USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.25 (180deg=1.12) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0673 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 0.317 (180deg=0.278) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc=-0.00902 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.28 K(o=-0.28,f=-3.1!) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 1.11 (180deg=0.86) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00101) USER MOD Single : A 31 GLN : amide:sc= -0.323 K(o=-0.32,f=-4.6!) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc=-0.00308 (180deg=-0.164) USER MOD Single : A 40 GLN : amide:sc= -0.153 K(o=-0.15,f=-2!) USER MOD Single : A 41 GLN : amide:sc= 0.344 K(o=0.34,f=-0.32) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 55 THR OG1 : rot -75:sc= 1.27 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00964 K(o=-0.0096,f=-1.3) 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 HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.303 0.586 -4.509 1.00 9.67 N ATOM 2 CA MET A 1 -11.462 1.351 -3.251 1.00 10.38 C ATOM 3 C MET A 1 -10.251 2.157 -2.930 1.00 9.62 C ATOM 4 O MET A 1 -9.153 1.975 -3.454 1.00 9.62 O ATOM 5 CB MET A 1 -12.008 0.483 -2.105 1.00 13.77 C ATOM 6 CG MET A 1 -11.125 -0.679 -1.643 1.00 16.29 C ATOM 7 SD MET A 1 -9.751 -0.291 -0.518 1.00 17.17 S ATOM 8 CE MET A 1 -9.256 -1.920 0.112 1.00 16.11 C ATOM 0 H1 MET A 1 -11.876 -0.280 -4.463 1.00 9.67 H new ATOM 0 H2 MET A 1 -11.618 1.168 -5.311 1.00 9.67 H new ATOM 0 H3 MET A 1 -10.303 0.333 -4.637 1.00 9.67 H new ATOM 0 HA MET A 1 -12.242 2.096 -3.405 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.196 1.130 -1.248 1.00 13.77 H new ATOM 0 HB3 MET A 1 -12.971 0.077 -2.415 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.764 -1.413 -1.153 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.709 -1.159 -2.529 1.00 16.29 H new ATOM 0 HE1 MET A 1 -8.425 -1.804 0.808 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.098 -2.382 0.627 1.00 16.11 H new ATOM 0 HE3 MET A 1 -8.947 -2.553 -0.720 1.00 16.11 H new ATOM 20 N GLN A 2 -10.322 3.193 -2.075 1.00 9.27 N ATOM 21 CA GLN A 2 -9.198 4.062 -1.918 1.00 9.07 C ATOM 22 C GLN A 2 -8.483 3.710 -0.659 1.00 8.72 C ATOM 23 O GLN A 2 -9.094 3.635 0.406 1.00 8.22 O ATOM 24 CB GLN A 2 -9.600 5.545 -1.979 1.00 14.46 C ATOM 25 CG GLN A 2 -10.129 6.026 -3.332 1.00 17.01 C ATOM 26 CD GLN A 2 -10.762 7.409 -3.257 1.00 20.10 C ATOM 27 OE1 GLN A 2 -10.041 8.336 -3.622 1.00 21.89 O ATOM 28 NE2 GLN A 2 -11.982 7.611 -2.692 1.00 19.49 N ATOM 0 H GLN A 2 -11.136 3.425 -1.506 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.515 3.917 -2.755 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.364 5.728 -1.223 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -8.734 6.150 -1.710 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.311 6.044 -4.052 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.865 5.313 -3.704 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -12.549 6.814 -2.403 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -12.331 8.560 -2.557 1.00 19.49 H new ATOM 37 N ILE A 3 -7.151 3.529 -0.624 1.00 5.87 N ATOM 38 CA ILE A 3 -6.334 3.536 0.550 1.00 5.07 C ATOM 39 C ILE A 3 -5.412 4.693 0.374 1.00 4.01 C ATOM 40 O ILE A 3 -5.184 5.184 -0.730 1.00 4.61 O ATOM 41 CB ILE A 3 -5.514 2.292 0.723 1.00 6.55 C ATOM 42 CG1 ILE A 3 -4.737 1.931 -0.555 1.00 4.72 C ATOM 43 CG2 ILE A 3 -6.526 1.257 1.242 1.00 5.58 C ATOM 44 CD1 ILE A 3 -3.916 0.650 -0.414 1.00 10.83 C ATOM 0 H ILE A 3 -6.609 3.367 -1.473 1.00 5.87 H new ATOM 0 HA ILE A 3 -6.971 3.598 1.432 1.00 5.07 H new ATOM 0 HB ILE A 3 -4.694 2.384 1.436 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.440 1.816 -1.380 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.072 2.755 -0.814 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.022 0.304 1.402 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -6.952 1.605 2.183 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.322 1.128 0.509 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -3.391 0.449 -1.348 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.191 0.769 0.391 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -4.579 -0.184 -0.184 1.00 10.83 H new ATOM 56 N PHE A 4 -4.910 5.181 1.523 1.00 4.55 N ATOM 57 CA PHE A 4 -4.029 6.302 1.640 1.00 4.68 C ATOM 58 C PHE A 4 -2.764 5.848 2.282 1.00 5.30 C ATOM 59 O PHE A 4 -2.673 5.238 3.346 1.00 5.58 O ATOM 60 CB PHE A 4 -4.670 7.426 2.471 1.00 4.83 C ATOM 61 CG PHE A 4 -5.939 7.899 1.851 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.997 8.590 0.664 1.00 6.69 C ATOM 63 CD2 PHE A 4 -7.096 7.526 2.495 1.00 8.34 C ATOM 64 CE1 PHE A 4 -7.208 8.755 0.034 1.00 9.10 C ATOM 65 CE2 PHE A 4 -8.301 7.741 1.869 1.00 10.61 C ATOM 66 CZ PHE A 4 -8.377 8.395 0.661 1.00 8.90 C ATOM 0 H PHE A 4 -5.134 4.766 2.427 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.824 6.701 0.647 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.868 7.067 3.481 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.973 8.259 2.559 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.098 9.000 0.229 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -7.058 7.073 3.474 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -7.241 9.171 -0.962 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -9.209 7.388 2.336 1.00 10.61 H new ATOM 0 HZ PHE A 4 -9.334 8.621 0.215 1.00 8.90 H new ATOM 76 N VAL A 5 -1.644 6.144 1.598 1.00 4.44 N ATOM 77 CA VAL A 5 -0.320 5.796 2.013 1.00 3.87 C ATOM 78 C VAL A 5 0.502 6.983 2.377 1.00 4.93 C ATOM 79 O VAL A 5 0.901 7.801 1.548 1.00 6.84 O ATOM 80 CB VAL A 5 0.464 5.094 0.944 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.819 4.654 1.523 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.354 3.831 0.628 1.00 9.13 C ATOM 0 H VAL A 5 -1.663 6.650 0.713 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.489 5.147 2.872 1.00 3.87 H new ATOM 0 HB VAL A 5 0.635 5.725 0.072 1.00 2.99 H new ATOM 0 HG11 VAL A 5 2.395 4.143 0.752 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.369 5.530 1.867 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.654 3.977 2.361 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.150 3.256 -0.148 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.447 3.223 1.528 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.346 4.118 0.280 1.00 9.13 H new ATOM 92 N LYS A 6 0.720 7.178 3.690 1.00 6.04 N ATOM 93 CA LYS A 6 1.432 8.340 4.123 1.00 6.12 C ATOM 94 C LYS A 6 2.894 8.090 4.255 1.00 6.57 C ATOM 95 O LYS A 6 3.329 6.979 4.555 1.00 5.76 O ATOM 96 CB LYS A 6 0.744 8.740 5.439 1.00 7.45 C ATOM 97 CG LYS A 6 -0.655 9.318 5.219 1.00 11.12 C ATOM 98 CD LYS A 6 -1.303 9.844 6.502 1.00 14.54 C ATOM 99 CE LYS A 6 -2.698 10.448 6.325 1.00 18.84 C ATOM 100 NZ LYS A 6 -3.091 11.121 7.584 1.00 20.55 N ATOM 0 H LYS A 6 0.413 6.551 4.434 1.00 6.04 H new ATOM 0 HA LYS A 6 1.391 9.153 3.399 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.675 7.867 6.088 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.359 9.475 5.958 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.595 10.128 4.492 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.294 8.548 4.787 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.367 9.026 7.220 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.649 10.600 6.937 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.699 11.161 5.500 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.417 9.669 6.073 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -4.039 11.536 7.475 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -3.104 10.428 8.359 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.407 11.873 7.804 1.00 20.55 H new ATOM 114 N THR A 7 3.722 9.133 4.065 1.00 7.41 N ATOM 115 CA THR A 7 5.150 9.093 4.107 1.00 7.48 C ATOM 116 C THR A 7 5.721 9.666 5.358 1.00 8.75 C ATOM 117 O THR A 7 5.019 9.867 6.348 1.00 8.58 O ATOM 118 CB THR A 7 5.752 9.708 2.879 1.00 9.61 C ATOM 119 OG1 THR A 7 5.201 10.971 2.536 1.00 11.78 O ATOM 120 CG2 THR A 7 5.262 8.815 1.727 1.00 9.17 C ATOM 0 H THR A 7 3.367 10.069 3.868 1.00 7.41 H new ATOM 0 HA THR A 7 5.425 8.038 4.118 1.00 7.48 H new ATOM 0 HB THR A 7 6.825 9.806 3.045 1.00 9.61 H new ATOM 0 HG1 THR A 7 5.641 11.312 1.729 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.655 9.191 0.783 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.610 7.794 1.884 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.172 8.826 1.696 1.00 9.17 H new ATOM 128 N LEU A 8 7.039 9.932 5.392 1.00 9.84 N ATOM 129 CA LEU A 8 7.740 10.620 6.431 1.00 14.15 C ATOM 130 C LEU A 8 7.402 12.067 6.538 1.00 17.37 C ATOM 131 O LEU A 8 6.843 12.406 7.580 1.00 17.01 O ATOM 132 CB LEU A 8 9.272 10.504 6.361 1.00 16.63 C ATOM 133 CG LEU A 8 10.034 10.979 7.610 1.00 18.88 C ATOM 134 CD1 LEU A 8 11.429 10.331 7.604 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.333 12.486 7.679 1.00 19.31 C ATOM 0 H LEU A 8 7.660 9.644 4.636 1.00 9.84 H new ATOM 0 HA LEU A 8 7.387 10.095 7.318 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.531 9.462 6.174 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.623 11.078 5.504 1.00 16.63 H new ATOM 0 HG LEU A 8 9.381 10.710 8.440 