USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 13 GLN : amide:sc= 1.11 K(o=1.9,f=-3.3!) USER MOD Set 1.2: A 36 ASN : amide:sc= 0.803 K(o=1.9,f=-3.5) USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0068) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.0938 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.179 K(o=-0.18,f=-4.8) USER MOD Single : A 4 TYR OH : rot -179:sc= 1.28 USER MOD Single : A 19 TYR OH : rot 30:sc= 0.265 USER MOD Single : A 22 GLN :FLIP amide:sc=-0.00326 F(o=-0.68,f=-0.0033) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.875 K(o=0.87,f=-3.7!) USER MOD Single : A 54 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.18) USER MOD Single : A 55 SER OG : rot 82:sc= 1.26 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.812 K(o=0.81,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0841 USER MOD Single : A 67 SER OG : rot -150:sc= 0.144 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=-1.38e-05 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -70:sc= 0.43 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0221 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.744 K(o=0.74,f=-2.3!) USER MOD Single : A 84 HIS : no HE2:sc= 1.3 K(o=1.3,f=-7.9!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.018 -0.131 -0.344 1.00 0.00 N ATOM 2 CA MET A 1 1.043 -0.013 -1.379 1.00 0.00 C ATOM 3 C MET A 1 1.763 -1.357 -1.560 1.00 0.00 C ATOM 4 O MET A 1 1.546 -2.302 -0.797 1.00 0.00 O ATOM 5 CB MET A 1 2.038 1.132 -1.071 1.00 0.00 C ATOM 6 CG MET A 1 1.420 2.519 -1.299 1.00 0.00 C ATOM 7 SD MET A 1 2.620 3.879 -1.267 1.00 0.00 S ATOM 8 CE MET A 1 1.491 5.281 -1.493 1.00 0.00 C ATOM 0 H1 MET A 1 -0.921 0.207 -0.733 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.115 -1.126 -0.058 1.00 0.00 H new ATOM 0 H3 MET A 1 0.239 0.443 0.484 1.00 0.00 H new ATOM 0 HA MET A 1 0.560 0.248 -2.321 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.372 1.051 -0.037 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.921 1.022 -1.701 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.908 2.523 -2.261 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.664 2.698 -0.535 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.066 6.205 -1.552 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.924 5.147 -2.414 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.804 5.334 -0.649 1.00 0.00 H new ATOM 20 N LEU A 2 2.614 -1.459 -2.586 1.00 0.00 N ATOM 21 CA LEU A 2 3.359 -2.660 -2.957 1.00 0.00 C ATOM 22 C LEU A 2 4.799 -2.258 -3.285 1.00 0.00 C ATOM 23 O LEU A 2 5.132 -1.068 -3.286 1.00 0.00 O ATOM 24 CB LEU A 2 2.673 -3.345 -4.162 1.00 0.00 C ATOM 25 CG LEU A 2 2.210 -4.784 -3.872 1.00 0.00 C ATOM 26 CD1 LEU A 2 1.448 -5.315 -5.092 1.00 0.00 C ATOM 27 CD2 LEU A 2 3.376 -5.728 -3.547 1.00 0.00 C ATOM 0 H LEU A 2 2.809 -0.672 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 2 3.373 -3.374 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.812 -2.750 -4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.365 -3.358 -5.004 1.00 0.00 H new ATOM 0 HG LEU A 2 1.568 -4.754 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 2 1.115 -6.335 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.582 -4.681 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.104 -5.307 -5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.990 -6.729 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.063 -5.763 -4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.904 -5.364 -2.666 1.00 0.00 H new ATOM 39 N GLN A 3 5.651 -3.243 -3.573 1.00 0.00 N ATOM 40 CA GLN A 3 7.057 -3.048 -3.881 1.00 0.00 C ATOM 41 C GLN A 3 7.481 -4.146 -4.862 1.00 0.00 C ATOM 42 O GLN A 3 6.981 -5.273 -4.802 1.00 0.00 O ATOM 43 CB GLN A 3 7.827 -3.107 -2.550 1.00 0.00 C ATOM 44 CG GLN A 3 9.359 -3.029 -2.630 1.00 0.00 C ATOM 45 CD GLN A 3 9.975 -3.402 -1.282 1.00 0.00 C ATOM 46 OE1 GLN A 3 9.689 -4.459 -0.728 1.00 0.00 O ATOM 47 NE2 GLN A 3 10.810 -2.557 -0.707 1.00 0.00 N ATOM 0 H GLN A 3 5.368 -4.223 -3.597 1.00 0.00 H new ATOM 0 HA GLN A 3 7.263 -2.087 -4.353 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.478 -2.289 -1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.560 -4.035 -2.045 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.725 -3.703 -3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.665 -2.022 -2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.046 -1.679 -1.170 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.219 -2.782 0.200 1.00 0.00 H new ATOM 56 N TYR A 4 8.424 -3.835 -5.751 1.00 0.00 N ATOM 57 CA TYR A 4 9.085 -4.822 -6.593 1.00 0.00 C ATOM 58 C TYR A 4 10.561 -4.484 -6.754 1.00 0.00 C ATOM 59 O TYR A 4 11.009 -3.384 -6.414 1.00 0.00 O ATOM 60 CB TYR A 4 8.363 -5.002 -7.945 1.00 0.00 C ATOM 61 CG TYR A 4 8.119 -3.797 -8.844 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.141 -2.879 -9.172 1.00 0.00 C ATOM 63 CD2 TYR A 4 6.867 -3.690 -9.479 1.00 0.00 C ATOM 64 CE1 TYR A 4 8.912 -1.867 -10.120 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.638 -2.694 -10.439 1.00 0.00 C ATOM 66 CZ TYR A 4 7.660 -1.779 -10.764 1.00 0.00 C ATOM 67 OH TYR A 4 7.461 -0.832 -11.715 1.00 0.00 O ATOM 0 H TYR A 4 8.751 -2.881 -5.906 1.00 0.00 H new ATOM 0 HA TYR A 4 9.026 -5.790 -6.094 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.934 -5.728 -8.524 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.393 -5.453 -7.737 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.105 -2.955 -8.691 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.077 -4.381 -9.225 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.693 -1.159 -10.355 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.678 -2.628 -10.930 1.00 0.00 H new ATOM 0 HH TYR A 4 6.542 -0.894 -12.051 1.00 0.00 H new ATOM 77 N ARG A 5 11.300 -5.423 -7.339 1.00 0.00 N ATOM 78 CA ARG A 5 12.654 -5.243 -7.832 1.00 0.00 C ATOM 79 C ARG A 5 12.650 -5.796 -9.250 1.00 0.00 C ATOM 80 O ARG A 5 12.020 -6.823 -9.495 1.00 0.00 O ATOM 81 CB ARG A 5 13.619 -5.998 -6.910 1.00 0.00 C ATOM 82 CG ARG A 5 15.099 -5.708 -7.199 1.00 0.00 C ATOM 83 CD ARG A 5 16.001 -6.656 -6.399 1.00 0.00 C ATOM 84 NE ARG A 5 15.848 -8.053 -6.848 1.00 0.00 N ATOM 85 CZ ARG A 5 16.810 -8.903 -7.223 1.00 0.00 C ATOM 86 NH1 ARG A 5 18.090 -8.536 -7.283 1.00 0.00 N ATOM 87 NH2 ARG A 5 16.444 -10.138 -7.552 1.00 0.00 N ATOM 0 H ARG A 5 10.952 -6.370 -7.487 1.00 0.00 H new ATOM 0 HA ARG A 5 12.979 -4.203 -7.842 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.401 -5.734 -5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.441 -7.069 -7.010 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.296 -5.823 -8.265 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.330 -4.674 -6.942 1.00 0.00 H new ATOM 0 HD2 ARG A 5 17.041 -6.349 -6.508 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.757 -6.584 -5.339 1.00 0.00 H new ATOM 0 HE ARG A 5 14.894 -8.414 -6.876 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.359 -7.583 -7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.800 -9.208 -7.573 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.461 -10.406 -7.513 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.147 -10.818 -7.844 1.00 0.00 H new ATOM 101 N ILE A 6 13.306 -5.130 -10.192 1.00 0.00 N ATOM 102 CA ILE A 6 13.311 -5.502 -11.600 1.00 0.00 C ATOM 103 C ILE A 6 14.766 -5.461 -12.044 1.00 0.00 C ATOM 104 O ILE A 6 15.516 -4.571 -11.637 1.00 0.00 O ATOM 105 CB ILE A 6 12.362 -4.579 -12.411 1.00 0.00 C ATOM 106 CG1 ILE A 6 10.916 -4.749 -11.885 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.434 -4.879 -13.919 1.00 0.00 C ATOM 108 CD1 ILE A 6 9.820 -3.993 -12.639 1.00 0.00 C ATOM 0 H ILE A 6 13.861 -4.298 -9.993 1.00 0.00 H new ATOM 0 HA ILE A 6 12.921 -6.505 -11.775 1.00 0.00 H new ATOM 0 HB ILE A 6 12.679 -3.545 -12.276 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.670 -5.811 -11.901 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.893 -4.432 -10.842 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.757 -4.214 -14.455 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.453 -4.722 -14.273 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.143 -5.914 -14.098 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.854 -4.193 -12.175 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.025 -2.923 -12.603 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.799 -4.323 -13.678 1.00 0.00 H new ATOM 120 N ILE A 7 15.166 -6.426 -12.867 1.00 0.00 N ATOM 121 CA ILE A 7 16.533 -6.625 -13.318 1.00 0.00 C ATOM 122 C ILE A 7 16.461 -6.638 -14.839 1.00 0.00 C ATOM 123 O ILE A 7 15.573 -7.280 -15.401 1.00 0.00 O ATOM 124 CB ILE A 7 17.113 -7.944 -12.743 1.00 0.00 C ATOM 125 CG1 ILE A 7 16.911 -8.123 -11.220 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.603 -8.079 -13.092 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.643 -7.085 -10.369 1.00 0.00 C ATOM 0 H ILE A 7 14.519 -7.115 -13.251 1.00 0.00 H new ATOM 0 HA ILE A 7 17.203 -5.838 -12.971 1.00 0.00 H new ATOM 0 HB ILE A 7 16.540 -8.740 -13.219 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.845 -8.074 -10.997 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.251 -9.118 -10.933 1.00 0.00 H new ATOM 0 HG21 ILE A 7 18.990 -9.011 -12.679 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.724 -8.084 -14.175 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.153 -7.238 -12.669 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.451 -7.279 -9.314 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.714 -7.148 -10.561 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.286 -6.087 -10.625 1.00 0.00 H new ATOM 139 N VAL A 8 17.373 -5.937 -15.508 1.00 0.00 N ATOM 140 CA VAL A 8 17.315 -5.689 -16.943 1.00 0.00 C ATOM 141 C VAL A 8 18.711 -5.972 -17.500 1.00 0.00 C ATOM 142 O VAL A 8 19.707 -5.577 -16.893 1.00 0.00 O ATOM 143 CB VAL A 8 16.841 -4.235 -17.202 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.546 -4.004 -18.690 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.562 -3.870 -16.421 1.00 0.00 C ATOM 0 H VAL A 8 18.187 -5.519 -15.058 1.00 0.00 H new ATOM 0 HA VAL A 8 16.596 -6.336 -17.447 1.00 0.00 H new ATOM 0 HB VAL A 8 17.662 -3.604 -16.862 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.216 -2.976 -18.840 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.450 -4.184 -19.272 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.762 -4.688 -19.016 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.281 -2.841 -16.644 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.753 -4.539 -16.715 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.747 -3.972 -15.352 1.00 0.00 H new ATOM 155 N ASP A 9 18.790 -6.686 -18.622 1.00 0.00 N ATOM 156 CA ASP A 9 19.995 -6.806 -19.442 1.00 0.00 C ATOM 157 C ASP A 9 19.725 -6.047 -20.737 1.00 0.00 C ATOM 158 O ASP A 9 18.573 -5.982 -21.183 1.00 0.00 O ATOM 159 CB ASP A 9 20.294 -8.270 -19.801 1.00 0.00 C ATOM 160 CG ASP A 9 21.630 -8.444 -20.552 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.539 -7.595 -20.408 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.805 -9.479 -21.234 1.00 0.00 O ATOM 0 H ASP A 9 17.998 -7.210 -18.995 1.00 0.00 H new ATOM 0 HA ASP A 9 20.848 -6.412 -18.890 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.316 -8.865 -18.888 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.484 -8.660 -20.417 1.00 0.00 H new ATOM 167 N GLY A 10 20.758 -5.480 -21.350 1.00 0.00 N ATOM 168 CA GLY A 10 20.625 -4.797 -22.618 1.00 0.00 C ATOM 169 C GLY A 10 21.773 -3.842 -22.888 1.00 0.00 C ATOM 170 O GLY A 10 22.716 -3.732 -22.099 1.00 0.00 O ATOM 0 H GLY A 10 21.707 -5.484 -20.977 1.00 0.00 H new ATOM 0 HA2 GLY A 10 20.573 -5.534 -23.420 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.686 -4.244 -22.632 1.00 0.00 H new ATOM 174 N ARG A 11 21.657 -3.091 -23.986 1.00 0.00 N ATOM 175 CA ARG A 11 22.307 -1.788 -24.083 1.00 0.00 C ATOM 176 C ARG A 11 21.518 -0.877 -23.150 1.00 0.00 C ATOM 177 O ARG A 11 20.433 -0.441 -23.541 1.00 0.00 O ATOM 178 CB ARG A 11 22.303 -1.291 -25.543 1.00 0.00 C ATOM 179 CG ARG A 11 22.946 0.101 -25.677 1.00 0.00 C ATOM 180 CD ARG A 11 22.995 0.598 -27.127 1.00 0.00 C ATOM 181 NE ARG A 11 21.651 0.871 -27.676 1.00 0.00 N ATOM 182 CZ ARG A 11 21.054 0.254 -28.704 1.00 0.00 C ATOM 183 NH1 ARG A 11 21.627 -0.775 -29.325 1.00 0.00 N ATOM 184 NH2 ARG A 11 19.866 0.691 -29.097 1.00 0.00 N ATOM 0 H ARG A 11 21.123 -3.362 -24.812 1.00 0.00 H new ATOM 0 HA ARG A 11 23.357 -1.817 -23.792 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.842 -2.002 -26.170 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.278 -1.254 -25.911 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.386 0.814 -25.072 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.959 0.068 -25.275 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.596 1.506 -27.177 1.00 0.00 H new ATOM 0 HD3 ARG A 11 23.493 -0.148 -27.747 1.00 0.00 H new ATOM 0 HE ARG A 11 21.118 1.612 -27.221 1.00 0.00 H new ATOM 0 HH11 ARG A 11 22.541 -1.110 -29.020 1.00 0.00 H new ATOM 0 HH12 ARG A 11 21.152 -1.228 -30.106 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.429 1.479 -28.619 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.389 0.239 -29.877 1.00 0.00 H new ATOM 198 N VAL A 12 22.016 -0.637 -21.936 1.00 0.00 N ATOM 199 CA VAL A 12 21.334 0.185 -20.933 1.00 0.00 C ATOM 200 C VAL A 12 22.295 1.119 -20.171 1.00 0.00 C ATOM 201 O VAL A 12 21.880 2.207 -19.769 1.00 0.00 O ATOM 202 CB VAL A 12 20.479 -0.696 -19.985 1.00 0.00 C ATOM 203 CG1 VAL A 12 19.217 -1.237 -20.676 1.00 0.00 C ATOM 204 CG2 VAL A 12 21.232 -1.880 -19.363 1.00 0.00 C ATOM 0 H VAL A 12 22.911 -1.010 -21.618 1.00 0.00 H new ATOM 0 HA VAL A 12 20.653 0.848 -21.466 1.00 0.00 H new ATOM 0 HB VAL A 12 20.208 -0.014 -19.180 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.651 -1.848 -19.973 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.600 -0.403 -21.011 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.504 -1.844 -21.535 1.00 0.00 H new ATOM 0 HG21 VAL A 12 20.558 -2.440 -18.715 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.601 -2.533 -20.154 1.00 0.00 H new ATOM 0 HG23 VAL A 12 22.073 -1.509 -18.777 1.00 0.00 H new ATOM 214 N GLN A 13 23.576 0.772 -20.001 1.00 0.00 N ATOM 215 CA GLN A 13 24.480 1.551 -19.150 1.00 0.00 C ATOM 216 C GLN A 13 24.914 2.850 -19.831 1.00 0.00 C ATOM 217 O GLN A 13 24.702 3.930 -19.277 1.00 0.00 O ATOM 218 CB GLN A 13 25.730 0.744 -18.746 1.00 0.00 C ATOM 219 CG GLN A 13 25.469 -0.359 -17.707 1.00 0.00 C ATOM 220 CD GLN A 13 24.941 -1.680 -18.270 1.00 0.00 C ATOM 221 OE1 GLN A 13 24.699 -1.839 -19.466 1.00 0.00 O ATOM 222 NE2 GLN A 13 24.763 -2.657 -17.400 1.00 0.00 N ATOM 0 H GLN A 13 24.008 -0.041 -20.440 1.00 0.00 H new ATOM 0 HA GLN A 13 23.916 1.794 -18.249 1.00 0.00 H new ATOM 0 HB2 GLN A 13 26.158 0.290 -19.640 1.00 0.00 H new ATOM 0 HB3 GLN A 13 26.477 1.431 -18.348 1.00 0.00 H new ATOM 0 HG2 GLN A 13 26.398 -0.557 -17.172 1.00 0.00 H new ATOM 0 HG3 GLN A 13 24.753 0.016 -16.976 1.00 0.00 H new ATOM 0 HE21 GLN A 13 24.970 -2.505 -16.413 1.00 0.00 H new ATOM 0 HE22 GLN A 13 24.419 -3.564 -17.715 1.00 0.00 H new ATOM 231 N GLY A 14 25.512 2.763 -21.024 1.00 0.00 N ATOM 232 CA GLY A 14 26.103 3.922 -21.696 1.00 0.00 C ATOM 233 C GLY A 14 25.035 4.908 -22.168 1.00 0.00 C ATOM 234 O GLY A 14 25.250 6.121 -22.162 1.00 0.00 O ATOM 0 H GLY A 14 25.599 1.892 -21.547 1.00 0.00 H new ATOM 0 HA2 GLY A 14 26.789 4.427 -21.015 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.691 3.586 -22.550 1.00 0.00 H new ATOM 238 N VAL A 15 23.859 4.385 -22.522 1.00 0.00 N ATOM 239 CA VAL A 15 22.676 5.156 -22.896 1.00 0.00 C ATOM 240 C VAL A 15 22.001 5.823 -21.682 1.00 0.00 C ATOM 241 O VAL A 15 21.079 6.619 -21.865 1.00 0.00 O ATOM 242 CB VAL A 15 21.712 4.251 -23.693 1.00 0.00 C ATOM 243 CG1 VAL A 15 22.313 3.886 -25.059 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.364 2.956 -22.942 1.00 0.00 C ATOM 0 H VAL A 15 23.701 3.378 -22.557 1.00 0.00 H new ATOM 0 HA VAL A 15 22.983 5.983 -23.537 1.00 0.00 H new ATOM 0 HB VAL A 15 20.795 4.825 -23.827 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.617 3.248 -25.604 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.495 4.796 -25.631 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.254 3.355 -24.913 1.00 0.00 H new ATOM 0 HG21 VAL A 15 20.684 2.356 -23.547 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.276 2.389 -22.752 1.00 0.00 H new ATOM 0 HG23 VAL A 15 20.886 3.202 -21.994 1.00 0.00 H new ATOM 254 N GLY A 16 22.457 5.549 -20.451 1.00 0.00 N ATOM 255 CA GLY A 16 22.003 6.255 -19.262 1.00 0.00 C ATOM 256 C GLY A 16 20.606 5.827 -18.821 1.00 0.00 C ATOM 257 O GLY A 16 19.843 6.661 -18.333 1.00 0.00 O ATOM 0 H GLY A 16 23.153 4.828 -20.260 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.707 6.078 -18.448 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.005 7.327 -19.458 1.00 0.00 H new ATOM 261 N PHE A 17 20.254 4.545 -18.981 1.00 0.00 N ATOM 262 CA PHE A 17 18.932 4.026 -18.624 1.00 0.00 C ATOM 263 C PHE A 17 18.552 4.354 -17.177 1.00 0.00 C ATOM 264 O PHE A 17 17.397 4.663 -16.905 1.00 0.00 O ATOM 265 CB PHE A 17 18.894 2.516 -18.885 1.00 0.00 C ATOM 266 CG PHE A 17 17.604 1.807 -18.517 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.358 2.324 -18.921 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.652 0.609 -17.778 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.171 1.653 -18.582 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.469 -0.078 -17.467 1.00 0.00 C ATOM 271 CZ PHE A 17 15.228 0.437 -17.876 1.00 0.00 C ATOM 0 H PHE A 17 20.882 3.838 -19.363 1.00 0.00 H new ATOM 0 HA PHE A 17 18.188 4.518 -19.251 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.089 2.346 -19.944 1.00 0.00 H new ATOM 0 HB3 PHE A 17 19.710 2.052 -18.332 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.315 3.239 -19.493 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.603 0.218 -17.449 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.215 2.070 -18.863 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.513 -1.004 -16.913 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.319 -0.100 -17.649 1.00 0.00 H new ATOM 281 N ARG A 18 19.519 4.373 -16.251 1.00 0.00 N ATOM 282 CA ARG A 18 19.290 4.773 -14.859 1.00 0.00 C ATOM 283 C ARG A 18 18.578 6.127 -14.738 1.00 0.00 C ATOM 284 O ARG A 18 17.717 6.280 -13.871 1.00 0.00 O ATOM 285 CB ARG A 18 20.616 4.725 -14.073 1.00 0.00 C ATOM 286 CG ARG A 18 21.661 5.739 -14.573 1.00 0.00 C ATOM 287 CD ARG A 18 23.076 5.424 -14.073 1.00 0.00 C ATOM 288 NE ARG A 18 24.070 6.246 -14.789 1.00 0.00 N ATOM 289 CZ ARG A 18 24.612 5.978 -15.985 1.00 0.00 C ATOM 290 NH1 ARG A 18 24.371 4.820 -16.598 1.00 0.00 N ATOM 291 NH2 ARG A 18 25.377 6.891 -16.570 1.00 0.00 N ATOM 0 H ARG A 18 20.485 4.110 -16.448 1.00 0.00 H new ATOM 0 HA ARG A 18 18.604 4.054 -14.411 1.00 0.00 H new ATOM 0 HB2 ARG A 18 20.412 4.915 -13.019 1.00 0.00 H new ATOM 0 HB3 ARG A 18 21.034 3.721 -14.141 1.00 0.00 H new ATOM 0 HG2 ARG A 18 21.659 5.749 -15.663 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.378 6.739 -14.244 1.00 0.00 H new ATOM 0 HD2 ARG A 18 23.141 5.615 -13.002 1.00 0.00 H new ATOM 0 HD3 ARG A 18 23.294 4.367 -14.222 1.00 0.00 H new ATOM 0 HE ARG A 18 24.375 7.103 -14.328 1.00 0.00 H new ATOM 0 HH11 ARG A 18 23.768 4.125 -16.157 1.00 0.00 H new ATOM 0 HH12 ARG A 18 24.789 4.628 -17.508 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.547 7.785 -16.109 1.00 0.00 H new ATOM 0 HH22 ARG A 18 25.795 6.699 -17.480 1.00 0.00 H new ATOM 305 N TYR A 19 18.883 7.096 -15.603 1.00 0.00 N ATOM 306 CA TYR A 19 18.231 8.399 -15.561 1.00 0.00 C ATOM 307 C TYR A 19 16.791 8.278 -16.060 1.00 0.00 C ATOM 308 O TYR A 19 15.892 8.853 -15.450 1.00 0.00 O ATOM 309 CB TYR A 19 19.027 9.426 -16.381 1.00 0.00 C ATOM 310 CG TYR A 19 20.510 9.478 -16.045 1.00 0.00 C ATOM 311 CD1 TYR A 19 20.936 9.797 -14.740 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.464 9.169 -17.030 1.00 0.00 C ATOM 313 CE1 TYR A 19 22.304 9.776 -14.413 1.00 0.00 C ATOM 314 CE2 TYR A 19 22.833 9.143 -16.714 1.00 0.00 C ATOM 315 CZ TYR A 19 23.260 9.438 -15.400 1.00 0.00 C ATOM 316 OH TYR A 19 24.589 9.370 -15.094 1.00 0.00 O ATOM 0 H TYR A 19 19.580 6.999 -16.342 1.00 0.00 H new ATOM 0 HA TYR A 19 18.204 8.752 -14.530 1.00 0.00 H new ATOM 0 HB2 TYR A 19 18.914 9.195 -17.440 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.595 10.414 -16.222 1.00 0.00 H new ATOM 0 HD1 TYR A 19 20.208 10.059 -13.987 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.142 8.950 -18.037 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.624 10.017 -13.410 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.559 8.898 -17.475 1.00 0.00 H new ATOM 0 HH TYR A 19 24.696 9.107 -14.156 1.00 0.00 H new ATOM 326 N PHE A 20 16.547 7.494 -17.116 1.00 0.00 N ATOM 327 CA PHE