU A 75 12.473 -1.282 0.029 1.00 0.44 O ATOM 1172 CB LEU A 75 14.216 1.265 -1.146 1.00 0.53 C ATOM 1173 CG LEU A 75 13.949 1.672 0.306 1.00 0.56 C ATOM 1174 CD1 LEU A 75 14.843 0.896 1.260 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.155 3.169 0.488 1.00 0.61 C ATOM 0 H LEU A 75 14.242 0.396 -3.456 1.00 0.47 H new ATOM 0 HA LEU A 75 14.772 -0.791 -0.913 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.239 1.544 -1.400 1.00 0.53 H new ATOM 0 HB3 LEU A 75 13.558 1.845 -1.793 1.00 0.53 H new ATOM 0 HG LEU A 75 12.911 1.432 0.538 1.00 0.56 H new ATOM 0 HD11 LEU A 75 14.634 1.203 2.285 1.00 0.65 H new ATOM 0 HD12 LEU A 75 14.648 -0.171 1.154 1.00 0.65 H new ATOM 0 HD13 LEU A 75 15.888 1.099 1.026 1.00 0.65 H new ATOM 0 HD21 LEU A 75 13.961 3.439 1.526 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.182 3.429 0.231 1.00 0.61 H new ATOM 0 HD23 LEU A 75 13.470 3.712 -0.163 1.00 0.61 H new ATOM 1187 N SER A 76 11.655 -0.452 -1.887 1.00 0.45 N ATOM 1188 CA SER A 76 10.286 -0.855 -1.600 1.00 0.46 C ATOM 1189 C SER A 76 10.132 -2.376 -1.627 1.00 0.43 C ATOM 1190 O SER A 76 9.132 -2.916 -1.161 1.00 0.45 O ATOM 1191 CB SER A 76 9.343 -0.210 -2.613 1.00 0.55 C ATOM 1192 OG SER A 76 10.044 0.139 -3.795 1.00 0.82 O ATOM 0 H SER A 76 11.777 0.019 -2.784 1.00 0.45 H new ATOM 0 HA SER A 76 10.032 -0.517 -0.595 1.00 0.46 H new ATOM 0 HB2 SER A 76 8.533 -0.899 -2.854 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.887 0.679 -2.178 1.00 0.55 H new ATOM 0 HG SER A 76 10.552 -0.636 -4.115 1.00 0.82 H new ATOM 1198 N LYS A 77 11.145 -3.062 -2.142 1.00 0.45 N ATOM 1199 CA LYS A 77 11.124 -4.516 -2.251 1.00 0.51 C ATOM 1200 C LYS A 77 11.130 -5.185 -0.877 1.00 0.47 C ATOM 1201 O LYS A 77 10.725 -6.337 -0.736 1.00 0.56 O ATOM 1202 CB LYS A 77 12.329 -4.987 -3.068 1.00 0.63 C ATOM 1203 CG LYS A 77 12.219 -6.418 -3.565 1.00 0.94 C ATOM 1204 CD LYS A 77 13.465 -6.828 -4.333 1.00 1.20 C ATOM 1205 CE LYS A 77 13.287 -8.175 -5.013 1.00 1.60 C ATOM 1206 NZ LYS A 77 14.464 -8.522 -5.853 1.00 1.89 N ATOM 0 H LYS A 77 11.999 -2.630 -2.494 1.00 0.45 H new ATOM 0 HA LYS A 77 10.201 -4.804 -2.755 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.455 -4.325 -3.925 1.00 0.63 H new ATOM 0 HB3 LYS A 77 13.227 -4.894 -2.458 1.00 0.63 H new ATOM 0 HG2 LYS A 77 12.072 -7.090 -2.719 1.00 0.94 H new ATOM 0 HG3 LYS A 77 11.343 -6.517 -4.207 1.00 0.94 H new ATOM 0 HD2 LYS A 77 13.697 -6.070 -5.081 1.00 1.20 H new ATOM 0 HD3 LYS A 77 14.314 -6.874 -3.651 1.00 1.20 H new ATOM 0 HE2 LYS A 77 13.137 -8.947 -4.259 1.00 1.60 H new ATOM 0 HE3 LYS A 77 12.390 -8.155 -5.632 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 14.309 -9.447 -6.302 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 14.592 -7.797 -6.588 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 15.315 -8.565 -5.257 1.00 1.89 H new ATOM 1220 N THR A 78 11.583 -4.469 0.142 1.00 0.42 N ATOM 1221 CA THR A 78 11.622 -5.030 1.481 1.00 0.48 C ATOM 1222 C THR A 78 10.385 -4.622 2.288 1.00 0.43 C ATOM 1223 O THR A 78 10.284 -4.918 3.478 1.00 0.53 O ATOM 1224 CB THR A 78 12.908 -4.629 2.241 1.00 0.59 C ATOM 1225 OG1 THR A 78 12.977 -5.331 3.490 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.956 -3.129 2.499 1.00 0.63 C ATOM 0 H THR A 78 11.924 -3.511 0.068 1.00 0.42 H new ATOM 0 HA THR A 78 11.625 -6.114 1.367 1.00 0.48 H new ATOM 0 HB THR A 78 13.761 -4.897 1.618 1.00 0.59 H new ATOM 0 HG1 THR A 78 12.089 -5.350 3.904 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.872 -2.881 3.035 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.936 -2.596 1.549 1.00 0.63 H new ATOM 0 HG23 THR A 78 12.094 -2.835 3.099 1.00 0.63 H new ATOM 1234 N PHE A 79 9.439 -3.957 1.631 1.00 0.36 N ATOM 1235 CA PHE A 79 8.215 -3.522 2.293 1.00 0.38 C ATOM 1236 C PHE A 79 7.033 -4.379 1.851 1.00 0.32 C ATOM 1237 O PHE A 79 5.890 -4.119 2.225 1.00 0.33 O ATOM 1238 CB PHE A 79 7.921 -2.049 1.985 1.00 0.46 C ATOM 1239 CG PHE A 79 9.025 -1.099 2.369 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.803 -1.328 3.491 1.00 1.10 C ATOM 1241 CD2 PHE A 79 9.282 0.025 1.603 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.812 -0.454 3.844 1.00 1.16 C ATOM 1243 CE2 PHE A 79 10.291 0.906 1.954 1.00 1.01 C ATOM 1244 CZ PHE A 79 11.057 0.663 3.075 1.00 0.70 C ATOM 0 H PHE A 79 9.497 -3.709 0.643 1.00 0.36 H new ATOM 0 HA PHE A 79 8.360 -3.636 3.367 1.00 0.38 H new ATOM 0 HB2 PHE A 79 7.725 -1.946 0.918 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.009 -1.757 2.506 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.618 -2.202 4.098 1.00 1.10 H new ATOM 0 HD2 PHE A 79 8.689 0.217 0.721 1.00 0.96 H new ATOM 0 HE1 PHE A 79 11.409 -0.646 4.723 1.00 1.16 H new ATOM 0 HE2 PHE A 79 10.478 1.782 1.351 1.00 1.01 H new ATOM 0 HZ PHE A 79 11.847 1.346 3.349 1.00 0.70 H new ATOM 1254 N ILE A 80 7.313 -5.400 1.050 1.00 0.38 N ATOM 1255 CA ILE A 80 6.267 -6.282 0.551 1.00 0.36 C ATOM 1256 C ILE A 80 5.753 -7.204 1.654 1.00 0.33 C ATOM 1257 O ILE A 80 6.517 -7.945 2.276 1.00 0.42 O ATOM 1258 CB ILE A 80 6.753 -7.121 -0.663 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.619 -8.001 -1.202 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.964 -7.973 -0.299 1.00 0.58 C ATOM 1261 CD1 ILE A 80 4.508 -7.222 -1.872 1.00 0.72 C ATOM 0 H ILE A 80 8.253 -5.637 0.733 1.00 0.38 H new ATOM 0 HA ILE A 80 5.447 -5.646 0.216 1.00 0.36 H new ATOM 0 HB ILE A 80 7.056 -6.426 -1.447 1.00 0.46 H new ATOM 0 HG12 ILE A 80 6.032 -8.713 -1.916 1.00 0.46 H new ATOM 0 HG13 ILE A 80 5.199 -8.581 -0.380 1.00 0.46 H new ATOM 0 HG21 ILE A 80 8.279 -8.548 -1.170 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.780 -7.326 0.024 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.700 -8.655 0.509 1.00 0.58 H new ATOM 0 HD11 ILE A 80 3.743 -7.912 -2.227 1.00 0.72 H new ATOM 0 HD12 ILE A 80 4.067 -6.529 -1.156 1.00 0.72 H new ATOM 0 HD13 ILE A 80 4.913 -6.663 -2.716 1.00 0.72 H new ATOM 1273 N ILE A 81 4.458 -7.124 1.919 1.00 0.28 N ATOM 1274 CA ILE A 81 3.842 -7.957 2.940 1.00 0.32 C ATOM 1275 C ILE A 81 2.824 -8.914 2.330 1.00 0.29 C ATOM 1276 O ILE A 81 2.526 -9.970 2.900 1.00 0.31 O ATOM 1277 CB ILE A 81 3.164 -7.116 4.043 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.310 -6.000 3.433 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.215 -6.538 4.981 1.00 0.43 C ATOM 1280 CD1 ILE A 81 1.432 -5.290 4.440 1.00 0.77 C ATOM 0 H ILE A 81 3.815 -6.492 1.442 1.00 0.28 H new ATOM 0 HA ILE A 81 4.647 -8.534 3.396 1.00 0.32 H new ATOM 0 HB ILE A 81 2.504 -7.767 4.616 1.00 0.42 H new ATOM 0 HG12 ILE A 81 2.966 -5.271 2.957 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.681 -6.422 2.649 1.00 0.50 H new ATOM 0 HG21 ILE A 81 3.726 -5.947 5.755 1.00 0.43 H new ATOM 0 HG22 ILE A 81 4.775 -7.350 5.444 1.00 0.43 H new ATOM 0 HG23 ILE A 81 4.897 -5.903 4.416 1.00 0.43 H new ATOM 0 HD11 ILE A 81 0.856 -4.513 3.937 1.00 0.77 H new ATOM 0 HD12 ILE A 81 0.751 -6.007 4.898 1.00 0.77 H new ATOM 0 HD13 ILE A 81 2.055 -4.838 5.211 1.00 0.77 H new ATOM 1292 N GLY A 82 2.294 -8.554 1.165 1.00 0.32 N ATOM 1293 CA GLY A 82 1.325 -9.405 0.515 1.00 0.35 C ATOM 1294 C GLY A 82 0.707 -8.776 -0.715 1.00 0.31 C ATOM 1295 O GLY A 82 1.162 -7.736 -1.192 1.00 0.34 O ATOM 0 H GLY A 82 2.519 -7.694 0.666 1.00 0.32 H new ATOM 0 HA2 GLY A 82 1.805 -10.342 0.233 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.535 -9.652 1.224 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.341 -9.414 -1.209 1.00 0.30 N ATOM 1300 CA GLU A 83 -1.057 -8.957 -2.392 1.00 0.31 C ATOM 1301 C GLU A 83 -2.552 -8.943 -2.111 1.00 0.32 C ATOM 1302 O GLU A 83 -2.974 -9.090 -0.966 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.781 -9.880 -3.585 1.00 0.37 C ATOM 1304 CG GLU A 83 0.654 -9.866 -4.080 1.00 0.61 C ATOM 1305 CD GLU A 83 0.798 -10.558 -5.419 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.542 -9.909 -6.456 1.00 0.72 O ATOM 1307 OE2 GLU A 83 1.160 -11.751 -5.452 1.00 0.86 O ATOM 0 H GLU A 83 -0.722 -10.267 -0.800 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.712 -7.952 -2.635 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -1.045 -10.900 -3.306 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -1.437 -9.595 -4.407 1.00 0.37 H new ATOM 0 HG2 GLU A 83 0.998 -8.835 -4.166 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.295 -10.356 -3.347 1.00 0.61 H new ATOM 1314 N LEU A 84 -3.342 -8.767 -3.159 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.791 -8.760 -3.036 1.00 0.44 C ATOM 1316 C LEU A 84 -5.347 -10.010 -3.702 1.00 0.40 C ATOM 1317 O LEU A 84 -4.684 -10.602 -4.555 1.00 0.39 O ATOM 1318 CB LEU A 