USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 693 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 41 HIS : no HD1:sc= -1.01 K(o=-1,f=-1.7) USER MOD Set 1.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 21:sc= 0.247 USER MOD Single : A 7 GLN : amide:sc= -2.6! C(o=-2.6!,f=-1.9!) USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= -0.24 (180deg=-0.244) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0383 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -2.14 X(o=-2.1,f=-2.5!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -7.4! C(o=-7.4!,f=-7.3!) USER MOD Single : A 34 HIS : no HD1:sc= -0.527 X(o=-0.53,f=-0.098) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= -1.35 (180deg=-1.56) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 73:sc= 1.11 USER MOD Single : A 62 GLN : amide:sc= -0.0121 K(o=-0.012,f=-0.8) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.136 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.077) USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -10.380 -9.154 8.019 1.00 23.30 N ATOM 2 CA THR A 5 -9.398 -8.158 7.622 1.00 31.40 C ATOM 3 C THR A 5 -8.552 -8.664 6.458 1.00 10.10 C ATOM 4 O THR A 5 -8.191 -7.902 5.562 1.00 64.20 O ATOM 5 CB THR A 5 -8.497 -7.802 8.805 1.00 33.50 C ATOM 6 OG1 THR A 5 -9.270 -7.547 9.965 1.00 44.30 O ATOM 7 CG2 THR A 5 -7.632 -6.585 8.555 1.00 14.40 C ATOM 0 HA THR A 5 -9.932 -7.264 7.299 1.00 31.40 H new ATOM 0 HB THR A 5 -7.848 -8.667 8.943 1.00 33.50 H new ATOM 0 HG1 THR A 5 -10.150 -7.968 9.871 1.00 44.30 H new ATOM 0 HG21 THR A 5 -7.018 -6.388 9.434 1.00 14.40 H new ATOM 0 HG22 THR A 5 -6.987 -6.767 7.695 1.00 14.40 H new ATOM 0 HG23 THR A 5 -8.267 -5.722 8.356 1.00 14.40 H new ATOM 15 N LEU A 6 -8.239 -9.956 6.480 1.00 22.30 N ATOM 16 CA LEU A 6 -7.435 -10.560 5.426 1.00 22.10 C ATOM 17 C LEU A 6 -8.160 -10.500 4.086 1.00 42.30 C ATOM 18 O LEU A 6 -7.573 -10.140 3.067 1.00 72.30 O ATOM 19 CB LEU A 6 -7.110 -12.010 5.779 1.00 31.30 C ATOM 20 CG LEU A 6 -5.856 -12.210 6.634 1.00 43.20 C ATOM 21 CD1 LEU A 6 -4.609 -11.850 5.841 1.00 75.40 C ATOM 22 CD2 LEU A 6 -5.943 -11.370 7.901 1.00 34.10 C ATOM 0 H LEU A 6 -8.529 -10.602 7.214 1.00 22.30 H new ATOM 0 HA LEU A 6 -6.507 -9.995 5.340 1.00 22.10 H new ATOM 0 HB2 