USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 468 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 18 SER OG : rot 55:sc= -0.462 USER MOD Set 2.2: A 19 HIS : no HE2:sc= 0.149 K(o=-0.31,f=-6.2!) USER MOD Set 3.1: A 5 GLN : amide:sc= 0 K(o=-1.8,f=-2.4!) USER MOD Set 3.2: A 7 ASN : amide:sc= -1.77! C(o=-1.8!,f=-3.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00884 USER MOD Single : A 13 HIS : no HD1:sc= -3.17 K(o=-3.2,f=-4.6!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 19:sc= 1.54 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 36 GLN : amide:sc= -1.82! K(o=-1.8!,f=-0.82) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 1.16 (180deg=1.09) USER MOD Single : A 44 GLN : amide:sc= -0.153 K(o=-0.15,f=-4.8!) USER MOD Single : A 45 SER OG : rot 180:sc= -1.09 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 57 ASN : amide:sc= -0.188 K(o=-0.19,f=-2.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.943 6.689 21.162 1.00 0.00 N ATOM 2 CA GLY A 1 3.285 6.284 19.888 1.00 0.00 C ATOM 3 C GLY A 1 2.265 5.178 20.168 1.00 0.00 C ATOM 4 O GLY A 1 2.543 4.007 20.001 1.00 0.00 O ATOM 0 H1 GLY A 1 4.636 7.441 20.971 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.225 7.041 21.827 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.428 5.869 21.578 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.791 7.142 19.433 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.032 5.932 19.176 1.00 0.00 H new ATOM 10 N SER A 2 1.085 5.541 20.593 1.00 0.00 N ATOM 11 CA SER A 2 0.048 4.510 20.884 1.00 0.00 C ATOM 12 C SER A 2 -1.227 4.804 20.088 1.00 0.00 C ATOM 13 O SER A 2 -2.175 5.355 20.612 1.00 0.00 O ATOM 14 CB SER A 2 -0.217 4.626 22.385 1.00 0.00 C ATOM 15 OG SER A 2 -0.127 5.988 22.777 1.00 0.00 O ATOM 0 H SER A 2 0.795 6.506 20.751 1.00 0.00 H new ATOM 0 HA SER A 2 0.372 3.507 20.605 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.205 4.233 22.622 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.506 4.028 22.940 1.00 0.00 H new ATOM 0 HG SER A 2 -0.298 6.064 23.739 1.00 0.00 H new ATOM 21 N PRO A 3 -1.203 4.424 18.840 1.00 0.00 N ATOM 22 CA PRO A 3 -2.395 4.667 17.985 1.00 0.00 C ATOM 23 C PRO A 3 -3.659 4.139 18.669 1.00 0.00 C ATOM 24 O PRO A 3 -3.628 3.147 19.371 1.00 0.00 O ATOM 25 CB PRO A 3 -2.103 3.883 16.711 1.00 0.00 C ATOM 26 CG PRO A 3 -1.155 2.811 17.131 1.00 0.00 C ATOM 27 CD PRO A 3 -0.351 3.364 18.279 1.00 0.00 C ATOM 0 HA PRO A 3 -2.569 5.726 17.793 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -3.015 3.461 16.289 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.663 4.522 15.945 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.696 1.914 17.434 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -0.503 2.526 16.305 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.133 2.595 19.020 1.00 0.00 H new ATOM 0 HD3 PRO A 3 0.606 3.760 17.940 1.00 0.00 H new ATOM 35 N LEU A 4 -4.771 4.792 18.469 1.00 0.00 N ATOM 36 CA LEU A 4 -6.036 4.324 19.107 1.00 0.00 C ATOM 37 C LEU A 4 -6.345 2.888 18.676 1.00 0.00 C ATOM 38 O LEU A 4 -6.818 2.084 19.455 1.00 0.00 O ATOM 39 CB LEU A 4 -7.115 5.280 18.597 1.00 0.00 C ATOM 40 CG LEU A 4 -6.768 6.711 19.011 1.00 0.00 C ATOM 41 CD1 LEU A 4 -7.931 7.641 18.657 1.00 0.00 C ATOM 42 CD2 LEU A 4 -6.517 6.760 20.519 1.00 0.00 C ATOM 0 H LEU A 4 -4.859 5.629 17.892 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.974 4.323 20.195 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.192 5.213 17.512 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.087 4.998 19.003 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.871 7.034 18.483 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.684 8.661 18.952 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.110 7.607 17.582 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.829 7.318 19.184 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.270 7.780 20.814 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.414 6.437 21.048 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.688 6.098 20.772 1.00 0.00 H new ATOM 54 N GLN A 5 -6.081 2.560 17.441 1.00 0.00 N ATOM 55 CA GLN A 5 -6.360 1.176 16.960 1.00 0.00 C ATOM 56 C GLN A 5 -5.728 0.151 17.906 1.00 0.00 C ATOM 57 O GLN A 5 -6.216 -0.951 18.057 1.00 0.00 O ATOM 58 CB GLN A 5 -5.715 1.101 15.576 1.00 0.00 C ATOM 59 CG GLN A 5 -6.411 2.086 14.635 1.00 0.00 C ATOM 60 CD GLN A 5 -5.695 2.091 13.283 1.00 0.00 C ATOM 61 OE1 GLN A 5 -4.692 1.428 13.111 1.00 0.00 O ATOM 62 NE2 GLN A 5 -6.172 2.817 12.309 1.00 0.00 N ATOM 0 H GLN A 5 -5.684 3.190 16.744 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.427 0.957 16.924 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.653 1.336 15.645 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.792 0.088 15.181 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.456 1.804 14.504 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.402 3.087 15.067 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.014 3.374 12.453 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.702 2.828 11.404 1.00 0.00 H new ATOM 71 N ASP A 6 -4.645 0.505 18.542 1.00 0.00 N ATOM 72 CA ASP A 6 -3.983 -0.450 19.477 1.00 0.00 C ATOM 73 C ASP A 6 -3.692 -1.773 18.763 1.00 0.00 C ATOM 74 O ASP A 6 -4.034 -2.836 19.241 1.00 0.00 O ATOM 75 CB ASP A 6 -4.991 -0.662 20.607 1.00 0.00 C ATOM 76 CG ASP A 6 -5.156 0.641 21.393 1.00 0.00 C ATOM 77 OD1 ASP A 6 -4.336 1.525 21.214 1.00 0.00 O ATOM 78 OD2 ASP A 6 -6.100 0.730 22.160 1.00 0.00 O ATOM 0 H ASP A 6 -4.190 1.414 18.455 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.030 -0.072 19.847 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.951 -0.977 20.198 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.650 -1.458 21.269 1.00 0.00 H new ATOM 83 N ASN A 7 -3.064 -1.715 17.622 1.00 0.00 N ATOM 84 CA ASN A 7 -2.751 -2.969 16.878 1.00 0.00 C ATOM 85 C ASN A 7 -1.411 -3.542 17.345 1.00 0.00 C ATOM 86 O ASN A 7 -0.866 -4.445 16.742 1.00 0.00 O ATOM 87 CB ASN A 7 -2.673 -2.550 15.410 1.00 0.00 C ATOM 88 CG ASN A 7 -4.072 -2.186 14.909 1.00 0.00 C ATOM 89 OD1 ASN A 7 -4.263 -1.153 14.300 1.00 0.00 O ATOM 90 ND2 ASN A 7 -5.067 -2.999 15.144 1.00 0.00 N ATOM 0 H ASN A 7 -2.754 -0.854 17.172 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.500 -3.743 17.041 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.002 -1.698 15.299 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.260 -3.361 14.811 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.004 -2.766 14.816 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.907 -3.867 15.656 1.00 0.00 H new ATOM 97 N LEU A 8 -0.875 -3.025 18.418 1.00 0.00 N ATOM 98 CA LEU A 8 0.429 -3.541 18.924 1.00 0.00 C ATOM 99 C LEU A 8 0.194 -4.573 20.031 1.00 0.00 C ATOM 100 O LEU A 8 -0.774 -4.503 20.763 1.00 0.00 O ATOM 101 CB LEU A 8 1.151 -2.314 19.481 1.00 0.00 C ATOM 102 CG LEU A 8 1.567 -1.399 18.328 1.00 0.00 C ATOM 103 CD1 LEU A 8 0.423 -0.434 18.005 1.00 0.00 C ATOM 104 CD2 LEU A 8 2.808 -0.601 18.731 1.00 0.00 C ATOM 0 H LEU A 8 -1.284 -2.268 18.966 1.00 0.00 H new ATOM 0 HA LEU A 8 1.008 -4.036 18.145 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.498 -1.776 20.169 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.029 -2.622 20.049 1.00 0.00 H new ATOM 0 HG LEU A 8 1.793 -2.003 17.449 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.718 0.219 17.183 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.462 -1.002 17.717 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.197 0.169 18.884 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.104 