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.985 10.656 8.483 1.00 18.59 H new ATOM 0 HD12 LEU A 8 11.326 9.246 7.621 1.00 18.59 H new ATOM 0 HD13 LEU A 8 11.966 10.631 6.704 1.00 18.59 H new ATOM 0 HD21 LEU A 8 10.872 12.708 8.600 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.942 12.776 6.823 1.00 19.31 H new ATOM 0 HD23 LEU A 8 9.397 13.044 7.664 1.00 19.31 H new ATOM 147 N THR A 9 7.671 12.885 5.505 1.00 18.33 N ATOM 148 CA THR A 9 7.393 14.283 5.385 1.00 19.24 C ATOM 149 C THR A 9 5.928 14.555 5.415 1.00 19.48 C ATOM 150 O THR A 9 5.527 15.552 6.013 1.00 23.14 O ATOM 151 CB THR A 9 8.032 14.912 4.183 1.00 18.97 C ATOM 152 OG1 THR A 9 7.582 14.346 2.960 1.00 20.24 O ATOM 153 CG2 THR A 9 9.549 14.711 4.337 1.00 19.70 C ATOM 0 H THR A 9 8.131 12.527 4.668 1.00 18.33 H new ATOM 0 HA THR A 9 7.847 14.753 6.258 1.00 19.24 H new ATOM 0 HB THR A 9 7.761 15.967 4.138 1.00 18.97 H new ATOM 0 HG1 THR A 9 8.027 14.792 2.210 1.00 20.24 H new ATOM 0 HG21 THR A 9 10.063 15.153 3.484 1.00 19.70 H new ATOM 0 HG22 THR A 9 9.889 15.192 5.254 1.00 19.70 H new ATOM 0 HG23 THR A 9 9.772 13.645 4.383 1.00 19.70 H new ATOM 161 N GLY A 10 5.136 13.636 4.834 1.00 19.43 N ATOM 162 CA GLY A 10 3.723 13.674 5.053 1.00 18.74 C ATOM 163 C GLY A 10 2.989 14.141 3.844 1.00 17.62 C ATOM 164 O GLY A 10 2.186 15.070 3.778 1.00 19.74 O ATOM 0 H GLY A 10 5.463 12.884 4.227 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.371 12.680 5.331 1.00 18.74 H new ATOM 0 HA3 GLY A 10 3.502 14.336 5.891 1.00 18.74 H new ATOM 168 N LYS A 11 3.222 13.492 2.689 1.00 13.56 N ATOM 169 CA LYS A 11 2.389 13.532 1.528 1.00 11.91 C ATOM 170 C LYS A 11 1.452 12.400 1.776 1.00 10.18 C ATOM 171 O LYS A 11 1.739 11.329 2.308 1.00 9.10 O ATOM 172 CB LYS A 11 3.091 13.411 0.165 1.00 13.43 C ATOM 173 CG LYS A 11 2.139 13.171 -1.009 1.00 16.69 C ATOM 174 CD LYS A 11 2.866 13.460 -2.323 1.00 17.92 C ATOM 175 CE LYS A 11 3.523 12.228 -2.951 1.00 20.81 C ATOM 176 NZ LYS A 11 3.908 12.573 -4.337 1.00 21.93 N ATOM 0 H LYS A 11 4.044 12.903 2.559 1.00 13.56 H new ATOM 0 HA LYS A 11 1.924 14.512 1.423 1.00 11.91 H new ATOM 0 HB2 LYS A 11 3.658 14.323 -0.022 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.809 12.592 0.210 1.00 13.43 H new ATOM 0 HG2 LYS A 11 1.783 12.141 -0.997 1.00 16.69 H new ATOM 0 HG3 LYS A 11 1.263 13.813 -0.917 1.00 16.69 H new ATOM 0 HD2 LYS A 11 2.157 13.884 -3.034 1.00 17.92 H new ATOM 0 HD3 LYS A 11 3.630 14.217 -2.146 1.00 17.92 H new ATOM 0 HE2 LYS A 11 4.399 11.928 -2.376 1.00 20.81 H new ATOM 0 HE3 LYS A 11 2.833 11.384 -2.946 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 4.327 11.740 -4.798 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 3.065 12.875 -4.866 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 4.603 13.347 -4.322 1.00 21.93 H new ATOM 190 N THR A 12 0.183 12.676 1.426 1.00 9.63 N ATOM 191 CA THR A 12 -0.759 11.621 1.217 1.00 9.85 C ATOM 192 C THR A 12 -0.690 11.026 -0.147 1.00 11.66 C ATOM 193 O THR A 12 -1.170 11.706 -1.053 1.00 12.33 O ATOM 194 CB THR A 12 -2.145 12.138 1.468 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.205 12.643 2.794 1.00 10.91 O ATOM 196 CG2 THR A 12 -3.141 10.969 1.548 1.00 9.63 C ATOM 0 H THR A 12 -0.187 13.617 1.289 1.00 9.63 H new ATOM 0 HA THR A 12 -0.505 10.826 1.918 1.00 9.85 H new ATOM 0 HB THR A 12 -2.370 12.858 0.681 1.00 10.85 H new ATOM 0 HG1 THR A 12 -3.105 12.987 2.973 1.00 10.91 H new ATOM 0 HG21 THR A 12 -4.143 11.357 1.730 1.00 9.63 H new ATOM 0 HG22 THR A 12 -3.131 10.417 0.608 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.856 10.303 2.362 1.00 9.63 H new ATOM 204 N ILE A 13 -0.222 9.770 -0.259 1.00 10.42 N ATOM 205 CA ILE A 13 -0.348 9.097 -1.514 1.00 11.84 C ATOM 206 C ILE A 13 -1.675 8.421 -1.521 1.00 10.55 C ATOM 207 O ILE A 13 -2.043 7.675 -0.616 1.00 11.92 O ATOM 208 CB ILE A 13 0.760 8.119 -1.770 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.156 8.757 -1.669 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.558 7.441 -3.136 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.287 7.733 -1.745 1.00 16.46 C ATOM 0 H ILE A 13 0.226 9.238 0.487 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.274 9.826 -2.321 1.00 11.84 H new ATOM 0 HB ILE A 13 0.715 7.364 -0.985 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.276 9.483 -2.473 1.00 14.87 H new ATOM 0 HG13 ILE A 13 2.232 9.305 -0.730 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.367 6.733 -3.314 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.395 6.912 -3.142 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.559 8.197 -3.921 1.00 17.08 H new ATOM 0 HD11 ILE A 13 4.247 8.244 -1.668 1.00 16.46 H new ATOM 0 HD12 ILE A 13 3.189 7.021 -0.926 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.234 7.202 -2.696 1.00 16.46 H new ATOM 223 N THR A 14 -2.477 8.749 -2.550 1.00 9.39 N ATOM 224 CA THR A 14 -3.765 8.154 -2.725 1.00 9.63 C ATOM 225 C THR A 14 -3.609 6.997 -3.652 1.00 11.20 C ATOM 226 O THR A 14 -3.232 7.128 -4.815 1.00 11.63 O ATOM 227 CB THR A 14 -4.702 9.142 -3.354 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.954 10.273 -2.533 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.017 8.508 -3.837 1.00 11.66 C ATOM 0 H THR A 14 -2.230 9.432 -3.266 1.00 9.39 H new ATOM 0 HA THR A 14 -4.165 7.840 -1.761 1.00 9.63 H new ATOM 0 HB THR A 14 -4.174 9.498 -4.239 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.568 10.882 -2.994 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.650 9.276 -4.282 1.00 11.66 H new ATOM 0 HG22 THR A 14 -5.800 7.742 -4.581 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.535 8.056 -2.991 1.00 11.66 H new ATOM 237 N LEU A 15 -3.843 5.741 -3.233 1.00 8.29 N ATOM 238 CA LEU A 15 -3.937 4.625 -4.122 1.00 9.03 C ATOM 239 C LEU A 15 -5.300 4.045 -4.290 1.00 8.59 C ATOM 240 O LEU A 15 -6.067 3.962 -3.332 1.00 7.79 O ATOM 241 CB LEU A 15 -2.940 3.509 -3.766 1.00 11.08 C ATOM 242 CG LEU A 15 -1.441 3.817 -3.614 1.00 15.79 C ATOM 243 CD1 LEU A 15 -0.705 2.524 -3.223 1.00 15.27 C ATOM 244 CD2 LEU A 15 -0.850 4.427 -4.896 1.00 15.88 C ATOM 0 H LEU A 15 -3.970 5.495 -2.251 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.676 5.060 -5.087 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.274 3.068 -2.827 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.034 2.739 -4.531 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.311 4.562 -2.829 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.360 2.731 -3.112 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.102 2.150 -2.279 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -0.850 1.774 -4.000 1.00 15.27 H new ATOM 0 HD21 LEU A 15 0.211 4.630 -4.747 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -0.973 3.727 -5.722 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.368 5.357 -5.129 1.00 15.88 H new ATOM 256 N GLU A 16 -5.699 3.770 -5.544 1.00 11.04 N ATOM 257 CA GLU A 16 -6.945 3.120 -5.805 1.00 11.50 C ATOM 258 C GLU A 16 -6.597 1.716 -6.165 1.00 10.13 C ATOM 259 O GLU A 16 -6.043 1.445 -7.228 1.00 9.83 O ATOM 260 CB GLU A 16 -7.703 3.778 -6.971 1.00 17.22 C ATOM 261 CG GLU A 16 -8.602 4.928 -6.514 1.00 23.33 C ATOM 262 CD GLU A 16 -9.030 5.848 -7.648 1.00 26.99 C ATOM 263 OE1 GLU A 16 -8.352 5.886 -8.710 1.00 28.86 O ATOM 264 OE2 GLU A 16 -10.089 6.499 -7.439 1.00 28.90 O ATOM 0 H GLU A 16 -5.158 3.998 -6.378 1.00 11.04 H new ATOM 0 HA GLU A 16 -7.598 3.183 -4.934 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -6.985 4.151 -7.702 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -8.310 3.026 -7.476 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.490 4.517 -6.035 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.076 5.513 -5.760 1.00 23.33 H new ATOM 271 N VAL A 17 -6.925 0.792 -5.244 1.00 8.99 N ATOM 272 CA VAL A 17 -6.732 -0.622 -5.154 1.00 8.85 C ATOM 273 C VAL A 17 -8.018 -1.363 -5.020 1.00 8.04 C ATOM 274 O VAL A 17 -9.023 -0.838 -4.544 1.00 8.99 O ATOM 275 CB VAL A 17 -5.837 -0.912 -3.986 1.00 9.78 C ATOM 276 CG1 VAL A 17 -4.517 -0.139 -4.146 1.00 12.05 C ATOM 277 CG2 VAL A 17 -6.609 -0.671 -2.678 1.00 10.54 C ATOM 0 H VAL A 17 -7.418 1.108 -4.409 1.00 8.99 H new ATOM 0 HA VAL A 17 -6.271 -0.965 -6.080 1.00 8.85 H new ATOM 0 HB VAL A 17 -5.541 -1.960 -3.946 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -3.867 -0.350 -3.297 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -4.023 -0.449 -5.067 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -4.724 0.930 -4.187 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -5.960 -0.881 -1.828 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -6.937 0.367 -2.635 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -7.478 -1.328 -2.642 1.00 10.54 H new ATOM 287 N GLU A 18 -8.123 -2.627 -5.469 1.00 7.29 N ATOM 288 CA GLU A 18 -9.190 -3.504 -5.102 1.00 7.08 C ATOM 289 C GLU A 18 -8.780 -4.254 -3.881 1.00 6.45 C ATOM 290 O GLU A 18 -7.597 -4.496 -3.647 1.00 5.28 O ATOM 291 CB GLU A 18 -9.577 -4.522 -6.188 1.00 10.28 C ATOM 292 CG GLU A 18 -10.229 -3.889 -7.419 1.00 12.65 C ATOM 293 CD GLU A 18 -11.430 -2.995 -7.146 1.00 14.15 C ATOM 294 OE1 GLU A 18 -12.466 -3.454 -6.595 1.00 14.33 O ATOM 295 OE2 GLU A 18 -11.403 -1.800 -7.543 1.00 18.17 O ATOM 0 H GLU A 18 -7.447 -3.050 -6.105 1.00 7.29 H