USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 LYS NZ :NH3+ 140:sc= 1.24 (180deg=-0.482) USER MOD Set 1.2: A 12 THR OG1 : rot 131:sc= 0.886 USER MOD Single : A 1 MET CE :methyl 135:sc= -0.0742 (180deg=-0.339) USER MOD Single : A 1 MET N :NH3+ -176:sc= 2.39 (180deg=2.38) USER MOD Single : A 2 GLN : amide:sc= 0.0421 X(o=0.042,f=-0.28) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 11 LYS NZ :NH3+ -127:sc= 1.17 (180deg=-0.514) USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.0683 USER MOD Single : A 20 SER OG : rot 180:sc= 0.153 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.16) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.05) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 41 GLN : amide:sc= 0.661 K(o=0.66,f=-4.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 55 THR OG1 : rot -68:sc= 0.778 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.0161 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.155 K(o=0.15,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.662 -7.685 -4.991 1.00 9.67 N ATOM 2 CA MET A 1 11.676 -8.203 -3.614 1.00 10.38 C ATOM 3 C MET A 1 10.254 -8.411 -2.986 1.00 9.62 C ATOM 4 O MET A 1 9.191 -7.906 -3.400 1.00 9.62 O ATOM 5 CB MET A 1 12.448 -7.225 -2.662 1.00 13.77 C ATOM 6 CG MET A 1 11.701 -5.953 -2.208 1.00 16.29 C ATOM 7 SD MET A 1 12.859 -4.710 -1.456 1.00 17.17 S ATOM 8 CE MET A 1 11.421 -3.713 -1.168 1.00 16.11 C ATOM 0 H1 MET A 1 12.635 -7.641 -5.355 1.00 9.67 H new ATOM 0 H2 MET A 1 11.095 -8.316 -5.593 1.00 9.67 H new ATOM 0 H3 MET A 1 11.245 -6.732 -4.999 1.00 9.67 H new ATOM 0 HA MET A 1 12.164 -9.174 -3.696 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.742 -7.781 -1.772 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.366 -6.918 -3.164 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.191 -5.506 -3.061 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.933 -6.221 -1.482 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.456 -3.308 -0.157 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.397 -2.894 -1.886 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.526 -4.324 -1.284 1.00 16.11 H new ATOM 20 N GLN A 2 10.134 -9.242 -2.030 1.00 9.27 N ATOM 21 CA GLN A 2 8.871 -9.404 -1.332 1.00 9.07 C ATOM 22 C GLN A 2 8.483 -8.296 -0.367 1.00 8.72 C ATOM 23 O GLN A 2 9.441 -7.680 0.173 1.00 8.22 O ATOM 24 CB GLN A 2 8.933 -10.733 -0.615 1.00 14.46 C ATOM 25 CG GLN A 2 8.893 -11.938 -1.644 1.00 17.01 C ATOM 26 CD GLN A 2 7.575 -12.002 -2.506 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.608 -12.644 -2.149 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.540 -11.308 -3.650 1.00 19.49 N ATOM 0 H GLN A 2 10.888 -9.839 -1.690 1.00 9.27 H new ATOM 0 HA GLN A 2 8.085 -9.358 -2.086 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.846 -10.787 -0.022 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.096 -10.815 0.079 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.749 -11.859 -2.314 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.002 -12.874 -1.096 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.355 -10.770 -3.945 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.698 -11.317 -4.226 1.00 19.49 H new ATOM 37 N ILE A 3 7.141 -8.096 -0.087 1.00 5.87 N ATOM 38 CA ILE A 3 6.597 -7.172 0.936 1.00 5.07 C ATOM 39 C ILE A 3 5.261 -7.700 1.380 1.00 4.01 C ATOM 40 O ILE A 3 4.547 -8.290 0.560 1.00 4.61 O ATOM 41 CB ILE A 3 6.370 -5.708 0.550 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.554 -5.463 -0.746 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.770 -4.987 0.572 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.716 -4.161 -0.689 1.00 10.83 C ATOM 0 H ILE A 3 6.407 -8.595 -0.590 1.00 5.87 H new ATOM 0 HA ILE A 3 7.381 -7.150 1.693 1.00 5.07 H new ATOM 0 HB ILE A 3 5.705 -5.265 1.291 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.235 -5.415 -1.595 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.890 -6.310 -0.918 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.644 -3.939 0.301 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.198 -5.054 1.572 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.438 -5.469 -0.142 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.166 -4.041 -1.622 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.013 -4.217 0.142 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.379 -3.308 -0.546 1.00 10.83 H new ATOM 56 N PHE A 4 4.866 -7.489 2.644 1.00 4.55 N ATOM 57 CA PHE A 4 3.563 -7.885 3.129 1.00 4.68 C ATOM 58 C PHE A 4 2.583 -6.731 3.259 1.00 5.30 C ATOM 59 O PHE A 4 2.858 -5.626 3.711 1.00 5.58 O ATOM 60 CB PHE A 4 3.626 -8.686 4.476 1.00 4.83 C ATOM 61 CG PHE A 4 4.516 -9.956 4.261 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.035 -11.102 3.680 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.800 -9.926 4.827 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.796 -12.266 3.689 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.533 -11.126 4.869 1.00 10.61 C ATOM 66 CZ PHE A 4 5.990 -12.289 4.394 1.00 8.90 C ATOM 0 H PHE A 4 5.451 -7.038 3.348 1.00 4.55 H new ATOM 0 HA PHE A 4 3.185 -8.551 2.353 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.041 -8.063 5.268 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.624 -8.976 4.791 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.061 -11.100 3.214 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.213 -9.008 5.219 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.461 -13.142 3.153 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.532 -11.130 5.279 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.493 -13.228 4.569 1.00 8.90 H new ATOM 76 N VAL A 5 1.271 -7.028 2.940 1.00 4.44 N ATOM 77 CA VAL A 5 0.208 -6.133 3.280 1.00 3.87 C ATOM 78 C VAL A 5 -0.736 -6.900 4.115 1.00 4.93 C ATOM 79 O VAL A 5 -0.924 -8.038 3.881 1.00 6.84 O ATOM 80 CB VAL A 5 -0.508 -5.652 2.015 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.730 -4.771 2.326 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.532 -4.906 1.214 1.00 9.13 C ATOM 0 H VAL A 5 0.976 -7.876 2.456 1.00 4.44 H new ATOM 0 HA VAL A 5 0.592 -5.258 3.804 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.914 -6.496 1.457 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.200 -4.458 1.394 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.446 -5.339 2.920 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.411 -3.891 2.885 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.084 -4.534 0.293 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.909 -4.067 1.799 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.355 -5.578 0.971 1.00 9.13 H new ATOM 92 N LYS A 6 -1.361 -6.199 5.159 1.00 6.04 N ATOM 93 CA LYS A 6 -2.274 -6.771 6.103 1.00 6.12 C ATOM 94 C LYS A 6 -3.391 -5.795 6.349 1.00 6.57 C ATOM 95 O LYS A 6 -3.148 -4.583 6.288 1.00 5.76 O ATOM 96 CB LYS A 6 -1.694 -7.130 7.500 1.00 7.45 C ATOM 97 CG LYS A 6 -0.447 -8.015 7.401 1.00 11.12 C ATOM 98 CD LYS A 6 0.105 -8.462 8.760 1.00 14.54 C ATOM 99 CE LYS A 6 1.390 -9.255 8.582 1.00 18.84 C ATOM 100 NZ LYS A 6 1.088 -10.710 8.414 1.00 20.55 N ATOM 0 H LYS A 6 -1.200 -5.204 5.318 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.581 -7.709 5.640 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.445 -6.213 8.034 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.456 -7.644 8.086 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.686 -8.898 6.808 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.331 -7.472 6.864 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.293 -7.590 9.386 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.636 -9.072 9.277 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.934 -8.887 7.712 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.037 -9.109 9.447 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.715 -11.113 7.689 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.241 -11.203 9.317 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.098 -10.827 8.119 1.00 20.55 H new ATOM 114 N THR A 7 -4.606 -6.289 6.656 1.00 7.41 N ATOM 115 CA THR A 7 -5.913 -5.635 6.884 1.00 7.48 C ATOM 116 C THR A 7 -6.324 -5.967 8.296 1.00 8.75 C ATOM 117 O THR A 7 -5.926 -6.995 8.815 1.00 8.58 O ATOM 118 CB THR A 7 -7.062 -5.931 5.970 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.500 -7.281 6.012 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.685 -5.638 4.576 1.00 9.17 C ATOM 0 H THR A 7 -4.708 -7.298 6.765 1.00 7.41 H new ATOM 0 HA THR A 7 -5.722 -4.583 6.673 1.00 7.48 H new ATOM 0 HB THR A 7 -7.878 -5.298 6.320 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.251 -7.401 5.394 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.526 -5.856 3.918 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.417 -4.585 4.485 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.833 -6.255 4.292 1.00 9.17 H new ATOM 128 N LEU A 8 -7.078 -5.061 8.996 1.00 9.84 N ATOM 129 CA LEU A 8 -7.405 -5.120 10.377 1.00 14.15 C ATOM 130 C LEU A 8 -8.117 -6.361 10.848 1.00 17.37 C ATOM 131 O LEU A 8 -7.802 -6.889 11.901 1.00 17.01 O ATOM 132 CB LEU A 8 -8.064 -3.845 10.801 1.00 16.63 C ATOM 133 CG LEU A 8 -8.100 -3.607 12.328 1.00 18.88 C ATOM 134 CD1 LEU A 8 -6.707 -3.603 12.972 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.874 -2.291 12.574 1.00 18.59 C ATOM 0 H LEU A 8 -7.476 -4.238 8.543 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.454 -5.217 10.901 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -7.544 -3.011 10.330 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.086 -3.838 10.423 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.611 -4.438 12.814 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -6.802 -3.431 14.044 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -6.224 -4.565 