0.051 17.909 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.583 0.003 19.610 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.623 -1.287 18.961 1.00 0.00 H new ATOM 116 N VAL A 9 1.071 -5.531 20.160 1.00 0.00 N ATOM 117 CA VAL A 9 0.894 -6.564 21.221 1.00 0.00 C ATOM 118 C VAL A 9 2.254 -7.089 21.686 1.00 0.00 C ATOM 119 O VAL A 9 3.274 -6.820 21.083 1.00 0.00 O ATOM 120 CB VAL A 9 0.093 -7.684 20.556 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.345 -7.218 20.325 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.735 -8.044 19.215 1.00 0.00 C ATOM 0 H VAL A 9 1.901 -5.643 19.578 1.00 0.00 H new ATOM 0 HA VAL A 9 0.389 -6.164 22.100 1.00 0.00 H new ATOM 0 HB VAL A 9 0.090 -8.560 21.204 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.915 -8.017 19.851 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.803 -6.964 21.281 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.344 -6.341 19.678 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.164 -8.842 18.741 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.740 -7.167 18.567 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.759 -8.379 19.380 1.00 0.00 H new ATOM 132 N ILE A 10 2.274 -7.846 22.748 1.00 0.00 N ATOM 133 CA ILE A 10 3.563 -8.400 23.247 1.00 0.00 C ATOM 134 C ILE A 10 3.530 -9.927 23.165 1.00 0.00 C ATOM 135 O ILE A 10 2.515 -10.547 23.412 1.00 0.00 O ATOM 136 CB ILE A 10 3.659 -7.941 24.703 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.478 -6.424 24.775 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.031 -8.320 25.267 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.364 -5.992 26.238 1.00 0.00 C ATOM 0 H ILE A 10 1.451 -8.105 23.293 1.00 0.00 H new ATOM 0 HA ILE A 10 4.419 -8.061 22.663 1.00 0.00 H new ATOM 0 HB ILE A 10 2.878 -8.426 25.289 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.323 -5.924 24.302 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.584 -6.127 24.227 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.101 -7.993 26.305 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.159 -9.401 25.218 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.812 -7.835 24.681 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.235 -4.911 26.289 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.505 -6.482 26.696 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.271 -6.275 26.773 1.00 0.00 H new ATOM 151 N ALA A 11 4.625 -10.540 22.813 1.00 0.00 N ATOM 152 CA ALA A 11 4.640 -12.026 22.711 1.00 0.00 C ATOM 153 C ALA A 11 4.798 -12.657 24.096 1.00 0.00 C ATOM 154 O ALA A 11 5.823 -12.530 24.732 1.00 0.00 O ATOM 155 CB ALA A 11 5.850 -12.348 21.835 1.00 0.00 C ATOM 0 H ALA A 11 5.507 -10.079 22.592 1.00 0.00 H new ATOM 0 HA ALA A 11 3.713 -12.418 22.292 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.932 -13.428 21.711 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.728 -11.878 20.859 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.754 -11.968 22.310 1.00 0.00 H new ATOM 161 N LEU A 12 3.796 -13.349 24.565 1.00 0.00 N ATOM 162 CA LEU A 12 3.908 -13.997 25.902 1.00 0.00 C ATOM 163 C LEU A 12 4.957 -15.108 25.834 1.00 0.00 C ATOM 164 O LEU A 12 5.550 -15.485 26.827 1.00 0.00 O ATOM 165 CB LEU A 12 2.522 -14.579 26.181 1.00 0.00 C ATOM 166 CG LEU A 12 1.483 -13.457 26.164 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.100 -14.038 26.462 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.839 -12.414 27.227 1.00 0.00 C ATOM 0 H LEU A 12 2.909 -13.493 24.083 1.00 0.00 H new ATOM 0 HA LEU A 12 4.213 -13.303 26.686 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.274 -15.330 25.431 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.515 -15.081 27.149 1.00 0.00 H new ATOM 0 HG LEU A 12 1.475 -12.985 25.181 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.641 -13.239 26.450 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.154 -14.780 25.705 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.108 -14.511 27.444 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.098 -11.614 27.215 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.848 -12.885 28.210 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.824 -11.999 27.014 1.00 0.00 H new ATOM 180 N HIS A 13 5.189 -15.628 24.661 1.00 0.00 N ATOM 181 CA HIS A 13 6.198 -16.713 24.499 1.00 0.00 C ATOM 182 C HIS A 13 6.683 -16.749 23.047 1.00 0.00 C ATOM 183 O HIS A 13 5.960 -16.400 22.137 1.00 0.00 O ATOM 184 CB HIS A 13 5.451 -17.999 24.849 1.00 0.00 C ATOM 185 CG HIS A 13 5.334 -18.121 26.343 1.00 0.00 C ATOM 186 ND1 HIS A 13 4.198 -17.722 27.030 1.00 0.00 N ATOM 187 CD2 HIS A 13 6.201 -18.597 27.296 1.00 0.00 C ATOM 188 CE1 HIS A 13 4.410 -17.963 28.337 1.00 0.00 C ATOM 189 NE2 HIS A 13 5.615 -18.495 28.555 1.00 0.00 N ATOM 0 H HIS A 13 4.719 -15.346 23.801 1.00 0.00 H new ATOM 0 HA HIS A 13 7.076 -16.571 25.130 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.460 -17.991 24.396 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.980 -18.861 24.444 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.187 -18.991 27.099 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.692 -17.752 29.116 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.019 -18.768 29.451 1.00 0.00 H new ATOM 197 N SER A 14 7.896 -17.170 22.816 1.00 0.00 N ATOM 198 CA SER A 14 8.407 -17.223 21.415 1.00 0.00 C ATOM 199 C SER A 14 7.567 -18.198 20.586 1.00 0.00 C ATOM 200 O SER A 14 7.150 -19.232 21.067 1.00 0.00 O ATOM 201 CB SER A 14 9.846 -17.724 21.538 1.00 0.00 C ATOM 202 OG SER A 14 9.841 -19.125 21.774 1.00 0.00 O ATOM 0 H SER A 14 8.554 -17.478 23.532 1.00 0.00 H new ATOM 0 HA SER A 14 8.355 -16.255 20.917 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.400 -17.500 20.626 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.353 -17.209 22.354 1.00 0.00 H new ATOM 0 HG SER A 14 10.763 -19.447 21.851 1.00 0.00 H new ATOM 208 N TYR A 15 7.311 -17.880 19.344 1.00 0.00 N ATOM 209 CA TYR A 15 6.494 -18.800 18.502 1.00 0.00 C ATOM 210 C TYR A 15 7.396 -19.625 17.580 1.00 0.00 C ATOM 211 O TYR A 15 8.543 -19.291 17.353 1.00 0.00 O ATOM 212 CB TYR A 15 5.580 -17.891 17.680 1.00 0.00 C ATOM 213 CG TYR A 15 4.724 -18.738 16.770 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.537 -19.297 17.253 1.00 0.00 C ATOM 215 CD2 TYR A 15 5.118 -18.965 15.446 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.742 -20.086 16.413 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.324 -19.754 14.605 1.00 0.00 C ATOM 218 CZ TYR A 15 3.135 -20.315 15.088 1.00 0.00 C ATOM 219 OH TYR A 15 2.352 -21.092 14.260 1.00 0.00 O ATOM 0 H TYR A 15 7.630 -17.030 18.880 1.00 0.00 H new ATOM 0 HA TYR A 15 5.927 -19.508 19.107 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.950 -17.295 18.341 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.175 -17.192 17.092 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.233 -19.120 18.274 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.034 -18.532 15.073 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.825 -20.518 16.787 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.628 -19.930 13.584 1.00 0.00 H new ATOM 0 HH TYR A 15 1.445 -21.148 14.626 1.00 0.00 H new ATOM 229 N GLU A 16 6.883 -20.699 17.044 1.00 0.00 N ATOM 230 CA GLU A 16 7.702 -21.547 16.131 1.00 0.00 C ATOM 231 C GLU A 16 7.044 -21.612 14.749 1.00 0.00 C ATOM 232 O GLU A 16 5.909 -22.027 14.621 1.00 0.00 O ATOM 233 CB GLU A 16 7.719 -22.929 16.785 1.00 0.00 C ATOM 234 CG GLU A 16 9.124 -23.223 17.317 1.00 0.00 C ATOM 235 CD