new ATOM 0 HA GLU A 18 -10.066 -2.877 -4.939 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -8.685 -5.065 -6.499 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -10.263 -5.254 -5.760 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -9.475 -3.303 -7.945 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -10.540 -4.687 -8.093 1.00 12.65 H new ATOM 302 N PRO A 19 -9.630 -4.603 -2.963 1.00 7.24 N ATOM 303 CA PRO A 19 -9.408 -5.440 -1.819 1.00 7.07 C ATOM 304 C PRO A 19 -9.017 -6.823 -2.213 1.00 6.65 C ATOM 305 O PRO A 19 -8.447 -7.543 -1.395 1.00 6.37 O ATOM 306 CB PRO A 19 -10.664 -5.530 -0.955 1.00 7.61 C ATOM 307 CG PRO A 19 -11.745 -5.276 -2.017 1.00 8.16 C ATOM 308 CD PRO A 19 -11.051 -4.288 -2.969 1.00 7.49 C ATOM 0 HA PRO A 19 -8.596 -4.981 -1.255 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -10.771 -6.504 -0.478 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -10.677 -4.783 -0.162 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -12.036 -6.194 -2.527 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -12.650 -4.852 -1.582 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -11.459 -4.374 -3.976 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -11.218 -3.261 -2.645 1.00 7.49 H new ATOM 316 N SER A 20 -9.281 -7.222 -3.470 1.00 6.80 N ATOM 317 CA SER A 20 -8.883 -8.466 -4.054 1.00 6.28 C ATOM 318 C SER A 20 -7.488 -8.367 -4.570 1.00 8.45 C ATOM 319 O SER A 20 -6.951 -9.395 -4.978 1.00 7.26 O ATOM 320 CB SER A 20 -9.850 -8.740 -5.218 1.00 8.57 C ATOM 321 OG SER A 20 -9.951 -7.723 -6.204 1.00 11.13 O ATOM 0 H SER A 20 -9.806 -6.638 -4.120 1.00 6.80 H new ATOM 0 HA SER A 20 -8.914 -9.269 -3.318 1.00 6.28 H new ATOM 0 HB2 SER A 20 -9.542 -9.663 -5.709 1.00 8.57 H new ATOM 0 HB3 SER A 20 -10.843 -8.915 -4.804 1.00 8.57 H new ATOM 0 HG SER A 20 -10.588 -8.000 -6.895 1.00 11.13 H new ATOM 327 N ASP A 21 -6.800 -7.212 -4.609 1.00 7.50 N ATOM 328 CA ASP A 21 -5.452 -7.198 -5.087 1.00 7.70 C ATOM 329 C ASP A 21 -4.492 -7.633 -4.034 1.00 7.08 C ATOM 330 O ASP A 21 -4.858 -7.664 -2.860 1.00 8.11 O ATOM 331 CB ASP A 21 -5.054 -5.766 -5.483 1.00 11.00 C ATOM 332 CG ASP A 21 -5.752 -5.153 -6.688 1.00 15.32 C ATOM 333 OD1 ASP A 21 -6.296 -5.837 -7.596 1.00 18.03 O ATOM 334 OD2 ASP A 21 -5.796 -3.894 -6.733 1.00 14.36 O ATOM 0 H ASP A 21 -7.166 -6.306 -4.317 1.00 7.50 H new ATOM 0 HA ASP A 21 -5.409 -7.880 -5.936 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -5.232 -5.118 -4.625 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -3.981 -5.755 -5.674 1.00 11.00 H new ATOM 339 N THR A 22 -3.225 -7.961 -4.343 1.00 5.37 N ATOM 340 CA THR A 22 -2.114 -8.179 -3.469 1.00 6.01 C ATOM 341 C THR A 22 -1.397 -6.926 -3.101 1.00 8.01 C ATOM 342 O THR A 22 -1.574 -5.879 -3.721 1.00 8.11 O ATOM 343 CB THR A 22 -1.149 -9.202 -3.989 1.00 8.92 C ATOM 344 OG1 THR A 22 -0.467 -8.841 -5.182 1.00 10.22 O ATOM 345 CG2 THR A 22 -2.052 -10.405 -4.311 1.00 9.65 C ATOM 0 H THR A 22 -2.952 -8.087 -5.318 1.00 5.37 H new ATOM 0 HA THR A 22 -2.560 -8.578 -2.558 1.00 6.01 H new ATOM 0 HB THR A 22 -0.362 -9.364 -3.253 1.00 8.92 H new ATOM 0 HG1 THR A 22 0.139 -9.565 -5.444 1.00 10.22 H new ATOM 0 HG21 THR A 22 -1.445 -11.221 -4.703 1.00 9.65 H new ATOM 0 HG22 THR A 22 -2.559 -10.733 -3.403 1.00 9.65 H new ATOM 0 HG23 THR A 22 -2.793 -10.115 -5.055 1.00 9.65 H new ATOM 353 N ILE A 23 -0.572 -7.027 -2.043 1.00 8.32 N ATOM 354 CA ILE A 23 0.244 -5.985 -1.502 1.00 9.92 C ATOM 355 C ILE A 23 1.317 -5.617 -2.469 1.00 10.01 C ATOM 356 O ILE A 23 1.671 -4.455 -2.663 1.00 8.71 O ATOM 357 CB ILE A 23 0.836 -6.446 -0.203 1.00 10.78 C ATOM 358 CG1 ILE A 23 -0.189 -6.725 0.908 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.742 -5.348 0.379 1.00 10.90 C ATOM 360 CD1 ILE A 23 -1.356 -5.771 1.158 1.00 12.30 C ATOM 0 H ILE A 23 -0.469 -7.902 -1.529 1.00 8.32 H new ATOM 0 HA ILE A 23 -0.366 -5.100 -1.321 1.00 9.92 H new ATOM 0 HB ILE A 23 1.355 -7.369 -0.462 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -0.617 -7.708 0.709 1.00 11.38 H new ATOM 0 HG13 ILE A 23 0.366 -6.803 1.843 1.00 11.38 H new ATOM 0 HG21 ILE A 23 2.168 -5.690 1.322 1.00 10.90 H new ATOM 0 HG22 ILE A 23 2.546 -5.129 -0.324 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.155 -4.446 0.552 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -1.962 -6.146 1.983 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -0.971 -4.783 1.411 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -1.969 -5.702 0.259 1.00 12.30 H new ATOM 372 N GLU A 24 1.855 -6.599 -3.214 1.00 9.54 N ATOM 373 CA GLU A 24 2.709 -6.418 -4.347 1.00 11.81 C ATOM 374 C GLU A 24 2.215 -5.480 -5.394 1.00 11.14 C ATOM 375 O GLU A 24 2.809 -4.455 -5.723 1.00 10.62 O ATOM 376 CB GLU A 24 3.013 -7.815 -4.914 1.00 19.24 C ATOM 377 CG GLU A 24 4.027 -7.915 -6.055 1.00 27.76 C ATOM 378 CD GLU A 24 4.380 -9.295 -6.592 1.00 32.92 C ATOM 379 OE1 GLU A 24 3.768 -10.307 -6.158 1.00 36.51 O ATOM 380 OE2 GLU A 24 5.279 -9.346 -7.474 1.00 34.80 O ATOM 0 H GLU A 24 1.682 -7.583 -3.011 1.00 9.54 H new ATOM 0 HA GLU A 24 3.613 -5.917 -4.002 1.00 11.81 H new ATOM 0 HB2 GLU A 24 3.368 -8.439 -4.094 1.00 19.24 H new ATOM 0 HB3 GLU A 24 2.074 -8.248 -5.261 1.00 19.24 H new ATOM 0 HG2 GLU A 24 3.649 -7.322 -6.888 1.00 27.76 H new ATOM 0 HG3 GLU A 24 4.951 -7.443 -5.720 1.00 27.76 H new ATOM 387 N ASN A 25 0.954 -5.624 -5.841 1.00 9.43 N ATOM 388 CA ASN A 25 0.212 -4.726 -6.670 1.00 10.96 C ATOM 389 C ASN A 25 -0.028 -3.342 -6.171 1.00 9.68 C ATOM 390 O ASN A 25 -0.003 -2.400 -6.961 1.00 9.33 O ATOM 391 CB ASN A 25 -1.116 -5.355 -7.123 1.00 16.78 C ATOM 392 CG ASN A 25 -0.840 -6.504 -8.082 1.00 22.31 C ATOM 393 OD1 ASN A 25 0.162 -7.203 -7.942 1.00 25.66 O ATOM 394 ND2 ASN A 25 -1.728 -6.646 -9.101 1.00 24.70 N ATOM 0 H ASN A 25 0.405 -6.448 -5.597 1.00 9.43 H new ATOM 0 HA ASN A 25 0.895 -4.579 -7.507 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -1.672 -5.717 -6.258 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -1.738 -4.604 -7.610 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -1.582 -7.367 -9.808 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -2.540 -6.032 -9.159 1.00 24.70 H new ATOM 401 N VAL A 26 -0.175 -3.159 -4.847 1.00 6.52 N ATOM 402 CA VAL A 26 -0.200 -1.887 -4.193 1.00 5.53 C ATOM 403 C VAL A 26 1.128 -1.239 -4.381 1.00 4.42 C ATOM 404 O VAL A 26 1.180 -0.096 -4.833 1.00 3.40 O ATOM 405 CB VAL A 26 -0.513 -2.000 -2.730 1.00 3.86 C ATOM 406 CG1 VAL A 26 -0.503 -0.639 -2.013 1.00 7.25 C ATOM 407 CG2 VAL A 26 -1.883 -2.689 -2.623 1.00 8.12 C ATOM 0 H VAL A 26 -0.282 -3.939 -4.199 1.00 6.52 H new ATOM 0 HA VAL A 26 -0.994 -1.287 -4.637 1.00 5.53 H new ATOM 0 HB VAL A 26 0.259 -2.584 -2.229 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -0.736 -0.782 -0.958 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.483 -0.185 -2.109 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.249 0.015 -2.464 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -2.156 -2.795 -1.573 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -2.634 -2.087 -3.135 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -1.832 -3.675 -3.085 1.00 8.12 H new ATOM 417 N LYS A 27 2.239 -1.905 -4.018 1.00 2.64 N ATOM 418 CA LYS A 27 3.549 -1.362 -4.200 1.00 4.14 C ATOM 419 C LYS A 27 3.933 -0.971 -5.586 1.00 5.58 C ATOM 420 O LYS A 27 4.554 0.057 -5.852 1.00 4.11 O ATOM 421 CB LYS A 27 4.591 -2.404 -3.760 1.00 3.97 C ATOM 422 CG LYS A 27 4.559 -2.670 -2.253 1.00 7.45 C ATOM 423 CD LYS A 27 5.819 -3.457 -1.885 1.00 9.02 C ATOM 424 CE LYS A 27 6.119 -4.703 -2.720 1.00 12.90 C ATOM 425 NZ LYS A 27 7.246 -5.551 -2.271 1.00 15.47 N ATOM 0 H LYS A 27 2.228 -2.832 -3.593 1.00 2.64 H new ATOM 0 HA LYS A 27 3.527 -0.448 -3.606 1.00 4.14 H new ATOM 0 HB2 LYS A 27 4.413 -3.338 -4.294 1.00 3.97 H new ATOM 0 HB3 LYS A 27 5.586 -2.059 -4.043 1.00 3.97 H new ATOM 0 HG2 LYS A 27 4.521 -1.731 -1.701 1.00 7.45 H new ATOM 0 HG3 LYS A 27 3.666 -3.234 -1.984 1.00 7.45 H new ATOM 0 HD2 LYS A 27 6.674 -2.785 -1.958 1.00 9.02 H new ATOM 0 HD3 LYS A 27 5.739 -3.758 -0.841 1.00 9.02 H new ATOM 0 HE2 LYS A 27 5.220 -5.319 -2.747 1.00 12.90 H new ATOM 0 HE3 LYS A 27 6.319 -4.386 -3.744 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 7.580 -6.133 -3.065 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 8.022 -4.947 -1.934 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 6.928 -6.170 -1.498 1.00 15.47 H new ATOM 439 N ALA A 28 3.463 -1.780 -6.552 1.00 6.61 N ATOM 440 CA ALA A 28 3.610 -1.478 -7.942 1.00 7.74 C ATOM 441 C ALA A 28 3.007 -0.225 -8.478 1.00 9.17 C ATOM 442 O ALA A 28 3.364 0.350 -9.505 1.00 11.45 O ATOM 443 CB ALA A 28 3.025 -2.556 -8.869 1.00 7.68 C ATOM 0 H ALA A 28 2.974 -2.656 -6.366 1.00 6.61 H new ATOM 0 HA ALA A 28 4.696 -1.390 -7.953 1.00 7.74 H new ATOM 0 HB1 ALA A 28 3.172 -2.261 -9.908 1.00 7.68 H new ATOM 0 HB2 ALA A 28 3.529 -3.505 -8.687 1.00 7.68 H new ATOM 0 HB3 ALA A 28 1.959 -2.667 -8.671 1.00 7.68 H new ATOM 449 N LYS A 29 1.973 0.264 -7.770 1.00 8.96 N ATOM 450 CA LYS A 29 1.336 1.518 -8.027 1.00 7.90 C ATOM 451 C LYS A 29 2.193 2.689 -7.689 1.00 6.92 C ATOM 452 O LYS A 29 2.522 3.464 -8.586 1.00 6.87 O ATOM 453 CB LYS A 29 0.020 1.744 -7.265 1.00 10.28 C ATOM 454 CG LYS A 29 -1.098 0.781 -7.671 1.00 