12.800 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -6.104 -2.810 12.530 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.920 -2.090 13.644 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.363 -1.469 12.072 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -9.886 -2.385 12.179 1.00 18.59 H new ATOM 147 N THR A 9 -9.083 -6.867 9.996 1.00 18.33 N ATOM 148 CA THR A 9 -9.742 -8.136 10.159 1.00 19.24 C ATOM 149 C THR A 9 -8.927 -9.382 9.787 1.00 19.48 C ATOM 150 O THR A 9 -9.556 -10.454 9.864 1.00 23.14 O ATOM 151 CB THR A 9 -11.060 -8.114 9.458 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.836 -7.751 8.121 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.028 -7.131 10.157 1.00 19.70 C ATOM 0 H THR A 9 -9.401 -6.359 9.171 1.00 18.33 H new ATOM 0 HA THR A 9 -9.880 -8.246 11.235 1.00 19.24 H new ATOM 0 HB THR A 9 -11.526 -9.099 9.493 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.690 -7.732 7.640 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.984 -7.127 9.633 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.181 -7.444 11.190 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.602 -6.128 10.141 1.00 19.70 H new ATOM 161 N GLY A 10 -7.596 -9.319 9.617 1.00 19.43 N ATOM 162 CA GLY A 10 -6.703 -10.401 9.818 1.00 18.74 C ATOM 163 C GLY A 10 -6.182 -11.048 8.614 1.00 17.62 C ATOM 164 O GLY A 10 -5.698 -12.153 8.696 1.00 19.74 O ATOM 0 H GLY A 10 -7.124 -8.464 9.323 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.858 -10.042 10.405 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.211 -11.156 10.419 1.00 18.74 H new ATOM 168 N LYS A 11 -6.307 -10.361 7.439 1.00 13.56 N ATOM 169 CA LYS A 11 -5.931 -10.922 6.169 1.00 11.91 C ATOM 170 C LYS A 11 -4.657 -10.373 5.688 1.00 10.18 C ATOM 171 O LYS A 11 -4.494 -9.169 5.428 1.00 9.10 O ATOM 172 CB LYS A 11 -6.921 -10.734 4.973 1.00 13.43 C ATOM 173 CG LYS A 11 -6.451 -11.282 3.632 1.00 16.69 C ATOM 174 CD LYS A 11 -7.648 -11.163 2.635 1.00 17.92 C ATOM 175 CE LYS A 11 -7.539 -12.120 1.491 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.719 -11.909 0.549 1.00 21.93 N ATOM 0 H LYS A 11 -6.672 -9.411 7.380 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.899 -11.982 6.420 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.866 -11.213 5.229 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.124 -9.669 4.858 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.591 -10.721 3.268 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.135 -12.321 3.731 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.581 -11.345 3.169 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.695 -10.145 2.249 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.601 -11.964 0.959 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.530 -13.146 1.859 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.199 -12.817 0.385 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.387 -11.236 0.975 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.377 -11.530 -0.357 1.00 21.93 H new ATOM 190 N THR A 12 -3.706 -11.309 5.460 1.00 9.63 N ATOM 191 CA THR A 12 -2.389 -10.959 4.937 1.00 9.85 C ATOM 192 C THR A 12 -2.213 -11.435 3.485 1.00 11.66 C ATOM 193 O THR A 12 -2.529 -12.593 3.167 1.00 12.33 O ATOM 194 CB THR A 12 -1.239 -11.589 5.671 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.249 -11.259 7.045 1.00 10.91 O ATOM 196 CG2 THR A 12 0.152 -11.127 5.149 1.00 9.63 C ATOM 0 H THR A 12 -3.837 -12.306 5.633 1.00 9.63 H new ATOM 0 HA THR A 12 -2.364 -9.875 5.046 1.00 9.85 H new ATOM 0 HB THR A 12 -1.376 -12.657 5.504 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.144 -12.075 7.578 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.938 -11.620 5.722 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.251 -11.391 4.096 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.243 -10.047 5.263 1.00 9.63 H new ATOM 204 N ILE A 13 -1.811 -10.488 2.580 1.00 10.42 N ATOM 205 CA ILE A 13 -1.378 -10.864 1.218 1.00 11.84 C ATOM 206 C ILE A 13 0.046 -10.547 1.063 1.00 10.55 C ATOM 207 O ILE A 13 0.618 -9.656 1.675 1.00 11.92 O ATOM 208 CB ILE A 13 -2.238 -10.296 0.119 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.082 -8.760 0.016 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.655 -10.783 0.328 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.913 -8.195 -1.180 1.00 16.46 C ATOM 0 H ILE A 13 -1.782 -9.487 2.773 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.514 -11.940 1.108 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.915 -10.654 -0.858 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.411 -8.294 0.945 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.030 -8.505 -0.114 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.297 -10.384 -0.457 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.674 -11.872 0.293 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.017 -10.445 1.299 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.787 -7.114 -1.232 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.565 -8.646 -2.110 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.967 -8.431 -1.034 1.00 16.46 H new ATOM 223 N THR A 14 0.776 -11.318 0.206 1.00 9.39 N ATOM 224 CA THR A 14 2.181 -11.049 -0.058 1.00 9.63 C ATOM 225 C THR A 14 2.248 -10.504 -1.471 1.00 11.20 C ATOM 226 O THR A 14 1.568 -10.994 -2.413 1.00 11.63 O ATOM 227 CB THR A 14 3.067 -12.227 0.085 1.00 10.38 C ATOM 228 OG1 THR A 14 2.662 -13.162 1.034 1.00 16.30 O ATOM 229 CG2 THR A 14 4.569 -11.917 0.258 1.00 11.66 C ATOM 0 H THR A 14 0.399 -12.120 -0.300 1.00 9.39 H new ATOM 0 HA THR A 14 2.549 -10.343 0.686 1.00 9.63 H new ATOM 0 HB THR A 14 2.949 -12.685 -0.897 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.975 -12.885 1.920 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.124 -12.850 0.354 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.930 -11.367 -0.612 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.715 -11.314 1.154 1.00 11.66 H new ATOM 237 N LEU A 15 3.053 -9.465 -1.675 1.00 8.29 N ATOM 238 CA LEU A 15 3.315 -8.884 -2.994 1.00 9.03 C ATOM 239 C LEU A 15 4.759 -8.830 -3.389 1.00 8.59 C ATOM 240 O LEU A 15 5.649 -9.077 -2.584 1.00 7.79 O ATOM 241 CB LEU A 15 2.880 -7.328 -2.942 1.00 11.08 C ATOM 242 CG LEU A 15 1.419 -6.955 -2.534 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.207 -5.429 -2.468 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.421 -7.678 -3.382 1.00 15.27 C ATOM 0 H LEU A 15 3.550 -8.994 -0.919 1.00 8.29 H new ATOM 0 HA LEU A 15 2.773 -9.517 -3.697 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.553 -6.823 -2.249 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.063 -6.904 -3.929 1.00 11.08 H new ATOM 0 HG LEU A 15 1.249 -7.302 -1.515 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.177 -5.217 -2.181 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.885 -4.999 -1.731 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.408 -4.991 -3.446 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.587 -7.399 -3.075 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.570 -7.409 -4.428 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.552 -8.753 -3.261 1.00 15.27 H new ATOM 256 N GLU A 16 5.014 -8.605 -4.696 1.00 11.04 N ATOM 257 CA GLU A 16 6.325 -8.495 -5.364 1.00 11.50 C ATOM 258 C GLU A 16 6.585 -7.061 -5.908 1.00 10.13 C ATOM 259 O GLU A 16 5.834 -6.617 -6.750 1.00 9.83 O ATOM 260 CB GLU A 16 6.434 -9.473 -6.582 1.00 17.22 C ATOM 261 CG GLU A 16 7.774 -9.461 -7.280 1.00 23.33 C ATOM 262 CD GLU A 16 9.005 -9.690 -6.346 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.188 -10.778 -5.743 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.871 -8.807 -6.473 1.00 28.86 O ATOM 0 H GLU A 16 4.249 -8.487 -5.360 1.00 11.04 H new ATOM 0 HA GLU A 16 7.062 -8.747 -4.601 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.228 -10.486 -6.237 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.660 -9.219 -7.306 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.773 -10.232 -8.050 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.894 -8.504 -7.787 1.00 23.33 H new ATOM 271 N VAL A 17 7.626 -6.372 -5.393 1.00 8.99 N ATOM 272 CA VAL A 17 7.854 -4.974 -5.626 1.00 8.85 C ATOM 273 C VAL A 17 9.330 -4.672 -5.864 1.00 8.04 C ATOM 274 O VAL A 17 10.251 -5.351 -5.387 1.00 8.99 O ATOM 275 CB VAL A 17 7.533 -3.984 -4.477 1.00 9.78 C ATOM 276 CG1 VAL A 17 6.014 -4.024 -4.284 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.228 -4.343 -3.115 1.00 10.54 C ATOM 0 H VAL A 17 8.332 -6.802 -4.795 1.00 8.99 H new ATOM 0 HA VAL A 17 7.177 -4.820 -6.466 1.00 8.85 H new ATOM 0 HB VAL A 17 7.910 -3.000 -4.755 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.731 -3.342 -3.482 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.522 -3.722 -5.208 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.707 -5.037 -4.024 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.955 -3.604 -2.361 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.902 -5.331 -2.790 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.310 -4.343 -3.248 1.00 10.54 H new ATOM 287 N GLU A 18 9.564 -3.519 -6.610 1.00 7.29 N ATOM 288 CA GLU A 18 10.897 -2.890 -6.621 1.00 7.08 C ATOM 289 C GLU A 18 10.864 -1.789 -5.634 1.00 6.45 C ATOM 290 O GLU A 18 9.818 -1.179 -5.467 1.00 5.28 O ATOM 291 CB GLU A 18 11.092 -2.301 -8.060 1.00 10.28 C ATOM 292 CG GLU A 18 11.240 -3.380 -9.264 1.00 12.65 C ATOM 293 CD GLU A 18 12.461 -4.250 -9.082 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.343 -5.323 -8.435 1.00 14.33 O ATOM 295 OE2 GLU A 18 13.541 -3.908 -9.629 1.00 18.17 O ATOM 0 H GLU A 18 8.861 -3.046 -7.178 1.00 7.29 H new ATOM 0 HA GLU A 18 11.701 -3.585 -6.377 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.244 -1.654 -8.283 