GLU A 16 9.143 -24.605 17.973 1.00 0.00 C ATOM 236 OE1 GLU A 16 8.982 -25.580 17.257 1.00 0.00 O ATOM 237 OE2 GLU A 16 9.318 -24.664 19.178 1.00 0.00 O ATOM 0 H GLU A 16 5.930 -21.027 17.199 1.00 0.00 H new ATOM 0 HA GLU A 16 8.709 -21.154 15.988 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.995 -22.967 17.599 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.426 -23.690 16.061 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.848 -23.185 16.503 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.417 -22.462 18.040 1.00 0.00 H new ATOM 244 N PRO A 17 7.783 -21.189 13.760 1.00 0.00 N ATOM 245 CA PRO A 17 7.223 -21.206 12.384 1.00 0.00 C ATOM 246 C PRO A 17 7.293 -22.618 11.793 1.00 0.00 C ATOM 247 O PRO A 17 8.292 -23.014 11.226 1.00 0.00 O ATOM 248 CB PRO A 17 8.121 -20.252 11.606 1.00 0.00 C ATOM 249 CG PRO A 17 9.415 -20.252 12.351 1.00 0.00 C ATOM 250 CD PRO A 17 9.089 -20.514 13.797 1.00 0.00 C ATOM 0 HA PRO A 17 6.174 -20.912 12.353 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.257 -20.587 10.578 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.690 -19.252 11.561 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.085 -21.019 11.961 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.925 -19.296 12.238 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.847 -21.140 14.268 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.041 -19.587 14.368 1.00 0.00 H new ATOM 258 N SER A 18 6.238 -23.377 11.914 1.00 0.00 N ATOM 259 CA SER A 18 6.246 -24.757 11.351 1.00 0.00 C ATOM 260 C SER A 18 5.986 -24.709 9.844 1.00 0.00 C ATOM 261 O SER A 18 5.934 -25.725 9.178 1.00 0.00 O ATOM 262 CB SER A 18 5.111 -25.487 12.069 1.00 0.00 C ATOM 263 OG SER A 18 3.865 -25.063 11.538 1.00 0.00 O ATOM 0 H SER A 18 5.372 -23.102 12.378 1.00 0.00 H new ATOM 0 HA SER A 18 7.204 -25.258 11.494 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.223 -26.564 11.947 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.151 -25.281 13.139 1.00 0.00 H new ATOM 0 HG SER A 18 3.861 -25.197 10.567 1.00 0.00 H new ATOM 269 N HIS A 19 5.825 -23.533 9.300 1.00 0.00 N ATOM 270 CA HIS A 19 5.571 -23.413 7.836 1.00 0.00 C ATOM 271 C HIS A 19 6.242 -22.149 7.293 1.00 0.00 C ATOM 272 O HIS A 19 6.649 -21.281 8.040 1.00 0.00 O ATOM 273 CB HIS A 19 4.051 -23.313 7.703 1.00 0.00 C ATOM 274 CG HIS A 19 3.432 -24.654 7.989 1.00 0.00 C ATOM 275 ND1 HIS A 19 2.777 -24.927 9.180 1.00 0.00 N ATOM 276 CD2 HIS A 19 3.357 -25.807 7.248 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.342 -26.198 9.122 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.670 -26.781 7.965 1.00 0.00 N ATOM 0 H HIS A 19 5.859 -22.649 9.807 1.00 0.00 H new ATOM 0 HA HIS A 19 5.972 -24.256 7.274 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.663 -22.567 8.396 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.784 -22.984 6.699 1.00 0.00 H new ATOM 0 HD1 HIS A 19 2.648 -24.281 9.959 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.769 -25.938 6.258 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.794 -26.688 9.914 1.00 0.00 H new ATOM 286 N ASP A 20 6.364 -22.037 5.999 1.00 0.00 N ATOM 287 CA ASP A 20 7.009 -20.827 5.415 1.00 0.00 C ATOM 288 C ASP A 20 6.033 -19.648 5.432 1.00 0.00 C ATOM 289 O ASP A 20 4.894 -19.767 5.026 1.00 0.00 O ATOM 290 CB ASP A 20 7.355 -21.216 3.978 1.00 0.00 C ATOM 291 CG ASP A 20 8.216 -22.481 3.985 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.840 -22.743 4.999 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.236 -23.166 2.976 1.00 0.00 O ATOM 0 H ASP A 20 6.046 -22.730 5.322 1.00 0.00 H new ATOM 0 HA ASP A 20 7.891 -20.518 5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.443 -21.387 3.407 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.890 -20.402 3.488 1.00 0.00 H new ATOM 298 N GLY A 21 6.470 -18.509 5.897 1.00 0.00 N ATOM 299 CA GLY A 21 5.564 -17.326 5.937 1.00 0.00 C ATOM 300 C GLY A 21 5.135 -17.056 7.381 1.00 0.00 C ATOM 301 O GLY A 21 4.497 -16.063 7.671 1.00 0.00 O ATOM 0 H GLY A 21 7.413 -18.347 6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.072 -16.452 5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.688 -17.505 5.314 1.00 0.00 H new ATOM 305 N ASP A 22 5.477 -17.929 8.288 1.00 0.00 N ATOM 306 CA ASP A 22 5.082 -17.714 9.710 1.00 0.00 C ATOM 307 C ASP A 22 6.182 -16.953 10.455 1.00 0.00 C ATOM 308 O ASP A 22 7.298 -16.837 9.988 1.00 0.00 O ATOM 309 CB ASP A 22 4.912 -19.117 10.296 1.00 0.00 C ATOM 310 CG ASP A 22 3.914 -19.908 9.447 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.575 -19.437 8.373 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.506 -20.971 9.884 1.00 0.00 O ATOM 0 H ASP A 22 6.011 -18.779 8.108 1.00 0.00 H new ATOM 0 HA ASP A 22 4.170 -17.124 9.798 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.873 -19.631 10.320 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.559 -19.052 11.325 1.00 0.00 H new ATOM 317 N LEU A 23 5.875 -16.433 11.612 1.00 0.00 N ATOM 318 CA LEU A 23 6.901 -15.681 12.389 1.00 0.00 C ATOM 319 C LEU A 23 7.073 -16.310 13.774 1.00 0.00 C ATOM 320 O LEU A 23 6.114 -16.525 14.491 1.00 0.00 O ATOM 321 CB LEU A 23 6.347 -14.261 12.504 1.00 0.00 C ATOM 322 CG LEU A 23 7.460 -13.313 12.953 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.570 -13.293 11.900 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.892 -11.902 13.121 1.00 0.00 C ATOM 0 H LEU A 23 4.957 -16.496 12.053 1.00 0.00 H new ATOM 0 HA LEU A 23 7.880 -15.695 11.910 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.945 -13.938 11.544 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.524 -14.237 13.219 1.00 0.00 H new ATOM 0 HG LEU A 23 7.867 -13.657 13.904 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.363 -12.617 12.220 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.976 -14.298 11.780 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.163 -12.950 10.949 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.685 -11.226 13.441 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.484 -11.558 12.170 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.102 -11.915 13.871 1.00 0.00 H new ATOM 336 N GLY A 24 8.285 -16.608 14.157 1.00 0.00 N ATOM 337 CA GLY A 24 8.514 -17.225 15.493 1.00 0.00 C ATOM 338 C GLY A 24 9.134 -16.195 16.437 1.00 0.00 C ATOM 339 O GLY A 24 10.185 -16.416 17.007 1.00 0.00 O ATOM 0 H GLY A 24 9.126 -16.450 13.602 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.571 -17.587 15.903 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.173 -18.088 15.398 1.00 0.00 H new ATOM 343 N PHE A 25 8.498 -15.069 16.603 1.00 0.00 N ATOM 344 CA PHE A 25 9.051 -14.018 17.504 1.00 0.00 C ATOM 345 C PHE A 25 9.531 -14.628 18.824 1.00 0.00 C ATOM 346 O PHE A 25 9.300 -15.787 19.106 1.00 0.00 O ATOM 347 CB PHE A 25 7.885 -13.054 17.745 1.00 0.00 C ATOM 348 CG PHE A 25 6.669 -13.812 18.233 1.00 0.00 C ATOM 349 CD1 PHE A 25 5.759 -14.352 17.314 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.447 -13.968 19.606 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.631 -15.047 17.769 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.319 -14.662 20.060 1.00 0.00 C ATOM 353 CZ PHE A 25 4.411 -15.200 19.142 1.00 0.00 C ATOM 0 H PHE A 25 7.615 -14.830 16.152 1.00 0.00 H new ATOM 0 HA PHE A 25 9.915 -13.518 17.066 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.172 -12.302 18.480 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.646 -12.524 16.823 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.928 -14.232 16.254 