84 -5.404 -7.510 -3.689 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.129 -6.169 -2.988 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -5.266 -6.300 -1.480 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -3.754 -5.632 -3.366 1.00 0.87 C ATOM 0 H LEU A 84 -3.001 -8.626 -4.110 1.00 0.38 H new ATOM 0 HA LEU A 84 -5.051 -8.745 -1.978 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -5.035 -7.443 -4.712 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -6.483 -7.650 -3.748 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.877 -5.453 -3.329 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -5.066 -5.336 -1.011 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -6.278 -6.620 -1.233 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -4.552 -7.037 -1.113 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -3.582 -4.683 -2.858 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -2.989 -6.348 -3.066 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.706 -5.480 -4.444 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.555 -10.406 -3.320 1.00 0.45 N ATOM 1334 CA HIS A 85 -7.189 -11.594 -3.894 1.00 0.48 C ATOM 1335 C HIS A 85 -7.321 -11.458 -5.407 1.00 0.42 C ATOM 1336 O HIS A 85 -7.427 -10.348 -5.928 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.586 -11.808 -3.305 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.603 -12.072 -1.836 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -9.205 -11.225 -0.937 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -8.115 -13.107 -1.111 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -9.089 -11.726 0.278 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -8.434 -12.867 0.201 1.00 1.10 N ATOM 0 H HIS A 85 -7.117 -9.926 -2.617 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.555 -12.447 -3.653 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -9.192 -10.926 -3.510 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -9.059 -12.646 -3.818 1.00 0.61 H new ATOM 0 HD1 HIS A 85 -9.668 -10.347 -1.172 1.00 1.22 H new ATOM 0 HD2 HIS A 85 -7.576 -13.961 -1.494 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -9.467 -11.276 1.184 1.00 1.48 H new ATOM 1351 N PRO A 86 -7.304 -12.582 -6.139 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.453 -12.565 -7.595 1.00 0.44 C ATOM 1353 C PRO A 86 -8.775 -11.922 -8.006 1.00 0.40 C ATOM 1354 O PRO A 86 -8.859 -11.223 -9.012 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.421 -14.048 -7.990 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.667 -14.804 -6.727 1.00 0.57 C ATOM 1357 CD PRO A 86 -7.123 -13.949 -5.620 1.00 0.53 C ATOM 0 HA PRO A 86 -6.674 -11.982 -8.086 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -8.184 -14.272 -8.736 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.459 -14.317 -8.427 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.731 -14.993 -6.587 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -7.171 -15.774 -6.750 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.666 -14.102 -4.687 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -6.075 -14.169 -5.418 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.798 -12.131 -7.192 1.00 0.41 N ATOM 1366 CA ASP A 87 -11.119 -11.578 -7.458 1.00 0.43 C ATOM 1367 C ASP A 87 -11.151 -10.090 -7.135 1.00 0.41 C ATOM 1368 O ASP A 87 -11.988 -9.346 -7.649 1.00 0.47 O ATOM 1369 CB ASP A 87 -12.179 -12.314 -6.636 1.00 0.55 C ATOM 1370 CG ASP A 87 -12.021 -13.820 -6.708 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -12.038 -14.373 -7.830 1.00 1.30 O ATOM 1372 OD2 ASP A 87 -11.857 -14.451 -5.643 1.00 1.28 O ATOM 0 H ASP A 87 -9.739 -12.683 -6.336 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.339 -11.710 -8.517 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -12.116 -11.994 -5.596 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -13.170 -12.038 -6.995 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.211 -9.660 -6.302 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.117 -8.260 -5.895 1.00 0.50 C ATOM 1379 C ASP A 88 -9.300 -7.465 -6.907 1.00 0.49 C ATOM 1380 O ASP A 88 -9.211 -6.241 -6.822 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.461 -8.128 -4.507 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.356 -8.574 -3.362 