A 20 15.202 7.242 -17.624 1.00 0.00 C ATOM 328 C PHE A 20 14.347 6.586 -16.539 1.00 0.00 C ATOM 329 O PHE A 20 13.259 7.075 -16.244 1.00 0.00 O ATOM 330 CB PHE A 20 15.265 6.378 -18.890 1.00 0.00 C ATOM 331 CG PHE A 20 13.932 6.182 -19.587 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.470 7.137 -20.513 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.161 5.032 -19.328 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.246 6.941 -21.179 1.00 0.00 C ATOM 335 CE2 PHE A 20 11.943 4.833 -20.001 1.00 0.00 C ATOM 336 CZ PHE A 20 11.485 5.786 -20.926 1.00 0.00 C ATOM 0 H PHE A 20 17.281 7.017 -17.640 1.00 0.00 H new ATOM 0 HA PHE A 20 14.735 8.190 -17.893 1.00 0.00 H new ATOM 0 HB2 PHE A 20 15.963 6.835 -19.591 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.670 5.401 -18.627 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.056 8.022 -20.712 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.506 4.302 -18.611 1.00 0.00 H new ATOM 0 HE1 PHE A 20 11.891 7.678 -21.884 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.358 3.946 -19.807 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.549 5.632 -21.442 1.00 0.00 H new ATOM 346 N VAL A 21 14.864 5.535 -15.894 1.00 0.00 N ATOM 347 CA VAL A 21 14.216 4.868 -14.769 1.00 0.00 C ATOM 348 C VAL A 21 13.858 5.908 -13.706 1.00 0.00 C ATOM 349 O VAL A 21 12.698 5.991 -13.306 1.00 0.00 O ATOM 350 CB VAL A 21 15.149 3.767 -14.219 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.645 3.141 -12.913 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.337 2.623 -15.225 1.00 0.00 C ATOM 0 H VAL A 21 15.761 5.120 -16.147 1.00 0.00 H new ATOM 0 HA VAL A 21 13.291 4.386 -15.087 1.00 0.00 H new ATOM 0 HB VAL A 21 16.093 4.280 -14.033 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.347 2.376 -12.582 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.562 3.913 -12.148 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.667 2.689 -13.080 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.000 1.870 -14.799 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.370 2.172 -15.448 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.775 3.014 -16.143 1.00 0.00 H new ATOM 362 N GLN A 22 14.823 6.724 -13.269 1.00 0.00 N ATOM 363 CA GLN A 22 14.584 7.692 -12.212 1.00 0.00 C ATOM 364 C GLN A 22 13.482 8.681 -12.600 1.00 0.00 C ATOM 365 O GLN A 22 12.602 8.965 -11.789 1.00 0.00 O ATOM 366 CB GLN A 22 15.899 8.407 -11.863 1.00 0.00 C ATOM 367 CG GLN A 22 15.672 9.504 -10.803 1.00 0.00 C ATOM 368 CD GLN A 22 16.757 9.556 -9.740 1.00 0.00 C ATOM 369 OE1 GLN A 22 16.991 8.435 -9.079 1.00 0.00 O flip ATOM 370 NE2 GLN A 22 17.371 10.589 -9.484 1.00 0.00 N flip ATOM 0 H GLN A 22 15.775 6.728 -13.636 1.00 0.00 H new ATOM 0 HA GLN A 22 14.231 7.168 -11.324 1.00 0.00 H new ATOM 0 HB2 GLN A 22 16.623 7.682 -11.491 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.325 8.850 -12.763 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.616 10.472 -11.300 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.709 9.337 -10.320 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.174 11.442 -10.007 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.078 10.593 -8.749 1.00 0.00 H new ATOM 379 N MET A 23 13.513 9.217 -13.816 1.00 0.00 N ATOM 380 CA MET A 23 12.597 10.281 -14.202 1.00 0.00 C ATOM 381 C MET A 23 11.190 9.725 -14.445 1.00 0.00 C ATOM 382 O MET A 23 10.208 10.378 -14.090 1.00 0.00 O ATOM 383 CB MET A 23 13.166 11.023 -15.415 1.00 0.00 C ATOM 384 CG MET A 23 14.467 11.746 -15.024 1.00 0.00 C ATOM 385 SD MET A 23 15.349 12.500 -16.420 1.00 0.00 S ATOM 386 CE MET A 23 16.811 13.119 -15.543 1.00 0.00 C ATOM 0 H MET A 23 14.162 8.931 -14.549 1.00 0.00 H new ATOM 0 HA MET A 23 12.500 11.002 -13.390 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.360 10.319 -16.225 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.437 11.743 -15.787 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.233 12.522 -14.295 1.00 0.00 H new ATOM 0 HG3 MET A 23 15.130 11.035 -14.531 1.00 0.00 H new ATOM 0 HE1 MET A 23 17.475 13.618 -16.249 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.501 13.826 -14.774 1.00 0.00 H new ATOM 0 HE3 MET A 23 17.337 12.285 -15.078 1.00 0.00 H new ATOM 396 N GLU A 24 11.064 8.504 -14.972 1.00 0.00 N ATOM 397 CA GLU A 24 9.767 7.855 -15.124 1.00 0.00 C ATOM 398 C GLU A 24 9.220 7.368 -13.769 1.00 0.00 C ATOM 399 O GLU A 24 8.003 7.277 -13.608 1.00 0.00 O ATOM 400 CB GLU A 24 9.848 6.716 -16.157 1.00 0.00 C ATOM 401 CG GLU A 24 10.166 7.192 -17.587 1.00 0.00 C ATOM 402 CD GLU A 24 9.231 8.304 -18.092 1.00 0.00 C ATOM 403 OE1 GLU A 24 7.996 8.160 -17.965 1.00 0.00 O ATOM 404 OE2 GLU A 24 9.721 9.324 -18.626 1.00 0.00 O ATOM 0 H GLU A 24 11.852 7.946 -15.301 1.00 0.00 H new ATOM 0 HA GLU A 24 9.059 8.592 -15.502 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.613 6.007 -15.842 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.900 6.179 -16.166 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.194 7.552 -17.620 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.104 6.341 -18.266 1.00 0.00 H new ATOM 411 N ALA A 25 10.077 7.109 -12.774 1.00 0.00 N ATOM 412 CA ALA A 25 9.632 6.871 -11.406 1.00 0.00 C ATOM 413 C ALA A 25 9.115 8.176 -10.800 1.00 0.00 C ATOM 414 O ALA A 25 8.036 8.207 -10.206 1.00 0.00 O ATOM 415 CB ALA A 25 10.782 6.322 -10.554 1.00 0.00 C ATOM 0 H ALA A 25 11.088 7.060 -12.898 1.00 0.00 H new ATOM 0 HA ALA A 25 8.829 6.134 -11.422 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.431 6.151 -9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.134 5.382 -10.980 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.600 7.042 -10.539 1.00 0.00 H new ATOM 421 N ASP A 26 9.877 9.260 -10.965 1.00 0.00 N ATOM 422 CA ASP A 26 9.579 10.568 -10.394 1.00 0.00 C ATOM 423 C ASP A 26 8.278 11.141 -10.948 1.00 0.00 C ATOM 424 O ASP A 26 7.484 11.680 -10.180 1.00 0.00 O ATOM 425 CB ASP A 26 10.732 11.542 -10.652 1.00 0.00 C ATOM 426 CG ASP A 26 10.400 12.939 -10.102 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.474 13.139 -8.869 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.093 13.850 -10.902 1.00 0.00 O ATOM 0 H ASP A 26 10.737 9.248 -11.513 1.00 0.00 H new ATOM 0 HA ASP A 26 9.457 10.435 -9.319 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.642 11.168 -10.182 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.928 11.605 -11.722 1.00 0.00 H new ATOM 433 N LYS A 27 7.994 10.967 -12.248 1.00 0.00 N ATOM 434 CA LYS A 27 6.726 11.429 -12.820 1.00 0.00 C ATOM 435 C LYS A 27 5.521 10.682 -12.231 1.00 0.00 C ATOM 436 O LYS A 27 4.414 11.217 -12.250 1.00 0.00 O ATOM 437 CB LYS A 27 6.782 11.463 -14.364 1.00 0.00 C ATOM 438 CG LYS A 27 6.565 10.135 -15.111 1.00 0.00 C ATOM 439 CD LYS A 27 5.090 9.863 -15.457 1.00 0.00 C ATOM 440 CE LYS A 27 4.866 8.554 -16.233 1.00 0.00 C ATOM 441 NZ LYS A 27 5.330 8.621 -17.640 1.00 0.00 N ATOM 0 H LYS A 27 8.620 10.514 -12.914 1.00 0.00 H new ATOM 0 HA LYS A 27 6.571 12.466 -12.521 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.031 12.172 -14.713 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.754 11.859 -14.657 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.151 10.144 -16.030 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.944 9.316 -14.499 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.510 9.832 -14.535 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.706 10.695 -16.047 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.388 7.744 -15.724 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.804 8.308 -16.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.105 7.727 -18.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.852 9.407 -18.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.358 8.776 -17.659 1.00 0.00 H new ATOM 455 N ARG A 28 5.719 9.478 -11.672 1.00 0.00 N ATOM 456 CA ARG A 28 4.696 8.732 -10.929 1.00 0.00 C ATOM 457 C ARG A 28 4.838 8.914 -9.410 1.00 0.00 C ATOM 458 O ARG A 28 4.098 8.277 -8.660 1.00 0.00 O ATOM 459 CB ARG A 28 4.765 7.235 -11.303 1.00 0.00 C ATOM 460 CG ARG A 28 4.393 6.881 -12.751 1.00 0.00 C ATOM 461 CD ARG A 28 3.039 7.421 -13.238 1.00 0.00 C ATOM 462 NE ARG A 28 1.905 7.045 -12.362 1.00 0.00 N ATOM 463 CZ ARG A 28 0.834 6.306 -12.694 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.696 5.811 -13.918 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.095 6.044 -11.782 1.00 0.00 N ATOM 0 H ARG A 28 6.612 8.988 -11.726 1.00 0.00 H new ATOM 0 HA ARG A 28 3.722 9.132 -11.210 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.778 6.880 -11.113 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.104 6.684 -10.635 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.174 7.259 -13.411 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.389 5.796 -12.852 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.092 8.508 -13.304 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.849 7.049 -14.245 1.00 0.00 H new ATOM 0 HE ARG A 28 1.942 7.385 -11.401 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.410 5.990 -14.624 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.124 5.252 -14.152 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.006 6.404 -10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.910 5.483 -12.031 1.00 0.00 H new ATOM 479 N LYS A 29 5.761 9.763 -8.940 1.00 0.00 N ATOM 480 CA LYS A 29 6.112 9.960 -7.529 1.00 0.00 C ATOM 481 C LYS A 29 6.366 8.634 -6.794 1.00 0.00 C ATOM 482 O LYS A 29 6.053 8.509 -5.607 1.00 0.00 O ATOM 483 CB LYS A 29 5.080 10.875 -6.834 1.00 0.00 C ATOM 484 CG LYS A 29 4.957 12.257 -7.505 1.00 0.00 C ATOM 485 CD LYS A 29 3.941 13.178 -6.813 1.00 0.00 C ATOM 486 CE LYS A 29 4.380 13.571 -5.393 1.00 0.00 C ATOM 487 NZ LYS A 29 3.427 14.513 -4.753 1.00 0.00 N ATOM 0 H LYS A 29 6.308 10.358 -9.562 1.00 0.00 H new ATOM 0 HA LYS A 29 7.068 10.481 -7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.106 10.386 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.364 11.007 -5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.934 12.741 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.666 12.123 -8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.805 14.079 -7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.974 12.678 -6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.468 12.674 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.369 14.028 -5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.763 