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.147 -13.553 20.316 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.931 -15.465 17.060 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.150 -14.782 21.120 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.540 -15.733 19.493 1.00 0.00 H new ATOM 363 N GLU A 26 10.199 -13.851 19.633 1.00 0.00 N ATOM 364 CA GLU A 26 10.699 -14.377 20.935 1.00 0.00 C ATOM 365 C GLU A 26 9.736 -13.999 22.064 1.00 0.00 C ATOM 366 O GLU A 26 8.783 -13.269 21.865 1.00 0.00 O ATOM 367 CB GLU A 26 12.055 -13.701 21.141 1.00 0.00 C ATOM 368 CG GLU A 26 12.979 -14.042 19.971 1.00 0.00 C ATOM 369 CD GLU A 26 14.328 -13.347 20.166 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.406 -12.479 21.019 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.259 -13.697 19.461 1.00 0.00 O ATOM 0 H GLU A 26 10.420 -12.873 19.448 1.00 0.00 H new ATOM 0 HA GLU A 26 10.780 -15.464 20.937 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.927 -12.621 21.214 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.500 -14.034 22.079 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.120 -15.121 19.908 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.526 -13.724 19.032 1.00 0.00 H new ATOM 378 N LYS A 27 9.982 -14.484 23.249 1.00 0.00 N ATOM 379 CA LYS A 27 9.082 -14.153 24.389 1.00 0.00 C ATOM 380 C LYS A 27 9.252 -12.686 24.793 1.00 0.00 C ATOM 381 O LYS A 27 10.333 -12.242 25.127 1.00 0.00 O ATOM 382 CB LYS A 27 9.525 -15.078 25.524 1.00 0.00 C ATOM 383 CG LYS A 27 10.951 -14.719 25.951 1.00 0.00 C ATOM 384 CD LYS A 27 11.473 -15.780 26.923 1.00 0.00 C ATOM 385 CE LYS A 27 12.315 -15.105 28.008 1.00 0.00 C ATOM 386 NZ LYS A 27 11.656 -15.479 29.291 1.00 0.00 N ATOM 0 H LYS A 27 10.766 -15.095 23.477 1.00 0.00 H new ATOM 0 HA LYS A 27 8.030 -14.290 24.137 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.846 -14.982 26.371 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.483 -16.117 25.198 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.600 -14.660 25.077 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.964 -13.738 26.425 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.639 -16.316 27.376 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.072 -16.516 26.387 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.348 -15.451 27.979 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.337 -14.023 27.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.176 -15.053 30.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.676 -15.131 29.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.656 -16.514 29.392 1.00 0.00 H new ATOM 400 N GLY A 28 8.188 -11.931 24.773 1.00 0.00 N ATOM 401 CA GLY A 28 8.284 -10.499 25.163 1.00 0.00 C ATOM 402 C GLY A 28 8.520 -9.635 23.923 1.00 0.00 C ATOM 403 O GLY A 28 8.503 -8.422 23.994 1.00 0.00 O ATOM 0 H GLY A 28 7.256 -12.246 24.503 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.368 -10.188 25.664 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.099 -10.361 25.873 1.00 0.00 H new ATOM 407 N GLU A 29 8.741 -10.239 22.787 1.00 0.00 N ATOM 408 CA GLU A 29 8.976 -9.426 21.560 1.00 0.00 C ATOM 409 C GLU A 29 7.679 -8.738 21.130 1.00 0.00 C ATOM 410 O GLU A 29 6.644 -9.363 21.009 1.00 0.00 O ATOM 411 CB GLU A 29 9.440 -10.418 20.494 1.00 0.00 C ATOM 412 CG GLU A 29 10.218 -9.665 19.412 1.00 0.00 C ATOM 413 CD GLU A 29 10.528 -10.607 18.247 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.188 -11.773 18.347 1.00 0.00 O ATOM 415 OE2 GLU A 29 11.100 -10.145 17.274 1.00 0.00 O ATOM 0 H GLU A 29 8.769 -11.250 22.656 1.00 0.00 H new ATOM 0 HA GLU A 29 9.715 -8.642 21.724 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.069 -11.186 20.944 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.582 -10.926 20.055 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.636 -8.814 19.059 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.144 -9.268 19.827 1.00 0.00 H new ATOM 422 N GLN A 30 7.727 -7.455 20.897 1.00 0.00 N ATOM 423 CA GLN A 30 6.496 -6.728 20.476 1.00 0.00 C ATOM 424 C GLN A 30 6.239 -6.955 18.986 1.00 0.00 C ATOM 425 O GLN A 30 7.149 -6.944 18.180 1.00 0.00 O ATOM 426 CB GLN A 30 6.792 -5.254 20.757 1.00 0.00 C ATOM 427 CG GLN A 30 6.919 -5.040 22.267 1.00 0.00 C ATOM 428 CD GLN A 30 7.195 -3.563 22.552 1.00 0.00 C ATOM 429 OE1 GLN A 30 7.499 -2.804 21.654 1.00 0.00 O ATOM 430 NE2 GLN A 30 7.102 -3.119 23.777 1.00 0.00 N ATOM 0 H GLN A 30 8.565 -6.879 20.980 1.00 0.00 H new ATOM 0 HA GLN A 30 5.607 -7.070 21.007 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.714 -4.955 20.257 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.995 -4.629 20.356 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.003 -5.353 22.768 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.726 -5.655 22.666 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.847 -3.755 24.532 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.285 -2.136 23.978 1.00 0.00 H new ATOM 439 N LEU A 31 5.008 -7.169 18.611 1.00 0.00 N ATOM 440 CA LEU A 31 4.699 -7.404 17.172 1.00 0.00 C ATOM 441 C LEU A 31 3.465 -6.603 16.752 1.00 0.00 C ATOM 442 O LEU A 31 2.633 -6.252 17.565 1.00 0.00 O ATOM 443 CB LEU A 31 4.422 -8.904 17.066 1.00 0.00 C ATOM 444 CG LEU A 31 5.492 -9.681 17.837 1.00 0.00 C ATOM 445 CD1 LEU A 31 5.080 -11.151 17.939 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.828 -9.575 17.099 1.00 0.00 C ATOM 0 H LEU A 31 4.204 -7.191 19.238 1.00 0.00 H new ATOM 0 HA LEU A 31 5.516 -7.090 16.522 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.434 -9.131 17.467 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.419 -9.210 16.020 1.00 0.00 H new ATOM 0 HG LEU A 31 5.596 -9.263 18.838 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.841 -11.705 18.488 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.128 -11.226 18.464 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.977 -11.570 16.938 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.591 -10.128 17.647 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.725 -9.994 16.098 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.121 -8.528 17.026 1.00 0.00 H new ATOM 458 N ARG A 32 3.339 -6.319 15.486 1.00 0.00 N ATOM 459 CA ARG A 32 2.157 -5.548 15.006 1.00 0.00 C ATOM 460 C ARG A 32 1.105 -6.505 14.440 1.00 0.00 C ATOM 461 O ARG A 32 1.406 -7.369 13.640 1.00 0.00 O ATOM 462 CB ARG A 32 2.701 -4.635 13.908 1.00 0.00 C ATOM 463 CG ARG A 32 1.537 -4.047 13.109 1.00 0.00 C ATOM 464 CD ARG A 32 2.082 -3.117 12.025 1.00 0.00 C ATOM 465 NE ARG A 32 2.964 -2.160 12.752 1.00 0.00 N ATOM 466 CZ ARG A 32 3.826 -1.436 12.093 1.00 0.00 C ATOM 467 NH1 ARG A 32 3.538 -0.204 11.779 1.00 0.00 N ATOM 468 NH2 ARG A 32 4.977 -1.946 11.748 1.00 0.00 N ATOM 0 H ARG A 32 4.004 -6.588 14.761 1.00 0.00 H new ATOM 0 HA ARG A 32 1.677 -4.981 15.803 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.295 -3.834 14.348 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.362 -5.197 13.248 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.952 -4.847 12.656 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.868 -3.498 13.771 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.639 -3.673 11.270 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.276 -2.597 11.508 1.00 0.00 H new ATOM 0 HE ARG A 32 2.893 -2.071 13.766 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.638 0.194 12.049 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.212 0.362 11.264 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.202 -2.910 11.994 