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.981 -1.670 -8.054 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.349 -4.006 -9.304 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.304 -2.856 -10.218 1.00 12.65 H new ATOM 302 N PRO A 19 11.958 -1.436 -5.020 1.00 7.24 N ATOM 303 CA PRO A 19 12.099 -0.401 -3.962 1.00 7.07 C ATOM 304 C PRO A 19 11.694 0.915 -4.568 1.00 6.65 C ATOM 305 O PRO A 19 11.141 1.713 -3.856 1.00 6.37 O ATOM 306 CB PRO A 19 13.505 -0.484 -3.519 1.00 7.61 C ATOM 307 CG PRO A 19 14.280 -1.019 -4.702 1.00 8.16 C ATOM 308 CD PRO A 19 13.311 -1.962 -5.309 1.00 7.49 C ATOM 0 HA PRO A 19 11.465 -0.533 -3.085 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.878 0.495 -3.218 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.605 -1.143 -2.656 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.565 -0.227 -5.394 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.198 -1.520 -4.395 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.472 -2.042 -6.384 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.433 -2.962 -4.893 1.00 7.49 H new ATOM 316 N SER A 20 11.953 1.218 -5.875 1.00 6.80 N ATOM 317 CA SER A 20 11.700 2.410 -6.593 1.00 6.28 C ATOM 318 C SER A 20 10.304 2.599 -7.082 1.00 8.45 C ATOM 319 O SER A 20 10.040 3.629 -7.679 1.00 7.26 O ATOM 320 CB SER A 20 12.663 2.324 -7.835 1.00 8.57 C ATOM 321 OG SER A 20 12.796 0.993 -8.323 1.00 11.13 O ATOM 0 H SER A 20 12.394 0.524 -6.478 1.00 6.80 H new ATOM 0 HA SER A 20 11.860 3.256 -5.924 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.284 2.965 -8.631 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.645 2.707 -7.558 1.00 8.57 H new ATOM 0 HG SER A 20 13.401 0.986 -9.094 1.00 11.13 H new ATOM 327 N ASP A 21 9.348 1.607 -6.884 1.00 7.50 N ATOM 328 CA ASP A 21 7.980 1.654 -7.308 1.00 7.70 C ATOM 329 C ASP A 21 7.199 2.770 -6.602 1.00 7.08 C ATOM 330 O ASP A 21 7.447 2.957 -5.425 1.00 8.11 O ATOM 331 CB ASP A 21 7.260 0.281 -7.232 1.00 11.00 C ATOM 332 CG ASP A 21 7.701 -0.747 -8.201 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.293 -0.296 -9.258 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.472 -1.929 -8.009 1.00 14.36 O ATOM 0 H ASP A 21 9.572 0.738 -6.399 1.00 7.50 H new ATOM 0 HA ASP A 21 8.004 1.904 -8.369 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.391 -0.119 -6.226 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.192 0.447 -7.372 1.00 11.00 H new ATOM 339 N THR A 22 6.244 3.457 -7.270 1.00 5.37 N ATOM 340 CA THR A 22 5.336 4.446 -6.721 1.00 6.01 C ATOM 341 C THR A 22 4.261 3.797 -5.873 1.00 8.01 C ATOM 342 O THR A 22 3.819 2.678 -6.163 1.00 8.11 O ATOM 343 CB THR A 22 4.692 5.392 -7.642 1.00 8.92 C ATOM 344 OG1 THR A 22 3.971 4.649 -8.638 1.00 10.22 O ATOM 345 CG2 THR A 22 5.711 6.360 -8.285 1.00 9.65 C ATOM 0 H THR A 22 6.091 3.314 -8.268 1.00 5.37 H new ATOM 0 HA THR A 22 6.022 5.058 -6.135 1.00 6.01 H new ATOM 0 HB THR A 22 3.997 6.016 -7.080 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.535 5.270 -9.258 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.191 7.041 -8.958 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.211 6.933 -7.504 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.451 5.789 -8.847 1.00 9.65 H new ATOM 353 N ILE A 23 3.724 4.524 -4.859 1.00 8.32 N ATOM 354 CA ILE A 23 2.637 4.018 -3.976 1.00 9.92 C ATOM 355 C ILE A 23 1.374 3.875 -4.772 1.00 10.01 C ATOM 356 O ILE A 23 0.501 3.023 -4.582 1.00 8.71 O ATOM 357 CB ILE A 23 2.412 5.025 -2.813 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.558 5.005 -1.784 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.072 4.725 -2.029 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.655 3.676 -0.970 1.00 12.30 C ATOM 0 H ILE A 23 4.029 5.470 -4.631 1.00 8.32 H new ATOM 0 HA ILE A 23 2.917 3.047 -3.567 1.00 9.92 H new ATOM 0 HB ILE A 23 2.365 6.003 -3.291 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.502 5.171 -2.303 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.425 5.835 -1.091 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.951 5.450 -1.224 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.226 4.797 -2.713 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.114 3.720 -1.609 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.486 3.740 -0.267 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.727 3.517 -0.421 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.821 2.842 -1.653 1.00 12.30 H new ATOM 372 N GLU A 24 1.254 4.700 -5.873 1.00 9.54 N ATOM 373 CA GLU A 24 0.194 4.607 -6.931 1.00 11.81 C ATOM 374 C GLU A 24 0.215 3.194 -7.591 1.00 11.14 C ATOM 375 O GLU A 24 -0.780 2.534 -7.679 1.00 10.62 O ATOM 376 CB GLU A 24 0.285 5.828 -7.964 1.00 19.24 C ATOM 377 CG GLU A 24 -0.430 5.608 -9.284 1.00 27.76 C ATOM 378 CD GLU A 24 -0.462 6.950 -9.985 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.136 7.883 -9.438 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.231 7.165 -11.004 1.00 34.80 O ATOM 0 H GLU A 24 1.909 5.462 -6.046 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.789 4.711 -6.472 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.128 6.718 -7.489 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.336 6.034 -8.168 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.092 4.867 -9.889 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.440 5.232 -9.120 1.00 27.76 H new ATOM 387 N ASN A 25 1.424 2.671 -7.949 1.00 9.43 N ATOM 388 CA ASN A 25 1.697 1.391 -8.563 1.00 10.96 C ATOM 389 C ASN A 25 1.331 0.255 -7.630 1.00 9.68 C ATOM 390 O ASN A 25 0.871 -0.767 -8.014 1.00 9.33 O ATOM 391 CB ASN A 25 3.180 1.427 -9.044 1.00 16.78 C ATOM 392 CG ASN A 25 3.384 0.241 -10.010 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.816 -0.873 -9.685 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.031 0.472 -11.340 1.00 24.70 N ATOM 0 H ASN A 25 2.284 3.197 -7.792 1.00 9.43 H new ATOM 0 HA ASN A 25 1.075 1.201 -9.438 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.398 2.371 -9.544 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.860 1.352 -8.196 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.130 -0.272 -12.031 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.674 1.385 -11.622 1.00 24.70 H new ATOM 401 N VAL A 26 1.626 0.386 -6.305 1.00 6.52 N ATOM 402 CA VAL A 26 1.289 -0.643 -5.316 1.00 5.53 C ATOM 403 C VAL A 26 -0.172 -0.711 -5.083 1.00 4.42 C ATOM 404 O VAL A 26 -0.708 -1.780 -5.131 1.00 3.40 O ATOM 405 CB VAL A 26 2.013 -0.361 -4.035 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.726 -1.504 -3.003 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.555 -0.211 -4.332 1.00 8.12 C ATOM 0 H VAL A 26 2.097 1.201 -5.911 1.00 6.52 H new ATOM 0 HA VAL A 26 1.603 -1.612 -5.704 1.00 5.53 H new ATOM 0 HB VAL A 26 1.660 0.573 -3.598 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.254 -1.295 -2.073 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.655 -1.558 -2.808 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.069 -2.456 -3.409 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.086 -0.006 -3.403 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.933 -1.135 -4.769 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.713 0.612 -5.030 1.00 8.12 H new ATOM 417 N LYS A 27 -0.934 0.440 -4.886 1.00 2.64 N ATOM 418 CA LYS A 27 -2.440 0.425 -4.901 1.00 4.14 C ATOM 419 C LYS A 27 -2.985 -0.222 -6.116 1.00 5.58 C ATOM 420 O LYS A 27 -3.949 -0.989 -6.020 1.00 4.11 O ATOM 421 CB LYS A 27 -3.002 1.844 -4.604 1.00 3.97 C ATOM 422 CG LYS A 27 -2.625 2.456 -3.231 1.00 7.45 C ATOM 423 CD LYS A 27 -3.271 3.869 -3.062 1.00 9.02 C ATOM 424 CE LYS A 27 -2.894 4.866 -4.182 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.297 6.202 -3.735 1.00 15.47 N ATOM 0 H LYS A 27 -0.530 1.362 -4.720 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.794 -0.211 -4.090 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.657 2.520 -5.387 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.089 1.804 -4.674 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.961 1.798 -2.429 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.541 2.533 -3.147 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.355 3.761 -3.034 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.967 4.285 -2.101 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.822 4.834 -4.379 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.397 4.605 -5.113 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.120 6.890 -4.494 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.310 6.199 -3.501 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.748 6.467 -2.892 1.00 15.47 H new ATOM 439 N ALA A 28 -2.428 0.000 -7.314 1.00 6.61 N ATOM 440 CA ALA A 28 -2.816 -0.764 -8.473 1.00 7.74 C ATOM 441 C ALA A 28 -2.543 -2.237 -8.474 1.00 9.17 C ATOM 442 O ALA A 28 -3.379 -3.048 -8.962 1.00 11.45 O ATOM 443 CB ALA A 28 -2.278 -0.183 -9.847 1.00 7.68 C ATOM 0 H ALA A 28 -1.711 0.704 -7.490 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.896 -0.645 -8.387 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.615 -0.817 -10.667 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.660 0.828 -9.989 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.188 -0.160 -9.831 1.00 7.68 H new ATOM 449 N LYS A 29 -1.441 -2.627 -7.822 1.00 8.96 N ATOM 450 CA LYS A 29 -1.186 -4.054 -7.639 1.00 7.90 C ATOM 451 C LYS A 29 -2.190 -4.655 -6.626 1.00 6.92 C ATOM 452 O LYS A 29 -2.730 -5.782 -6.815 1.00 6.87 O ATOM 453 CB LYS A 29 0.261 -4.140 -7.188 1.00 10.28 C ATOM 454 CG LYS A 29 0.960 -5.527 -6.962 1.00 14.94 C ATOM 455 CD LYS A 29 2.479 -5.310 -7.111 1.00 19.69 C ATOM 456 CE LYS A 29 2.952 -5.361 -8.565 1.00 22.63 C ATOM 457 NZ LYS A 29 4.462 -5.190 -8.723 1.00 24.98 N ATOM 0 H LYS A 29 -0.739 -2.001 -7.428 