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -11.585 -8.658 -3.552 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -9.827 -8.849 -2.259 1.00 1.20 O ATOM 0 H ASP A 88 -9.498 -10.264 -5.892 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.131 -7.863 -5.848 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.545 -8.718 -4.491 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.174 -7.089 -4.348 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.698 -8.162 -7.869 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.870 -7.499 -8.872 1.00 0.51 C ATOM 1391 C ARG A 89 -8.309 -7.816 -10.304 1.00 0.57 C ATOM 1392 O ARG A 89 -8.153 -6.985 -11.196 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.397 -7.883 -8.684 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.798 -7.390 -7.373 1.00 0.89 C ATOM 1395 CD ARG A 89 -4.289 -7.574 -7.339 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.901 -8.983 -7.344 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.658 -9.419 -7.124 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.684 -8.566 -6.832 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.388 -10.716 -7.178 1.00 0.81 N ATOM 0 H ARG A 89 -8.767 -9.174 -7.974 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.995 -6.426 -8.724 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.305 -8.968 -8.730 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -5.817 -7.478 -9.513 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -6.039 -6.336 -7.237 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -6.249 -7.930 -6.541 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -3.845 -7.074 -8.200 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -3.887 -7.092 -6.448 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.625 -9.677 -7.527 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.881 -7.567 -6.774 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.738 -8.909 -6.666 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -3.130 -11.383 -7.388 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.438 -11.047 -7.010 1.00 0.81 H new ATOM 1413 N SER A 90 -8.856 -9.005 -10.530 1.00 0.50 N ATOM 1414 CA SER A 90 -9.286 -9.388 -11.873 1.00 0.59 C ATOM 1415 C SER A 90 -10.748 -9.841 -11.895 1.00 0.57 C ATOM 1416 O SER A 90 -11.092 -10.842 -12.530 1.00 0.88 O ATOM 1417 CB SER A 90 -8.375 -10.491 -12.428 1.00 0.71 C ATOM 1418 OG SER A 90 -7.728 -11.205 -11.387 1.00 1.16 O ATOM 0 H SER A 90 -9.012 -9.713 -9.813 1.00 0.50 H new ATOM 0 HA SER A 90 -9.207 -8.506 -12.509 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.964 -11.181 -13.032 1.00 0.71 H new ATOM 0 HB3 SER A 90 -7.627 -10.049 -13.087 1.00 0.71 H new ATOM 0 HG SER A 90 -8.388 -11.472 -10.714 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.609 -9.096 -11.212 1.00 0.52 N ATOM 1425 CA LYS A 91 -13.032 -9.418 -11.167 1.00 0.49 C ATOM 1426 C LYS A 91 -13.830 -8.228 -10.644 1.00 0.51 C ATOM 1427 O LYS A 91 -14.633 -7.645 -11.372 1.00 0.59 O ATOM 1428 CB LYS A 91 -13.282 -10.652 -10.293 1.00 0.47 C ATOM 1429 CG LYS A 91 -14.668 -11.260 -10.471 1.00 1.02 C ATOM 1430 CD LYS A 91 -14.848 -12.515 -9.629 1.00 1.09 C ATOM 1431 CE LYS A 91 -14.008 -13.673 -10.147 1.00 1.24 C ATOM 1432 NZ LYS A 91 -14.485 -14.173 -11.465 1.00 1.76 N ATOM 0 H LYS A 91 -11.348 -8.265 -10.682 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.364 -9.643 -12.181 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.531 -11.408 -10.524 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -13.147 -10.378 -9.247 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -15.425 -10.526 -10.195 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -14.826 -11.502 -11.522 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -14.573 -12.301 -8.596 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -15.899 -12.802 -9.626 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -12.970 -13.354 -10.236 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -14.030 -14.487 -9.423 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -14.034 -15.086 -11.674 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -15.517 -14.295 -11.437 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -14.238 -13.487 -12.207 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.600 -7.878 -9.375 