14.751 -3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.361 15.381 -5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.489 14.068 -4.690 1.00 0.00 H new ATOM 501 N LEU A 30 6.922 7.633 -7.486 1.00 0.00 N ATOM 502 CA LEU A 30 7.407 6.406 -6.851 1.00 0.00 C ATOM 503 C LEU A 30 8.657 6.728 -6.023 1.00 0.00 C ATOM 504 O LEU A 30 9.287 7.773 -6.214 1.00 0.00 O ATOM 505 CB LEU A 30 7.723 5.338 -7.915 1.00 0.00 C ATOM 506 CG LEU A 30 6.491 4.797 -8.666 1.00 0.00 C ATOM 507 CD1 LEU A 30 6.940 3.846 -9.774 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.526 4.043 -7.752 1.00 0.00 C ATOM 0 H LEU A 30 7.047 7.652 -8.498 1.00 0.00 H new ATOM 0 HA LEU A 30 6.633 6.008 -6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.418 5.761 -8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.234 4.504 -7.433 1.00 0.00 H new ATOM 0 HG LEU A 30 5.968 5.662 -9.074 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.066 3.465 -10.303 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.583 4.380 -10.473 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.491 3.013 -9.337 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.677 3.685 -8.335 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.040 3.194 -7.301 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.171 4.711 -6.967 1.00 0.00 H new ATOM 520 N ALA A 31 9.053 5.805 -5.145 1.00 0.00 N ATOM 521 CA ALA A 31 10.267 5.894 -4.337 1.00 0.00 C ATOM 522 C ALA A 31 11.043 4.587 -4.490 1.00 0.00 C ATOM 523 O ALA A 31 10.418 3.546 -4.709 1.00 0.00 O ATOM 524 CB ALA A 31 9.888 6.144 -2.875 1.00 0.00 C ATOM 0 H ALA A 31 8.522 4.951 -4.973 1.00 0.00 H new ATOM 0 HA ALA A 31 10.894 6.722 -4.669 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.793 6.211 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.331 7.078 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.270 5.322 -2.514 1.00 0.00 H new ATOM 530 N GLY A 32 12.378 4.615 -4.406 1.00 0.00 N ATOM 531 CA GLY A 32 13.174 3.443 -4.769 1.00 0.00 C ATOM 532 C GLY A 32 14.639 3.740 -5.087 1.00 0.00 C ATOM 533 O GLY A 32 15.145 4.817 -4.761 1.00 0.00 O ATOM 0 H GLY A 32 12.920 5.422 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.132 2.725 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.718 2.965 -5.636 1.00 0.00 H new ATOM 537 N TRP A 33 15.323 2.794 -5.738 1.00 0.00 N ATOM 538 CA TRP A 33 16.686 2.967 -6.232 1.00 0.00 C ATOM 539 C TRP A 33 16.837 2.419 -7.647 1.00 0.00 C ATOM 540 O TRP A 33 16.047 1.583 -8.093 1.00 0.00 O ATOM 541 CB TRP A 33 17.732 2.346 -5.281 1.00 0.00 C ATOM 542 CG TRP A 33 17.854 0.842 -5.138 1.00 0.00 C ATOM 543 CD1 TRP A 33 18.100 -0.066 -6.120 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.887 0.067 -3.896 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.264 -1.327 -5.577 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.178 -1.296 -4.207 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.741 0.383 -2.526 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.332 -2.282 -3.224 1.00 0.00 C ATOM 549 CZ3 TRP A 33 17.881 -0.601 -1.528 1.00 0.00 C ATOM 550 CH2 TRP A 33 18.180 -1.932 -1.873 1.00 0.00 C ATOM 0 H TRP A 33 14.935 1.872 -5.938 1.00 0.00 H new ATOM 0 HA TRP A 33 16.877 4.040 -6.264 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.708 2.718 -5.591 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.539 2.748 -4.286 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.159 0.165 -7.173 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.428 -2.172 -6.124 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.518 1.400 -2.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.565 -3.299 -3.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.758 -0.332 -0.489 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.292 -2.680 -1.102 1.00 0.00 H new ATOM 561 N VAL A 34 17.913 2.826 -8.320 1.00 0.00 N ATOM 562 CA VAL A 34 18.404 2.196 -9.536 1.00 0.00 C ATOM 563 C VAL A 34 19.928 2.099 -9.427 1.00 0.00 C ATOM 564 O VAL A 34 20.568 3.009 -8.891 1.00 0.00 O ATOM 565 CB VAL A 34 17.898 2.971 -10.773 1.00 0.00 C ATOM 566 CG1 VAL A 34 18.366 4.429 -10.842 1.00 0.00 C ATOM 567 CG2 VAL A 34 18.266 2.247 -12.075 1.00 0.00 C ATOM 0 H VAL A 34 18.478 3.622 -8.024 1.00 0.00 H new ATOM 0 HA VAL A 34 18.020 1.183 -9.660 1.00 0.00 H new ATOM 0 HB VAL A 34 16.814 2.999 -10.658 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.965 4.898 -11.741 1.00 0.00 H new ATOM 0 HG12 VAL A 34 18.011 4.967 -9.963 1.00 0.00 H new ATOM 0 HG13 VAL A 34 19.455 4.461 -10.871 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.896 2.818 -12.926 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.350 2.153 -12.145 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.815 1.255 -12.080 1.00 0.00 H new ATOM 577 N LYS A 35 20.517 1.000 -9.905 1.00 0.00 N ATOM 578 CA LYS A 35 21.964 0.807 -9.911 1.00 0.00 C ATOM 579 C LYS A 35 22.390 -0.148 -11.014 1.00 0.00 C ATOM 580 O LYS A 35 21.628 -1.033 -11.403 1.00 0.00 O ATOM 581 CB LYS A 35 22.444 0.305 -8.536 1.00 0.00 C ATOM 582 CG LYS A 35 21.862 -1.039 -8.070 1.00 0.00 C ATOM 583 CD LYS A 35 22.420 -1.390 -6.683 1.00 0.00 C ATOM 584 CE LYS A 35 21.828 -2.715 -6.190 1.00 0.00 C ATOM 585 NZ LYS A 35 22.334 -3.102 -4.849 1.00 0.00 N ATOM 0 H LYS A 35 19.998 0.216 -10.300 1.00 0.00 H new ATOM 0 HA LYS A 35 22.432 1.771 -10.111 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.530 0.219 -8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 35 22.202 1.062 -7.790 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.774 -0.982 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 35 22.115 -1.823 -8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.506 -1.464 -6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.185 -0.594 -5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.742 -2.633 -6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.065 -3.503 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.903 -4.004 -4.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.368 -3.208 -4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.086 -2.365 -4.158 1.00 0.00 H new ATOM 599 N ASN A 36 23.625 -0.003 -11.497 1.00 0.00 N ATOM 600 CA ASN A 36 24.278 -1.044 -12.289 1.00 0.00 C ATOM 601 C ASN A 36 24.567 -2.251 -11.386 1.00 0.00 C ATOM 602 O ASN A 36 24.729 -2.084 -10.174 1.00 0.00 O ATOM 603 CB ASN A 36 25.581 -0.493 -12.891 1.00 0.00 C ATOM 604 CG ASN A 36 26.256 -1.530 -13.781 1.00 0.00 C ATOM 605 OD1 ASN A 36 25.699 -1.931 -14.796 1.00 0.00 O ATOM 606 ND2 ASN A 36 27.435 -2.004 -13.420 1.00 0.00 N ATOM 0 H ASN A 36 24.195 0.830 -11.352 1.00 0.00 H new ATOM 0 HA ASN A 36 23.627 -1.358 -13.105 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.366 0.404 -13.471 1.00 0.00 H new ATOM 0 HB3 ASN A 36 26.260 -0.200 -12.090 1.00 0.00 H new ATOM 0 HD21 ASN A 36 27.895 -2.714 -13.989 1.00 0.00 H new ATOM 0 HD22 ASN A 36 27.885 -1.660 -12.572 1.00 0.00 H new ATOM 668 N ARG A 41 23.994 -6.498 -15.629 1.00 0.00 N ATOM 669 CA ARG A 41 22.597 -6.108 -15.481 1.00 0.00 C ATOM 670 C ARG A 41 22.513 -4.671 -14.966 1.00 0.00 C ATOM 671 O ARG A 41 23.491 -4.105 -14.478 1.00 0.00 O ATOM 672 CB ARG A 41 21.880 -7.059 -14.502 1.00 0.00 C ATOM 673 CG ARG A 41 21.762 -8.515 -14.969 1.00 0.00 C ATOM 674 CD ARG A 41 20.843 -8.668 -16.181 1.00 0.00 C ATOM 675 NE ARG A 41 20.503 -10.084 -16.409 1.00 0.00 N ATOM 676 CZ ARG A 41 19.342 -10.559 -16.885 1.00 0.00 C ATOM 677 NH1 ARG A 41 18.345 -9.757 -17.238 1.00 0.00 N ATOM 678 NH2 ARG A 41 19.153 -11.861 -17.032 1.00 0.00 N ATOM 0 HA ARG A 41 22.108 -6.170 -16.453 1.00 0.00 H new ATOM 0 HB2 ARG A 41 22.411 -7.042 -13.550 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.878 -6.673 -14.315 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.753 -8.895 -15.218 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.383 -9.126 -14.150 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.931 -8.092 -16.026 1.00 0.00 H new ATOM 0 HD3 ARG A 41 21.331 -8.260 -17.066 1.00 0.00 H new ATOM 0 HE ARG A 41 21.222 -10.771 -16.182 1.00 0.00 H new ATOM 0 HH11 ARG A 41 18.448 -8.746 -17.151 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.475 -10.152 -17.596 1.00 0.00 H new ATOM 0 HH21 ARG A 41 19.895 -12.515 -16.782 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.266 -12.210 -17.395 1.00 0.00 H new ATOM 692 N VAL A 42 21.302 -4.137 -14.965 1.00 0.00 N ATOM 693 CA VAL A 42 20.898 -2.992 -14.164 1.00 0.00 C ATOM 694 C VAL A 42 19.781 -3.517 -13.261 1.00 0.00 C ATOM 695 O VAL A 42 19.043 -4.427 -13.649 1.00 0.00 O ATOM 696 CB VAL A 42 20.468 -1.838 -15.102 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.817 -0.651 -14.376 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.679 -1.306 -15.887 1.00 0.00 C ATOM 0 H VAL A 42 20.545 -4.502 -15.543 1.00 0.00 H new ATOM 0 HA VAL A 42 21.693 -2.573 -13.548 1.00 0.00 H new ATOM 0 HB VAL A 42 19.720 -2.273 -15.765 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.545 0.115 -15.102 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.923 -0.990 -13.854 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.521 -0.234 -13.656 1.00 0.00 H new ATOM 0 HG21 VAL A 42 21.360 -0.495 -16.542 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.430 -0.935 -15.190 1.00 0.00 H new ATOM 0 HG23 VAL A 42 22.106 -2.110 -16.486 1.00 0.00 H new ATOM 708 N GLU A 43 19.661 -2.955 -12.063 1.00 0.00 N ATOM 709 CA GLU A 43 18.641 -3.285 -11.086 1.00 0.00 C ATOM 710 C GLU A 43 17.899 -2.009 -10.736 1.00 0.00 C ATOM 711 O GLU A 43 18.494 -0.941 -10.587 1.00 0.00 O ATOM 712 CB GLU A 43 19.282 -3.911 -9.840 1.00 0.00 C ATOM 713 CG GLU A 43 18.303 -4.065 -8.663 1.00 0.00 C ATOM 714 CD GLU A 43 18.943 -4.743 -7.452 1.00 0.00 C ATOM 715 OE1 GLU A 43 19.284 -5.950 -7.534 1.00 0.00 O ATOM 716 OE2 GLU A 43 19.068 -4.058 -6.413 1.00 0.00 O ATOM 0 H GLU A 43 20.299 -2.229 -11.737 1.00 0.00 H new ATOM 0 HA GLU A 43 17.942 -4.016 -11.494 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.684 -4.890 -10.100 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.124 -3.295 -9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.934 -3.082 -8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.440 -4.647 -8.987 1.00 0.00 H new ATOM 723 N ILE A 44 16.594 -2.159 -10.564 1.00 0.00 N ATOM 724 CA ILE A 44 15.644 -1.140 -10.189 1.00 0.00 C ATOM 725 C ILE A 44 14.902 -1.744 -8.997 1.00 0.00 C ATOM 726 O ILE A 44 14.625 -2.945 -8.993 1.00 0.00 O ATOM 727 