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.329 -4.639 -8.548 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.857 -3.599 -7.924 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.336 -3.589 -6.250 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.724 -5.919 -5.973 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.604 -6.258 -7.688 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.746 -4.344 -6.682 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.007 -6.071 -6.536 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.655 -6.315 -9.002 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.445 -4.579 -9.131 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.756 -5.546 -9.655 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.707 -4.182 -8.644 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.952 -5.725 -7.978 1.00 24.98 H new ATOM 471 N ILE A 30 -2.578 -3.965 -5.501 1.00 4.57 N ATOM 472 CA ILE A 30 -3.677 -4.315 -4.636 1.00 5.58 C ATOM 473 C ILE A 30 -5.029 -4.372 -5.324 1.00 7.26 C ATOM 474 O ILE A 30 -5.831 -5.182 -4.956 1.00 9.46 O ATOM 475 CB ILE A 30 -3.673 -3.465 -3.383 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.319 -3.666 -2.642 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.808 -3.814 -2.400 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.148 -2.794 -1.373 1.00 2.00 C ATOM 0 H ILE A 30 -2.092 -3.123 -5.192 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.508 -5.348 -4.332 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.820 -2.434 -3.705 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.224 -4.715 -2.362 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.505 -3.445 -3.332 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.744 -3.166 -1.526 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.771 -3.669 -2.890 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.713 -4.854 -2.089 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.178 -2.997 -0.920 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.208 -1.740 -1.645 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.938 -3.030 -0.660 1.00 2.00 H new ATOM 490 N GLN A 31 -5.285 -3.501 -6.314 1.00 7.06 N ATOM 491 CA GLN A 31 -6.518 -3.560 -6.983 1.00 8.67 C ATOM 492 C GLN A 31 -6.562 -4.769 -7.889 1.00 10.90 C ATOM 493 O GLN A 31 -7.597 -5.401 -7.967 1.00 9.63 O ATOM 494 CB GLN A 31 -6.681 -2.296 -7.812 1.00 9.12 C ATOM 495 CG GLN A 31 -8.068 -2.146 -8.513 1.00 10.76 C ATOM 496 CD GLN A 31 -7.938 -1.460 -9.881 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.105 -0.537 -10.034 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.702 -1.913 -10.912 1.00 14.76 N ATOM 0 H GLN A 31 -4.645 -2.775 -6.637 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.326 -3.640 -6.255 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.521 -1.432 -7.167 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.901 -2.275 -8.573 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.521 -3.129 -8.640 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.737 -1.567 -7.877 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.372 -2.666 -10.758 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.604 -1.499 -11.839 1.00 14.76 H new ATOM 507 N ASP A 32 -5.398 -5.156 -8.518 1.00 10.93 N ATOM 508 CA ASP A 32 -5.186 -6.390 -9.304 1.00 14.01 C ATOM 509 C ASP A 32 -5.336 -7.691 -8.463 1.00 14.04 C ATOM 510 O ASP A 32 -5.916 -8.651 -8.875 1.00 13.39 O ATOM 511 CB ASP A 32 -3.802 -6.278 -9.992 1.00 18.01 C ATOM 512 CG ASP A 32 -3.728 -7.245 -11.101 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.590 -7.285 -12.006 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.724 -8.050 -11.028 1.00 25.17 O ATOM 0 H ASP A 32 -4.557 -4.580 -8.478 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.969 -6.475 -10.057 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.651 -5.266 -10.367 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.008 -6.473 -9.271 1.00 18.01 H new ATOM 519 N LYS A 33 -4.928 -7.645 -7.204 1.00 14.22 N ATOM 520 CA LYS A 33 -5.225 -8.744 -6.310 1.00 14.00 C ATOM 521 C LYS A 33 -6.639 -8.803 -5.700 1.00 12.37 C ATOM 522 O LYS A 33 -7.297 -9.850 -5.717 1.00 12.17 O ATOM 523 CB LYS A 33 -4.261 -8.873 -5.140 1.00 18.62 C ATOM 524 CG LYS A 33 -2.760 -9.040 -5.530 1.00 24.00 C ATOM 525 CD LYS A 33 -2.490 -10.276 -6.380 1.00 27.61 C ATOM 526 CE LYS A 33 -1.020 -10.329 -6.715 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.768 -11.444 -7.582 1.00 30.06 N ATOM 0 H LYS A 33 -4.402 -6.876 -6.789 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.123 -9.567 -7.018 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.360 -7.989 -4.510 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.560 -9.730 -4.536 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.433 -8.155 -6.075 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.160 -9.095 -4.622 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.786 -11.176 -5.841 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.084 -10.242 -7.294 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.712 -9.402 -7.198 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.431 -10.423 -5.803 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.245 -11.482 -7.814 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.047 -12.325 -7.105 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.319 -11.335 -8.457 1.00 30.06 H new ATOM 541 N GLU A 34 -7.147 -7.754 -5.020 1.00 10.11 N ATOM 542 CA GLU A 34 -8.267 -7.829 -4.137 1.00 10.07 C ATOM 543 C GLU A 34 -9.544 -7.017 -4.605 1.00 9.32 C ATOM 544 O GLU A 34 -10.518 -7.047 -3.927 1.00 11.61 O ATOM 545 CB GLU A 34 -7.815 -7.270 -2.775 1.00 14.77 C ATOM 546 CG GLU A 34 -7.104 -8.377 -1.981 1.00 18.75 C ATOM 547 CD GLU A 34 -8.159 -9.277 -1.306 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.793 -8.910 -0.286 1.00 25.19 O ATOM 549 OE2 GLU A 34 -8.293 -10.440 -1.702 1.00 21.95 O ATOM 0 H GLU A 34 -6.757 -6.814 -5.092 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.573 -8.875 -4.104 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.144 -6.424 -2.921 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.676 -6.902 -2.217 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.475 -8.970 -2.645 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.449 -7.938 -1.229 1.00 18.75 H new ATOM 556 N GLY A 35 -9.567 -6.448 -5.839 1.00 7.22 N ATOM 557 CA GLY A 35 -10.813 -5.770 -6.364 1.00 6.29 C ATOM 558 C GLY A 35 -11.162 -4.480 -5.740 1.00 6.93 C ATOM 559 O GLY A 35 -12.303 -4.059 -5.861 1.00 7.41 O ATOM 0 H GLY A 35 -8.774 -6.436 -6.480 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.691 -5.611 -7.435 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.654 -6.451 -6.236 1.00 6.29 H new ATOM 563 N ILE A 36 -10.235 -3.791 -4.955 1.00 5.86 N ATOM 564 CA ILE A 36 -10.519 -2.584 -4.147 1.00 6.07 C ATOM 565 C ILE A 36 -10.153 -1.335 -4.943 1.00 6.36 C ATOM 566 O ILE A 36 -8.990 -1.225 -5.266 1.00 6.18 O ATOM 567 CB ILE A 36 -9.681 -2.634 -2.880 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.021 -3.916 -2.052 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.892 -1.381 -1.970 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.035 -4.159 -0.870 1.00 9.49 C ATOM 0 H ILE A 36 -9.262 -4.088 -4.885 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.579 -2.552 -3.895 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.639 -2.651 -3.201 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.035 -3.830 -1.660 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.007 -4.783 -2.713 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.270 -1.469 -1.079 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.614 -0.481 -2.519 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.940 -1.317 -1.676 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.325 -5.063 -0.335 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.023 -4.276 -1.258 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.067 -3.308 -0.189 1.00 9.49 H new ATOM 582 N PRO A 37 -11.064 -0.415 -5.289 1.00 8.65 N ATOM 583 CA PRO A 37 -10.670 0.717 -6.081 1.00 9.18 C ATOM 584 C PRO A 37 -9.604 1.620 -5.490 1.00 9.85 C ATOM 585 O PRO A 37 -9.699 1.767 -4.246 1.00 8.51 O ATOM 586 CB PRO A 37 -11.960 1.452 -6.254 1.00 11.42 C ATOM 587 CG PRO A 37 -13.088 0.402 -6.181 1.00 9.27 C ATOM 588 CD PRO A 37 -12.518 -0.692 -5.324 1.00 8.33 C ATOM 0 HA PRO A 37 -10.186 0.384 -6.999 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.083 2.205 -5.476 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.981 1.975 -7.210 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.994 0.820 -5.742 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.354 0.034 -7.172 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.949 -0.678 -4.323 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.725 -1.675 -5.746 1.00 8.33 H new ATOM 596 N PRO A 38 -8.602 2.186 -6.178 1.00 8.71 N ATOM 597 CA PRO A 38 -7.418 2.746 -5.586 1.00 9.08 C ATOM 598 C PRO A 38 -7.663 3.938 -4.667 1.00 9.28 C ATOM 599 O PRO A 38 -6.800 4.289 -3.916 1.00 6.50 O ATOM 600 CB PRO A 38 -6.507 3.130 -6.749 1.00 10.31 C ATOM 601 CG PRO A 38 -7.495 3.276 -7.903 1.00 10.81 C ATOM 602 CD PRO A 38 -8.446 2.176 -7.633 1.00 12.00 C ATOM 0 HA PRO A 38 -6.970 2.003 -4.926 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.969 4.058 -6.555 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.758 2.363 -6.949 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.985 4.249 -7.900 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -7.009 3.167 -8.873 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.398 2.340 -8.137 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.060 1.220 -7.986 1.00 12.00 H new ATOM 610 N ASP A 39 -8.806 4.679 -4.838 1.00 11.20 N ATOM 611 CA ASP A 39 -8.966 5.955 -4.180 1.00 14.96 C ATOM 612 C ASP A 39 -9.654 5.635 -2.885 1.00 13.99 C ATOM 613 O ASP A 39 -9.716 6.459 -1.941 1.00 13.75 O ATOM 614 CB ASP A 39 -9.855 6.873 -5.086 1.00 24.16 C ATOM 615 CG ASP A 39 -9.117 7.141 -6.356 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.020 7.770 -6.161 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.426 6.679 -7.492 1.00 34.22 O ATOM 0 H ASP A 39 -9.595 4.395 -5.419 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.027 6.479 -4.004 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.808 6.388 -5.297 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.079 7.808 -4.573 1.00 24.16 H new ATOM 622 N GLN A 40 -10.264 4.429 -2.817 1.00 11.60 N ATOM 623 CA GLN A 40 -10.819 3.930 -1.563 1.00 10.76 C ATOM 624 C GLN A 40 -9.701 3.448 -0.590 1.00 8.01 C ATOM 625 O GLN A 40 -9.682 3.768 0.588 1.00 8.96 O ATOM 626 CB GLN A 40 -11.765 2.689 -1.789 1.00 11.14 C ATOM 627 CG GLN A 40 -12.765 2.330 -0.635 1.00 14.85 C ATOM 628 CD GLN A 40 -13.895 1.346 -1.034 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.934 0.317 -0.386 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.761 1.642 -2.028 1.00 18.16 N ATOM 0 H GLN A 40 -10.378 3.799 -3.611 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.373 4.769 -1.142 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.344 2.867 -2.695 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.139 1.817 -1.977 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.202 1.898 0.193 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.218 3.251 -0.267 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.675 2.523 -2.534 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.501 0.984 -2.272 1.00 18.16 H new ATOM 639 N GLN A 41 -8.734 2.682 -1.133 1.00 6.52 N ATOM 640 CA GLN A 41 -7.547 2.231 -0.379 1.00 3.87 C ATOM 641 C GLN A 41 -6.836 3.380 0.271 1.00 4.79 C ATOM 642 O GLN A 41 -6.638 4.498 -0.294 1.00 6.34 O ATOM 643 CB GLN A 41 -6.535 1.487 -1.314 1.00 4.20 C ATOM 644 CG GLN A 41 -6.953 0.156 -1.989 1.00 3.20 C ATOM 645 CD GLN A 41 -5.878 -0.391 -2.931 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.669 -0.398 -2.635 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.249 -0.877 -4.176 1.00 7.13 N ATOM 0 H GLN A 41 -8.753 2.360 -2.101 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.909 1.550 0.391 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.253 2.180 -2.107 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.637 1.288 -0.730 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.167 -0.585 -1.219 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.876 0.311 -2.548 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.232 -0.885 -4.448 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.539 -1.227 -4.819 1.00 7.13 H new ATOM 656 N ARG A 42 -6.360 3.112 1.547 1.00 5.73 N ATOM 657 CA ARG A 42 -5.466 3.978 2.251 1.00 6.97 C ATOM 658 C ARG A 42 -4.333 3.100 2.838 1.00 7.15 C ATOM 659 O ARG A 42 -4.521 2.019 3.348 1.00 7.33 O ATOM 660 CB ARG A 42 -6.201 4.683 3.405 1.00 13.23 C ATOM 661 CG ARG A 42 -7.068 5.855 2.906 1.00 21.27 C ATOM 662 CD ARG A 42 -7.577 6.782 4.017 1.00 26.14 C ATOM 663 NE ARG A 42 -8.001 8.094 3.327 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.631 9.056 4.072 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.914 8.781 5.385 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.800 10.271 3.572 1.00 36.39 N ATOM 0 H ARG A 42 -6.616 2.276 2.072 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.072 4.737 1.575 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.831 3.963 3.928 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.473 5.052 4.127 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.488 6.444 2.195 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.924 5.453 2.364 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.418 6.331 4.545 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.798 6.966 4.757 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.816 8.243 2.335 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.656 7.878 5.784 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.382 9.479 5.963 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.462 10.488 2.635 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.269 10.989 4.124 1.00 36.39 H new ATOM 680 N LEU A 43 -3.118 3.577 2.625 1.00 4.65 N ATOM 681 CA LEU A 43 -1.922 2.817 3.002 1.00 3.51 C ATOM 682 C LEU A 43 -1.288 3.544 4.164 1.00 5.56 C ATOM 683 O LEU A 43 -0.816 4.626 3.993 1.00 4.19 O ATOM 684 CB LEU A 43 -1.036 2.568 1.822 1.00 3.74 C ATOM 685 CG LEU A 43 -1.534 1.522 0.843 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.546 1.476 -0.272 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.618 0.136 1.446 1.00 6.41 C ATOM 0 H LEU A 43 -2.927 4.482 2.195 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.160 1.807 3.337 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.901 3.507 1.286 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.054 2.264 2.184 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.539 1.798 0.525 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.861 0.735 -1.007 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.488 2.455 -0.747 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.434 1.204 0.121 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.981 -0.566 0.695 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.629 -0.174 1.785 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.304 0.149 2.293 1.00 6.41 H new ATOM 699 N ILE A 44 -1.272 2.942 5.354 1.00 4.58 N ATOM 700 CA ILE A 44 -0.646 3.561 6.545 1.00 5.55 C ATOM 701 C ILE A 44 0.552 2.689 6.900 1.00 5.46 C ATOM 702 O ILE A 44 0.376 1.513 7.009 1.00 6.04 O ATOM 703 CB ILE A 44 -1.604 3.770 7.673 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.861 4.578 7.253 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.880 4.452 8.817 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.918 4.811 8.400 1.00 13.90 C ATOM 0 H ILE A 44 -1.683 2.025 5.529 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.315 4.576 6.326 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.967 2.793 7.991 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.540 5.548 6.873 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.350 4.058 6.429 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.572 4.608 9.644 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.053 3.825 9.150 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.493 5.414 8.481 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.759 5.384 8.009 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -4.274 3.849 8.767 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.452 5.361 9.217 1.00 13.90 H new ATOM 718 N PHE A 45 1.722 3.295 7.098 1.00 6.75 N ATOM 719 CA PHE A 45 2.898 2.652 7.692 1.00 4.70 C ATOM 720 C PHE A 45 3.711 3.719 8.433 1.00 6.34 C ATOM 721 O PHE A 45 3.881 4.879 8.062 1.00 5.45 O ATOM 722 CB PHE A 45 3.800 2.119 6.521 1.00 5.51 C ATOM 723 CG PHE A 45 5.243 1.834 6.773 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.654 0.616 7.286 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.127 2.822 6.335 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.048 0.444 7.501 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.513 2.566 6.448 1.00 6.64 C ATOM 728 CZ PHE A 45 8.006 1.421 7.049 1.00 6.84 C ATOM 0 H PHE A 45 1.884 4.270 6.845 1.00 6.75 H new ATOM 0 HA PHE A 45 2.593 1.850 8.364 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.346 1.200 6.152 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.748 2.847 5.712 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.947 -0.168 7.513 1.00 6.86 H new ATOM 0 HD2 PHE A 45 5.764 3.752 5.923 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.398 -0.439 8.015 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.211 3.289 6.052 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.067 1.266 7.174 1.00 6.84 H new ATOM 738 N ALA A 46 4.318 3.447 9.605 1.00 6.53 N ATOM 739 CA ALA A 46 5.260 4.281 10.317 1.00 7.15 C ATOM 740 C ALA A 46 4.694 5.536 10.882 1.00 9.00 C ATOM 741 O ALA A 46 5.440 6.446 11.203 1.00 11.15 O ATOM 742 CB ALA A 46 6.461 4.488 9.440 1.00 8.99 C ATOM 0 H ALA A 46 4.139 2.573 10.100 1.00 6.53 H new ATOM 0 HA ALA A 46 5.562 3.755 11.223 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.186 5.116 9.958 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.914 3.524 9.210 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.156 4.975 8.514 1.00 8.99 H new ATOM 748 N GLY A 47 3.361 5.553 10.997 1.00 9.35 N ATOM 749 CA GLY A 47 2.662 6.769 11.484 1.00 11.68 C ATOM 750 C GLY A 47 2.328 7.624 10.356 1.00 11.14 C ATOM 751 O GLY A 47 1.631 8.627 10.615 1.00 13.93 O ATOM 0 H GLY A 47 2.751 4.768 10.769 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.756 6.489 12.022 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.297 7.309 12.187 1.00 11.68 H new ATOM 755 N LYS A 48 2.632 7.205 9.121 1.00 10.47 N ATOM 756 CA LYS A 48 2.422 8.080 7.981 1.00 8.82 C ATOM 757 C LYS A 48 1.422 7.498 7.005 1.00 7.68 C ATOM 758 O LYS A 48 1.486 6.285 6.722 1.00 6.47 O ATOM 759 CB LYS A 48 3.777 8.150 7.185 1.00 9.74 C ATOM 760 CG LYS A 48 4.927 8.447 8.121 1.00 14.14 C ATOM 761 CD LYS A 48 6.262 8.533 7.341 1.00 16.32 C ATOM 762 CE LYS A 48 7.322 9.423 8.110 1.00 20.04 C ATOM 763 NZ LYS A 48 8.530 9.571 7.376 1.00 23.92 N ATOM 0 H LYS A 48 3.015 6.286 8.897 1.00 10.47 H new ATOM 0 HA LYS A 48 2.070 9.042 8.354 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.953 7.205 6.672 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.716 8.922 6.418 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.744 9.386 8.643 