14.94 C ATOM 455 CD LYS A 29 -1.789 0.912 -9.030 1.00 19.69 C ATOM 456 CE LYS A 29 -2.954 -0.056 -9.248 1.00 22.63 C ATOM 457 NZ LYS A 29 -2.601 -1.482 -9.066 1.00 24.98 N ATOM 0 H LYS A 29 1.563 -0.238 -6.983 1.00 8.96 H new ATOM 0 HA LYS A 29 1.141 1.452 -9.097 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.207 1.640 -6.196 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.315 2.768 -7.432 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.688 -0.227 -7.616 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -1.874 0.852 -6.909 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -2.156 1.932 -9.139 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -1.050 0.753 -9.815 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -3.757 0.199 -8.557 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -3.344 0.084 -10.256 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -3.438 -2.073 -9.247 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -1.844 -1.740 -9.731 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -2.273 -1.637 -8.091 1.00 24.98 H new ATOM 471 N ILE A 30 2.665 2.797 -6.434 1.00 4.57 N ATOM 472 CA ILE A 30 3.658 3.709 -5.959 1.00 5.58 C ATOM 473 C ILE A 30 4.876 3.648 -6.816 1.00 7.26 C ATOM 474 O ILE A 30 5.403 4.708 -7.146 1.00 9.46 O ATOM 475 CB ILE A 30 4.009 3.565 -4.508 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.798 3.986 -3.659 1.00 2.94 C ATOM 477 CG2 ILE A 30 5.119 4.526 -4.050 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.884 3.712 -2.158 1.00 2.00 C ATOM 0 H ILE A 30 2.320 2.192 -5.688 1.00 4.57 H new ATOM 0 HA ILE A 30 3.204 4.697 -6.036 1.00 5.58 H new ATOM 0 HB ILE A 30 4.322 2.528 -4.385 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.638 5.055 -3.801 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.916 3.477 -4.048 1.00 2.94 H new ATOM 0 HG21 ILE A 30 5.323 4.368 -2.991 1.00 2.78 H new ATOM 0 HG22 ILE A 30 6.025 4.337 -4.626 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.797 5.555 -4.208 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.970 4.054 -1.673 1.00 2.00 H new ATOM 0 HD12 ILE A 30 3.005 2.642 -1.990 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.738 4.244 -1.739 1.00 2.00 H new ATOM 490 N GLN A 31 5.406 2.461 -7.163 1.00 7.06 N ATOM 491 CA GLN A 31 6.464 2.258 -8.104 1.00 8.67 C ATOM 492 C GLN A 31 6.316 2.933 -9.424 1.00 10.90 C ATOM 493 O GLN A 31 7.321 3.481 -9.875 1.00 9.63 O ATOM 494 CB GLN A 31 6.643 0.776 -8.474 1.00 9.12 C ATOM 495 CG GLN A 31 7.683 0.401 -9.531 1.00 10.76 C ATOM 496 CD GLN A 31 7.735 -1.118 -9.611 1.00 13.78 C ATOM 497 OE1 GLN A 31 7.001 -1.813 -8.909 1.00 14.48 O ATOM 498 NE2 GLN A 31 8.666 -1.670 -10.434 1.00 14.76 N ATOM 0 H GLN A 31 5.073 1.586 -6.759 1.00 7.06 H new ATOM 0 HA GLN A 31 7.305 2.687 -7.559 1.00 8.67 H new ATOM 0 HB2 GLN A 31 6.891 0.235 -7.561 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.677 0.402 -8.814 1.00 9.12 H new ATOM 0 HG2 GLN A 31 7.415 0.826 -10.498 1.00 10.76 H new ATOM 0 HG3 GLN A 31 8.660 0.804 -9.265 1.00 10.76 H new ATOM 0 HE21 GLN A 31 9.261 -1.070 -11.005 1.00 14.76 H new ATOM 0 HE22 GLN A 31 8.769 -2.684 -10.480 1.00 14.76 H new ATOM 507 N ASP A 32 5.109 2.925 -10.016 1.00 10.93 N ATOM 508 CA ASP A 32 4.755 3.489 -11.282 1.00 14.01 C ATOM 509 C ASP A 32 4.543 4.945 -11.048 1.00 14.04 C ATOM 510 O ASP A 32 5.252 5.868 -11.446 1.00 13.39 O ATOM 511 CB ASP A 32 3.572 2.668 -11.821 1.00 18.01 C ATOM 512 CG ASP A 32 2.964 3.243 -13.092 1.00 24.33 C ATOM 513 OD1 ASP A 32 3.684 3.421 -14.110 1.00 26.29 O ATOM 514 OD2 ASP A 32 1.796 3.707 -12.998 1.00 25.17 O ATOM 0 H ASP A 32 4.308 2.482 -9.565 1.00 10.93 H new ATOM 0 HA ASP A 32 5.509 3.433 -12.067 1.00 14.01 H new ATOM 0 HB2 ASP A 32 3.906 1.649 -12.016 1.00 18.01 H new ATOM 0 HB3 ASP A 32 2.801 2.609 -11.053 1.00 18.01 H new ATOM 519 N LYS A 33 3.389 5.334 -10.476 1.00 14.22 N ATOM 520 CA LYS A 33 2.867 6.665 -10.497 1.00 14.00 C ATOM 521 C LYS A 33 3.710 7.662 -9.778 1.00 12.37 C ATOM 522 O LYS A 33 3.906 8.778 -10.257 1.00 12.17 O ATOM 523 CB LYS A 33 1.470 6.583 -9.860 1.00 18.62 C ATOM 524 CG LYS A 33 0.662 7.859 -9.617 1.00 24.00 C ATOM 525 CD LYS A 33 0.242 8.457 -10.962 1.00 27.61 C ATOM 526 CE LYS A 33 -0.919 9.450 -10.900 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.169 8.771 -10.491 1.00 30.06 N ATOM 0 H LYS A 33 2.788 4.683 -9.971 1.00 14.22 H new ATOM 0 HA LYS A 33 2.842 7.021 -11.527 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.865 5.932 -10.490 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.582 6.082 -8.898 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -0.219 7.636 -9.014 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.258 8.579 -9.056 1.00 24.00 H new ATOM 0 HD2 LYS A 33 1.104 8.957 -11.404 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.033 7.643 -11.633 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.685 10.247 -10.194 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.056 9.918 -11.875 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -2.980 9.393 -10.681 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.277 7.888 -11.029 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.130 8.554 -9.475 1.00 30.06 H new ATOM 541 N GLU A 34 4.285 7.393 -8.593 1.00 10.11 N ATOM 542 CA GLU A 34 5.130 8.230 -7.799 1.00 10.07 C ATOM 543 C GLU A 34 6.593 8.037 -8.005 1.00 9.32 C ATOM 544 O GLU A 34 7.348 9.006 -8.070 1.00 11.61 O ATOM 545 CB GLU A 34 4.798 8.115 -6.301 1.00 14.77 C ATOM 546 CG GLU A 34 3.395 8.636 -5.986 1.00 18.75 C ATOM 547 CD GLU A 34 3.202 10.128 -6.215 1.00 22.28 C ATOM 548 OE1 GLU A 34 4.212 10.832 -6.485 1.00 25.19 O ATOM 549 OE2 GLU A 34 2.030 10.591 -6.181 1.00 21.95 O ATOM 0 H GLU A 34 4.140 6.489 -8.144 1.00 10.11 H new ATOM 0 HA GLU A 34 4.907 9.236 -8.156 1.00 10.07 H new ATOM 0 HB2 GLU A 34 4.876 7.073 -5.991 1.00 14.77 H new ATOM 0 HB3 GLU A 34 5.532 8.676 -5.722 1.00 14.77 H new ATOM 0 HG2 GLU A 34 2.675 8.093 -6.598 1.00 18.75 H new ATOM 0 HG3 GLU A 34 3.164 8.410 -4.945 1.00 18.75 H new ATOM 556 N GLY A 35 7.110 6.799 -8.105 1.00 7.22 N ATOM 557 CA GLY A 35 8.473 6.457 -8.369 1.00 6.29 C ATOM 558 C GLY A 35 9.292 6.166 -7.158 1.00 6.93 C ATOM 559 O GLY A 35 10.463 6.534 -7.081 1.00 7.41 O ATOM 0 H GLY A 35 6.525 5.971 -7.992 1.00 7.22 H new ATOM 0 HA2 GLY A 35 8.494 5.585 -9.022 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.939 7.276 -8.917 1.00 6.29 H new ATOM 563 N ILE A 36 8.743 5.436 -6.171 1.00 5.86 N ATOM 564 CA ILE A 36 9.552 4.921 -5.110 1.00 6.07 C ATOM 565 C ILE A 36 9.583 3.453 -5.362 1.00 6.36 C ATOM 566 O ILE A 36 8.540 2.801 -5.340 1.00 6.18 O ATOM 567 CB ILE A 36 9.032 5.181 -3.728 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.037 6.700 -3.487 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.815 4.450 -2.623 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.090 7.225 -2.409 1.00 9.49 C ATOM 0 H ILE A 36 7.752 5.204 -6.107 1.00 5.86 H new ATOM 0 HA ILE A 36 10.524 5.414 -5.122 1.00 6.07 H new ATOM 0 HB ILE A 36 8.020 4.781 -3.673 1.00 7.47 H new ATOM 0 HG12 ILE A 36 10.052 7.000 -3.225 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.791 7.195 -4.427 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.381 4.687 -1.652 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.763 3.374 -2.791 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.857 4.770 -2.642 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.187 8.308 -2.335 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.063 6.970 -2.671 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.343 6.772 -1.450 1.00 9.49 H new ATOM 582 N PRO A 37 10.641 2.781 -5.705 1.00 8.65 N ATOM 583 CA PRO A 37 10.687 1.397 -6.077 1.00 9.18 C ATOM 584 C PRO A 37 10.155 0.493 -5.019 1.00 9.85 C ATOM 585 O PRO A 37 10.238 0.915 -3.867 1.00 8.51 O ATOM 586 CB PRO A 37 12.194 1.201 -6.221 1.00 11.42 C ATOM 587 CG PRO A 37 12.682 2.511 -6.860 1.00 9.27 C ATOM 588 CD PRO A 37 11.818 3.535 -6.109 1.00 8.33 C ATOM 0 HA PRO A 37 10.086 1.166 -6.956 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.668 1.028 -5.255 1.00 11.42 H new ATOM 0 HB3 PRO A 37 12.426 0.340 -6.849 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.748 2.675 -6.703 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.510 2.535 -7.936 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.344 3.944 -5.247 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.552 4.377 -6.748 1.00 8.33 H new ATOM 596 N PRO A 38 9.747 -0.710 -5.297 1.00 8.71 N ATOM 597 CA PRO A 38 9.037 -1.564 -4.389 1.00 9.08 C ATOM 598 C PRO A 38 9.956 -2.348 -3.518 1.00 9.28 C ATOM 599 O PRO A 38 9.410 -3.082 -2.695 1.00 6.50 O ATOM 600 CB PRO A 38 8.184 -2.534 -5.203 1.00 10.31 C ATOM 601 CG PRO A 38 9.067 -2.702 -6.450 1.00 10.81 C ATOM 602 CD PRO A 38 9.728 -1.324 -6.616 1.00 12.00 C ATOM 0 HA PRO A 38 8.423 -0.935 -3.744 1.00 9.08 H new ATOM 0 HB2 PRO A 38 8.017 -3.477 -4.683 1.00 10.31 H new ATOM 0 HB3 PRO A 38 7.203 -2.124 -5.442 1.00 10.31 H new ATOM 0 HG2 PRO A 38 9.809 -3.488 -6.312 1.00 10.81 H new ATOM 0 HG3 PRO A 38 8.476 -2.971 -7.326 1.00 10.81 H new ATOM 0 HD2 PRO A 38 10.739 -1.424 -7.011 1.00 12.00 H new ATOM 0 HD3 PRO A 38 9.170 -0.709 -7.322 1.00 12.00 H new ATOM 610 N ASP A 39 11.276 -2.178 -3.712 1.00 11.20 N ATOM 611 CA ASP A 39 12.175 -2.732 -2.747 1.00 14.96 C ATOM 612 C ASP A 39 12.427 -1.788 -1.621 1.00 13.99 C ATOM 613 O ASP A 39 12.659 -2.208 -0.489 1.00 13.75 O ATOM 614 CB ASP A 39 13.487 -3.279 -3.333 1.00 24.16 C ATOM 615 CG ASP A 39 14.315 -2.230 -4.062 1.00 31.06 C ATOM 616 OD1 ASP A 39 13.801 -1.464 -4.921 1.00 35.55 O ATOM 617 OD2 ASP A 39 15.529 -2.083 -3.759 1.00 34.22 O ATOM 0 H ASP A 39 11.705 -1.684 -4.494 1.00 11.20 H new ATOM 0 HA ASP A 39 11.657 -3.606 -2.352 1.00 14.96 H new ATOM 0 HB2 ASP A 39 14.085 -3.706 -2.527 1.00 24.16 H new ATOM 0 HB3 ASP A 39 13.256 -4.091 -4.023 1.00 24.16 H new ATOM 622 N GLN A 40 12.299 -0.475 -1.882 1.00 11.60 N ATOM 623 CA GLN A 40 12.407 0.545 -0.885 1.00 10.76 C ATOM 624 C GLN A 40 11.323 0.556 0.136 1.00 8.01 C ATOM 625 O GLN A 40 11.528 1.011 1.261 1.00 8.96 O ATOM 626 CB GLN A 40 12.513 1.925 -1.555 1.00 11.14 C ATOM 627 CG GLN A 40 13.743 2.058 -2.456 1.00 14.85 C ATOM 628 CD GLN A 40 14.022 3.544 -2.633 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.672 4.423 -1.848 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.838 3.896 -3.662 1.00 18.16 N ATOM 0 H GLN A 40 12.114 -0.111 -2.817 1.00 11.60 H new ATOM 0 HA GLN A 40 13.316 0.308 -0.332 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.615 2.106 -2.146 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.548 2.695 -0.785 1.00 11.14 H new ATOM 0 HG2 GLN A 40 14.602 1.557 -2.009 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.564 1.584 -3.421 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.147 3.191 -4.332 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.141 4.865 -3.764 1.00 18.16 H new ATOM 639 N GLN A 41 10.104 0.138 -0.250 1.00 6.52 N ATOM 640 CA GLN A 41 8.908 0.188 0.531 1.00 3.87 C ATOM 641 C GLN A 41 8.693 -0.934 1.488 1.00 4.79 C ATOM 642 O GLN A 41 8.792 -2.113 1.154 1.00 6.34 O ATOM 643 CB GLN A 41 7.663 0.219 -0.372 1.00 4.20 C ATOM 644 CG GLN A 41 7.635 1.349 -1.404 1.00 3.20 C ATOM 645 CD GLN A 41 6.474 1.252 -2.383 1.00 4.89 C ATOM 646 OE1 GLN A 41 5.322 1.047 -2.004 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.834 1.353 -3.690 1.00 7.13 N ATOM 0 H GLN A 41 9.945 -0.263 -1.174 1.00 6.52 H new ATOM 0 HA GLN A 41 9.047 1.099 1.114 1.00 3.87 H new ATOM 0 HB2 GLN A 41 7.591 -0.733 -0.897 1.00 4.20 H new ATOM 0 HB3 GLN A 41 6.778 0.303 0.259 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.581 2.305 -0.883 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.571 1.343 -1.962 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.808 1.524 -3.939 1.00 7.13 H new ATOM 0 HE22 GLN A 41 6.130 1.258 -4.422 1.00 7.13 H new ATOM 656 N ARG A 42 8.260 -0.608 2.719 1.00 5.73 N ATOM 657 CA ARG A 42 7.290 -1.498 3.279 1.00 6.97 C ATOM 658 C ARG A 42 6.145 -0.724 3.837 1.00 7.15 C ATOM 659 O ARG A 42 6.257 0.434 4.238 1.00 7.33 O ATOM 660 CB ARG A 42 7.887 -2.470 4.310 1.00 13.23 C ATOM 661 CG ARG A 42 6.967 -3.500 4.970 1.00 21.27 C ATOM 662 CD ARG A 42 7.849 -4.679 5.386 1.00 26.14 C ATOM 663 NE ARG A 42 6.971 -5.870 5.561 1.00 32.26 N ATOM 664 CZ ARG A 42 7.384 -6.946 6.292 1.00 34.32 C ATOM 665 NH1 ARG A 42 8.501 -6.868 7.072 1.00 35.30 N ATOM 666 NH2 ARG A 42 6.527 -7.993 6.475 1.00 36.39 N ATOM 0 H ARG A 42 8.546 0.192 3.283 1.00 5.73 H new ATOM 0 HA ARG A 42 6.921 -2.128 2.470 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.695 -3.014 3.821 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.338 -1.874 5.103 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.463 -3.070 5.836 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.190 -3.824 4.278 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.608 -4.873 4.628 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.375 -4.453 6.314 1.00 26.14 H new ATOM 0 HE ARG A 42 6.048 -5.881 5.128 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.035 -6.000 7.112 1.00 35.30 H new ATOM 0 HH12 ARG A 42 8.802 -7.678 7.615 1.00 35.30 H new ATOM 0 HH21 ARG A 42 5.592 -7.964 6.068 1.00 36.39 H new ATOM 0 HH22 ARG A 42 6.822 -8.804 7.019 1.00 36.39 H new ATOM 680 N LEU A 43 4.963 -1.339 3.656 1.00 4.65 N ATOM 681 CA LEU A 43 3.688 -0.828 4.055 1.00 3.51 C ATOM 682 C LEU A 43 3.286 -1.330 5.399 1.00 5.56 C ATOM 683 O LEU A 43 3.422 -2.530 5.633 1.00 4.19 O ATOM 684 CB LEU A 43 2.628 -1.157 2.991 1.00 3.74 C ATOM 685 CG LEU A 43 2.742 -0.418 1.647 1.00 6.32 C ATOM 686 CD1 LEU A 43 2.042 -1.334 0.628 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.142 0.997 1.599 1.00 9.55 C ATOM 0 H LEU A 43 4.894 -2.250 3.203 1.00 4.65 H new ATOM 0 HA LEU A 43 3.769 0.256 4.137 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.666 -2.228 2.794 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.646 -0.945 3.413 1.00 3.74 H new ATOM 0 HG LEU A 43 3.797 -0.239 1.440 1.00 6.32 H new ATOM 0 HD11 LEU A 43 2.081 -0.875 -0.360 1.00 6.41 H new ATOM 0 HD12 LEU A 43 2.547 -2.300 0.600 1.00 6.41 H new ATOM 0 HD13 LEU A 43 1.002 -1.477 0.921 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.282 1.418 0.603 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.077 0.949 1.826 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.641 1.629 2.333 1.00 9.55 H new ATOM 699 N ILE A 44 2.899 -0.463 6.352 1.00 4.58 N ATOM 700 CA ILE A 44 2.587 -0.955 7.658 1.00 5.55 C ATOM 701 C ILE A 44 1.128 -0.744 7.876 1.00 5.46 C ATOM 702 O ILE A 44 0.655 0.353 7.583 1.00 6.04 O ATOM 703 CB ILE A 44 3.220 -0.170 8.768 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.743 -0.168 8.552 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.783 -0.607 10.177 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.450 -1.521 8.635 1.00 13.90 C ATOM 0 H ILE A 44 2.804 0.545 6.227 1.00 4.58 H new ATOM 0 HA ILE A 44 2.934 -1.988 7.685 1.00 5.55 H new ATOM 0 HB ILE A 44 2.858 0.857 8.723 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.947 0.263 7.572 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.191 0.496 9.292 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.286 0.010 10.922 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.704 -0.489 10.276 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.049 -1.653 10.333 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.518 -1.384 8.465 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.292 -1.954 9.623 1.00 13.90 H new ATOM 0 HD13 ILE A 44 5.045 -2.190 7.876 1.00 13.90 H new ATOM 718 N PHE A 45 0.439 -1.732 8.476 1.00 6.75 N ATOM 719 CA PHE A 45 -0.915 -1.502 8.875 1.00 4.70 C ATOM 720 C PHE A 45 -1.021 -1.564 10.360 1.00 6.34 C ATOM 721 O PHE A 45 -1.047 -2.597 11.028 1.00 5.45 O ATOM 722 CB PHE A 45 -1.899 -2.559 8.348 1.00 5.51 C ATOM 723 CG PHE A 45 -3.349 -2.514 8.690 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.023 -1.325 8.834 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.017 -3.705 8.850 1.00 5.87 C ATOM 726 CE1 PHE A 45 -5.395 -1.315 8.926 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.389 -3.684 8.942 1.00 6.64 C ATOM 728 CZ PHE A 45 -6.091 -2.501 8.951 1.00 6.84 C ATOM 0 H PHE A 45 0.805 -2.662 8.680 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.173 -0.526 8.464 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.830 -2.542 7.260 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.526 -3.530 8.676 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.474 -0.396 8.875 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.475 -4.638 8.902 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -5.926 -0.376 8.979 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -5.928 -4.618 9.009 1.00 6.64 H new ATOM 0 HZ PHE A 45 -7.171 -2.503 8.977 1.00 6.84 H new ATOM 738 N ALA A 46 -1.075 -0.405 11.040 1.00 6.53 N ATOM 739 CA ALA A 46 -1.319 -0.264 12.442 1.00 7.15 C ATOM 740 C ALA A 46 -0.064 -0.477 13.218 1.00 9.00 C ATOM 741 O ALA A 46 0.652 0.453 13.585 1.00 11.15 O ATOM 742 CB ALA A 46 -2.630 -0.816 13.026 1.00 8.99 C ATOM 0 H ALA A 46 -0.939 0.494 10.578 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.597 0.781 12.581 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -2.658 -0.628 14.099 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.477 -0.323 12.549 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.686 -1.889 12.844 1.00 8.99 H new ATOM 748 N GLY A 47 0.124 -1.758 13.583 1.00 9.35 N ATOM 749 CA GLY A 47 1.435 -2.213 13.926 1.00 11.68 C ATOM 750 C GLY A 47 1.833 -3.440 13.179 1.00 11.14 C ATOM 751 O GLY A 47 2.917 -3.973 13.412 1.00 13.93 O ATOM 0 H GLY A 47 -0.611 -2.463 13.640 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.155 -1.420 13.723 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.476 -2.415 14.996 1.00 11.68 H new ATOM 755 N LYS A 48 1.025 -3.966 12.241 1.00 10.47 N ATOM 756 CA LYS A 48 1.343 -5.124 11.464 1.00 8.82 C ATOM 757 C LYS A 48 2.077 -4.804 10.207 1.00 7.68 C ATOM 758 O LYS A 48 1.609 -4.062 9.345 1.00 6.47 O ATOM 759 CB LYS A 48 0.113 -5.944 11.041 1.00 9.74 C ATOM 760 CG LYS A 48 -0.514 -6.755 12.177 1.00 14.14 C ATOM 761 CD LYS A 48 -1.848 -7.405 11.803 1.00 16.32 C ATOM 762 CE LYS A 48 -2.646 -7.861 13.026 1.00 20.04 C ATOM 763 NZ LYS A 48 -2.058 -9.017 13.738 1.00 23.92 N ATOM 0 H LYS A 48 0.113 -3.568 12.015 1.00 10.47 H new ATOM 0 HA LYS A 48 1.968 -5.704 12.143 