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.652 -1.380 11.233 1.00 0.00 H new ATOM 482 N ILE A 33 -0.125 -6.361 14.848 1.00 0.00 N ATOM 483 CA ILE A 33 -1.190 -7.268 14.330 1.00 0.00 C ATOM 484 C ILE A 33 -1.576 -6.868 12.903 1.00 0.00 C ATOM 485 O ILE A 33 -2.022 -5.767 12.654 1.00 0.00 O ATOM 486 CB ILE A 33 -2.371 -7.077 15.284 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.896 -7.260 16.727 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.453 -8.113 14.969 1.00 0.00 C ATOM 489 CD1 ILE A 33 -3.082 -7.095 17.680 1.00 0.00 C ATOM 0 H ILE A 33 -0.439 -5.657 15.516 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.866 -8.308 14.289 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.780 -6.074 15.160 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.450 -8.247 16.852 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.123 -6.529 16.962 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.295 -7.978 15.648 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.792 -7.984 13.941 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.044 -9.116 15.093 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.744 -7.225 18.708 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.508 -6.099 17.562 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.840 -7.843 17.450 1.00 0.00 H new ATOM 501 N LEU A 34 -1.405 -7.760 11.964 1.00 0.00 N ATOM 502 CA LEU A 34 -1.759 -7.437 10.553 1.00 0.00 C ATOM 503 C LEU A 34 -3.232 -7.760 10.291 1.00 0.00 C ATOM 504 O LEU A 34 -3.905 -7.075 9.544 1.00 0.00 O ATOM 505 CB LEU A 34 -0.859 -8.333 9.702 1.00 0.00 C ATOM 506 CG LEU A 34 0.601 -7.919 9.891 1.00 0.00 C ATOM 507 CD1 LEU A 34 1.511 -8.914 9.168 1.00 0.00 C ATOM 508 CD2 LEU A 34 0.814 -6.520 9.311 1.00 0.00 C ATOM 0 H LEU A 34 -1.035 -8.699 12.114 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.617 -6.381 10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.992 -9.376 9.988 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.137 -8.253 8.651 1.00 0.00 H new ATOM 0 HG LEU A 34 0.841 -7.912 10.954 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.552 -8.619 9.302 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.360 -9.911 9.581 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.270 -8.921 8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.855 -6.225 9.446 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.573 -6.526 8.248 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.166 -5.810 9.825 1.00 0.00 H new ATOM 520 N GLU A 35 -3.739 -8.797 10.898 1.00 0.00 N ATOM 521 CA GLU A 35 -5.169 -9.161 10.681 1.00 0.00 C ATOM 522 C GLU A 35 -5.736 -9.853 11.924 1.00 0.00 C ATOM 523 O GLU A 35 -5.029 -10.119 12.875 1.00 0.00 O ATOM 524 CB GLU A 35 -5.155 -10.122 9.491 1.00 0.00 C ATOM 525 CG GLU A 35 -4.677 -9.380 8.242 1.00 0.00 C ATOM 526 CD GLU A 35 -5.031 -10.196 6.997 1.00 0.00 C ATOM 527 OE1 GLU A 35 -5.493 -11.314 7.158 1.00 0.00 O ATOM 528 OE2 GLU A 35 -4.834 -9.690 5.905 1.00 0.00 O ATOM 0 H GLU A 35 -3.227 -9.408 11.534 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.794 -8.287 10.494 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.498 -10.966 9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.153 -10.528 9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.143 -8.396 8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.600 -9.220 8.291 1.00 0.00 H new ATOM 535 N GLN A 36 -7.008 -10.144 11.923 1.00 0.00 N ATOM 536 CA GLN A 36 -7.621 -10.818 13.104 1.00 0.00 C ATOM 537 C GLN A 36 -8.814 -11.672 12.665 1.00 0.00 C ATOM 538 O GLN A 36 -9.923 -11.489 13.127 1.00 0.00 O ATOM 539 CB GLN A 36 -8.086 -9.679 14.013 1.00 0.00 C ATOM 540 CG GLN A 36 -6.869 -8.970 14.608 1.00 0.00 C ATOM 541 CD GLN A 36 -7.332 -7.954 15.655 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.417 -7.417 15.557 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.550 -7.666 16.659 1.00 0.00 N ATOM 0 H GLN A 36 -7.650 -9.944 11.156 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.921 -11.484 13.609 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.691 -8.971 13.446 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.717 -10.071 14.810 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.198 -9.698 15.064 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.307 -8.467 13.821 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.639 -8.117 16.741 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.850 -6.990 17.361 1.00 0.00 H new ATOM 552 N SER A 37 -8.595 -12.604 11.779 1.00 0.00 N ATOM 553 CA SER A 37 -9.718 -13.467 11.313 1.00 0.00 C ATOM 554 C SER A 37 -9.365 -14.943 11.509 1.00 0.00 C ATOM 555 O SER A 37 -8.307 -15.396 11.121 1.00 0.00 O ATOM 556 CB SER A 37 -9.876 -13.146 9.827 1.00 0.00 C ATOM 557 OG SER A 37 -11.054 -13.765 9.331 1.00 0.00 O ATOM 0 H SER A 37 -7.688 -12.806 11.358 1.00 0.00 H new ATOM 0 HA SER A 37 -10.638 -13.283 11.868 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.930 -12.067 9.681 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.006 -13.499 9.273 1.00 0.00 H new ATOM 0 HG SER A 37 -11.156 -13.558 8.379 1.00 0.00 H new ATOM 563 N GLY A 38 -10.245 -15.698 12.110 1.00 0.00 N ATOM 564 CA GLY A 38 -9.958 -17.143 12.331 1.00 0.00 C ATOM 565 C GLY A 38 -9.191 -17.314 13.643 1.00 0.00 C ATOM 566 O GLY A 38 -9.046 -16.387 14.415 1.00 0.00 O ATOM 0 H GLY A 38 -11.149 -15.376 12.457 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.889 -17.709 12.365 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.374 -17.540 11.501 1.00 0.00 H new ATOM 570 N GLU A 39 -8.697 -18.494 13.903 1.00 0.00 N ATOM 571 CA GLU A 39 -7.939 -18.721 15.165 1.00 0.00 C ATOM 572 C GLU A 39 -6.540 -18.109 15.058 1.00 0.00 C ATOM 573 O GLU A 39 -5.992 -17.617 16.025 1.00 0.00 O ATOM 574 CB GLU A 39 -7.852 -20.242 15.305 1.00 0.00 C ATOM 575 CG GLU A 39 -9.261 -20.837 15.268 1.00 0.00 C ATOM 576 CD GLU A 39 -9.173 -22.363 15.355 1.00 0.00 C ATOM 577 OE1 GLU A 39 -8.092 -22.886 15.140 1.00 0.00 O ATOM 578 OE2 GLU A 39 -10.187 -22.979 15.633 1.00 0.00 O ATOM 0 H GLU A 39 -8.786 -19.309 13.297 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.421 -18.260 16.027 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.248 -20.659 14.499 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.359 -20.505 16.241 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.853 -20.448 16.096 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.767 -20.543 14.349 1.00 0.00 H new ATOM 585 N TRP A 40 -5.959 -18.134 13.890 1.00 0.00 N ATOM 586 CA TRP A 40 -4.595 -17.553 13.723 1.00 0.00 C ATOM 587 C TRP A 40 -4.692 -16.132 13.160 1.00 0.00 C ATOM 588 O TRP A 40 -5.568 -15.824 12.377 1.00 0.00 O ATOM 589 CB TRP A 40 -3.894 -18.476 12.725 1.00 0.00 C ATOM 590 CG TRP A 40 -3.661 -19.810 13.357 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.513 -20.859 13.293 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.519 -20.256 14.142 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.966 -21.921 13.991 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.738 -21.599 14.533 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.327 -19.632 14.550 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.805 -22.297 15.301 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.387 -20.332 15.323 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.625 -21.661 15.698 1.00 0.00 C ATOM 0 H TRP A 40 -6.369 -18.531 13.044 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.055 -17.485 14.667 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.503 -18.588 11.828 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.945 -18.039 12.414 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.464 -20.866 12.781 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.415 -22.831 14.093 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.133 -18.608 14.