LEU A 6 -7.962 -12.438 6.307 1.00 31.30 H new ATOM 0 HB3 LEU A 6 -6.993 -12.574 4.854 1.00 31.30 H new ATOM 0 HG LEU A 6 -5.791 -13.261 6.917 1.00 43.20 H new ATOM 0 HD11 LEU A 6 -3.727 -11.998 6.464 1.00 75.40 H new ATOM 0 HD12 LEU A 6 -4.542 -12.487 4.959 1.00 75.40 H new ATOM 0 HD13 LEU A 6 -4.664 -10.806 5.531 1.00 75.40 H new ATOM 0 HD21 LEU A 6 -5.045 -11.521 8.500 1.00 34.10 H new ATOM 0 HD22 LEU A 6 -6.028 -10.317 7.634 1.00 34.10 H new ATOM 0 HD23 LEU A 6 -6.818 -11.670 8.477 1.00 34.10 H new ATOM 34 N GLN A 7 -9.439 -10.860 4.094 1.00 33.30 N ATOM 35 CA GLN A 7 -10.240 -10.850 2.879 1.00 21.20 C ATOM 36 C GLN A 7 -10.320 -9.447 2.291 1.00 3.24 C ATOM 37 O GLN A 7 -10.090 -9.250 1.097 1.00 13.10 O ATOM 38 CB GLN A 7 -11.650 -11.370 3.171 1.00 2.22 C ATOM 39 CG GLN A 7 -12.340 -11.960 1.957 1.00 32.20 C ATOM 40 CD GLN A 7 -12.380 -11.010 0.778 1.00 0.12 C ATOM 41 OE1 GLN A 7 -13.270 -10.170 0.670 1.00 2.24 O ATOM 42 NE2 GLN A 7 -11.400 -11.130 -0.113 1.00 23.30 N ATOM 0 H GLN A 7 -9.941 -11.162 4.929 1.00 33.30 H new ATOM 0 HA GLN A 7 -9.759 -11.503 2.151 1.00 21.20 H new ATOM 0 HB2 GLN A 7 -11.595 -12.128 3.952 1.00 2.22 H new ATOM 0 HB3 GLN A 7 -12.256 -10.553 3.562 1.00 2.22 H new ATOM 0 HG2 GLN A 7 -11.825 -12.874 1.662 1.00 32.20 H new ATOM 0 HG3 GLN A 7 -13.359 -12.240 2.225 1.00 32.20 H new ATOM 0 HE21 GLN A 7 -10.680 -11.841 0.014 1.00 23.30 H new ATOM 0 HE22 GLN A 7 -11.369 -10.511 -0.923 1.00 23.30 H new ATOM 51 N LYS A 8 -10.630 -8.473 3.139 1.00 2.31 N ATOM 52 CA LYS A 8 -10.740 -7.085 2.703 1.00 5.22 C ATOM 53 C LYS A 8 -9.391 -6.561 2.227 1.00 45.00 C ATOM 54 O LYS A 8 -9.321 -5.716 1.334 1.00 54.10 O ATOM 55 CB LYS A 8 -11.260 -6.210 3.842 1.00 61.10 C ATOM 56 CG LYS A 8 -12.780 -6.197 3.948 1.00 72.20 C ATOM 57 CD LYS A 8 -13.240 -6.085 5.393 1.00 0.44 C ATOM 58 CE LYS A 8 -13.090 -4.665 5.915 1.00 15.40 C ATOM 59 NZ LYS A 8 -12.710 -4.638 7.354 1.00 11.50 N ATOM 0 H LYS A 8 -10.810 -8.618 4.132 1.00 2.31 H new ATOM 0 HA LYS A 8 -11.444 -7.046 1.872 1.00 5.22 H new ATOM 0 HB2 LYS A 8 -10.840 -6.564 4.783 1.00 61.10 H new ATOM 0 HB3 LYS A 8 -10.904 -5.190 3.698 1.00 61.10 H new ATOM 0 HG2 LYS A 8 -13.178 -5.361 3.373 1.00 72.20 H new ATOM 0 HG3 LYS A 8 -13.184 -7.108 3.507 1.00 72.20 H new