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -0.639 -5.268 10.633 1.00 9.74 H new ATOM 0 HB3 LYS A 48 0.400 -6.624 10.239 1.00 9.74 H new ATOM 0 HG2 LYS A 48 0.185 -7.532 12.486 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -0.666 -6.103 13.037 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -2.445 -6.696 11.229 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -1.661 -8.262 11.156 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -2.732 -7.026 13.721 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -3.657 -8.119 12.711 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -2.656 -9.264 14.552 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -2.000 -9.830 13.092 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -1.104 -8.771 14.071 1.00 23.92 H new ATOM 777 N GLN A 49 3.257 -5.409 9.983 1.00 8.89 N ATOM 778 CA GLN A 49 4.041 -5.178 8.810 1.00 7.18 C ATOM 779 C GLN A 49 3.667 -6.136 7.732 1.00 8.23 C ATOM 780 O GLN A 49 3.644 -7.325 8.048 1.00 9.70 O ATOM 781 CB GLN A 49 5.535 -5.185 9.177 1.00 11.67 C ATOM 782 CG GLN A 49 5.884 -4.603 10.548 1.00 15.82 C ATOM 783 CD GLN A 49 7.321 -4.180 10.820 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.541 -3.032 11.202 1.00 23.23 O ATOM 785 NE2 GLN A 49 8.366 -5.034 10.653 1.00 20.67 N ATOM 0 H GLN A 49 3.676 -6.074 10.633 1.00 8.89 H new ATOM 0 HA GLN A 49 3.831 -4.190 8.400 1.00 7.18 H new ATOM 0 HB2 GLN A 49 5.895 -6.213 9.137 1.00 11.67 H new ATOM 0 HB3 GLN A 49 6.080 -4.626 8.416 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.248 -3.733 10.709 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.609 -5.342 11.300 1.00 15.82 H new ATOM 0 HE21 GLN A 49 8.199 -5.989 10.337 1.00 20.67 H new ATOM 0 HE22 GLN A 49 9.317 -4.719 10.844 1.00 20.67 H new ATOM 794 N LEU A 50 3.183 -5.633 6.583 1.00 6.51 N ATOM 795 CA LEU A 50 2.502 -6.422 5.603 1.00 7.41 C ATOM 796 C LEU A 50 3.478 -7.258 4.850 1.00 8.27 C ATOM 797 O LEU A 50 4.669 -6.991 4.698 1.00 8.34 O ATOM 798 CB LEU A 50 1.794 -5.475 4.619 1.00 7.13 C ATOM 799 CG LEU A 50 0.750 -4.587 5.316 1.00 7.53 C ATOM 800 CD1 LEU A 50 0.102 -3.666 4.268 1.00 9.11 C ATOM 801 CD2 LEU A 50 -0.422 -5.381 5.918 1.00 8.14 C ATOM 0 H LEU A 50 3.267 -4.649 6.328 1.00 6.51 H new ATOM 0 HA LEU A 50 1.781 -7.073 6.097 1.00 7.41 H new ATOM 0 HB2 LEU A 50 2.535 -4.844 4.128 1.00 7.13 H new ATOM 0 HB3 LEU A 50 1.307 -6.061 3.840 1.00 7.13 H new ATOM 0 HG LEU A 50 1.286 -4.061 6.106 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -0.641 -3.031 4.751 1.00 9.11 H new ATOM 0 HD12 LEU A 50 0.869 -3.042 3.808 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -0.382 -4.271 3.501 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.121 -4.693 6.394 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -0.934 -5.929 5.127 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.042 -6.084 6.660 1.00 8.14 H new ATOM 813 N GLU A 51 2.923 -8.321 4.239 1.00 9.43 N ATOM 814 CA GLU A 51 3.656 -9.211 3.393 1.00 11.90 C ATOM 815 C GLU A 51 3.121 -9.306 2.006 1.00 11.49 C ATOM 816 O GLU A 51 1.911 -9.273 1.789 1.00 9.88 O ATOM 817 CB GLU A 51 3.878 -10.579 4.059 1.00 16.56 C ATOM 818 CG GLU A 51 4.688 -10.661 5.354 1.00 26.06 C ATOM 819 CD GLU A 51 4.693 -12.070 5.930 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.187 -13.011 5.263 1.00 33.44 O ATOM 821 OE2 GLU A 51 5.215 -12.211 7.068 1.00 32.13 O ATOM 0 H GLU A 51 1.938 -8.568 4.336 1.00 9.43 H new ATOM 0 HA GLU A 51 4.641 -8.762 3.266 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.896 -11.008 4.259 1.00 16.56 H new ATOM 0 HB3 GLU A 51 4.365 -11.224 3.327 1.00 16.56 H new ATOM 0 HG2 GLU A 51 5.713 -10.343 5.162 1.00 26.06 H new ATOM 0 HG3 GLU A 51 4.272 -9.970 6.087 1.00 26.06 H new ATOM 828 N ASP A 52 4.029 -9.408 1.018 1.00 12.71 N ATOM 829 CA ASP A 52 3.753 -9.157 -0.362 1.00 16.56 C ATOM 830 C ASP A 52 2.751 -9.944 -1.135 1.00 15.83 C ATOM 831 O ASP A 52 1.939 -9.304 -1.801 1.00 17.21 O ATOM 832 CB ASP A 52 5.075 -9.068 -1.142 1.00 21.05 C ATOM 833 CG ASP A 52 6.158 -8.344 -0.355 1.00 25.12 C ATOM 834 OD1 ASP A 52 6.875 -8.988 0.458 1.00 25.82 O ATOM 835 OD2 ASP A 52 6.252 -7.096 -0.494 1.00 28.37 O ATOM 0 H ASP A 52 4.998 -9.677 1.189 1.00 12.71 H new ATOM 0 HA ASP A 52 3.201 -8.221 -0.274 1.00 16.56 H new ATOM 0 HB2 ASP A 52 5.418 -10.073 -1.389 1.00 21.05 H new ATOM 0 HB3 ASP A 52 4.904 -8.549 -2.085 1.00 21.05 H new ATOM 840 N GLY A 53 2.773 -11.281 -0.993 1.00 15.00 N ATOM 841 CA GLY A 53 1.774 -12.135 -1.557 1.00 11.77 C ATOM 842 C GLY A 53 0.350 -12.168 -1.121 1.00 11.10 C ATOM 843 O GLY A 53 -0.419 -12.833 -1.814 1.00 11.25 O ATOM 0 H GLY A 53 3.498 -11.779 -0.477 1.00 15.00 H new ATOM 0 HA2 GLY A 53 1.758 -11.917 -2.625 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.148 -13.153 -1.445 1.00 11.77 H new ATOM 847 N ARG A 54 -0.014 -11.416 -0.067 1.00 8.53 N ATOM 848 CA ARG A 54 -1.345 -11.443 0.455 1.00 9.05 C ATOM 849 C ARG A 54 -2.133 -10.271 -0.020 1.00 8.96 C ATOM 850 O ARG A 54 -1.663 -9.332 -0.660 1.00 11.60 O ATOM 851 CB ARG A 54 -1.299 -11.572 1.987 1.00 7.97 C ATOM 852 CG ARG A 54 -0.530 -12.754 2.580 1.00 9.62 C ATOM 853 CD ARG A 54 -0.907 -12.988 4.044 1.00 12.20 C ATOM 854 NE ARG A 54 0.370 -13.508 4.609 1.00 18.23 N ATOM 855 CZ ARG A 54 0.645 -13.479 5.946 1.00 22.08 C ATOM 856 NH1 ARG A 54 -0.395 -13.373 6.823 1.00 23.38 N ATOM 857 NH2 ARG A 54 1.939 -13.502 6.380 1.00 25.50 N ATOM 0 H ARG A 54 0.618 -10.785 0.426 1.00 8.53 H new ATOM 0 HA ARG A 54 -1.870 -12.320 0.076 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -0.866 -10.656 2.388 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -2.326 -11.624 2.350 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -0.739 -13.653 2.001 1.00 9.62 H new ATOM 0 HG3 ARG A 54 0.541 -12.568 2.504 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -1.227 -12.069 4.535 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -1.721 -13.705 4.147 1.00 12.20 H new ATOM 0 HE ARG A 54 1.065 -13.900 3.973 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -1.352 -13.317 6.475 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -0.215 -13.349 7.827 1.00 23.38 H new ATOM 0 HH21 ARG A 54 2.703 -13.541 5.705 1.00 25.50 H new ATOM 0 HH22 ARG A 54 2.142 -13.480 7.379 1.00 25.50 H new ATOM 871 N THR A 55 -3.449 -10.264 0.258 1.00 9.05 N ATOM 872 CA THR A 55 -4.410 -9.261 -0.083 1.00 9.03 C ATOM 873 C THR A 55 -4.644 -8.252 0.987 1.00 8.15 C ATOM 874 O THR A 55 -4.490 -8.537 2.174 1.00 5.91 O ATOM 875 CB THR A 55 -5.716 -9.733 -0.650 1.00 11.15 C ATOM 876 OG1 THR A 55 -6.493 -10.394 0.339 1.00 11.95 O ATOM 877 CG2 THR A 55 -5.384 -10.719 -1.782 1.00 11.71 C ATOM 0 H THR A 55 -3.879 -11.034 0.770 1.00 9.05 H new ATOM 0 HA THR A 55 -3.899 -8.775 -0.914 1.00 9.03 H new ATOM 0 HB THR A 55 -6.295 -8.884 -1.012 1.00 11.15 H new ATOM 0 HG1 THR A 55 -6.124 -11.287 0.502 1.00 11.95 H new ATOM 0 HG21 THR A 55 -6.309 -11.089 -2.225 1.00 11.71 H new ATOM 0 HG22 THR A 55 -4.794 -10.212 -2.545 1.00 11.71 H new ATOM 0 HG23 THR A 55 -4.814 -11.556 -1.380 1.00 11.71 H new ATOM 885 N LEU A 56 -5.140 -7.061 0.606 1.00 6.91 N ATOM 886 CA LEU A 56 -5.739 -6.136 1.518 1.00 8.29 C ATOM 887 C LEU A 56 -6.803 -6.652 2.424 1.00 8.05 C ATOM 888 O LEU A 56 -6.732 -6.373 3.620 1.00 10.17 O ATOM 889 CB LEU A 56 -6.218 -4.950 0.664 1.00 6.60 C ATOM 890 CG LEU A 56 -5.065 -4.194 -0.019 1.00 7.73 C ATOM 891 CD1 LEU A 56 -5.686 -3.702 -1.338 1.00 8.64 C ATOM 892 CD2 LEU A 56 -4.348 -3.089 0.774 1.00 9.85 C ATOM 0 H LEU A 56 -5.124 -6.733 -0.360 1.00 6.91 H new ATOM 0 HA LEU A 56 -4.980 -5.858 2.249 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -6.908 -5.314 -0.098 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -6.776 -4.258 1.295 1.00 6.60 H new ATOM 0 HG LEU A 56 -4.218 -4.869 -0.145 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -4.940 -3.146 -1.906 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -6.023 -4.558 -1.923 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -6.535 -3.053 -1.121 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -3.562 -2.651 0.159 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -5.065 -2.316 1.050 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -3.908 -3.515 1.676 1.00 9.85 H new ATOM 904 N SER A 57 -7.792 -7.418 1.930 1.00 8.92 N ATOM 905 CA SER A 57 -8.772 -8.180 2.639 1.00 9.00 C ATOM 906 C SER A 57 -8.353 -9.212 3.628 1.00 9.44 C ATOM 907 O SER A 57 -8.908 -9.404 4.709 1.00 10.91 O ATOM 908 CB SER A 57 -9.778 -8.842 1.683 1.00 10.32 C ATOM 909 OG SER A 57 -11.037 -9.054 2.303 1.00 13.59 O ATOM 0 H SER A 57 -7.915 -7.511 0.922 1.00 8.92 H new ATOM 0 HA SER A 57 -9.194 -7.383 3.251 1.00 9.00 H new ATOM 0 HB2 SER A 57 -9.909 -8.214 0.802 1.00 10.32 H new ATOM 0 HB3 SER A 57 -9.378 -9.796 1.338 1.00 10.32 H new ATOM 0 HG SER A 57 -11.650 -9.475 1.664 1.00 13.59 H new ATOM 915 N ASP A 58 -7.214 -9.880 3.371 1.00 9.11 N ATOM 916 CA ASP A 58 -6.604 -10.788 4.291 1.00 7.91 C ATOM 917 C ASP A 58 -6.247 -10.166 5.597 1.00 9.12 C ATOM 918 O ASP A 58 -6.342 -10.772 6.663 1.00 8.61 O ATOM 919 CB ASP A 58 -5.282 -11.408 3.808 1.00 8.41 C ATOM 920 CG ASP A 58 -5.586 -12.432 2.723 1.00 11.50 C ATOM 921 OD1 ASP A 58 -6.354 -13.381 3.037 1.00 11.70 O ATOM 922 OD2 ASP A 58 -5.108 -12.264 1.570 1.00 10.05 O ATOM 0 