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.994 7.668 8.881 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.664 7.531 7.193 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.081 8.953 6.352 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.895 10.406 8.306 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.540 8.971 9.078 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.195 10.161 7.917 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.953 8.635 7.211 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.328 10.026 6.463 1.00 23.92 H new ATOM 777 N GLN A 49 0.473 8.326 6.465 1.00 8.89 N ATOM 778 CA GLN A 49 -0.528 7.888 5.571 1.00 7.18 C ATOM 779 C GLN A 49 0.105 8.111 4.140 1.00 8.23 C ATOM 780 O GLN A 49 0.229 9.203 3.570 1.00 9.70 O ATOM 781 CB GLN A 49 -1.826 8.712 5.753 1.00 11.67 C ATOM 782 CG GLN A 49 -2.962 8.184 4.814 1.00 15.82 C ATOM 783 CD GLN A 49 -4.264 9.036 4.853 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.470 9.739 5.873 1.00 23.23 O ATOM 785 NE2 GLN A 49 -5.080 9.018 3.775 1.00 20.67 N ATOM 0 H GLN A 49 0.424 9.323 6.673 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.814 6.849 5.734 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.153 8.658 6.791 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.628 9.762 5.536 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.589 8.156 3.790 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.203 7.158 5.094 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.857 8.424 2.976 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.919 9.598 3.760 1.00 20.67 H new ATOM 794 N LEU A 50 0.557 7.026 3.486 1.00 6.51 N ATOM 795 CA LEU A 50 1.385 6.994 2.345 1.00 7.41 C ATOM 796 C LEU A 50 0.857 7.642 1.108 1.00 8.27 C ATOM 797 O LEU A 50 -0.342 7.618 0.823 1.00 8.34 O ATOM 798 CB LEU A 50 1.972 5.632 2.006 1.00 7.13 C ATOM 799 CG LEU A 50 2.548 4.821 3.174 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.160 3.442 2.662 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.617 5.575 3.958 1.00 9.11 C ATOM 0 H LEU A 50 0.311 6.086 3.798 1.00 6.51 H new ATOM 0 HA LEU A 50 2.194 7.633 2.698 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.195 5.036 1.528 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.762 5.776 1.269 1.00 7.13 H new ATOM 0 HG LEU A 50 1.710 4.635 3.846 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.562 2.886 3.509 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.379 2.854 2.179 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.958 3.641 1.947 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.984 4.947 4.770 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.443 5.829 3.294 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.189 6.489 4.371 1.00 9.11 H new ATOM 813 N GLU A 51 1.693 8.260 0.288 1.00 9.43 N ATOM 814 CA GLU A 51 1.295 9.121 -0.800 1.00 11.90 C ATOM 815 C GLU A 51 1.650 8.672 -2.188 1.00 11.49 C ATOM 816 O GLU A 51 2.744 8.271 -2.493 1.00 9.88 O ATOM 817 CB GLU A 51 1.709 10.580 -0.631 1.00 16.56 C ATOM 818 CG GLU A 51 0.954 11.306 0.448 1.00 26.06 C ATOM 819 CD GLU A 51 1.536 12.657 0.809 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.698 12.638 1.237 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.751 13.672 0.809 1.00 32.13 O ATOM 0 H GLU A 51 2.705 8.168 0.371 1.00 9.43 H new ATOM 0 HA GLU A 51 0.211 9.037 -0.717 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.775 10.621 -0.406 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.562 11.101 -1.577 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.078 11.442 0.126 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.930 10.682 1.342 1.00 26.06 H new ATOM 828 N ASP A 52 0.725 8.849 -3.153 1.00 12.71 N ATOM 829 CA ASP A 52 0.806 8.323 -4.483 1.00 16.56 C ATOM 830 C ASP A 52 2.126 8.366 -5.244 1.00 15.83 C ATOM 831 O ASP A 52 2.624 7.333 -5.684 1.00 17.21 O ATOM 832 CB ASP A 52 -0.221 9.190 -5.315 1.00 21.05 C ATOM 833 CG ASP A 52 -1.640 8.932 -4.740 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.925 9.497 -3.696 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.481 8.251 -5.411 1.00 25.82 O ATOM 0 H ASP A 52 -0.126 9.389 -2.995 1.00 12.71 H new ATOM 0 HA ASP A 52 0.625 7.254 -4.373 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.031 10.248 -5.248 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.182 8.919 -6.370 1.00 21.05 H new ATOM 840 N GLY A 53 2.697 9.587 -5.361 1.00 15.00 N ATOM 841 CA GLY A 53 3.898 9.871 -6.166 1.00 11.77 C ATOM 842 C GLY A 53 5.177 9.582 -5.450 1.00 11.10 C ATOM 843 O GLY A 53 6.208 9.512 -6.135 1.00 11.25 O ATOM 0 H GLY A 53 2.327 10.413 -4.890 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.861 9.279 -7.081 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.886 10.919 -6.464 1.00 11.77 H new ATOM 847 N ARG A 54 5.100 9.354 -4.126 1.00 8.53 N ATOM 848 CA ARG A 54 6.079 8.756 -3.305 1.00 9.05 C ATOM 849 C ARG A 54 6.333 7.292 -3.593 1.00 8.96 C ATOM 850 O ARG A 54 5.465 6.529 -3.998 1.00 11.60 O ATOM 851 CB ARG A 54 5.840 9.056 -1.800 1.00 7.97 C ATOM 852 CG ARG A 54 6.016 10.515 -1.317 1.00 9.62 C ATOM 853 CD ARG A 54 7.432 11.083 -1.510 1.00 12.20 C ATOM 854 NE ARG A 54 7.659 12.485 -1.083 1.00 18.23 N ATOM 855 CZ ARG A 54 8.853 13.128 -1.030 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.842 12.807 -1.858 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.931 14.202 -0.263 1.00 23.38 N ATOM 0 H ARG A 54 4.271 9.618 -3.594 1.00 8.53 H new ATOM 0 HA ARG A 54 7.017 9.239 -3.577 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.826 8.742 -1.553 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.518 8.428 -1.222 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.308 11.149 -1.850 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.758 10.568 -0.259 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.130 10.446 -0.966 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.687 11.005 -2.567 1.00 12.20 H new ATOM 0 HE ARG A 54 6.837 13.019 -0.801 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.710 12.067 -2.547 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.733 13.301 -1.804 1.00 25.50 H new ATOM 0 HH21 ARG A 54 8.113 14.516 0.259 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.809 14.716 -0.193 1.00 23.38 H new ATOM 871 N THR A 55 7.645 6.882 -3.454 1.00 9.05 N ATOM 872 CA THR A 55 8.100 5.516 -3.704 1.00 9.03 C ATOM 873 C THR A 55 8.389 4.673 -2.447 1.00 8.15 C ATOM 874 O THR A 55 8.451 5.259 -1.392 1.00 5.91 O ATOM 875 CB THR A 55 9.318 5.374 -4.610 1.00 11.15 C ATOM 876 OG1 THR A 55 10.502 5.976 -4.027 1.00 11.95 O ATOM 877 CG2 THR A 55 9.037 6.048 -5.904 1.00 11.71 C ATOM 0 H THR A 55 8.394 7.511 -3.164 1.00 9.05 H new ATOM 0 HA THR A 55 7.218 5.131 -4.217 1.00 9.03 H new ATOM 0 HB THR A 55 9.508 4.310 -4.749 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.392 6.949 -3.996 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.902 5.952 -6.560 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.171 5.583 -6.376 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.831 7.104 -5.727 1.00 11.71 H new ATOM 885 N LEU A 56 8.489 3.316 -2.506 1.00 6.91 N ATOM 886 CA LEU A 56 8.802 2.566 -1.292 1.00 8.29 C ATOM 887 C LEU A 56 10.095 3.028 -0.614 1.00 8.05 C ATOM 888 O LEU A 56 10.195 3.212 0.585 1.00 10.17 O ATOM 889 CB LEU A 56 8.779 0.997 -1.589 1.00 6.60 C ATOM 890 CG LEU A 56 7.370 0.516 -2.069 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.465 -0.929 -2.553 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.342 0.670 -0.970 1.00 8.64 C ATOM 0 H LEU A 56 8.361 2.755 -3.348 1.00 6.91 H new ATOM 0 HA LEU A 56 8.020 2.779 -0.563 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.522 0.760 -2.350 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.061 0.453 -0.688 1.00 6.60 H new ATOM 0 HG LEU A 56 7.041 1.139 -2.900 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.484 -1.266 -2.888 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.172 -0.990 -3.381 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.807 -1.564 -1.736 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.371 0.329 -1.329 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.640 0.074 -0.107 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.273 1.719 -0.680 1.00 8.64 H new ATOM 904 N SER A 57 11.193 3.230 -1.451 1.00 8.92 N ATOM 905 CA SER A 57 12.588 3.567 -0.970 1.00 9.00 C ATOM 906 C SER A 57 12.683 4.857 -0.206 1.00 9.44 C ATOM 907 O SER A 57 13.447 5.005 0.704 1.00 10.91 O ATOM 908 CB SER A 57 13.545 3.602 -2.140 1.00 10.32 C ATOM 909 OG SER A 57 14.918 3.390 -1.769 1.00 13.59 O ATOM 0 H SER A 57 11.127 3.162 -2.467 1.00 8.92 H new ATOM 0 HA SER A 57 12.858 2.776 -0.270 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.251 2.840 -2.862 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.458 4.566 -2.641 1.00 10.32 H new ATOM 0 HG SER A 57 15.482 3.423 -2.570 1.00 13.59 H new ATOM 915 N ASP A 58 11.897 5.880 -0.630 1.00 9.11 N ATOM 916 CA ASP A 58 11.807 7.211 -0.009 1.00 7.91 C ATOM 917 C ASP A 58 11.372 7.046 1.444 1.00 9.12 C ATOM 918 O ASP A 58 11.908 7.692 2.340 1.00 8.61 O ATOM 919 CB ASP A 58 10.657 7.967 -0.750 1.00 8.41 C ATOM 920 CG ASP A 58 11.011 8.342 -2.205 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.160 8.667 -2.519 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.069 8.355 -3.032 1.00 11.70 O ATOM 0 H ASP A 58 11.289 5.789 -1.444 1.00 9.11 H new ATOM 0 HA ASP A 58 12.760 7.736 -0.065 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.763 7.344 -0.750 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.413 8.874 -0.197 1.00 8.41 H new ATOM 927 N TYR A 59 10.437 6.152 1.769 1.00 7.97 N ATOM 928 CA TYR A 59 10.005 5.853 3.121 1.00 8.45 C ATOM 929 C TYR A 59 10.846 4.751 3.806 1.00 10.98 C ATOM 