CB ILE A 44 14.700 -0.898 -11.387 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.464 -0.614 -12.707 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.699 0.229 -11.072 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.613 -0.923 -13.932 1.00 0.00 C ATOM 0 H ILE A 44 16.146 -3.066 -10.694 1.00 0.00 H new ATOM 0 HA ILE A 44 16.089 -0.180 -9.929 1.00 0.00 H new ATOM 0 HB ILE A 44 14.146 -1.823 -11.545 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.770 0.432 -12.732 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.374 -1.213 -12.736 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.043 0.383 -11.929 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.102 -0.047 -10.203 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.243 1.150 -10.861 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.185 -0.711 -14.835 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.329 -1.975 -13.922 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.716 -0.305 -13.917 1.00 0.00 H new ATOM 742 N LEU A 45 14.547 -0.943 -8.002 1.00 0.00 N ATOM 743 CA LEU A 45 13.723 -1.369 -6.877 1.00 0.00 C ATOM 744 C LEU A 45 12.804 -0.197 -6.598 1.00 0.00 C ATOM 745 O LEU A 45 13.300 0.924 -6.508 1.00 0.00 O ATOM 746 CB LEU A 45 14.630 -1.732 -5.687 1.00 0.00 C ATOM 747 CG LEU A 45 13.954 -2.605 -4.611 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.026 -3.130 -3.652 1.00 0.00 C ATOM 749 CD2 LEU A 45 12.887 -1.876 -3.784 1.00 0.00 C ATOM 0 H LEU A 45 14.827 0.036 -7.952 1.00 0.00 H new ATOM 0 HA LEU A 45 13.133 -2.263 -7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.509 -2.256 -6.063 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.983 -0.812 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 45 13.446 -3.406 -5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.558 -3.749 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.751 -3.726 -4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.534 -2.290 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.463 -2.562 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.342 -1.030 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.098 -1.517 -4.444 1.00 0.00 H new ATOM 761 N ALA A 46 11.493 -0.420 -6.514 1.00 0.00 N ATOM 762 CA ALA A 46 10.516 0.647 -6.364 1.00 0.00 C ATOM 763 C ALA A 46 9.397 0.212 -5.424 1.00 0.00 C ATOM 764 O ALA A 46 9.079 -0.975 -5.331 1.00 0.00 O ATOM 765 CB ALA A 46 9.940 1.022 -7.735 1.00 0.00 C ATOM 0 H ALA A 46 11.081 -1.352 -6.549 1.00 0.00 H new ATOM 0 HA ALA A 46 11.009 1.519 -5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.209 1.822 -7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.745 1.360 -8.388 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.456 0.151 -8.177 1.00 0.00 H new ATOM 771 N GLU A 47 8.774 1.193 -4.783 1.00 0.00 N ATOM 772 CA GLU A 47 7.618 1.069 -3.910 1.00 0.00 C ATOM 773 C GLU A 47 6.589 2.113 -4.352 1.00 0.00 C ATOM 774 O GLU A 47 6.961 3.235 -4.715 1.00 0.00 O ATOM 775 CB GLU A 47 8.074 1.318 -2.463 1.00 0.00 C ATOM 776 CG GLU A 47 6.924 1.272 -1.444 1.00 0.00 C ATOM 777 CD GLU A 47 7.384 1.701 -0.044 1.00 0.00 C ATOM 778 OE1 GLU A 47 8.461 1.247 0.395 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.669 2.488 0.617 1.00 0.00 O ATOM 0 H GLU A 47 9.086 2.161 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 47 7.170 0.077 -3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.820 0.571 -2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.561 2.291 -2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.117 1.925 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.518 0.261 -1.399 1.00 0.00 H new ATOM 786 N GLY A 48 5.301 1.758 -4.302 1.00 0.00 N ATOM 787 CA GLY A 48 4.208 2.670 -4.613 1.00 0.00 C ATOM 788 C GLY A 48 2.867 1.946 -4.709 1.00 0.00 C ATOM 789 O GLY A 48 2.791 0.756 -4.392 1.00 0.00 O ATOM 0 H GLY A 48 4.991 0.822 -4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.149 3.441 -3.844 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.415 3.176 -5.556 1.00 0.00 H new ATOM 793 N PRO A 49 1.791 2.636 -5.121 1.00 0.00 N ATOM 794 CA PRO A 49 0.517 1.995 -5.411 1.00 0.00 C ATOM 795 C PRO A 49 0.642 1.129 -6.672 1.00 0.00 C ATOM 796 O PRO A 49 1.450 1.413 -7.561 1.00 0.00 O ATOM 797 CB PRO A 49 -0.487 3.140 -5.568 1.00 0.00 C ATOM 798 CG PRO A 49 0.367 4.310 -6.054 1.00 0.00 C ATOM 799 CD PRO A 49 1.736 4.062 -5.418 1.00 0.00 C ATOM 0 HA PRO A 49 0.190 1.317 -4.623 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.269 2.891 -6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.982 3.371 -4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.431 4.332 -7.142 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.051 5.266 -5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.539 4.350 -6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.857 4.654 -4.511 1.00 0.00 H new ATOM 807 N GLU A 50 -0.176 0.077 -6.760 1.00 0.00 N ATOM 808 CA GLU A 50 -0.047 -0.950 -7.790 1.00 0.00 C ATOM 809 C GLU A 50 -0.197 -0.363 -9.199 1.00 0.00 C ATOM 810 O GLU A 50 0.568 -0.733 -10.086 1.00 0.00 O ATOM 811 CB GLU A 50 -1.062 -2.074 -7.512 1.00 0.00 C ATOM 812 CG GLU A 50 -0.899 -3.276 -8.454 1.00 0.00 C ATOM 813 CD GLU A 50 -1.959 -4.358 -8.171 1.00 0.00 C ATOM 814 OE1 GLU A 50 -3.085 -4.267 -8.712 1.00 0.00 O ATOM 815 OE2 GLU A 50 -1.675 -5.320 -7.424 1.00 0.00 O ATOM 0 H GLU A 50 -0.949 -0.085 -6.115 1.00 0.00 H new ATOM 0 HA GLU A 50 0.957 -1.373 -7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.951 -2.410 -6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.072 -1.676 -7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.983 -2.944 -9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.098 -3.701 -8.336 1.00 0.00 H new ATOM 822 N ASN A 51 -1.120 0.584 -9.416 1.00 0.00 N ATOM 823 CA ASN A 51 -1.307 1.200 -10.735 1.00 0.00 C ATOM 824 C ASN A 51 -0.047 1.936 -11.191 1.00 0.00 C ATOM 825 O ASN A 51 0.362 1.804 -12.348 1.00 0.00 O ATOM 826 CB ASN A 51 -2.493 2.177 -10.726 1.00 0.00 C ATOM 827 CG ASN A 51 -2.577 2.942 -12.047 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.066 4.054 -12.166 1.00 0.00 O ATOM 829 ND2 ASN A 51 -3.192 2.368 -13.066 1.00 0.00 N ATOM 0 H ASN A 51 -1.748 0.939 -8.695 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.515 0.392 -11.437 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.420 1.629 -10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.385 2.880 -9.900 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.247 2.848 -13.964 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.612 1.445 -12.954 1.00 0.00 H new ATOM 836 N ALA A 52 0.576 2.699 -10.288 1.00 0.00 N ATOM 837 CA ALA A 52 1.795 3.432 -10.599 1.00 0.00 C ATOM 838 C ALA A 52 2.926 2.457 -10.893 1.00 0.00 C ATOM 839 O ALA A 52 3.651 2.642 -11.867 1.00 0.00 O ATOM 840 CB ALA A 52 2.165 4.361 -9.439 1.00 0.00 C ATOM 0 H ALA A 52 0.249 2.822 -9.330 1.00 0.00 H new ATOM 0 HA ALA A 52 1.627 4.044 -11.485 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.078 4.903 -9.684 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.356 5.071 -9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.325 3.771 -8.537 1.00 0.00 H new ATOM 846 N LEU A 53 3.051 1.403 -10.083 1.00 0.00 N ATOM 847 CA LEU A 53 4.070 0.383 -10.262 1.00 0.00 C ATOM 848 C LEU A 53 3.893 -0.330 -11.602 1.00 0.00 C ATOM 849 O LEU A 53 4.869 -0.465 -12.333 1.00 0.00 O ATOM 850 CB LEU A 53 4.020 -0.601 -9.082 1.00 0.00 C ATOM 851 CG LEU A 53 4.651 -0.062 -7.783 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.379 -1.061 -6.658 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.169 0.152 -7.885 1.00 0.00 C ATOM 0 H LEU A 53 2.441 1.238 -9.282 1.00 0.00 H new ATOM 0 HA LEU A 53 5.054 0.852 -10.278 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.980 -0.863 -8.886 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.532 -1.520 -9.368 1.00 0.00 H new ATOM 0 HG LEU A 53 4.200 0.911 -7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.820 -0.694 -5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.303 -1.178 -6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.820 -2.025 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.547 0.532 -6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.655 -0.796 -8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.383 0.872 -8.675 1.00 0.00 H new ATOM 865 N GLN A 54 2.682 -0.756 -11.970 1.00 0.00 N ATOM 866 CA GLN A 54 2.438 -1.439 -13.240 1.00 0.00 C ATOM 867 C GLN A 54 2.752 -0.517 -14.424 1.00 0.00 C ATOM 868 O GLN A 54 3.454 -0.923 -15.355 1.00 0.00 O ATOM 869 CB GLN A 54 0.987 -1.946 -13.302 1.00 0.00 C ATOM 870 CG GLN A 54 0.735 -3.158 -12.389 1.00 0.00 C ATOM 871 CD GLN A 54 1.554 -4.386 -12.795 1.00 0.00 C ATOM 872 OE1 GLN A 54 1.428 -4.904 -13.902 1.00 0.00 O ATOM 873 NE2 GLN A 54 2.424 -4.873 -11.924 1.00 0.00 N ATOM 0 H GLN A 54 1.847 -0.637 -11.397 1.00 0.00 H new ATOM 0 HA GLN A 54 3.104 -2.300 -13.305 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.313 -1.138 -13.018 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.746 -2.216 -14.330 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.977 -2.889 -11.361 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.325 -3.410 -12.412 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.524 -4.439 -11.006 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.994 -5.682 -12.171 1.00 0.00 H new ATOM 882 N SER A 55 2.304 0.740 -14.363 1.00 0.00 N ATOM 883 CA SER A 55 2.622 1.733 -15.384 1.00 0.00 C ATOM 884 C SER A 55 4.142 1.922 -15.490 1.00 0.00 C ATOM 885 O SER A 55 4.694 2.061 -16.584 1.00 0.00 O ATOM 886 CB SER A 55 1.935 3.060 -15.043 1.00 0.00 C ATOM 887 OG SER A 55 0.540 2.899 -14.830 1.00 0.00 O ATOM 0 H SER A 55 1.715 1.093 -13.609 1.00 0.00 H new ATOM 0 HA SER A 55 2.256 1.384 -16.349 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.391 3.485 -14.149 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.098 3.771 -15.853 1.00 0.00 H new ATOM 0 HG SER A 55 0.383 2.578 -13.917 1.00 0.00 H new ATOM 893 N PHE A 56 4.840 1.881 -14.355 1.00 0.00 N ATOM 894 CA PHE A 56 6.279 1.978 -14.322 1.00 0.00 C ATOM 895 C PHE A 56 6.946 0.713 -14.880 1.00 0.00 C ATOM 896 O PHE A 56 7.985 0.862 -15.513 1.00 0.00 O ATOM 897 CB PHE A 56 6.736 2.361 -12.910 1.00 0.00 C ATOM 898 CG PHE A 56 8.214 2.662 -12.773 1.00 0.00 C ATOM 899 CD1 PHE A 56 8.816 3.624 -13.607 1.00 0.00 C ATOM 900 CD2 PHE A 56 8.981 2.022 -11.778 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.186 