1.00 0.48 N ATOM 1447 CA LEU A 92 -14.276 -6.748 -8.729 1.00 0.55 C ATOM 1448 C LEU A 92 -15.792 -6.955 -8.676 1.00 0.58 C ATOM 1449 O LEU A 92 -16.564 -5.997 -8.665 1.00 0.72 O ATOM 1450 CB LEU A 92 -13.946 -5.425 -9.445 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.575 -4.807 -9.123 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -12.314 -4.815 -7.626 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.465 -5.536 -9.863 1.00 0.90 C ATOM 0 H LEU A 92 -12.943 -8.368 -8.768 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.906 -6.693 -7.705 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -14.003 -5.593 -10.520 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.718 -4.697 -9.195 1.00 0.65 H new ATOM 0 HG LEU A 92 -12.587 -3.771 -9.461 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -11.338 -4.373 -7.424 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -13.086 -4.237 -7.119 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -12.330 -5.841 -7.259 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.505 -5.081 -9.619 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.456 -6.584 -9.564 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.637 -5.467 -10.937 1.00 0.90 H new ATOM 1465 N SER A 93 -16.216 -8.210 -8.629 1.00 0.52 N ATOM 1466 CA SER A 93 -17.631 -8.537 -8.569 1.00 0.57 C ATOM 1467 C SER A 93 -18.063 -8.769 -7.128 1.00 0.58 C ATOM 1468 O SER A 93 -18.411 -9.885 -6.739 1.00 0.70 O ATOM 1469 CB SER A 93 -17.916 -9.769 -9.420 1.00 0.62 C ATOM 1470 OG SER A 93 -17.384 -9.604 -10.724 1.00 0.70 O ATOM 0 H SER A 93 -15.597 -9.020 -8.631 1.00 0.52 H new ATOM 0 HA SER A 93 -18.204 -7.698 -8.965 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.480 -10.651 -8.951 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.991 -9.938 -9.478 1.00 0.62 H new ATOM 0 HG SER A 93 -17.573 -10.404 -11.258 1.00 0.70 H new ATOM 1476 N LYS A 94 -18.025 -7.704 -6.342 1.00 0.57 N ATOM 1477 CA LYS A 94 -18.397 -7.766 -4.937 1.00 0.60 C ATOM 1478 C LYS A 94 -19.240 -6.556 -4.559 1.00 0.71 C ATOM 1479 O LYS A 94 -19.143 -5.504 -5.196 1.00 0.82 O ATOM 1480 CB LYS A 94 -17.145 -7.804 -4.063 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.372 -9.110 -4.136 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.897 -8.899 -3.829 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.693 -8.283 -2.455 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.563 -7.314 -2.447 1.00 0.93 N ATOM 0 H LYS A 94 -17.737 -6.778 -6.658 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.979 -8.673 -4.775 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -16.485 -6.988 -4.358 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -17.433 -7.623 -3.027 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.794 -9.824 -3.429 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -16.480 -9.544 -5.130 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.374 -9.854 -3.881 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.456 -8.252 -4.587 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -15.607 -7.778 -2.143 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -14.501 -9.072 -1.728 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -13.356 -7.030 -1.468 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -12.721 -7.759 -2.864 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -13.822 -6.474 -3.003 1.00 0.93 H new ATOM 1498 N PRO A 95 -20.089 -6.689 -3.531 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.941 -5.593 -3.066 1.00 0.92 C ATOM 1500 C PRO A 95 -20.153 -4.546 -2.280 1.00 0.95 C ATOM 1501 O PRO A 95 -19.226 -4.879 -1.530 1.00 1.03 O ATOM 1502 CB PRO A 95 -21.955 -6.294 -2.163 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.242 -7.498 -1.654 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.305 -7.926 -2.749 1.00 0.84 C ATOM 0 HA PRO A 95 -21.396 -5.046 -3.892 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.271 -5.646 -1.345 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.853 -6.570 -2.716 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -20.694 -7.268 -0.740 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -21.946 -8.294 -1.411 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.369 -8.313 -2.346 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.740 -8.716 -3.362 1.00 0.84 H new ATOM 1512 N MET A 96 -20.514 -3.285 -2.453 1.00 1.06 N ATOM 1513 CA MET A 96 -19.838 -2.205 -1.755 1.00 1.14 C ATOM 1514 C MET A 96 -20.684 -1.733 -0.581 1.00 1.16 C ATOM 1515 O MET A 96 -20.281 -1.877 0.575 1.00 1.25 O ATOM 1516 CB MET A 96 -19.540 -1.041 -2.709 1.00 1.31 C ATOM 1517 CG MET A 96 -18.730 0.077 -2.068 1.00 1.38 C ATOM 1518 SD MET A 96 -18.218 1.347 -3.249 1.00 1.63 S ATOM 1519 CE MET A 96 -19.808 1.933 -3.823 1.00 1.94 C ATOM 0 H MET A 96 -21.269 -2.985 -3.069 1.00 1.06 H new ATOM 0 HA MET A 96 -18.887 -2.579 -1.375 1.00 1.14 H new ATOM 0 HB2 MET A 96 -18.998 -1.421 -3.575 1.00 1.31 H new ATOM 0 HB3 MET A 96 -20.481 -0.632 -3.076 1.00 1.31 H new ATOM 0 HG2 MET A 96 -19.322 0.540 -1.279 1.00 1.38 H new ATOM 0 HG3 MET A 96 -17.845 -0.349 -1.595 1.00 1.38 H new ATOM 0 HE1 MET A 96 -19.762 3.010 -3.984 1.00 1.94 H new ATOM 0 HE2 MET A 96 -20.062 1.437 -4.760 1.00 1.94 H new ATOM 0 HE3 MET A 96 -20.570 1.710 -3.076 1.00 1.94 H new ATOM 1529 N GLU A 97 -21.868 -1.200 -0.897 1.00 1.14 N ATOM 1530 CA GLU A 97 -22.806 -0.695 0.106 1.00 1.22 C ATOM 1531 C GLU A 97 -22.225 0.508 0.850 1.00 1.29 C ATOM 1532 O GLU A 97 -21.397 0.361 1.751 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.187 -1.807 1.088 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.111 -1.364 2.208 1.00 1.50 C ATOM 1535 CD GLU A 97 -23.915 -2.196 3.454 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -22.959 -1.919 4.214 1.00 2.38 O ATOM 1537 OE2 GLU A 97 -24.700 -3.143 3.675 1.00 2.57 O ATOM 0 H GLU A 97 -22.202 -1.107 -1.856 1.00 1.14 H new ATOM 0 HA GLU A 97 -23.707 -0.363 -0.410 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -23.667 -2.615 0.535 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -22.277 -2.217 1.525 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -23.927 -0.315 2.438 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -25.147 -1.441 1.878 1.00 1.50 H new ATOM 1544 N THR A 98 -22.650 1.699 0.459 1.00 1.31 N ATOM 1545 CA THR A 98 -22.170 2.916 1.089 1.00 1.40 C ATOM 1546 C THR A 98 -23.218 4.025 0.994 1.00 1.39 C ATOM 1547 O THR A 98 -24.236 3.867 0.315 1.00 1.35 O ATOM 1548 CB THR A 98 -20.840 3.386 0.451 1.00 1.43 C ATOM 1549 OG1 THR A 98 -20.201 4.353 1.298 1.00 1.57 O ATOM 1550 CG2 THR A 98 -21.076 3.989 -0.932 1.00 1.37 C ATOM 0 H THR A 98 -23.325 1.848 -0.291 1.00 1.31 H new ATOM 0 HA THR A 98 -21.988 2.695 2.141 1.00 1.40 H new ATOM 0 HB THR A 98 -20.193 2.516 0.341 1.00 1.43 H new ATOM 0 HG1 THR A 98 -19.360 4.643 0.887 1.00 1.57 H new ATOM 0 HG21 THR A 98 -20.125 4.310 -1.356 1.00 1.37 H new ATOM 0 HG22 THR A 98 -21.529 3.241 -1.583 1.00 1.37 H new ATOM 0 HG23 THR A 98 -21.743 4.847 -0.846 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.957 5.138 1.686 1.00 1.46 N ATOM 1559 CA LEU A 99 -23.852 6.299 1.697 1.00 1.48 C ATOM 1560 C LEU A 99 -25.280 5.914 2.072 1.00 1.52 C ATOM 1561 O LEU A 99 -26.208 6.086 1.284 1.00 1.53 O ATOM 1562 CB LEU A 99 -23.840 7.002 0.334 1.00 1.43 C ATOM 1563 CG LEU A 99 -22.505 7.632 -0.063 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -22.569 8.158 -1.485 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -22.138 8.751 0.899 1.00 1.61 C ATOM 0 H LEU A 99 -22.119 5.260 2.255 1.00 1.46 H new ATOM 0 HA LEU A 99 -23.480 6.985 2.458 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -24.124 6.280 -0.431 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -24.603 7.780 0.338 1.00 1.43 H new ATOM 0 HG LEU A 99 -21.733 6.864 -0.012 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -21.611 8.603 -1.752 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -22.790 7.337 -2.167 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -23.353 8.912 -1.559 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -21.185 9.188 0.602 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -22.912 9.518 0.877 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -22.054 8.350 1.909 1.00 1.61 H new ATOM 1577 N ILE A 100 -25.449 5.389 3.278 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.769 4.986 3.752 1.00 1.68 C ATOM 1579 C ILE A 100 -27.106 5.673 5.070 1.00 1.72 C ATOM 1580 O ILE A 100 -28.063 5.307 5.752 1.00 1.83 O ATOM 1581 CB ILE A 100 -26.868 3.456 3.937 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -25.716 