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.993 -23.321 15.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.525 -19.843 15.631 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.102 -22.193 16.293 1.00 0.00 H new ATOM 609 N TRP A 41 -3.796 -15.267 13.549 1.00 0.00 N ATOM 610 CA TRP A 41 -3.837 -13.868 13.031 1.00 0.00 C ATOM 611 C TRP A 41 -2.498 -13.505 12.384 1.00 0.00 C ATOM 612 O TRP A 41 -1.470 -14.069 12.702 1.00 0.00 O ATOM 613 CB TRP A 41 -4.083 -12.993 14.261 1.00 0.00 C ATOM 614 CG TRP A 41 -5.480 -13.196 14.755 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.500 -13.699 14.023 1.00 0.00 C ATOM 616 CD2 TRP A 41 -6.025 -12.906 16.074 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.636 -13.742 14.811 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.395 -13.263 16.083 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.471 -12.375 17.251 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -8.185 -13.099 17.221 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -6.263 -12.208 18.398 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.617 -12.570 18.383 1.00 0.00 C ATOM 0 H TRP A 41 -3.038 -15.467 14.202 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.609 -13.735 12.273 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.370 -13.244 15.046 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.925 -11.944 14.010 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.438 -14.015 12.992 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.541 -14.086 14.491 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.429 -12.093 17.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.228 -13.379 17.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.827 -11.798 19.297 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -8.221 -12.440 19.269 1.00 0.00 H new ATOM 633 N LYS A 42 -2.501 -12.560 11.485 1.00 0.00 N ATOM 634 CA LYS A 42 -1.226 -12.155 10.827 1.00 0.00 C ATOM 635 C LYS A 42 -0.579 -11.014 11.616 1.00 0.00 C ATOM 636 O LYS A 42 -1.258 -10.185 12.187 1.00 0.00 O ATOM 637 CB LYS A 42 -1.632 -11.682 9.431 1.00 0.00 C ATOM 638 CG LYS A 42 -2.173 -12.867 8.628 1.00 0.00 C ATOM 639 CD LYS A 42 -2.376 -12.446 7.172 1.00 0.00 C ATOM 640 CE LYS A 42 -2.976 -13.611 6.382 1.00 0.00 C ATOM 641 NZ LYS A 42 -4.209 -13.054 5.756 1.00 0.00 N ATOM 0 H LYS A 42 -3.330 -12.051 11.178 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.501 -12.968 10.782 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.391 -10.903 9.506 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.775 -11.244 8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.477 -13.704 8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.116 -13.208 9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.036 -11.580 7.121 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.424 -12.147 6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.280 -13.977 5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.209 -14.452 7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.706 -13.807 5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.833 -12.674 6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.950 -12.293 5.097 1.00 0.00 H new ATOM 655 N ALA A 43 0.726 -10.966 11.658 1.00 0.00 N ATOM 656 CA ALA A 43 1.401 -9.875 12.420 1.00 0.00 C ATOM 657 C ALA A 43 2.684 -9.435 11.710 1.00 0.00 C ATOM 658 O ALA A 43 3.178 -10.103 10.824 1.00 0.00 O ATOM 659 CB ALA A 43 1.729 -10.488 13.781 1.00 0.00 C ATOM 0 H ALA A 43 1.350 -11.630 11.201 1.00 0.00 H new ATOM 0 HA ALA A 43 0.772 -8.989 12.508 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.229 -9.746 14.403 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.808 -10.808 14.268 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.384 -11.348 13.644 1.00 0.00 H new ATOM 665 N GLN A 44 3.226 -8.313 12.099 1.00 0.00 N ATOM 666 CA GLN A 44 4.477 -7.822 11.456 1.00 0.00 C ATOM 667 C GLN A 44 5.464 -7.348 12.527 1.00 0.00 C ATOM 668 O GLN A 44 5.077 -6.776 13.528 1.00 0.00 O ATOM 669 CB GLN A 44 4.035 -6.652 10.574 1.00 0.00 C ATOM 670 CG GLN A 44 5.231 -6.135 9.772 1.00 0.00 C ATOM 671 CD GLN A 44 4.804 -4.923 8.942 1.00 0.00 C ATOM 672 OE1 GLN A 44 3.628 -4.656 8.795 1.00 0.00 O ATOM 673 NE2 GLN A 44 5.717 -4.173 8.388 1.00 0.00 N ATOM 0 H GLN A 44 2.855 -7.714 12.836 1.00 0.00 H new ATOM 0 HA GLN A 44 4.981 -8.597 10.879 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.242 -6.972 9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.625 -5.853 11.191 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.042 -5.860 10.446 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.611 -6.920 9.119 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.705 -4.397 8.511 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.443 -3.363 7.832 1.00 0.00 H new ATOM 682 N SER A 45 6.732 -7.582 12.330 1.00 0.00 N ATOM 683 CA SER A 45 7.733 -7.143 13.343 1.00 0.00 C ATOM 684 C SER A 45 7.974 -5.637 13.227 1.00 0.00 C ATOM 685 O SER A 45 8.042 -5.090 12.144 1.00 0.00 O ATOM 686 CB SER A 45 9.007 -7.919 13.007 1.00 0.00 C ATOM 687 OG SER A 45 8.742 -9.313 13.074 1.00 0.00 O ATOM 0 H SER A 45 7.118 -8.057 11.514 1.00 0.00 H new ATOM 0 HA SER A 45 7.399 -7.334 14.363 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.356 -7.652 12.010 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.802 -7.655 13.705 1.00 0.00 H new ATOM 0 HG SER A 45 9.557 -9.812 12.857 1.00 0.00 H new ATOM 693 N LEU A 46 8.105 -4.962 14.335 1.00 0.00 N ATOM 694 CA LEU A 46 8.343 -3.491 14.289 1.00 0.00 C ATOM 695 C LEU A 46 9.844 -3.207 14.203 1.00 0.00 C ATOM 696 O LEU A 46 10.263 -2.138 13.809 1.00 0.00 O ATOM 697 CB LEU A 46 7.768 -2.954 15.599 1.00 0.00 C ATOM 698 CG LEU A 46 7.845 -1.426 15.602 1.00 0.00 C ATOM 699 CD1 LEU A 46 6.685 -0.856 14.783 1.00 0.00 C ATOM 700 CD2 LEU A 46 7.753 -0.914 17.041 1.00 0.00 C ATOM 0 H LEU A 46 8.058 -5.365 15.271 1.00 0.00 H new ATOM 0 HA LEU A 46 7.879 -3.022 13.421 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.733 -3.277 15.714 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.324 -3.358 16.445 1.00 0.00 H new ATOM 0 HG LEU A 46 8.791 -1.108 15.163 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.739 0.233 14.785 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.749 -1.221 13.758 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.739 -1.173 15.222 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.808 0.175 17.044 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.807 -1.231 17.480 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.579 -1.320 17.625 1.00 0.00 H new ATOM 712 N THR A 47 10.655 -4.160 14.573 1.00 0.00 N ATOM 713 CA THR A 47 12.130 -3.949 14.517 1.00 0.00 C ATOM 714 C THR A 47 12.725 -4.661 13.300 1.00 0.00 C ATOM 715 O THR A 47 13.736 -4.253 12.764 1.00 0.00 O ATOM 716 CB THR A 47 12.666 -4.560 15.812 1.00 0.00 C ATOM 717 OG1 THR A 47 12.452 -5.965 15.794 1.00 0.00 O ATOM 718 CG2 THR A 47 11.938 -3.945 17.007 1.00 0.00 C ATOM 0 H THR A 47 10.360 -5.076 14.912 1.00 0.00 H new ATOM 0 HA THR A 47 12.392 -2.895 14.423 1.00 0.00 H new ATOM 0 HB THR A 47 13.733 -4.356 15.897 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.796 -6.359 16.623 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.321 -4.381 17.930 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.104 -2.868 17.019 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.870 -4.147 16.926 1.00 0.00 H new ATOM 726 N THR A 48 12.108 -5.723 12.856 1.00 0.00 N ATOM 727 CA THR A 48 12.650 -6.453 11.673 1.00 0.00 C ATOM 728 C THR A 48 11.936 -5.995 10.400 1.00 0.00 C ATOM 729 O THR A 48 12.438 -6.154 9.304 1.00 0.00 O ATOM 730 CB THR A 48 12.363 -7.930 11.949 1.00 0.00 C ATOM 731 OG1 THR A 48 12.442 -8.172 13.346 1.00 0.00 O ATOM 732 CG2 THR A 48 13.391 -8.795 11.218 1.00 0.00 C ATOM 0 H THR A 48 11.257 -6.115 13.258 1.00 0.00 H new ATOM 0 HA THR A 48 13.714 -6.268 11.525 1.00 0.00 H new ATOM 0 HB THR A 48 11.364 -8.181 11.594 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.257 -9.117 13.525 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.187 -9.847 11.415 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.328 -8.607 10.146 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.392 -8.548 11.572 1.00 0.00 H new ATOM 740 N GLY A 49 10.768 -5.429 10.534 1.00 0.00 N ATOM 741 CA GLY A 49 10.024 -4.966 9.330 1.00 0.00 C ATOM 742 C GLY A 49 9.613 -6.181 8.496 1.00 0.00 C ATOM 743 O GLY A 49 9.795 -6.213 7.296 1.00 0.00 O ATOM 0 H GLY A 49 10.298 -5.268 11.425 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.142 -4.399 9.628 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.648 -4.297 8.737 1.00 0.00 H new ATOM 747 N GLN A 50 9.059 -7.181 9.125 1.00 0.00 N ATOM 748 CA GLN A 50 8.637 -8.395 8.371 1.00 0.00 C ATOM 749 C GLN A 50 7.229 -8.817 8.795 1.00 0.00 C ATOM 750 O GLN A 50 6.763 -8.473 9.863 1.00 0.00 O ATOM 751 CB GLN A 50 9.655 -9.471 8.749 1.00 0.00 C ATOM 752 CG GLN A 50 10.871 -9.364 7.828 1.00 0.00 C ATOM 753 CD GLN A 50 11.923 -10.391 8.248 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.847 -10.951 9.324 1.00 0.00 O ATOM 755 NE2 GLN A 50 12.909 -10.664 7.439 1.00 0.00 N ATOM 0 H GLN A 50 8.880 -7.210 10.129 1.00 0.00 H new ATOM 0 HA GLN A 50 8.607 -8.223 7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.960 -9.350 9.788 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.205 -10.460 8.662 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.573 -9.536 6.794 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.290 -8.359 7.877 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.973 -10.194 6.536 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.616 -11.347 7.709 1.00 0.00 H new ATOM 764 N GLU A 51 6.550 -9.564 7.969 1.00 0.00 N ATOM 765 CA GLU A 51 5.172 -10.010 8.325 1.00 0.00 C ATOM 766 C GLU A 51 5.109 -11.539 8.368 1.00 0.00 C ATOM 767 O GLU A 51 5.744 -12.217 7.586 1.00 0.00 O ATOM 768 CB GLU A 51 4.278 -9.467 7.210 1.00 0.00 C ATOM 769 CG GLU A 51 4.435 -7.947 7.124 1.00 0.00 C ATOM 770 CD GLU A 51 3.568 -7.409 5.983 1.00 0.00 C ATOM 771 OE1 GLU A 51 3.053 -8.215 5.226 1.00 0.00 O ATOM 772 OE2 GLU A 51 3.433 -6.200 5.887 1.00 0.00 O ATOM 0 H GLU A 51 6.889 -9.885 7.062 1.00 0.00 H new ATOM 0 HA GLU A 51 4.861 -9.650 9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.547 -9.925 6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.237 -9.725 7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.141 -7.486 8.067 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.480 -7.687 6.955 1.00 0.00 H new ATOM 779 N GLY A 52 4.349 -12.086 9.277 1.00 0.00 N ATOM 780 CA GLY A 52 4.251 -13.570 9.368 1.00 0.00 C ATOM 781 C GLY A 52 2.917 -13.959 10.006 1.00 0.00 C ATOM 782 O GLY A 52 1.938 -13.244 9.910 1.00 0.00 O ATOM 0 H GLY A 52 3.793 -11.571 9.959 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.333 -14.011 8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.077 -13.963 9.960 1.00 0.00 H new ATOM 786 N PHE A 53 2.873 -15.086 10.661 1.00 0.00 N ATOM 787 CA PHE A 53 1.604 -15.525 11.312 1.00 0.00 C ATOM 788 C PHE A 53 1.828 -15.733 12.811 1.00 0.00 C ATOM 789 O PHE A 53 2.796 -16.337 13.227 1.00 0.00 O ATOM 790 CB PHE A 53 1.248 -16.848 10.635 1.00 0.00 C ATOM 791 CG PHE A 53 0.923 -16.602 9.181 1.00 0.00 C ATOM 792 CD1 PHE A 53 -0.303 -16.026 8.825 1.00 0.00 C ATOM 793 CD2 PHE A 53 1.848 -16.950 8.189 1.00 0.00 C ATOM 794 CE1 PHE A 53 -0.602 -15.799 7.476 1.00 0.00 C ATOM 795 CE2 PHE A 53 1.547 -16.723 6.841 1.00 0.00 C ATOM 796 CZ PHE A 53 0.321 -16.148 6.484 1.00 0.00 C ATOM 0 H PHE A 53 3.661 -15.723 10.774 1.00 0.00 H new ATOM 0 HA PHE A 53 0.808 -14.788 11.207 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.081 -17.546 10.719 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.396 -17.307 11.136 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.017 -15.757 9.590 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.794 -17.394 8.464 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.547 -15.354 7.201 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.261 -16.991 6.076 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.088 -15.974 5.444 1.00 0.00 H new ATOM 806 N ILE A 54 0.940 -15.238 13.627 1.00 0.00 N ATOM 807 CA ILE A 54 1.102 -15.409 15.099 1.00 0.00 C ATOM 808 C ILE A 54 -0.184 -15.965 15.710 1.00 0.00 C ATOM 809 O ILE A 54 -1.272 -15.579 15.328 1.00 0.00 O ATOM 810 CB ILE A 54 1.386 -14.006 15.634 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.259 -13.061 15.213 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.715 -13.501 15.066 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.141 -12.182 16.399 1.00 0.00 C ATOM 0 H ILE A 54 0.109 -14.722 13.339 1.00 0.00 H new ATOM 0 HA ILE A 54 1.901 -16.108 15.347 1.00 0.00 H new ATOM 0 HB ILE A 54 1.445 -14.038 16.722 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.584 -12.439 14.379 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.600 -13.635 14.866 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.917 -12.500 15.448 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.518 -14.173 15.367 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.657 -13.469 13.978 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.944 -11.509 16.099 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.484 -12.812 17.220 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.719 -11.598 16.725 1.00 0.00 H new ATOM 825 N PRO A 55 -0.015 -16.856 16.647 1.00 0.00 N ATOM 826 CA PRO A 55 -1.207 -17.447 17.300 1.00 0.00 C ATOM 827 C PRO A 55 -1.857 -16.424 18.234 1.00 0.00 C ATOM 828 O PRO A 55 -1.225 -15.484 18.676 1.00 0.00 O ATOM 829 CB PRO A 55 -0.657 -18.632 18.083 1.00 0.00 C ATOM 830 CG PRO A 55 0.774 -18.296 18.337 1.00 0.00 C ATOM 831 CD PRO A 55 1.228 -17.399 17.213 1.00 0.00 C ATOM 0 HA PRO A 55 -1.977 -17.748 16.589 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.201 -18.775 19.017 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.750 -19.558 17.515 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.887 -17.795 19.298 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.381 -19.201 18.376 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.878 -16.604 17.578 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.794 -17.955 16.466 1.00 0.00 H new ATOM 839 N PHE A 56 -3.113 -16.592 18.527 1.00 0.00 N ATOM 840 CA PHE A 56 -3.808 -15.622 19.421 1.00 0.00 C ATOM 841 C PHE A 56 -3.466 -15.888 20.893 1.00 0.00 C ATOM 842 O PHE A 56 -3.877 -15.154 21.770 1.00 0.00 O ATOM 843 CB PHE A 56 -5.298 -15.857 19.172 1.00 0.00 C ATOM 844 CG PHE A 56 -5.718 -17.156 19.816 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.582 -18.361 19.117 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.241 -17.156 21.115 1.00 0.00 C ATOM 847 CE1 PHE A 56 -5.969 -19.565 19.716 