3.899 -13.476 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.345 2.317 -11.635 1.00 0.00 C ATOM 903 CZ PHE A 56 10.945 3.253 -12.488 1.00 0.00 C ATOM 0 H PHE A 56 4.411 1.779 -13.435 1.00 0.00 H new ATOM 0 HA PHE A 56 6.608 2.776 -14.987 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.171 3.236 -12.587 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.482 1.548 -12.230 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.226 4.148 -14.344 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.516 1.301 -11.122 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.658 4.610 -14.138 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.930 1.825 -10.872 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.996 3.478 -12.385 1.00 0.00 H new ATOM 913 N VAL A 57 6.358 -0.493 -14.783 1.00 0.00 N ATOM 914 CA VAL A 57 6.872 -1.635 -15.548 1.00 0.00 C ATOM 915 C VAL A 57 6.731 -1.330 -17.037 1.00 0.00 C ATOM 916 O VAL A 57 7.676 -1.569 -17.782 1.00 0.00 O ATOM 917 CB VAL A 57 6.197 -2.992 -15.236 1.00 0.00 C ATOM 918 CG1 VAL A 57 6.996 -4.143 -15.872 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.090 -3.291 -13.740 1.00 0.00 C ATOM 0 H VAL A 57 5.548 -0.696 -14.198 1.00 0.00 H new ATOM 0 HA VAL A 57 7.913 -1.755 -15.249 1.00 0.00 H new ATOM 0 HB VAL A 57 5.191 -2.916 -15.649 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.510 -5.092 -15.645 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.035 -4.005 -16.953 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.009 -4.148 -15.470 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.607 -4.257 -13.596 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.088 -3.315 -13.301 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.499 -2.514 -13.255 1.00 0.00 H new ATOM 929 N GLU A 58 5.590 -0.790 -17.484 1.00 0.00 N ATOM 930 CA GLU A 58 5.391 -0.486 -18.898 1.00 0.00 C ATOM 931 C GLU A 58 6.432 0.525 -19.399 1.00 0.00 C ATOM 932 O GLU A 58 6.901 0.403 -20.532 1.00 0.00 O ATOM 933 CB GLU A 58 3.955 -0.015 -19.185 1.00 0.00 C ATOM 934 CG GLU A 58 2.925 -1.134 -18.974 1.00 0.00 C ATOM 935 CD GLU A 58 1.509 -0.678 -19.369 1.00 0.00 C ATOM 936 OE1 GLU A 58 0.770 -0.143 -18.512 1.00 0.00 O ATOM 937 OE2 GLU A 58 1.111 -0.867 -20.542 1.00 0.00 O ATOM 0 H GLU A 58 4.797 -0.557 -16.886 1.00 0.00 H new ATOM 0 HA GLU A 58 5.537 -1.411 -19.455 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.714 0.826 -18.535 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.891 0.347 -20.211 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.206 -2.005 -19.566 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.931 -1.443 -17.929 1.00 0.00 H new ATOM 944 N ALA A 59 6.844 1.482 -18.557 1.00 0.00 N ATOM 945 CA ALA A 59 7.973 2.352 -18.858 1.00 0.00 C ATOM 946 C ALA A 59 9.297 1.571 -18.882 1.00 0.00 C ATOM 947 O ALA A 59 10.026 1.618 -19.872 1.00 0.00 O ATOM 948 CB ALA A 59 8.033 3.509 -17.852 1.00 0.00 C ATOM 0 H ALA A 59 6.403 1.669 -17.656 1.00 0.00 H new ATOM 0 HA ALA A 59 7.825 2.766 -19.856 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.881 4.152 -18.087 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.111 4.088 -17.908 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.149 3.110 -16.845 1.00 0.00 H new ATOM 954 N VAL A 60 9.618 0.846 -17.807 1.00 0.00 N ATOM 955 CA VAL A 60 10.900 0.173 -17.609 1.00 0.00 C ATOM 956 C VAL A 60 11.159 -0.860 -18.708 1.00 0.00 C ATOM 957 O VAL A 60 12.272 -0.919 -19.233 1.00 0.00 O ATOM 958 CB VAL A 60 10.918 -0.434 -16.184 1.00 0.00 C ATOM 959 CG1 VAL A 60 11.954 -1.546 -15.972 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.182 0.675 -15.152 1.00 0.00 C ATOM 0 H VAL A 60 8.973 0.708 -17.029 1.00 0.00 H new ATOM 0 HA VAL A 60 11.720 0.887 -17.687 1.00 0.00 H new ATOM 0 HB VAL A 60 9.937 -0.890 -16.054 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.893 -1.910 -14.946 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.753 -2.367 -16.661 1.00 0.00 H new ATOM 0 HG13 VAL A 60 12.953 -1.153 -16.158 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.194 0.245 -14.151 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.145 1.142 -15.358 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.394 1.426 -15.215 1.00 0.00 H new ATOM 970 N LYS A 61 10.156 -1.655 -19.093 1.00 0.00 N ATOM 971 CA LYS A 61 10.332 -2.744 -20.051 1.00 0.00 C ATOM 972 C LYS A 61 10.733 -2.242 -21.443 1.00 0.00 C ATOM 973 O LYS A 61 11.275 -3.017 -22.230 1.00 0.00 O ATOM 974 CB LYS A 61 9.085 -3.653 -20.067 1.00 0.00 C ATOM 975 CG LYS A 61 7.864 -3.064 -20.795 1.00 0.00 C ATOM 976 CD LYS A 61 6.692 -4.056 -20.785 1.00 0.00 C ATOM 977 CE LYS A 61 5.535 -3.535 -21.651 1.00 0.00 C ATOM 978 NZ LYS A 61 4.394 -4.485 -21.694 1.00 0.00 N ATOM 0 H LYS A 61 9.201 -1.560 -18.748 1.00 0.00 H new ATOM 0 HA LYS A 61 11.173 -3.354 -19.720 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.349 -4.600 -20.538 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.803 -3.877 -19.038 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.563 -2.133 -20.314 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.131 -2.820 -21.823 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.025 -5.024 -21.158 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.347 -4.210 -19.762 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.193 -2.577 -21.259 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.894 -3.355 -22.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.637 -4.092 -22.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.712 -5.392 -22.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.033 -4.637 -20.731 1.00 0.00 H new ATOM 992 N ASN A 62 10.490 -0.962 -21.755 1.00 0.00 N ATOM 993 CA ASN A 62 10.934 -0.350 -23.006 1.00 0.00 C ATOM 994 C ASN A 62 12.457 -0.166 -23.044 1.00 0.00 C ATOM 995 O ASN A 62 13.039 -0.128 -24.128 1.00 0.00 O ATOM 996 CB ASN A 62 10.263 1.021 -23.177 1.00 0.00 C ATOM 997 CG ASN A 62 10.607 1.655 -24.523 1.00 0.00 C ATOM 998 OD1 ASN A 62 10.082 1.259 -25.561 1.00 0.00 O ATOM 999 ND2 ASN A 62 11.472 2.654 -24.535 1.00 0.00 N ATOM 0 H ASN A 62 9.979 -0.325 -21.144 1.00 0.00 H new ATOM 0 HA ASN A 62 10.650 -1.020 -23.818 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.182 0.910 -23.093 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.579 1.684 -22.371 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.713 3.109 -25.415 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.898 2.970 -23.664 1.00 0.00 H new ATOM 1006 N GLY A 63 13.105 -0.023 -21.882 1.00 0.00 N ATOM 1007 CA GLY A 63 14.382 0.673 -21.791 1.00 0.00 C ATOM 1008 C GLY A 63 14.163 2.177 -22.015 1.00 0.00 C ATOM 1009 O GLY A 63 13.023 2.627 -22.170 1.00 0.00 O ATOM 0 H GLY A 63 12.760 -0.383 -20.992 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.833 0.502 -20.813 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.076 0.281 -22.535 1.00 0.00 H new ATOM 1013 N SER A 64 15.231 2.969 -22.082 1.00 0.00 N ATOM 1014 CA SER A 64 15.138 4.257 -22.759 1.00 0.00 C ATOM 1015 C SER A 64 14.831 3.993 -24.245 1.00 0.00 C ATOM 1016 O SER A 64 15.181 2.927 -24.757 1.00 0.00 O ATOM 1017 CB SER A 64 16.461 5.025 -22.644 1.00 0.00 C ATOM 1018 OG SER A 64 16.929 5.068 -21.311 1.00 0.00 O ATOM 0 H SER A 64 16.146 2.749 -21.688 1.00 0.00 H new ATOM 0 HA SER A 64 14.352 4.856 -22.299 1.00 0.00 H new ATOM 0 HB2 SER A 64 17.212 4.553 -23.278 1.00 0.00 H new ATOM 0 HB3 SER A 64 16.325 6.041 -23.014 1.00 0.00 H new ATOM 0 HG SER A 64 17.774 5.564 -21.277 1.00 0.00 H new ATOM 1024 N PRO A 65 14.267 4.957 -24.990 1.00 0.00 N ATOM 1025 CA PRO A 65 14.219 4.915 -26.450 1.00 0.00 C ATOM 1026 C PRO A 65 15.564 4.553 -27.110 1.00 0.00 C ATOM 1027 O PRO A 65 15.581 3.877 -28.140 1.00 0.00 O ATOM 1028 CB PRO A 65 13.734 6.307 -26.867 1.00 0.00 C ATOM 1029 CG PRO A 65 12.853 6.733 -25.691 1.00 0.00 C ATOM 1030 CD PRO A 65 13.545 6.109 -24.478 1.00 0.00 C ATOM 0 HA PRO A 65 13.553 4.121 -26.788 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.566 6.995 -27.018 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.173 6.276 -27.801 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.796 7.818 -25.606 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.832 6.368 -25.802 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.224 6.819 -24.006 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.818 5.812 -23.722 1.00 0.00 H new ATOM 1038 N PHE A 66 16.689 4.977 -26.516 1.00 0.00 N ATOM 1039 CA PHE A 66 18.036 4.680 -27.003 1.00 0.00 C ATOM 1040 C PHE A 66 18.527 3.279 -26.606 1.00 0.00 C ATOM 1041 O PHE A 66 19.473 2.773 -27.215 1.00 0.00 O ATOM 1042 CB PHE A 66 19.012 5.736 -26.461 1.00 0.00 C ATOM 1043 CG PHE A 66 18.620 7.171 -26.769 1.00 0.00 C ATOM 1044 CD1 PHE A 66 18.675 7.649 -28.094 1.00 0.00 C ATOM 1045 CD2 PHE A 66 18.178 8.026 -25.739 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.289 8.969 -28.386 1.00 0.00 C ATOM 1047 CE2 PHE A 66 17.792 9.347 -26.033 1.00 0.00 C ATOM 1048 CZ PHE A 66 17.846 9.818 -27.356 1.00 0.00 C ATOM 0 H PHE A 66 16.684 5.546 -25.669 1.00 0.00 H new ATOM 0 HA PHE A 66 17.997 4.705 -28.092 1.00 0.00 H new ATOM 0 HB2 PHE A 66 19.092 5.618 -25.380 1.00 0.00 H new ATOM 0 HB3 PHE A 66 20.002 5.546 -26.877 1.00 0.00 H new ATOM 0 HD1 PHE A 66 19.015 6.999 -28.887 1.00 0.00 H new ATOM 0 HD2 PHE A 66 18.135 7.666 -24.722 1.00 0.00 H new ATOM 0 HE1 PHE A 66 18.333 9.331 -29.402 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.454 9.999 -25.241 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.548 10.831 -27.582 1.00 0.00 H new ATOM 1058 N SER A 67 17.936 2.651 -25.589 1.00 0.00 N ATOM 1059 CA SER A 67 18.349 1.346 -25.091 1.00 0.00 C ATOM 1060 C SER A 67 17.996 0.222 -26.067 1.00 0.00 C ATOM 1061 O SER A 67 17.254 0.413 -27.034 1.00 0.00 O ATOM 1062 CB SER A 67 17.662 1.079 -23.745 1.00 0.00 C ATOM 1063 OG SER A 67 17.906 2.125 -22.823 1.00 0.00 O ATOM 0 H SER A 67 17.143 3.045 -25.082 1.00 0.00 H new ATOM 0 HA SER A 67 19.433 1.360 -24.975 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.588 0.970 -23.898 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.022 0.137 -23.332 1.00 0.00 H new ATOM 0 HG SER A 67 17.900 1.766 -21.911 1.00 0.00 H new ATOM 1069 N LYS A 68 18.476 -0.983 -25.749 1.00 0.00 N ATOM 1070 CA LYS A 68 17.970 -2.228 -26.314 1.00 0.00 C ATOM 1071 C LYS A 68 17.926 -3.224 -25.168 1.00 0.00 C ATOM 1072 O LYS A 68 18.962 -3.796 -24.842 1.00 0.00 O ATOM 1073 CB LYS A 68 18.858 -2.713 -27.476 1.00 0.00 C ATOM 1074 CG LYS A 68 18.229 -3.925 -28.186 1.00 0.00 C ATOM 1075 CD LYS A 68 19.215 -4.577 -29.168 1.00 0.00 C ATOM 1076 CE LYS A 68 18.520 -5.507 -30.177 1.00 0.00 C ATOM 1077 NZ LYS A 68 17.915 -6.714 -29.556 1.00 0.00 N ATOM 0 H LYS A 68 19.237 -1.119 -25.083 1.00 0.00 H new ATOM 0 HA LYS A 68 16.977 -2.099 -26.745 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.001 -1.903 -28.191 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.844 -2.981 -27.097 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.914 -4.659 -27.444 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.334 -3.610 -28.723 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.752 -3.798 -29.709 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.957 -5.145 -28.608 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.742 -4.948 -30.697 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.245 -5.820 -30.