2.947 4.808 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -26.874 2.759 2.583 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -25.768 1.458 5.077 1.00 1.79 C ATOM 0 H ILE A 100 -24.693 5.232 3.945 1.00 1.60 H new ATOM 0 HA ILE A 100 -27.485 5.291 2.989 1.00 1.68 H new ATOM 0 HB ILE A 100 -27.805 3.225 4.444 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -24.771 3.186 4.321 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.728 3.480 5.759 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -26.944 1.681 2.729 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -27.729 3.103 2.001 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -25.953 2.994 2.049 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -24.921 1.171 5.700 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -26.697 1.214 5.593 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -25.724 0.916 4.132 1.00 1.79 H new ATOM 1596 N THR A 101 -26.322 6.683 5.424 1.00 1.73 N ATOM 1597 CA THR A 101 -26.533 7.409 6.668 1.00 1.77 C ATOM 1598 C THR A 101 -26.158 8.880 6.506 1.00 1.85 C ATOM 1599 O THR A 101 -25.203 9.209 5.799 1.00 1.80 O ATOM 1600 CB THR A 101 -25.701 6.782 7.808 1.00 1.70 C ATOM 1601 OG1 THR A 101 -25.837 5.351 7.787 1.00 1.85 O ATOM 1602 CG2 THR A 101 -26.139 7.313 9.164 1.00 1.98 C ATOM 0 H THR A 101 -25.535 7.017 4.868 1.00 1.73 H new ATOM 0 HA THR A 101 -27.591 7.342 6.921 1.00 1.77 H new ATOM 0 HB THR A 101 -24.657 7.054 7.651 1.00 1.70 H new ATOM 0 HG1 THR A 101 -25.305 4.961 8.512 1.00 1.85 H new ATOM 0 HG21 THR A 101 -25.535 6.854 9.947 1.00 1.98 H new ATOM 0 HG22 THR A 101 -26.007 8.395 9.191 1.00 1.98 H new ATOM 0 HG23 THR A 101 -27.189 7.072 9.327 1.00 1.98 H new ATOM 1610 N THR A 102 -26.925 9.758 7.141 1.00 2.05 N ATOM 1611 CA THR A 102 -26.666 11.184 7.080 1.00 2.18 C ATOM 1612 C THR A 102 -25.514 11.558 8.002 1.00 2.11 C ATOM 1613 O THR A 102 -25.653 11.546 9.227 1.00 2.23 O ATOM 1614 CB THR A 102 -27.918 11.980 7.474 1.00 2.58 C ATOM 1615 OG1 THR A 102 -28.987 11.072 7.783 1.00 2.89 O ATOM 1616 CG2 THR A 102 -28.341 12.915 6.351 1.00 2.72 C ATOM 0 H THR A 102 -27.735 9.502 7.706 1.00 2.05 H new ATOM 0 HA THR A 102 -26.397 11.432 6.053 1.00 2.18 H new ATOM 0 HB THR A 102 -27.685 12.583 8.351 1.00 2.58 H new ATOM 0 HG1 THR A 102 -29.785 11.581 8.036 1.00 2.89 H new ATOM 0 HG21 THR A 102 -29.230 13.468 6.654 1.00 2.72 H new ATOM 0 HG22 THR A 102 -27.533 13.615 6.137 1.00 2.72 H new ATOM 0 HG23 THR A 102 -28.563 12.333 5.457 1.00 2.72 H new ATOM 1624 N VAL A 103 -24.374 11.878 7.413 1.00 2.05 N ATOM 1625 CA VAL A 103 -23.195 12.243 8.181 1.00 2.08 C ATOM 1626 C VAL A 103 -22.986 13.751 8.174 1.00 2.14 C ATOM 1627 O VAL A 103 -21.918 14.245 8.544 1.00 2.25 O ATOM 1628 CB VAL A 103 -21.929 11.539 7.642 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -22.078 10.030 7.746 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -21.636 11.954 6.201 1.00 1.94 C ATOM 0 H VAL A 103 -24.240 11.892 6.402 1.00 2.05 H new ATOM 0 HA VAL A 103 -23.364 11.913 9.206 1.00 2.08 H new ATOM 0 HB VAL A 103 -21.083 11.849 8.255 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -21.179 9.548 7.363 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -22.223 9.750 8.789 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -22.939 9.708 7.161 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -20.740 11.442 5.850 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -22.480 11.685 5.566 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -21.479 13.032 6.158 1.00 1.94 H new ATOM 1640 N ASP A 104 -24.016 14.476 7.763 1.00 2.18 N ATOM 1641 CA ASP A 104 -23.959 15.925 7.703 1.00 2.30 C ATOM 1642 C ASP A 104 -25.317 16.514 8.055 1.00 2.65 C ATOM 1643 O ASP A 104 -25.391 17.735 8.309 1.00 2.86 O ATOM 1644 CB ASP A 104 -23.518 16.396 6.310 1.00 2.32 C ATOM 1645 CG ASP A 104 -24.652 16.430 5.302 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -25.251 15.367 5.028 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -24.941 17.522 4.768 1.00 2.82 O ATOM 0 H ASP A 104 -24.907 14.079 7.465 1.00 2.18 H new ATOM 0 HA ASP A 104 -23.223 16.273 8.428 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -23.083 17.392 6.391 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -22.733 15.735 5.942 1.00 2.32 H new TER 