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.628 -18.361 21.714 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.491 -19.566 21.014 1.00 0.00 C ATOM 0 H PHE A 56 -3.692 -17.360 18.187 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.508 -14.595 19.214 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.880 -15.031 19.581 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.498 -15.889 18.101 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.178 -18.362 18.115 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.346 -16.227 21.655 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.865 -20.494 19.176 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.032 -18.361 22.716 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.788 -20.496 21.476 1.00 0.00 H new ATOM 859 N ASN A 57 -2.736 -16.933 21.180 1.00 0.00 N ATOM 860 CA ASN A 57 -2.401 -17.229 22.604 1.00 0.00 C ATOM 861 C ASN A 57 -0.999 -16.722 22.961 1.00 0.00 C ATOM 862 O ASN A 57 -0.713 -16.431 24.106 1.00 0.00 O ATOM 863 CB ASN A 57 -2.461 -18.752 22.711 1.00 0.00 C ATOM 864 CG ASN A 57 -2.396 -19.165 24.183 1.00 0.00 C ATOM 865 OD1 ASN A 57 -2.360 -18.325 25.060 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.381 -20.433 24.493 1.00 0.00 N ATOM 0 H ASN A 57 -2.360 -17.590 20.496 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.088 -16.735 23.291 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.381 -19.123 22.259 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.633 -19.198 22.160 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.339 -20.718 25.471 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.411 -21.138 23.757 1.00 0.00 H new ATOM 873 N PHE A 58 -0.118 -16.619 22.002 1.00 0.00 N ATOM 874 CA PHE A 58 1.261 -16.135 22.318 1.00 0.00 C ATOM 875 C PHE A 58 1.298 -14.605 22.346 1.00 0.00 C ATOM 876 O PHE A 58 2.279 -14.009 22.740 1.00 0.00 O ATOM 877 CB PHE A 58 2.151 -16.667 21.194 1.00 0.00 C ATOM 878 CG PHE A 58 2.329 -18.160 21.346 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.228 -19.018 21.231 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.601 -18.686 21.600 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.400 -20.401 21.370 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.773 -20.069 21.740 1.00 0.00 C ATOM 883 CZ PHE A 58 2.672 -20.925 21.625 1.00 0.00 C ATOM 0 H PHE A 58 -0.289 -16.846 21.022 1.00 0.00 H new ATOM 0 HA PHE A 58 1.594 -16.481 23.297 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.704 -16.441 20.226 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.121 -16.171 21.220 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.246 -18.613 21.035 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.451 -18.025 21.688 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.551 -21.063 21.280 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.755 -20.474 21.937 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.804 -21.991 21.733 1.00 0.00 H new ATOM 893 N VAL A 59 0.241 -13.964 21.928 1.00 0.00 N ATOM 894 CA VAL A 59 0.230 -12.472 21.934 1.00 0.00 C ATOM 895 C VAL A 59 -1.082 -11.951 22.525 1.00 0.00 C ATOM 896 O VAL A 59 -2.131 -12.535 22.344 1.00 0.00 O ATOM 897 CB VAL A 59 0.352 -12.067 20.464 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.718 -12.497 19.927 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.752 -12.747 19.654 1.00 0.00 C ATOM 0 H VAL A 59 -0.612 -14.405 21.584 1.00 0.00 H new ATOM 0 HA VAL A 59 1.036 -12.059 22.540 1.00 0.00 H new ATOM 0 HB VAL A 59 0.252 -10.985 20.377 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.804 -12.208 18.880 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.505 -12.011 20.504 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.819 -13.579 20.015 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.665 -12.458 18.607 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.654 -13.829 19.742 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.725 -12.439 20.036 1.00 0.00 H new ATOM 909 N ALA A 60 -1.028 -10.854 23.231 1.00 0.00 N ATOM 910 CA ALA A 60 -2.271 -10.292 23.833 1.00 0.00 C ATOM 911 C ALA A 60 -2.404 -8.809 23.478 1.00 0.00 C ATOM 912 O ALA A 60 -1.439 -8.153 23.137 1.00 0.00 O ATOM 913 CB ALA A 60 -2.094 -10.467 25.341 1.00 0.00 C ATOM 0 H ALA A 60 -0.177 -10.323 23.417 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.169 -10.789 23.467 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.970 -10.076 25.858 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.978 -11.526 25.573 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.207 -9.924 25.669 1.00 0.00 H new ATOM 919 N LYS A 61 -3.592 -8.273 23.556 1.00 0.00 N ATOM 920 CA LYS A 61 -3.783 -6.833 23.222 1.00 0.00 C ATOM 921 C LYS A 61 -3.275 -5.953 24.368 1.00 0.00 C ATOM 922 O LYS A 61 -3.763 -6.021 25.478 1.00 0.00 O ATOM 923 CB LYS A 61 -5.292 -6.663 23.046 1.00 0.00 C ATOM 924 CG LYS A 61 -5.740 -7.379 21.769 1.00 0.00 C ATOM 925 CD LYS A 61 -7.209 -7.056 21.491 1.00 0.00 C ATOM 926 CE LYS A 61 -7.693 -7.870 20.290 1.00 0.00 C ATOM 927 NZ LYS A 61 -9.026 -7.296 19.950 1.00 0.00 N ATOM 0 H LYS A 61 -4.438 -8.770 23.836 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.233 -6.541 22.328 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.818 -7.072 23.909 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.546 -5.604 22.990 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.122 -7.065 20.928 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.608 -8.455 21.878 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.815 -7.286 22.367 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.327 -5.991 21.293 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.001 -7.787 19.452 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.770 -8.929 20.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.424 -7.803 19.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.665 -7.396 20.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.920 -6.289 19.714 1.00 0.00 H new ATOM 941 N ALA A 62 -2.298 -5.129 24.107 1.00 0.00 N ATOM 942 CA ALA A 62 -1.760 -4.248 25.182 1.00 0.00 C ATOM 943 C ALA A 62 -2.903 -3.501 25.875 1.00 0.00 C ATOM 944 O ALA A 62 -3.876 -3.122 25.254 1.00 0.00 O ATOM 945 CB ALA A 62 -0.835 -3.266 24.464 1.00 0.00 C ATOM 0 H ALA A 62 -1.849 -5.028 23.197 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.235 -4.811 25.954 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.398 -2.581 25.190 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.040 -3.816 23.960 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.406 -2.699 23.729 1.00 0.00 H new ATOM 951 N ASN A 63 -2.793 -3.286 27.157 1.00 0.00 N ATOM 952 CA ASN A 63 -3.873 -2.565 27.889 1.00 0.00 C ATOM 953 C ASN A 63 -3.361 -1.212 28.390 1.00 0.00 C ATOM 954 O ASN A 63 -2.615 -0.577 27.662 1.00 0.00 O ATOM 955 CB ASN A 63 -4.228 -3.473 29.066 1.00 0.00 C ATOM 956 CG ASN A 63 -4.594 -4.865 28.544 1.00 0.00 C ATOM 957 OD1 ASN A 63 -3.926 -5.834 28.848 1.00 0.00 O ATOM 958 ND2 ASN A 63 -5.632 -5.005 27.767 1.00 0.00 N ATOM 959 OXT ASN A 63 -3.723 -0.835 29.492 1.00 0.00 O ATOM 0 H ASN A 63 -2.001 -3.579 27.730 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.737 -2.362 27.256 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.385 -3.541 29.754 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.063 -3.051 29.625 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.884 -5.928 27.414 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.192 -4.191 27.512 1.00 0.00 H new TER 966 ASN A 63