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.465 -7.295 -30.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.656 -7.269 -29.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.200 -6.424 -28.858 1.00 0.00 H new ATOM 1091 N VAL A 69 16.774 -3.383 -24.518 1.00 0.00 N ATOM 1092 CA VAL A 69 16.581 -4.455 -23.545 1.00 0.00 C ATOM 1093 C VAL A 69 16.728 -5.781 -24.301 1.00 0.00 C ATOM 1094 O VAL A 69 16.162 -5.937 -25.387 1.00 0.00 O ATOM 1095 CB VAL A 69 15.203 -4.321 -22.853 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.949 -5.459 -21.849 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.085 -2.972 -22.120 1.00 0.00 C ATOM 0 H VAL A 69 15.960 -2.782 -24.648 1.00 0.00 H new ATOM 0 HA VAL A 69 17.323 -4.406 -22.748 1.00 0.00 H new ATOM 0 HB VAL A 69 14.453 -4.379 -23.641 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.971 -5.325 -21.387 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.976 -6.416 -22.370 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.720 -5.443 -21.078 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.108 -2.902 -21.642 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.866 -2.900 -21.363 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.198 -2.158 -22.836 1.00 0.00 H new ATOM 1107 N THR A 70 17.459 -6.734 -23.728 1.00 0.00 N ATOM 1108 CA THR A 70 17.654 -8.064 -24.292 1.00 0.00 C ATOM 1109 C THR A 70 17.043 -9.138 -23.381 1.00 0.00 C ATOM 1110 O THR A 70 16.652 -10.197 -23.875 1.00 0.00 O ATOM 1111 CB THR A 70 19.153 -8.289 -24.557 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.900 -8.011 -23.388 1.00 0.00 O ATOM 1113 CG2 THR A 70 19.667 -7.372 -25.677 1.00 0.00 C ATOM 0 H THR A 70 17.942 -6.599 -22.840 1.00 0.00 H new ATOM 0 HA THR A 70 17.132 -8.143 -25.246 1.00 0.00 H new ATOM 0 HB THR A 70 19.277 -9.330 -24.855 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.852 -8.158 -23.566 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.729 -7.556 -25.839 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.118 -7.578 -26.596 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.519 -6.331 -25.391 1.00 0.00 H new ATOM 1121 N ASP A 71 16.882 -8.864 -22.079 1.00 0.00 N ATOM 1122 CA ASP A 71 16.173 -9.722 -21.131 1.00 0.00 C ATOM 1123 C ASP A 71 15.747 -8.881 -19.925 1.00 0.00 C ATOM 1124 O ASP A 71 16.424 -7.911 -19.582 1.00 0.00 O ATOM 1125 CB ASP A 71 17.082 -10.869 -20.666 1.00 0.00 C ATOM 1126 CG ASP A 71 16.375 -11.754 -19.631 1.00 0.00 C ATOM 1127 OD1 ASP A 71 15.445 -12.501 -20.007 1.00 0.00 O ATOM 1128 OD2 ASP A 71 16.762 -11.692 -18.445 1.00 0.00 O ATOM 0 H ASP A 71 17.252 -8.016 -21.649 1.00 0.00 H new ATOM 0 HA ASP A 71 15.296 -10.150 -21.617 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.377 -11.473 -21.524 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.996 -10.460 -20.235 1.00 0.00 H new ATOM 1133 N ILE A 72 14.648 -9.249 -19.266 1.00 0.00 N ATOM 1134 CA ILE A 72 14.126 -8.576 -18.082 1.00 0.00 C ATOM 1135 C ILE A 72 13.533 -9.632 -17.132 1.00 0.00 C ATOM 1136 O ILE A 72 12.937 -10.614 -17.591 1.00 0.00 O ATOM 1137 CB ILE A 72 13.132 -7.463 -18.511 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.546 -6.730 -17.283 1.00 0.00 C ATOM 1139 CG2 ILE A 72 12.011 -7.971 -19.444 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.843 -5.410 -17.633 1.00 0.00 C ATOM 0 H ILE A 72 14.081 -10.048 -19.552 1.00 0.00 H new ATOM 0 HA ILE A 72 14.914 -8.068 -17.526 1.00 0.00 H new ATOM 0 HB ILE A 72 13.713 -6.749 -19.094 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.836 -7.388 -16.782 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.349 -6.528 -16.574 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.352 -7.143 -19.705 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.452 -8.384 -20.351 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.437 -8.745 -18.935 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.457 -4.951 -16.723 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.554 -4.733 -18.107 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.018 -5.607 -18.318 1.00 0.00 H new ATOM 1152 N SER A 73 13.683 -9.419 -15.822 1.00 0.00 N ATOM 1153 CA SER A 73 13.254 -10.314 -14.747 1.00 0.00 C ATOM 1154 C SER A 73 12.721 -9.476 -13.578 1.00 0.00 C ATOM 1155 O SER A 73 13.042 -8.290 -13.477 1.00 0.00 O ATOM 1156 CB SER A 73 14.443 -11.172 -14.283 1.00 0.00 C ATOM 1157 OG SER A 73 15.000 -11.920 -15.351 1.00 0.00 O ATOM 0 H SER A 73 14.130 -8.574 -15.466 1.00 0.00 H new ATOM 0 HA SER A 73 12.465 -10.973 -15.108 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.209 -10.528 -13.851 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.116 -11.851 -13.495 1.00 0.00 H new ATOM 0 HG SER A 73 15.754 -12.452 -15.020 1.00 0.00 H new ATOM 1163 N VAL A 74 11.918 -10.076 -12.692 1.00 0.00 N ATOM 1164 CA VAL A 74 11.166 -9.370 -11.653 1.00 0.00 C ATOM 1165 C VAL A 74 11.222 -10.176 -10.344 1.00 0.00 C ATOM 1166 O VAL A 74 11.244 -11.410 -10.361 1.00 0.00 O ATOM 1167 CB VAL A 74 9.707 -9.137 -12.134 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.878 -8.321 -11.129 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.642 -8.423 -13.497 1.00 0.00 C ATOM 0 H VAL A 74 11.771 -11.085 -12.678 1.00 0.00 H new ATOM 0 HA VAL A 74 11.610 -8.393 -11.461 1.00 0.00 H new ATOM 0 HB VAL A 74 9.284 -10.137 -12.227 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.867 -8.188 -11.515 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.836 -8.850 -10.177 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.342 -7.346 -10.982 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.600 -8.285 -13.786 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.130 -7.451 -13.422 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.150 -9.027 -14.249 1.00 0.00 H new ATOM 1179 N THR A 75 11.206 -9.464 -9.218 1.00 0.00 N ATOM 1180 CA THR A 75 10.986 -9.956 -7.862 1.00 0.00 C ATOM 1181 C THR A 75 9.859 -9.073 -7.294 1.00 0.00 C ATOM 1182 O THR A 75 9.814 -7.882 -7.608 1.00 0.00 O ATOM 1183 CB THR A 75 12.276 -9.802 -7.020 1.00 0.00 C ATOM 1184 OG1 THR A 75 13.477 -9.898 -7.778 1.00 0.00 O ATOM 1185 CG2 THR A 75 12.356 -10.832 -5.894 1.00 0.00 C ATOM 0 H THR A 75 11.358 -8.455 -9.233 1.00 0.00 H new ATOM 0 HA THR A 75 10.722 -11.013 -7.845 1.00 0.00 H new ATOM 0 HB THR A 75 12.201 -8.794 -6.613 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.600 -10.822 -8.081 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.278 -10.685 -5.331 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.501 -10.711 -5.229 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.346 -11.836 -6.318 1.00 0.00 H new ATOM 1193 N GLU A 76 8.964 -9.601 -6.460 1.00 0.00 N ATOM 1194 CA GLU A 76 7.852 -8.840 -5.881 1.00 0.00 C ATOM 1195 C GLU A 76 7.895 -9.024 -4.365 1.00 0.00 C ATOM 1196 O GLU A 76 8.188 -10.126 -3.884 1.00 0.00 O ATOM 1197 CB GLU A 76 6.509 -9.303 -6.465 1.00 0.00 C ATOM 1198 CG GLU A 76 6.374 -8.981 -7.959 1.00 0.00 C ATOM 1199 CD GLU A 76 4.996 -9.400 -8.502 1.00 0.00 C ATOM 1200 OE1 GLU A 76 4.844 -10.555 -8.964 1.00 0.00 O ATOM 1201 OE2 GLU A 76 4.053 -8.578 -8.487 1.00 0.00 O ATOM 0 H GLU A 76 8.988 -10.577 -6.163 1.00 0.00 H new ATOM 0 HA GLU A 76 7.951 -7.782 -6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.404 -10.378 -6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.695 -8.825 -5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.519 -7.912 -8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.158 -9.495 -8.516 1.00 0.00 H new ATOM 1208 N SER A 77 7.635 -7.949 -3.617 1.00 0.00 N ATOM 1209 CA SER A 77 8.043 -7.833 -2.222 1.00 0.00 C ATOM 1210 C SER A 77 7.070 -6.937 -1.448 1.00 0.00 C ATOM 1211 O SER A 77 6.289 -6.190 -2.038 1.00 0.00 O ATOM 1212 CB SER A 77 9.457 -7.223 -2.180 1.00 0.00 C ATOM 1213 OG SER A 77 10.390 -7.954 -2.966 1.00 0.00 O ATOM 0 H SER A 77 7.133 -7.133 -3.967 1.00 0.00 H new ATOM 0 HA SER A 77 8.040 -8.819 -1.758 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.416 -6.193 -2.535 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.804 -7.190 -1.147 1.00 0.00 H new ATOM 0 HG SER A 77 11.271 -7.528 -2.909 1.00 0.00 H new ATOM 1219 N ARG A 78 7.149 -6.975 -0.114 1.00 0.00 N ATOM 1220 CA ARG A 78 6.483 -6.028 0.792 1.00 0.00 C ATOM 1221 C ARG A 78 7.458 -5.625 1.912 1.00 0.00 C ATOM 1222 O ARG A 78 7.047 -5.257 3.012 1.00 0.00 O ATOM 1223 CB ARG A 78 5.164 -6.630 1.328 1.00 0.00 C ATOM 1224 CG ARG A 78 4.077 -6.712 0.246 1.00 0.00 C ATOM 1225 CD ARG A 78 2.751 -7.230 0.815 1.00 0.00 C ATOM 1226 NE ARG A 78 1.669 -7.172 -0.186 1.00 0.00 N ATOM 1227 CZ ARG A 78 1.425 -8.068 -1.155 1.00 0.00 C ATOM 1228 NH1 ARG A 78 2.194 -9.145 -1.299 1.00 0.00 N ATOM 1229 NH2 ARG A 78 0.404 -7.875 -1.984 1.00 0.00 N ATOM 0 H ARG A 78 7.692 -7.683 0.380 1.00 0.00 H new ATOM 0 HA ARG A 78 6.209 -5.121 0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.357 -7.628 1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.802 -6.024 2.158 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.925 -5.726 -0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.411 -7.370 -0.557 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.878 -8.258 1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.473 -6.638 1.687 1.00 0.00 H new ATOM 0 HE ARG A 78 1.042 -6.369 -0.137 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.981 -9.298 -0.668 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.996 -9.817 -2.040 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.188 -7.050 -1.881 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.212 -8.551 -2.723 1.00 0.00 H new ATOM 1243 N SER A 79 8.762 -5.712 1.649 1.00 0.00 N ATOM 1244 CA SER A 79 9.855 -5.378 2.554 1.00 0.00 C ATOM 1245 C SER A 79 10.132 -3.872 2.424 1.00 0.00 C ATOM 1246 O SER A 79 11.206 -3.459 1.980 1.00 0.00 O ATOM 1247 CB SER A 79 11.070 -6.245 2.186 1.00 0.00 C ATOM 1248 OG SER A 79 10.718 -7.623 2.125 1.00 0.00 O ATOM 0 H SER A 79 9.101 -6.037 0.744 1.00 0.00 H new ATOM 0 HA SER A 79 9.611 -5.584 3.596 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.470 -5.926 1.224 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.860 -6.101 2.923 1.00 0.00 H new ATOM 0 HG SER A 79 11.508 -8.152 1.887 1.00 0.00 H new ATOM 1254 N LEU A 80 9.095 -3.067 2.686 1.00 0.00 N ATOM 1255 CA LEU A 80 8.964 -1.683 2.235 1.00 0.00 C ATOM 1256 C LEU A 80 10.193 -0.831 2.574 1.00 0.00 C ATOM 1257 O LEU A 80 10.760 -0.934 3.665 1.00 0.00 O ATOM 1258 CB LEU A 80 7.685 -1.049 2.811 1.00 0.00 C ATOM 1259 CG LEU A 80 6.363 -1.759 2.447 1.00 0.00 C ATOM 1260 CD1 LEU A 80 5.176 -0.898 2.889 1.00 0.00 C ATOM 1261 CD2 LEU A 80 6.225 -2.081 0.951 1.00 0.00 C ATOM 0 H LEU A 80 8.296 -3.377 3.239 1.00 0.00 H new ATOM 0 HA LEU A 80 8.892 -1.708 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.773 -1.020 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.628 -0.016 2.468 1.00 0.00 H new ATOM 0 HG LEU A 80 6.373 -2.713 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.245 -1.402 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.219 -0.745 3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.218 0.067 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.272 -2.579 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.265 -1.157 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.040 -2.736 0.643 1.00 0.00 H new ATOM 1273 N GLU A 81 10.566 0.039 1.638 1.00 0.00 N ATOM 1274 CA GLU A 81 11.595 1.053 1.812 1.00 0.00 C ATOM 1275 C GLU A 81 11.071 2.161 2.732 1.00 0.00 C ATOM 1276 O GLU A 81 11.844 2.754 3.486 1.00 0.00 O ATOM 1277 CB GLU A 81 11.958 1.678 0.447 1.00 0.00 C ATOM 1278 CG GLU A 81 12.515 0.699 -0.598 1.00 0.00 C ATOM 1279 CD GLU A 81 13.766 -0.041 -0.089 1.00 0.00 C ATOM 1280 OE1 GLU A 81 14.796 0.617 0.183 1.00 0.00 O ATOM 1281 OE2 GLU A 81 13.726 -1.283 0.042 1.00 0.00 O ATOM 0 H GLU A 81 10.145 0.055 0.709 1.00 0.00 H new ATOM 0 HA GLU A 81 12.478 0.586 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.068 2.154 0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.694 2.465 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.746 -0.028 -0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.762 1.244 -1.509 1.00 0.00 H new ATOM 1288 N GLY A 82 9.772 2.476 2.646 1.00 0.00 N ATOM 1289 CA GLY A 82 9.151 3.599 3.344 1.00 0.00 C ATOM 1290 C GLY A 82 9.742 4.957 2.938 1.00 0.00 C ATOM 1291 O GLY A 82 9.575 5.941 3.663 1.00 0.00 O ATOM 0 H GLY A 82 9.114 1.944 2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.080 3.599 3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.271 3.463 4.419 1.00 0.00 H new ATOM 1295 N HIS A 83 10.472 5.011 1.818 1.00 0.00 N ATOM 1296 CA HIS A 83 11.120 6.211 1.307 1.00 0.00 C ATOM 1297 C HIS A 83 10.092 7.122 0.618 1.00 0.00 C ATOM 1298 O HIS A 83 8.960 6.715 0.342 1.00 0.00 O ATOM 1299 CB HIS A 83 12.252 5.797 0.344 1.00 0.00 C ATOM 1300 CG HIS A 83 13.524 5.351 1.033 1.00 0.00 C ATOM 1301 ND1 HIS A 83 13.641 4.578 2.169 1.00 0.00 N ATOM 1302 CD2 HIS A 83 14.798 5.660 0.631 1.00 0.00 C ATOM 1303 CE1 HIS A 83 14.947 4.424 2.439 1.00 0.00 C ATOM 1304 NE2 HIS A 83 15.699 5.072 1.529 1.00 0.00 N ATOM 0 H HIS A 83 10.629 4.193 1.229 1.00 0.00 H new ATOM 0 HA HIS A 83 11.553 6.780 2.129 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.894 4.987 -0.292 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.483 6.638 -0.310 1.00 0.00 H new ATOM 0 HD1 HIS A 83 12.869 4.190 2.711 1.00 0.00 H new ATOM 0 HD2 HIS A 83 15.062 6.255 -0.231 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.340 3.859 3.271 1.00 0.00 H new ATOM 1312 N HIS A 84 10.517 8.348 0.298 1.00 0.00 N ATOM 1313 CA HIS A 84 9.705 9.386 -0.344 1.00 0.00 C ATOM 1314 C HIS A 84 10.413 9.974 -1.579 1.00 0.00 C ATOM 1315 O HIS A 84 9.987 11.003 -2.108 1.00 0.00 O ATOM 1316 CB HIS A 84 9.381 10.468 0.701 1.00 0.00 C ATOM 1317 CG HIS A 84 10.605 11.152 1.268 1.00 0.00 C ATOM 1318 ND1 HIS A 84 11.271 10.812 2.427 1.00 0.00 N ATOM 1319 CD2 HIS A 84 11.286 12.202 0.709 1.00 0.00 C ATOM 1320 CE1 HIS A 84 12.324 11.634 2.560 1.00 0.00 C ATOM 1321 NE2 HIS A 84 12.383 12.498 1.528 1.00 0.00 N ATOM 0 H HIS A 84 11.471 8.656 0.486 1.00 0.00 H new ATOM 0 HA HIS A 84 8.775 8.950 -0.709 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.735 11.218 0.246 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.818 10.015 1.517 1.00 0.00 H new ATOM 0 HD1 HIS A 84 11.009 10.066 3.071 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.022 12.713 -0.205 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.026 11.606 3.380 1.00 0.00 H new ATOM 1329 N ARG A 85 11.515 9.359 -2.025 1.00 0.00 N ATOM 1330 CA ARG A 85 12.375 9.833 -3.106 1.00 0.00 C ATOM 1331 C ARG A 85 12.962 8.627 -3.835 1.00 0.00 C ATOM 1332 O ARG A 85 12.835 7.497 -3.354 1.00 0.00 O ATOM 1333 CB ARG A 85 13.471 10.756 -2.529 1.00 0.00 C ATOM 1334 CG ARG A 85 14.408 10.062 -1.519 1.00 0.00 C ATOM 1335 CD ARG A 85 15.476 11.018 -0.977 1.00 0.00 C ATOM 1336 NE ARG A 85 14.897 12.081 -0.133 1.00 0.00 N ATOM 1337 CZ ARG A 85 15.475 13.244 0.185 1.00 0.00 C ATOM 1338 NH1 ARG A 85 16.691 13.551 -0.258 1.00 0.00 N ATOM 1339 NH2 ARG A 85 14.811 14.094 0.959 1.00 0.00 N ATOM 0 H ARG A 85 11.842 8.481 -1.623 1.00 0.00 H new ATOM 0 HA ARG A 85 11.803 10.418 -3.826 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.068 11.151 -3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.995 11.607 -2.042 1.00 0.00 H new ATOM 0 HG2 ARG A 85 13.820 9.668 -0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.892 9.212 -1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.206 10.453 -0.397 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.013 11.471 -1.811 1.00 0.00 H new ATOM 0 HE ARG A 85 13.965 11.912 0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.199 12.894 -0.851 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.116 14.443 -0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.880 13.854 1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.232 14.987 1.214 1.00 0.00 H new ATOM 1353 N PHE A 86 13.621 8.858 -4.966 1.00 0.00 N ATOM 1354 CA PHE A 86 14.236 7.814 -5.771 1.00 0.00 C ATOM 1355 C PHE A 86 15.727 8.137 -5.897 1.00 0.00 C ATOM 1356 O PHE A 86 16.090 9.314 -5.981 1.00 0.00 O ATOM 1357 CB PHE A 86 13.526 7.726 -7.134 1.00 0.00 C ATOM 1358 CG PHE A 86 13.447 6.321 -7.699 1.00 0.00 C ATOM 1359 CD1 PHE A 86 14.550 5.735 -8.348 1.00 0.00 C ATOM 1360 CD2 PHE A 86 12.251 5.589 -7.569 1.00 0.00 C ATOM 1361 CE1 PHE A 86 14.449 4.435 -8.870 1.00 0.00 C ATOM 1362 CE2 PHE A 86 12.159 4.281 -8.075 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.261 3.701 -8.726 1.00 0.00 C ATOM 0 H PHE A 86 13.744 9.793 -5.354 1.00 0.00 H new ATOM 0 HA PHE A 86 14.135 6.834 -5.305 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.516 8.123 -7.032 1.00 0.00 H new ATOM 0 HB3 PHE A 86 14.049 8.364 -7.846 1.00 0.00 H new ATOM 0 HD1 PHE A 86 15.474 6.285 -8.445 1.00 0.00 H new ATOM 0 HD2 PHE A 86 11.399 6.035 -7.077 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.291 3.997 -9.386 1.00 0.00 H new ATOM 0 HE2 PHE A 86 11.242 3.722 -7.964 1.00 0.00 H new ATOM 0 HZ PHE A 86 13.194 2.695 -9.114 1.00 0.00 H new ATOM 1373 N SER A 87 16.582 7.114 -5.925 1.00 0.00 N ATOM 1374 CA SER A 87 18.030 7.271 -5.800 1.00 0.00 C ATOM 1375 C SER A 87 18.758 6.525 -6.921 1.00 0.00 C ATOM 1376 O SER A 87 18.242 5.547 -7.461 1.00 0.00 O ATOM 1377 CB SER A 87 18.462 6.753 -4.419 1.00 0.00 C ATOM 1378 OG SER A 87 17.747 7.417 -3.385 1.00 0.00 O ATOM 0 H SER A 87 16.285 6.144 -6.036 1.00 0.00 H new ATOM 0 HA SER A 87 18.294 8.324 -5.891 1.00 0.00 H new ATOM 0 HB2 SER A 87 18.286 5.679 -4.357 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.532 6.909 -4.285 1.00 0.00 H new ATOM 0 HG SER A 87 18.035 7.072 -2.514 1.00 0.00 H new ATOM 1384 N ILE A 88 19.959 6.989 -7.271 1.00 0.00 N ATOM 1385 CA ILE A 88 20.862 6.326 -8.211 1.00 0.00 C ATOM 1386 C ILE A 88 22.086 5.939 -7.383 1.00 0.00 C ATOM 1387 O ILE A 88 22.591 6.762 -6.614 1.00 0.00 O ATOM 1388 CB ILE A 88 21.226 7.239 -9.414 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.959 7.861 -10.042 1.00 0.00 C ATOM 1390 CG2 ILE A 88 22.034 6.451 -10.462 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.125 8.599 -11.376 1.00 0.00 C ATOM 0 H ILE A 88 20.340 7.859 -6.898 1.00 0.00 H new ATOM 0 HA ILE A 88 20.398 5.451 -8.667 1.00 0.00 H new ATOM 0 HB ILE A 88 21.847 8.056 -9.047 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.228 7.065 -10.185 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.533 8.559 -9.321 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.281 7.105 -11.298 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.953 6.079 -10.009 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.441 5.610 -10.822 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.159 8.984 -11.701 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.822 9.427 -11.249 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.512 7.910 -12.127 1.00 0.00 H new ATOM 1403 N VAL A 89 22.556 4.700 -7.525 1.00 0.00 N ATOM 1404 CA VAL A 89 23.664 4.158 -6.746 1.00 0.00 C ATOM 1405 C VAL A 89 24.625 3.478 -7.729 1.00 0.00 C ATOM 1406 O VAL A 89 24.193 2.913 -8.737 1.00 0.00 O ATOM 1407 CB VAL A 89 23.118 3.210 -5.646 1.00 0.00 C ATOM 1408 CG1 VAL A 89 24.225 2.769 -4.680 1.00 0.00 C ATOM 1409 CG2 VAL A 89 21.986 3.845 -4.814 1.00 0.00 C ATOM 0 H VAL A 89 22.170 4.036 -8.196 1.00 0.00 H new ATOM 0 HA VAL A 89 24.215 4.935 -6.216 1.00 0.00 H new ATOM 0 HB VAL A 89 22.721 2.350 -6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 89 23.805 2.106 -3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 89 25.002 2.242 -5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 89 24.656 3.645 -4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 89 21.645 3.134 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 89 22.356 4.745 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 89 21.155 4.106 -5.469 1.00 0.00 H new