1652 ASP A 104 HETATM 1653 CHA HEM A 400 11.207 10.439 -4.235 1.00 0.46 C HETATM 1654 CHB HEM A 400 11.240 5.993 -2.459 1.00 0.49 C HETATM 1655 CHC HEM A 400 6.485 5.757 -2.930 1.00 0.41 C HETATM 1656 CHD HEM A 400 6.426 10.266 -4.551 1.00 0.38 C HETATM 1657 C1A HEM A 400 11.634 9.231 -3.733 1.00 0.46 C HETATM 1658 C2A HEM A 400 13.015 8.911 -3.443 1.00 0.53 C HETATM 1659 C3A HEM A 400 13.016 7.666 -2.911 1.00 0.54 C HETATM 1660 C4A HEM A 400 11.646 7.224 -2.905 1.00 0.47 C HETATM 1661 CMA HEM A 400 14.192 6.922 -2.364 1.00 0.63 C HETATM 1662 CAA HEM A 400 14.211 9.769 -3.708 1.00 0.61 C HETATM 1663 CBA HEM A 400 15.279 9.053 -4.546 1.00 0.95 C HETATM 1664 CGA HEM A 400 15.312 9.654 -5.945 1.00 0.91 C HETATM 1665 O1A HEM A 400 15.880 10.749 -6.107 1.00 1.48 O HETATM 1666 O2A HEM A 400 14.770 9.020 -6.877 1.00 1.29 O HETATM 1667 C1B HEM A 400 9.947 5.540 -2.441 1.00 0.46 C HETATM 1668 C2B HEM A 400 9.557 4.235 -1.973 1.00 0.51 C HETATM 1669 C3B HEM A 400 8.214 4.162 -2.116 1.00 0.49 C HETATM 1670 C4B HEM A 400 7.792 5.428 -2.667 1.00 0.42 C HETATM 1671 CMB HEM A 400 10.458 3.175 -1.431 1.00 0.60 C HETATM 1672 CAB HEM A 400 7.407 3.082 -1.813 1.00 0.55 C HETATM 1673 CBB HEM A 400 7.235 2.485 -0.413 1.00 1.07 C HETATM 1674 C1C HEM A 400 6.057 6.966 -3.425 1.00 0.37 C HETATM 1675 C2C HEM A 400 4.674 7.295 -3.661 1.00 0.40 C HETATM 1676 C3C HEM A 400 4.654 8.574 -4.106 1.00 0.40 C HETATM 1677 C4C HEM A 400 6.027 9.014 -4.149 1.00 0.36 C HETATM 1678 CMC HEM A 400 3.501 6.395 -3.468 1.00 0.47 C HETATM 1679 CAC HEM A 400 3.538 9.314 -4.443 1.00 0.45 C HETATM 1680 CBC HEM A 400 2.269 9.410 -3.588 1.00 0.52 C HETATM 1681 C1D HEM A 400 7.728 10.705 -4.607 1.00 0.39 C HETATM 1682 C2D HEM A 400 8.122 12.023 -5.038 1.00 0.45 C HETATM 1683 C3D HEM A 400 9.473 12.067 -4.963 1.00 0.47 C HETATM 1684 C4D HEM A 400 9.897 10.776 -4.476 1.00 0.42 C HETATM 1685 CMD HEM A 400 7.218 13.134 -5.461 1.00 0.50 C HETATM 1686 CAD HEM A 400 10.348 13.223 -5.311 1.00 0.55 C HETATM 1687 CBD HEM A 400 10.725 13.255 -6.797 1.00 0.70 C HETATM 1688 CGD HEM A 400 10.394 14.629 -7.363 1.00 1.09 C HETATM 1689 O1D HEM A 400 10.697 15.635 -6.693 1.00 1.52 O HETATM 1690 O2D HEM A 400 9.827 14.699 -8.473 1.00 1.79 O HETATM 1691 NA HEM A 400 10.797 8.188 -3.406 1.00 0.42 N HETATM 1692 NB HEM A 400 8.861 6.271 -2.869 1.00 0.40 N HETATM 1693 NC HEM A 400 6.887 8.022 -3.726 1.00 0.35 N HETATM 1694 ND HEM A 400 8.822 9.941 -4.257 1.00 0.37 N HETATM 1695 FE HEM A 400 8.844 8.094 -3.598 1.00 0.36 FE HETATM 0 HMA1 HEM A 400 13.872 6.299 -1.529 1.00 0.63 H new HETATM 0 HMA2 HEM A 400 14.944 7.632 -2.019 1.00 0.63 H new HETATM 0 HMA3 HEM A 400 14.619 6.292 -3.144 1.00 0.63 H new HETATM 0 HMB1 HEM A 400 9.914 2.571 -0.705 1.00 0.60 H new HETATM 0 HMB2 HEM A 400 11.316 3.640 -0.945 1.00 0.60 H new HETATM 0 HMB3 HEM A 400 10.804 2.539 -2.246 1.00 0.60 H new HETATM 0 HMC1 HEM A 400 3.803 5.362 -3.639 1.00 0.47 H new HETATM 0 HMC2 HEM A 400 2.715 6.665 -4.173 1.00 0.47 H new HETATM 0 HMC3 HEM A 400 3.126 6.499 -2.450 1.00 0.47 H new HETATM 0 HMD1 HEM A 400 6.314 12.718 -5.906 1.00 0.50 H new HETATM 0 HMD2 HEM A 400 7.728 13.759 -6.193 1.00 0.50 H new HETATM 0 HMD3 HEM A 400 6.951 13.736 -4.593 1.00 0.50 H new HETATM 0 HBB1 HEM A 400 6.576 1.630 -0.262 1.00 1.07 H new HETATM 0 HBB2 HEM A 400 7.771 2.915 0.433 1.00 1.07 H new HETATM 0 HBC1 HEM A 400 1.429 10.017 -3.925 1.00 0.52 H new HETATM 0 HBC2 HEM A 400 2.207 8.871 -2.643 1.00 0.52 H new HETATM 0 HBA1 HEM A 400 15.059 7.987 -4.601 1.00 0.95 H new HETATM 0 HBA2 HEM A 400 16.256 9.153 -4.072 1.00 0.95 H new HETATM 0 HAA1 HEM A 400 14.648 10.080 -2.759 1.00 0.61 H new HETATM 0 HAA2 HEM A 400 13.896 10.675 -4.226 1.00 0.61 H new HETATM 0 HBD1 HEM A 400 10.180 12.483 -7.340 1.00 0.70 H new HETATM 0 HBD2 HEM A 400 11.787 13.043 -6.921 1.00 0.70 H new HETATM 0 HAD1 HEM A 400 11.257 13.179 -4.711 1.00 0.55 H new HETATM 0 HAD2 HEM A 400 9.838 14.150 -5.050 1.00 0.55 H new HETATM 0 HHA HEM A 400 11.961 11.180 -4.457 1.00 0.46 H new HETATM 0 HHB HEM A 400 12.004 5.324 -2.091 1.00 0.49 H new HETATM 0 HHC HEM A 400 5.734 5.007 -2.732 1.00 0.41 H new HETATM 0 HHD HEM A 400 5.655 10.962 -4.847 1.00 0.38 H new HETATM 0 HAB HEM A 400 6.852 2.621 -2.630 1.00 0.55 H new HETATM 0 HAC HEM A 400 3.561 9.868 -5.381 1.00 0.45 H new