930 O TYR A 59 10.593 4.350 4.944 1.00 12.95 O ATOM 931 CB TYR A 59 8.499 5.374 3.078 1.00 7.94 C ATOM 932 CG TYR A 59 7.623 6.336 2.444 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.305 7.495 3.183 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.828 6.058 1.312 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.261 8.399 2.804 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.840 6.889 0.942 1.00 6.52 C ATOM 937 CZ TYR A 59 5.549 8.114 1.630 1.00 6.76 C ATOM 938 OH TYR A 59 4.558 9.065 1.361 1.00 7.63 O ATOM 0 H TYR A 59 9.946 5.600 1.066 1.00 7.97 H new ATOM 0 HA TYR A 59 10.130 6.766 3.703 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.439 4.426 2.543 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.152 5.188 4.095 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.875 7.710 4.075 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.017 5.165 0.735 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.030 9.269 3.401 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.236 6.623 0.087 1.00 6.52 H new ATOM 0 HH TYR A 59 4.835 9.935 1.716 1.00 7.63 H new ATOM 948 N ASN A 60 11.870 4.260 3.144 1.00 12.38 N ATOM 949 CA ASN A 60 12.698 3.157 3.612 1.00 13.94 C ATOM 950 C ASN A 60 11.926 1.946 4.053 1.00 14.16 C ATOM 951 O ASN A 60 12.188 1.380 5.115 1.00 14.26 O ATOM 952 CB ASN A 60 13.818 3.532 4.592 1.00 19.23 C ATOM 953 CG ASN A 60 14.526 4.784 4.118 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.440 5.905 4.619 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.384 4.628 3.049 1.00 24.09 N ATOM 0 H ASN A 60 12.163 4.624 2.237 1.00 12.38 H new ATOM 0 HA ASN A 60 13.223 2.866 2.702 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.403 3.694 5.587 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.530 2.711 4.674 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.918 5.425 2.703 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.485 3.715 2.605 1.00 24.09 H new ATOM 962 N ILE A 61 11.131 1.496 3.115 1.00 11.08 N ATOM 963 CA ILE A 61 10.401 0.277 3.297 1.00 11.78 C ATOM 964 C ILE A 61 11.213 -0.888 2.858 1.00 13.74 C ATOM 965 O ILE A 61 11.639 -0.990 1.727 1.00 14.60 O ATOM 966 CB ILE A 61 9.093 0.294 2.548 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.147 1.323 3.206 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.356 -1.080 2.575 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.001 1.890 2.316 1.00 11.42 C ATOM 0 H ILE A 61 10.976 1.959 2.219 1.00 11.08 H new ATOM 0 HA ILE A 61 10.183 0.186 4.361 1.00 11.78 H new ATOM 0 HB ILE A 61 9.332 0.543 1.514 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.698 0.859 4.084 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.749 2.160 3.560 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.422 -1.003 2.019 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.988 -1.841 2.118 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.142 -1.358 3.607 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.409 2.600 2.893 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.429 2.394 1.449 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.362 1.073 1.982 1.00 11.42 H new ATOM 981 N GLN A 62 11.587 -1.756 3.832 1.00 13.97 N ATOM 982 CA GLN A 62 12.535 -2.832 3.562 1.00 15.52 C ATOM 983 C GLN A 62 11.830 -4.049 2.883 1.00 13.94 C ATOM 984 O GLN A 62 10.618 -4.089 2.749 1.00 12.15 O ATOM 985 CB GLN A 62 13.318 -3.258 4.778 1.00 19.53 C ATOM 986 CG GLN A 62 14.346 -2.149 5.255 1.00 26.38 C ATOM 987 CD GLN A 62 15.184 -2.381 6.513 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.406 -2.321 6.542 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.537 -2.865 7.627 1.00 32.71 N ATOM 0 H GLN A 62 11.245 -1.722 4.792 1.00 13.97 H new ATOM 0 HA GLN A 62 13.265 -2.425 2.863 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.627 -3.483 5.591 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.858 -4.178 4.555 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.038 -1.971 4.432 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.784 -1.227 5.404 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.519 -2.929 7.638 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.075 -3.160 8.442 1.00 32.71 H new ATOM 998 N LYS A 63 12.681 -5.065 2.518 1.00 11.73 N ATOM 999 CA LYS A 63 12.246 -6.337 2.032 1.00 11.97 C ATOM 1000 C LYS A 63 11.561 -7.086 3.126 1.00 10.41 C ATOM 1001 O LYS A 63 12.022 -7.212 4.239 1.00 9.59 O ATOM 1002 CB LYS A 63 13.455 -7.094 1.507 1.00 13.73 C ATOM 1003 CG LYS A 63 13.193 -8.496 0.933 1.00 16.98 C ATOM 1004 CD LYS A 63 14.497 -9.148 0.366 1.00 20.19 C ATOM 1005 CE LYS A 63 15.442 -9.816 1.341 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.535 -10.381 0.578 1.00 25.97 N ATOM 0 H LYS A 63 13.696 -4.979 2.570 1.00 11.73 H new ATOM 0 HA LYS A 63 11.530 -6.214 1.219 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.924 -6.490 0.730 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.177 -7.187 2.318 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.777 -9.135 1.712 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.446 -8.430 0.142 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.203 -9.891 -0.376 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.055 -8.374 -0.162 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.816 -9.094 2.067 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.925 -10.594 1.902 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.203 -10.849 1.223 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.162 -11.077 -0.099 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.025 -9.624 0.061 1.00 25.97 H new ATOM 1020 N GLU A 64 10.322 -7.530 2.924 1.00 10.04 N ATOM 1021 CA GLU A 64 9.494 -8.343 3.854 1.00 10.94 C ATOM 1022 C GLU A 64 8.907 -7.504 4.957 1.00 9.74 C ATOM 1023 O GLU A 64 8.377 -7.932 5.994 1.00 9.42 O ATOM 1024 CB GLU A 64 10.135 -9.685 4.362 1.00 18.31 C ATOM 1025 CG GLU A 64 10.388 -10.687 3.230 1.00 24.16 C ATOM 1026 CD GLU A 64 11.174 -11.796 3.818 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.318 -11.485 4.334 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.713 -12.932 3.784 1.00 31.72 O ATOM 0 H GLU A 64 9.826 -7.327 2.056 1.00 10.04 H new ATOM 0 HA GLU A 64 8.670 -8.702 3.237 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.077 -9.465 4.864 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.477 -10.139 5.103 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.447 -11.054 2.819 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.932 -10.217 2.411 1.00 24.16 H new ATOM 1035 N SER A 65 9.083 -6.170 4.842 1.00 6.85 N ATOM 1036 CA SER A 65 8.273 -5.210 5.628 1.00 6.90 C ATOM 1037 C SER A 65 6.808 -5.210 5.489 1.00 4.72 C ATOM 1038 O SER A 65 6.262 -5.643 4.485 1.00 3.91 O ATOM 1039 CB SER A 65 8.808 -3.746 5.274 1.00 7.28 C ATOM 1040 OG SER A 65 8.368 -2.766 6.211 1.00 10.56 O ATOM 0 H SER A 65 9.768 -5.737 4.223 1.00 6.85 H new ATOM 0 HA SER A 65 8.412 -5.536 6.659 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.898 -3.757 5.248 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.468 -3.469 4.276 1.00 7.28 H new ATOM 0 HG SER A 65 8.720 -1.888 5.956 1.00 10.56 H new ATOM 1046 N THR A 66 6.094 -4.808 6.551 1.00 4.48 N ATOM 1047 CA THR A 66 4.618 -4.903 6.614 1.00 3.80 C ATOM 1048 C THR A 66 4.069 -3.514 6.493 1.00 4.60 C ATOM 1049 O THR A 66 4.509 -2.627 7.199 1.00 5.33 O ATOM 1050 CB THR A 66 4.074 -5.562 7.838 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.822 -6.794 8.014 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.663 -5.950 7.567 1.00 3.40 C ATOM 0 H THR A 66 6.516 -4.409 7.389 1.00 4.48 H new ATOM 0 HA THR A 66 4.305 -5.550 5.794 1.00 3.80 H new ATOM 0 HB THR A 66 4.141 -4.905 8.705 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.498 -7.262 8.812 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.243 -6.434 8.449 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.080 -5.060 7.330 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.631 -6.640 6.724 1.00 3.40 H new ATOM 1060 N LEU A 67 3.097 -3.462 5.565 1.00 4.17 N ATOM 1061 CA LEU A 67 2.383 -2.282 5.235 1.00 3.85 C ATOM 1062 C LEU A 67 0.935 -2.498 5.589 1.00 3.80 C ATOM 1063 O LEU A 67 0.411 -3.560 5.342 1.00 5.54 O ATOM 1064 CB LEU A 67 2.563 -1.943 3.758 1.00 7.18 C ATOM 1065 CG LEU A 67 3.993 -1.618 3.276 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.879 -1.296 1.782 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.837 -0.562 4.076 1.00 11.66 C ATOM 0 H LEU A 67 2.802 -4.277 5.027 1.00 4.17 H new ATOM 0 HA LEU A 67 2.767 -1.432 5.799 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.192 -2.783 3.171 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.927 -1.088 3.528 1.00 7.18 H new ATOM 0 HG LEU A 67 4.601 -2.500 3.477 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.866 -1.057 1.385 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.474 -2.159 1.254 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.216 -0.442 1.643 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.815 -0.449 3.609 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.319 0.397 4.070 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.963 -0.900 5.104 1.00 11.66 H new ATOM 1079 N HIS A 68 0.291 -1.565 6.268 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.140 -1.810 6.735 1.00 4.17 C ATOM 1081 C HIS A 68 -2.077 -1.142 5.743 1.00 5.32 C ATOM 1082 O HIS A 68 -1.848 -0.101 5.176 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.386 -1.046 8.088 1.00 5.57 C ATOM 1084 CG HIS A 68 -2.674 -1.435 8.726 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -3.245 -2.699 8.638 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -3.564 -0.711 9.428 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -4.397 -2.666 9.341 