H ASP A 58 -6.701 -9.785 2.494 1.00 9.11 H new ATOM 0 HA ASP A 58 -7.385 -11.543 4.385 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -4.621 -10.633 3.420 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -4.762 -11.883 4.640 1.00 8.41 H new ATOM 927 N TYR A 59 -5.775 -8.909 5.675 1.00 7.97 N ATOM 928 CA TYR A 59 -5.454 -8.202 6.876 1.00 8.45 C ATOM 929 C TYR A 59 -6.656 -7.485 7.385 1.00 10.98 C ATOM 930 O TYR A 59 -6.683 -6.947 8.491 1.00 12.95 O ATOM 931 CB TYR A 59 -4.467 -7.082 6.506 1.00 7.94 C ATOM 932 CG TYR A 59 -3.157 -7.728 6.208 1.00 6.91 C ATOM 933 CD1 TYR A 59 -2.467 -8.353 7.220 1.00 6.98 C ATOM 934 CD2 TYR A 59 -2.672 -7.762 4.922 1.00 4.59 C ATOM 935 CE1 TYR A 59 -1.392 -9.147 6.897 1.00 6.52 C ATOM 936 CE2 TYR A 59 -1.564 -8.525 4.641 1.00 5.39 C ATOM 937 CZ TYR A 59 -0.913 -9.248 5.612 1.00 6.76 C ATOM 938 OH TYR A 59 0.185 -10.076 5.297 1.00 7.63 O ATOM 0 H TYR A 59 -5.606 -8.348 4.840 1.00 7.97 H new ATOM 0 HA TYR A 59 -5.068 -8.911 7.608 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -4.826 -6.523 5.641 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -4.367 -6.371 7.326 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -2.764 -8.223 8.250 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -3.157 -7.195 4.141 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -0.907 -9.711 7.680 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -1.194 -8.557 3.627 1.00 5.39 H new ATOM 0 HH TYR A 59 0.375 -10.016 4.338 1.00 7.63 H new ATOM 948 N ASN A 60 -7.720 -7.364 6.572 1.00 12.38 N ATOM 949 CA ASN A 60 -8.856 -6.503 6.696 1.00 13.94 C ATOM 950 C ASN A 60 -8.532 -5.049 6.665 1.00 14.16 C ATOM 951 O ASN A 60 -8.567 -4.355 7.680 1.00 14.26 O ATOM 952 CB ASN A 60 -9.917 -6.960 7.711 1.00 19.23 C ATOM 953 CG ASN A 60 -11.262 -6.307 7.428 1.00 22.65 C ATOM 954 OD1 ASN A 60 -11.608 -5.740 6.393 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.185 -6.458 8.416 1.00 24.09 N ATOM 0 H ASN A 60 -7.789 -7.937 5.731 1.00 12.38 H new ATOM 0 HA ASN A 60 -9.400 -6.633 5.761 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.020 -8.044 7.671 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -9.592 -6.708 8.720 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.133 -6.105 8.286 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -11.929 -6.924 9.286 1.00 24.09 H new ATOM 962 N ILE A 61 -8.181 -4.617 5.440 1.00 11.08 N ATOM 963 CA ILE A 61 -7.812 -3.279 5.095 1.00 11.78 C ATOM 964 C ILE A 61 -8.988 -2.908 4.259 1.00 13.74 C ATOM 965 O ILE A 61 -9.188 -3.430 3.163 1.00 14.60 O ATOM 966 CB ILE A 61 -6.503 -3.178 4.371 1.00 11.80 C ATOM 967 CG1 ILE A 61 -5.311 -3.613 5.241 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.139 -1.736 3.979 1.00 13.29 C ATOM 969 CD1 ILE A 61 -4.048 -3.927 4.441 1.00 11.42 C ATOM 0 H ILE A 61 -8.154 -5.246 4.637 1.00 11.08 H new ATOM 0 HA ILE A 61 -7.627 -2.623 5.946 1.00 11.78 H new ATOM 0 HB ILE A 61 -6.654 -3.820 3.503 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.089 -2.823 5.958 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -5.595 -4.495 5.816 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.181 -1.731 3.459 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -6.910 -1.331 3.323 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.067 -1.122 4.877 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -3.251 -4.226 5.122 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -4.252 -4.738 3.742 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -3.738 -3.041 3.887 1.00 11.42 H new ATOM 981 N GLN A 62 -9.877 -2.062 4.809 1.00 13.97 N ATOM 982 CA GLN A 62 -11.063 -1.641 4.129 1.00 15.52 C ATOM 983 C GLN A 62 -10.880 -0.283 3.544 1.00 13.94 C ATOM 984 O GLN A 62 -9.770 0.241 3.475 1.00 12.15 O ATOM 985 CB GLN A 62 -12.192 -1.483 5.161 1.00 19.53 C ATOM 986 CG GLN A 62 -12.530 -2.817 5.830 1.00 26.38 C ATOM 987 CD GLN A 62 -13.706 -2.745 6.793 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.812 -3.207 6.516 1.00 33.23 O ATOM 989 NE2 GLN A 62 -13.524 -2.158 8.006 1.00 32.71 N ATOM 0 H GLN A 62 -9.771 -1.663 5.742 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.286 -2.378 3.357 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.894 -0.759 5.920 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.081 -1.085 4.672 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.751 -3.554 5.058 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.653 -3.174 6.370 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.614 -1.769 8.253 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -14.298 -2.106 8.669 1.00 32.71 H new ATOM 998 N LYS A 63 -11.960 0.289 2.982 1.00 11.73 N ATOM 999 CA LYS A 63 -12.048 1.576 2.364 1.00 11.97 C ATOM 1000 C LYS A 63 -11.606 2.699 3.238 1.00 10.41 C ATOM 1001 O LYS A 63 -11.790 2.687 4.454 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.380 1.946 1.690 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.515 1.834 2.709 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.901 1.815 2.060 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.900 2.397 3.062 1.00 23.42 C ATOM 1006 NZ LYS A 63 -18.247 2.224 2.475 1.00 25.97 N ATOM 0 H LYS A 63 -12.856 -0.198 2.959 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.335 1.443 1.550 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.330 2.961 1.295 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.569 1.284 0.845 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.382 0.925 3.295 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.456 2.672 3.404 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.899 2.400 1.140 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.181 0.797 1.790 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.828 1.884 4.021 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.692 3.451 3.247 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.961 2.608 3.126 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -18.298 2.730 1.568 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -18.430 1.212 2.318 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.749 3.582 2.696 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.163 4.675 3.409 1.00 10.94 C ATOM 1022 C GLU A 64 -9.357 4.295 4.604 1.00 9.74 C ATOM 1023 O GLU A 64 -9.324 4.868 5.692 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.189 5.765 3.763 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.950 6.217 2.516 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.134 7.165 2.647 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -13.005 8.299 3.180 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -14.276 6.691 2.406 1.00 32.61 O ATOM 0 H GLU A 64 -10.452 3.533 1.721 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.448 5.089 2.698 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.891 5.384 4.505 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.681 6.617 4.214 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.228 6.690 1.850 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.308 5.319 2.012 1.00 24.16 H new ATOM 1035 N SER A 65 -8.517 3.268 4.385 1.00 6.85 N ATOM 1036 CA SER A 65 -7.679 2.826 5.456 1.00 6.90 C ATOM 1037 C SER A 65 -6.275 3.195 5.118 1.00 4.72 C ATOM 1038 O SER A 65 -5.844 3.210 3.966 1.00 3.91 O ATOM 1039 CB SER A 65 -7.703 1.290 5.531 1.00 7.28 C ATOM 1040 OG SER A 65 -7.213 0.771 6.758 1.00 10.56 O ATOM 0 H SER A 65 -8.418 2.761 3.505 1.00 6.85 H new ATOM 0 HA SER A 65 -8.022 3.271 6.390 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.726 0.944 5.383 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.108 0.886 4.712 1.00 7.28 H new ATOM 0 HG SER A 65 -7.257 -0.208 6.740 1.00 10.56 H new ATOM 1046 N THR A 66 -5.559 3.704 6.136 1.00 4.48 N ATOM 1047 CA THR A 66 -4.376 4.503 6.040 1.00 3.80 C ATOM 1048 C THR A 66 -3.218 3.640 6.407 1.00 4.60 C ATOM 1049 O THR A 66 -3.152 3.075 7.497 1.00 5.33 O ATOM 1050 CB THR A 66 -4.419 5.677 6.972 1.00 2.85 C ATOM 1051 OG1 THR A 66 -5.614 6.408 6.741 1.00 2.15 O ATOM 1052 CG2 THR A 66 -3.261 6.675 6.811 1.00 3.40 C ATOM 0 H THR A 66 -5.831 3.543 7.106 1.00 4.48 H new ATOM 0 HA THR A 66 -4.291 4.888 5.024 1.00 3.80 H new ATOM 0 HB THR A 66 -4.352 5.248 7.972 1.00 2.85 H new ATOM 0 HG1 THR A 66 -5.650 7.176 7.348 1.00 2.15 H new ATOM 0 HG21 THR A 66 -3.379 7.488 7.527 1.00 3.40 H new ATOM 0 HG22 THR A 66 -2.314 6.166 6.993 1.00 3.40 H new ATOM 0 HG23 THR A 66 -3.267 7.079 5.799 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.179 3.630 5.553 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.983 2.873 5.761 1.00 3.85 C ATOM 1062 C LEU A 67 0.128 3.862 5.843 1.00 3.80 C ATOM 1063 O LEU A 67 0.232 4.937 5.254 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.667 1.846 4.661 1.00 7.18 C ATOM 1065 CG LEU A 67 -1.811 0.835 4.475 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -1.651 0.017 3.182 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.046 -0.205 5.584 1.00 8.12 C ATOM 0 H LEU A 67 -2.171 4.168 4.687 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.113 2.282 6.668 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.485 2.366 3.720 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.250 1.314 4.914 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.666 