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -4.653 -1.463 9.834 1.00 16.30 N ATOM 0 H HIS A 68 0.680 -0.656 6.520 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.303 -2.883 6.833 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.565 -1.253 8.775 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.384 0.028 7.903 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -2.865 -3.501 8.136 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -3.443 0.339 9.650 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -5.038 -3.523 9.485 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.202 -1.776 5.450 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.242 -1.438 4.516 1.00 3.97 C ATOM 1098 C LEU A 69 -5.543 -1.083 5.222 1.00 5.07 C ATOM 1099 O LEU A 69 -5.951 -1.904 6.053 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.386 -2.620 3.455 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.533 -2.509 2.449 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.333 -1.354 1.472 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.755 -3.760 1.604 1.00 9.96 C ATOM 0 H LEU A 69 -3.426 -2.649 5.928 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.972 -0.534 3.971 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.452 -2.692 2.898 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.504 -3.555 4.002 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.404 -2.348 3.084 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.172 -1.315 0.778 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.275 -0.416 2.024 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.408 -1.504 0.915 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.586 -3.594 0.919 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.852 -3.978 1.033 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.985 -4.603 2.256 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.023 0.129 5.058 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.293 0.584 5.616 1.00 6.26 C ATOM 1117 C VAL A 70 -8.151 1.124 4.441 1.00 9.22 C ATOM 1118 O VAL A 70 -7.664 1.281 3.320 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.416 1.457 6.881 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.432 0.816 7.871 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -7.022 2.933 6.580 1.00 8.54 C ATOM 0 H VAL A 70 -5.536 0.848 4.522 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.651 -0.326 6.098 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.435 1.494 7.267 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.447 1.370 8.809 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.723 -0.218 8.056 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.426 0.840 7.451 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -7.117 3.528 7.489 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.991 2.970 6.229 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.682 3.336 5.812 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.496 1.290 4.604 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.412 1.606 3.538 1.00 16.06 C ATOM 1133 C LEU A 71 -11.092 2.964 3.888 1.00 18.09 C ATOM 1134 O LEU A 71 -11.523 3.086 5.048 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.471 0.441 3.240 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.762 -0.851 2.808 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.808 -1.987 2.776 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.182 -0.592 1.454 1.00 19.57 C ATOM 0 H LEU A 71 -9.954 1.200 5.511 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.858 1.696 2.603 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.069 0.251 4.132 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.159 0.762 2.458 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.966 -1.147 3.491 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.327 -2.916 2.471 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.241 -2.111 3.769 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.596 -1.736 2.065 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.665 -1.485 1.103 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.982 -0.338 0.758 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.476 0.236 1.513 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.150 3.947 2.979 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.587 5.290 3.152 1.00 25.83 C ATOM 1152 C ARG A 72 -13.099 5.389 3.492 1.00 27.74 C ATOM 1153 O ARG A 72 -13.953 4.681 2.999 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.193 6.239 1.997 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.579 7.699 2.176 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.047 8.550 1.012 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.415 9.908 1.431 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.208 11.031 0.682 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.530 10.975 -0.485 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.599 12.210 1.168 1.00 35.02 N ATOM 0 H ARG A 72 -10.857 3.777 2.017 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.036 5.647 4.022 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.113 6.183 1.859 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.651 5.872 1.079 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.664 7.789 2.232 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.179 8.073 3.118 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.970 8.440 0.886 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.509 8.277 0.063 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.855 10.020 2.344 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.163 10.084 -0.820 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.385 11.824 -1.032 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.044 12.262 2.084 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.453 13.060 0.623 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.357 6.299 4.478 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.652 6.348 5.132 1.00 30.76 C ATOM 1176 C LEU A 73 -15.473 7.335 4.339 1.00 32.18 C ATOM 1177 O LEU A 73 -14.911 8.287 3.804 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.606 6.716 6.633 1.00 30.53 C ATOM 1179 CG LEU A 73 -13.861 5.746 7.579 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -13.361 6.444 8.844 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.658 4.532 8.021 1.00 29.11 C ATOM 0 H LEU A 73 -12.683 6.986 4.815 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.091 5.350 5.138 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.143 7.699 6.725 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.632 6.812 6.988 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.032 5.400 6.961 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -12.844 5.723 9.477 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -12.674 7.245 8.570 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -14.208 6.863 9.387 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.047 3.916 8.681 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.552 4.858 8.553 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.948 3.949 7.147 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.811 7.068 4.204 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.735 7.784 3.323 1.00 35.33 C ATOM 1195 C ARG A 74 -17.967 9.210 3.789 1.00 36.22 C ATOM 1196 O ARG A 74 -18.125 10.093 2.993 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.092 7.053 3.230 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.133 5.621 2.754 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.895 5.481 1.244 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.955 4.052 0.844 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.713 3.710 -0.442 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.493 4.536 -1.423 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.759 2.383 -0.819 1.00 41.93 N ATOM 0 H ARG A 74 -17.269 6.323 4.730 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.270 7.811 2.338 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.547 7.081 4.220 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.732 7.636 2.568 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.379 5.045 3.290 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.102 5.189 3.005 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.645 6.051 0.696 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.923 5.899 0.982 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.177 3.334 1.534 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.494 5.542 -1.253 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -18.320 4.178 -2.362 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.975 1.664 -0.129 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -18.577 2.122 -1.788 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.953 9.459 5.110 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.034 10.772 5.620 1.00 36.07 C ATOM 1219 C GLY A 75 -16.737 11.539 5.536 1.00 36.16 C ATOM 1220 O GLY A 75 -16.848 12.742 5.757 1.00 36.26 O ATOM 0 H GLY A 75 -17.884 8.734 5.824 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.804 11.317 5.074 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.353 10.728 6.661 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.527 10.935 5.146 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.202 11.528 5.132 1.00 36.19 C ATOM 1226 C GLY A 76 -13.485 11.311 3.790 1.00 36.20 C ATOM 1227 O GLY A 76 -12.433 10.565 3.773 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.875 11.828 2.722 1.00 0.00 O ATOM 0 H GLY A 76 -15.507 9.967 4.824 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.282 12.597 5.331 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.604 11.098 5.936 1.00 36.19 H new TER 1232 GLY A 76