1.512 4.473 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -2.480 -0.684 3.090 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -1.648 0.689 2.324 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -0.711 -0.534 3.214 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.884 -0.846 5.310 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.150 -0.813 5.708 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.271 0.306 6.520 1.00 8.12 H new ATOM 1079 N HIS A 68 1.140 3.442 6.624 1.00 2.94 N ATOM 1080 CA HIS A 68 2.292 4.255 6.859 1.00 4.17 C ATOM 1081 C HIS A 68 3.413 3.552 6.173 1.00 5.32 C ATOM 1082 O HIS A 68 3.517 2.336 6.321 1.00 7.70 O ATOM 1083 CB HIS A 68 2.515 4.355 8.378 1.00 5.57 C ATOM 1084 CG HIS A 68 1.371 5.073 9.031 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.293 6.451 8.993 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.179 4.679 9.554 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.085 6.827 9.493 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.620 5.767 9.841 1.00 16.30 N ATOM 0 H HIS A 68 1.160 2.537 7.094 1.00 2.94 H new ATOM 0 HA HIS A 68 2.197 5.273 6.481 1.00 4.17 H new ATOM 0 HB2 HIS A 68 2.616 3.356 8.803 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.447 4.883 8.581 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.105 3.651 9.722 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.250 7.849 9.591 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.559 5.755 10.239 1.00 16.30 H new ATOM 1096 N LEU A 69 4.032 4.356 5.290 1.00 5.29 N ATOM 1097 CA LEU A 69 5.109 3.795 4.536 1.00 3.97 C ATOM 1098 C LEU A 69 6.379 4.018 5.282 1.00 5.07 C ATOM 1099 O LEU A 69 6.716 5.135 5.671 1.00 4.34 O ATOM 1100 CB LEU A 69 5.257 4.607 3.238 1.00 6.08 C ATOM 1101 CG LEU A 69 6.273 4.013 2.248 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.660 2.778 1.567 1.00 9.96 C ATOM 1103 CD2 LEU A 69 6.724 5.048 1.204 1.00 6.87 C ATOM 0 H LEU A 69 3.807 5.333 5.104 1.00 5.29 H new ATOM 0 HA LEU A 69 4.916 2.738 4.354 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.285 4.675 2.750 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.559 5.624 3.489 1.00 6.08 H new ATOM 0 HG LEU A 69 7.163 3.715 2.803 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.379 2.355 0.865 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.409 2.033 2.322 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.757 3.069 1.031 1.00 9.96 H new ATOM 0 HD21 LEU A 69 7.441 4.589 0.523 1.00 6.87 H new ATOM 0 HD22 LEU A 69 5.859 5.396 0.639 1.00 6.87 H new ATOM 0 HD23 LEU A 69 7.192 5.893 1.708 1.00 6.87 H new ATOM 1115 N VAL A 70 7.140 2.946 5.567 1.00 4.29 N ATOM 1116 CA VAL A 70 8.491 2.925 6.037 1.00 6.26 C ATOM 1117 C VAL A 70 9.403 2.670 4.886 1.00 9.22 C ATOM 1118 O VAL A 70 8.986 2.043 3.914 1.00 9.36 O ATOM 1119 CB VAL A 70 8.768 1.949 7.142 1.00 8.69 C ATOM 1120 CG1 VAL A 70 8.018 2.312 8.435 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.392 0.537 6.663 1.00 8.54 C ATOM 0 H VAL A 70 6.770 2.002 5.457 1.00 4.29 H new ATOM 0 HA VAL A 70 8.671 3.905 6.479 1.00 6.26 H new ATOM 0 HB VAL A 70 9.830 1.986 7.383 1.00 8.69 H new ATOM 0 HG11 VAL A 70 8.248 1.578 9.207 1.00 9.76 H new ATOM 0 HG12 VAL A 70 8.329 3.302 8.770 1.00 9.76 H new ATOM 0 HG13 VAL A 70 6.945 2.314 8.245 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.589 -0.182 7.458 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.334 0.510 6.404 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.986 0.280 5.786 1.00 8.54 H new ATOM 1131 N LEU A 71 10.668 3.124 4.862 1.00 12.71 N ATOM 1132 CA LEU A 71 11.652 2.610 3.961 1.00 16.06 C ATOM 1133 C LEU A 71 12.322 1.430 4.577 1.00 18.09 C ATOM 1134 O LEU A 71 12.523 1.309 5.784 1.00 19.26 O ATOM 1135 CB LEU A 71 12.760 3.575 3.506 1.00 17.10 C ATOM 1136 CG LEU A 71 12.308 4.949 2.982 1.00 19.37 C ATOM 1137 CD1 LEU A 71 13.377 6.016 3.268 1.00 19.57 C ATOM 1138 CD2 LEU A 71 12.124 4.909 1.456 1.00 17.51 C ATOM 0 H LEU A 71 11.014 3.860 5.478 1.00 12.71 H new ATOM 0 HA LEU A 71 11.075 2.377 3.066 1.00 16.06 H new ATOM 0 HB2 LEU A 71 13.436 3.737 4.346 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.337 3.085 2.722 1.00 17.10 H new ATOM 0 HG LEU A 71 11.371 5.191 3.484 1.00 19.37 H new ATOM 0 HD11 LEU A 71 13.039 6.981 2.890 1.00 19.57 H new ATOM 0 HD12 LEU A 71 13.543 6.086 4.343 1.00 19.57 H new ATOM 0 HD13 LEU A 71 14.309 5.739 2.774 1.00 19.57 H new ATOM 0 HD21 LEU A 71 11.804 5.889 1.102 1.00 17.51 H new ATOM 0 HD22 LEU A 71 13.069 4.643 0.982 1.00 17.51 H new ATOM 0 HD23 LEU A 71 11.368 4.166 1.200 1.00 17.51 H new ATOM 1150 N ARG A 72 12.801 0.520 3.710 1.00 21.47 N ATOM 1151 CA ARG A 72 13.542 -0.602 4.197 1.00 25.83 C ATOM 1152 C ARG A 72 14.747 -0.800 3.344 1.00 27.74 C ATOM 1153 O ARG A 72 14.988 -0.036 2.410 1.00 30.65 O ATOM 1154 CB ARG A 72 12.677 -1.874 4.225 1.00 28.49 C ATOM 1155 CG ARG A 72 11.980 -2.124 2.886 1.00 31.79 C ATOM 1156 CD ARG A 72 11.742 -3.581 2.484 1.00 34.05 C ATOM 1157 NE ARG A 72 13.065 -4.141 2.086 1.00 35.08 N ATOM 1158 CZ ARG A 72 13.070 -5.315 1.390 1.00 34.67 C ATOM 1159 NH1 ARG A 72 12.001 -6.162 1.319 1.00 35.02 N ATOM 1160 NH2 ARG A 72 14.252 -5.778 0.887 1.00 34.97 N ATOM 0 H ARG A 72 12.680 0.557 2.698 1.00 21.47 H new ATOM 0 HA ARG A 72 13.853 -0.401 5.222 1.00 25.83 H new ATOM 0 HB2 ARG A 72 13.302 -2.732 4.474 1.00 28.49 H new ATOM 0 HB3 ARG A 72 11.928 -1.786 5.012 1.00 28.49 H new ATOM 0 HG2 ARG A 72 11.015 -1.617 2.907 1.00 31.79 H new ATOM 0 HG3 ARG A 72 12.572 -1.650 2.103 1.00 31.79 H new ATOM 0 HD2 ARG A 72 11.317 -4.146 3.314 1.00 34.05 H new ATOM 0 HD3 ARG A 72 11.032 -3.643 1.659 1.00 34.05 H new ATOM 0 HE ARG A 72 13.934 -3.664 2.325 1.00 35.08 H new ATOM 0 HH11 ARG A 72 11.134 -5.931 1.804 1.00 35.02 H new ATOM 0 HH12 ARG A 72 12.070 -7.026 0.781 1.00 35.02 H new ATOM 0 HH21 ARG A 72 15.111 -5.248 1.034 1.00 34.97 H new ATOM 0 HH22 ARG A 72 14.276 -6.653 0.364 1.00 34.97 H new ATOM 1174 N LEU A 73 15.625 -1.773 3.646 1.00 28.93 N ATOM 1175 CA LEU A 73 16.870 -1.967 2.970 1.00 30.76 C ATOM 1176 C LEU A 73 16.616 -2.628 1.659 1.00 32.18 C ATOM 1177 O LEU A 73 15.724 -3.458 1.490 1.00 32.31 O ATOM 1178 CB LEU A 73 17.883 -2.806 3.766 1.00 30.53 C ATOM 1179 CG LEU A 73 18.316 -2.173 5.100 1.00 30.16 C ATOM 1180 CD1 LEU A 73 19.051 -3.118 6.064 1.00 29.11 C ATOM 1181 CD2 LEU A 73 19.112 -0.898 4.774 1.00 29.57 C ATOM 0 H LEU A 73 15.461 -2.451 4.390 1.00 28.93 H new ATOM 0 HA LEU A 73 17.312 -0.979 2.842 1.00 30.76 H new ATOM 0 HB2 LEU A 73 17.449 -3.786 3.966 1.00 30.53 H new ATOM 0 HB3 LEU A 73 18.767 -2.968 3.150 1.00 30.53 H new ATOM 0 HG LEU A 73 17.419 -1.925 5.667 1.00 30.16 H new ATOM 0 HD11 LEU A 73 19.314 -2.578 6.974 1.00 29.11 H new ATOM 0 HD12 LEU A 73 18.403 -3.958 6.315 1.00 29.11 H new ATOM 0 HD13 LEU A 73 19.958 -3.490 5.588 1.00 29.11 H new ATOM 0 HD21 LEU A 73 19.435 -0.424 5.701 1.00 29.57 H new ATOM 0 HD22 LEU A 73 19.986 -1.157 4.176 1.00 29.57 H new ATOM 0 HD23 LEU A 73 18.481 -0.208 4.214 1.00 29.57 H new ATOM 1193 N ARG A 74 17.407 -2.196 0.660 1.00 33.82 N ATOM 1194 CA ARG A 74 17.105 -2.552 -0.691 1.00 35.33 C ATOM 1195 C ARG A 74 17.556 -3.900 -1.138 1.00 36.22 C ATOM 1196 O ARG A 74 18.332 -4.597 -0.486 1.00 36.70 O ATOM 1197 CB ARG A 74 17.802 -1.533 -1.609 1.00 36.91 C ATOM 1198 CG ARG A 74 17.086 -0.200 -1.381 1.00 38.62 C ATOM 1199 CD ARG A 74 17.416 0.804 -2.487 1.00 39.75 C ATOM 1200 NE ARG A 74 16.788 0.319 -3.748 1.00 41.13 N ATOM 1201 CZ ARG A 74 16.597 0.974 -4.930 1.00 41.91 C ATOM 1202 NH1 ARG A 74 17.387 2.026 -5.293 1.00 42.75 N ATOM 1203 NH2 ARG A 74 15.547 0.520 -5.674 1.00 41.93 N ATOM 0 H ARG A 74 18.236 -1.614 0.782 1.00 33.82 H new ATOM 0 HA ARG A 74 16.016 -2.560 -0.746 1.00 35.33 H new ATOM 0 HB2 ARG A 74 18.862 -1.452 -1.368 1.00 36.91 H new ATOM 0 HB3 ARG A 74 17.734 -1.838 -2.653 1.00 36.91 H new ATOM 0 HG2 ARG A 74 16.009 -0.365 -1.346 1.00 38.62 H new ATOM 0 HG3 ARG A 74 17.378 0.211 -0.415 1.00 38.62 H new ATOM 0 HD2 ARG A 74 17.039 1.794 -2.229 1.00 39.75 H new ATOM 0 HD3 ARG A 74 18.495 0.896 -2.609 1.00 39.75 H new ATOM 0 HE ARG A 74 16.452 -0.644 -3.724 1.00 41.13 H new ATOM 0 HH11 ARG A 74 18.138 2.337 -4.676 1.00 42.75 H new ATOM 0 HH12 ARG A 74 17.227 2.501 -6.181 1.00 42.75 H new ATOM 0 HH21 ARG A 74 14.976 -0.253 -5.332 1.00 41.93 H new ATOM 0 HH22 ARG A 74 15.333 0.954 -6.572 1.00 41.93 H new ATOM 1217 N GLY A 75 17.014 -4.423 -2.252 1.00 36.31 N ATOM 1218 CA GLY A 75 17.251 -5.759 -2.705 1.00 36.07 C ATOM 1219 C GLY A 75 16.034 -6.606 -2.843 1.00 36.16 C ATOM 1220 O GLY A 75 15.520 -6.854 -3.932 1.00 36.26 O ATOM 0 H GLY A 75 16.387 -3.896 -2.860 1.00 36.31 H new ATOM 0 HA2 GLY A 75 17.755 -5.714 -3.671 1.00 36.07 H new ATOM 0 HA3 GLY A 75 17.936 -6.245 -2.010 1.00 36.07 H new ATOM 1224 N GLY A 76 15.546 -7.203 -1.741 1.00 36.05 N ATOM 1225 CA GLY A 76 14.456 -8.125 -1.828 1.00 36.19 C ATOM 1226 C GLY A 76 14.356 -8.874 -0.507 1.00 36.20 C ATOM 1227 O GLY A 76 14.754 -8.416 0.597 1.00 36.13 O ATOM 1228 OXT GLY A 76 13.912 -10.053 -0.524 1.00 36.27 O ATOM 0 H GLY A 76 15.902 -7.050 -0.798 1.00 36.05 H new ATOM 0 HA2 GLY A 76 13.526 -7.595 -2.035 1.00 36.19 H new ATOM 0 HA3 GLY A 76 14.615 -8.824 -2.649 1.00 36.19 H new TER 1232 GLY A 76