ATOM 0 HD2 LYS A 8 -14.282 -6.394 5.469 1.00 0.44 H new ATOM 0 HD3 LYS A 8 -12.659 -6.766 6.015 1.00 0.44 H new ATOM 0 HE2 LYS A 8 -12.334 -4.142 5.330 1.00 15.40 H new ATOM 0 HE3 LYS A 8 -14.028 -4.127 5.777 1.00 15.40 H new ATOM 0 HZ1 LYS A 8 -12.864 -3.683 7.736 1.00 11.50 H new ATOM 0 HZ2 LYS A 8 -13.294 -5.319 7.880 1.00 11.50 H new ATOM 0 HZ3 LYS A 8 -11.707 -4.893 7.453 1.00 11.50 H new ATOM 73 N ALA A 9 -8.320 -7.067 2.829 1.00 53.20 N ATOM 74 CA ALA A 9 -6.971 -6.651 2.466 1.00 52.20 C ATOM 75 C ALA A 9 -6.635 -7.060 1.037 1.00 74.30 C ATOM 76 O ALA A 9 -6.283 -6.222 0.207 1.00 51.40 O ATOM 77 CB ALA A 9 -5.958 -7.239 3.437 1.00 11.20 C ATOM 0 H ALA A 9 -8.360 -7.766 3.571 1.00 53.20 H new ATOM 0 HA ALA A 9 -6.926 -5.564 2.524 1.00 52.20 H new ATOM 0 HB1 ALA A 9 -4.955 -6.920 3.154 1.00 11.20 H new ATOM 0 HB2 ALA A 9 -6.178 -6.892 4.447 1.00 11.20 H new ATOM 0 HB3 ALA A 9 -6.015 -8.327 3.407 1.00 11.20 H new ATOM 83 N ILE A 10 -6.747 -8.354 0.755 1.00 41.50 N ATOM 84 CA ILE A 10 -6.455 -8.875 -0.575 1.00 60.10 C ATOM 85 C ILE A 10 -7.350 -8.227 -1.626 1.00 41.10 C ATOM 86 O ILE A 10 -6.924 -7.989 -2.756 1.00 12.10 O ATOM 87 CB ILE A 10 -6.637 -10.400 -0.633 1.00 65.10 C ATOM 88 CG1 ILE A 10 -5.872 -11.070 0.508 1.00 32.20 C ATOM 89 CG2 ILE A 10 -6.175 -10.940 -1.979 1.00 13.30 C ATOM 90 CD1 ILE A 10 -6.666 -12.150 1.216 1.00 33.00 C ATOM 0 H ILE A 10 -7.038 -9.061 1.430 1.00 41.50 H new ATOM 0 HA ILE A 10 -5.414 -8.634 -0.788 1.00 60.10 H new ATOM 0 HB ILE A 10 -7.697 -10.629 -0.518 1.00 65.10 H new ATOM 0 HG12 ILE A 10 -4.954 -11.505 0.113 1.00 32.20 H new ATOM 0 HG13 ILE A 10 -5.579 -10.311 1.233 1.00 32.20 H new ATOM 0 HG21 ILE A 10 -6.311 -12.021 -2.003 1.00 13.30 H new ATOM 0 HG22 ILE A 10 -6.762 -10.483 -2.775 1.00 13.30 H new ATOM 0 HG23 ILE A 10 -5.121 -10.703 -2.124 1.00 13.30 H new ATOM 0 HD11 ILE A 10 -6.062 -12.582 2.014 1.00 33.00 H new ATOM 0 HD12 ILE A 10 -7.571 -11.717 1.641 1.00 33.00 H new ATOM 0 HD13 ILE A 10 -6.937 -12.929 0.503 1.00 33.00 H new ATOM 102 N ASP A 11 -8.591 -7.943 -1.246 1.00 74.20 N ATOM 103 CA ASP A 11 -9.546 -7.321 -2.156 1.00 72.00 C ATOM 104 C ASP A 11 -9.030 -5.972 -2.646 1.00 75.10 C ATOM 105 O ASP A 11 -9.146 -5.642 -3.826 1.00 53.20 O ATOM 106 CB ASP A 11 -10.890 -7.143 -1.466 1.00 72.10 C ATOM 107 CG ASP A 11 -12.010 -6.833 -2.447 1.00 70.50 C ATOM 108 OD1 ASP A 11 -12.110 -5.668 -2.887 1.00 63.50 O ATOM 109 OD2 ASP A 11 -12.780 -7.756 -2.776 1.00 5.34 O ATOM 0 H ASP A 11 -8.959 -8.134 -0.314 1.00 74.20 H new ATOM 0 HA ASP A 11 -9.671 -7.976 -3.018 1.00 72.00 H new ATOM 0 HB2 ASP A 11 -11.135 -8.051 -0.914 1.00 72.10 H new ATOM 0 HB3 ASP A 11 -10.817 -6.337 -0.736 1.00 72.10 H new ATOM 114 N LEU A 12 -8.458 -5.197 -1.730 1.00 33.50 N ATOM 115 CA LEU A 12 -7.921 -3.884 -2.068 1.00 41.20 C ATOM 116 C LEU A 12 -6.749 -4.009 -3.036 1.00 34.50 C ATOM 117 O LEU A 12 -6.576 -3.178 -3.928 1.00 62.30 O ATOM 118 CB LEU A 12 -7.477 -3.150 -0.802 1.00 3.00 C ATOM 119 CG LEU A 12 -8.602 -2.809 0.177 1.00 21.10 C ATOM 120 CD1 LEU A 12 -8.117 -2.930 1.613 1.00 42.10 C ATOM 121 CD2 LEU A 12 -9.134 -1.409 -0.092 1.00 63.30 C ATOM 0 H LEU A 12 -8.355 -5.455 -0.749 1.00 33.50 H new ATOM 0 HA LEU A 12 -8.710 -3.310 -2.554 1.00 41.20 H new ATOM 0 HB2 LEU A 12 -6.739 -3.763 -0.285 1.00 3.00 H new ATOM 0 HB3 LEU A 12 -6.976 -2.226 -1.093 1.00 3.00 H new ATOM 0 HG LEU A 12 -9.414 -3.521 0.030 1.00 21.10 H new ATOM 0 HD11 LEU A 12 -8.931 -2.683 2.294 1.00 42.10 H new ATOM 0 HD12 LEU A 12 -7.784 -3.951 1.800 1.00 42.10 H new ATOM 0 HD13 LEU A 12 -7.287 -2.242 1.776 1.00 42.10 H new ATOM 0 HD21 LEU A 12 -9.934 -1.182 0.613 1.00 63.30 H new ATOM 0 HD22 LEU A 12 -8.328 -0.684 0.027 1.00 63.30 H new ATOM 0 HD23 LEU A 12 -9.521 -1.356 -1.109 1.00 63.30 H new ATOM 133 N VAL A 13 -5.948 -5.054 -2.855 1.00 4.40 N ATOM 134 CA VAL A 13 -4.794 -5.289 -3.713 1.00 40.00 C ATOM 135 C VAL A 13 -5.228 -5.609 -5.140 1.00 51.20 C ATOM 136 O VAL A 13 -4.719 -5.029 -6.099 1.00 31.30 O ATOM 137 CB VAL A 13 -3.924 -6.445 -3.182 1.00 2.33 C ATOM 138 CG1 VAL A 13 -2.644 -6.569 -3.994 1.00 4.41 C ATOM 139 CG2 VAL A 13 -3.611 -6.243 -1.708 1.00 22.50 C ATOM 0 H VAL A 13 -6.077 -5.751 -2.122 1.00 4.40 H new ATOM 0 HA VAL A 13 -4.206 -4.371 -3.711 1.00 40.00 H new ATOM 0 HB VAL A 13 -4.484 -7.374 -3.288 1.00 2.33 H new ATOM 0 HG11 VAL A 13 -2.044 -7.391 -3.603 1.00 4.41 H new ATOM 0 HG12 VAL A 13 -2.892 -6.765 -5.037 1.00 4.41 H new ATOM 0 HG13 VAL A 13 -2.077 -5.640 -3.924 1.00 4.41 H new ATOM 0 HG21 VAL A 13 -2.996 -7.069 -1.350 1.00 22.50 H new ATOM 0 HG22 VAL A 13 -3.072 -5.305 -1.576 1.00 22.50 H new ATOM 0 HG23 VAL A 13 -4.541 -6.210 -1.140 1.00 22.50 H new ATOM 149 N THR A 14 -6.174 -6.534 -5.272 1.00 75.20 N ATOM 150 CA THR A 14 -6.678 -6.929 -6.581 1.00 62.40 C ATOM 151 C THR A 14 -7.285 -5.737 -7.316 1.00 20.10 C ATOM 152 O THR A 14 -7.316 -5.705 -8.546 1.00 61.10 O ATOM 153 CB THR A 14 -7.720 -8.038 -6.437 1.00 2.13 C ATOM 154 OG1 THR A 14 -7.481 -8.803 -5.269 1.00 2.21 O ATOM 155 CG2 THR A 14 -7.745 -8.991 -7.612 1.00 40.30 C ATOM 0 H THR A 14 -6.606 -7.023 -4.488 1.00 75.20 H new ATOM 0 HA THR A 14 -5.838 -7.303 -7.166 1.00 62.40 H new ATOM 0 HB THR A 14 -8.681 -7.526 -6.384 1.00 2.13 H new ATOM 0 HG1 THR A 14 -8.159 -9.506 -5.194 1.00 2.21 H new ATOM 0 HG21 THR A 14 -8.506 -9.753 -7.446 1.00 40.30 H new ATOM 0 HG22 THR A 14 -7.977 -8.439 -8.523 1.00 40.30 H new ATOM 0 HG23 THR A 14 -6.770 -9.468 -7.715 1.00 40.30 H new ATOM 163 N LYS A 15 -7.766 -4.760 -6.555 1.00 1.23 N ATOM 164 CA LYS A 15 -8.370 -3.567 -7.136 1.00 2.32 C ATOM 165 C LYS A 15 -7.299 -2.626 -7.679 1.00 11.20 C ATOM 166 O LYS A 15 -7.517 -1.925 -8.667 1.00 15.40 O ATOM 167 CB LYS A 15 -9.223 -2.841 -6.094 1.00 31.10 C ATOM 168 CG LYS A 15 -10.510 -3.570 -5.749 1.00 33.10 C ATOM 169 CD LYS A 15 -11.520 -3.468 -6.874 1.00 65.50 C ATOM 170 CE LYS A 15 -12.550 -2.378 -6.604 1.00 35.40 C ATOM 171 NZ LYS A 15 -13.170 -1.877 -7.859 1.00 74.10 N ATOM 0 H LYS A 15 -7.749 -4.771 -5.535 1.00 1.23 H new ATOM 0 HA LYS A 15 -9.008 -3.879 -7.963 1.00 2.32 H new ATOM 0 HB2 LYS A 15 -8.636 -2.707 -5.185 1.00 31.10 H new ATOM 0 HB3 LYS A 15 -9.467 -1.846 -6.466 1.00 31.10 H new ATOM 0 HG2 LYS A 15 -10.293 -4.619 -5.546 1.00 33.10 H new ATOM 0 HG3 LYS A 15 -10.935 -3.150 -4.837 1.00 33.10 H new ATOM 0 HD2 LYS A 15 -11.003 -3.257 -7.810 1.00 65.50 H new ATOM 0 HD3 LYS A 15 -12.026 -4.425 -6.998 1.00 65.50 H new ATOM 0 HE2 LYS A 15 -13.327 -2.768 -5.946 1.00 35.40 H new ATOM 0 HE3 LYS A 15 -12.073 -1.550 -6.079 1.00 35.40 H new ATOM 0 HZ1 LYS A 15 -13.865 -1.137 -7.632 1.00 74.10 H new ATOM 0 HZ2 LYS A 15 -12.433 -1.482 -8.477 1.00 74.10 H new ATOM 0 HZ3 LYS A 15 -13.647 -2.661 -8.348 1.00 74.10 H new ATOM 185 N ALA A 16 -6.142 -2.618 -7.025 1.00 1.03 N ATOM 186 CA ALA A 16 -5.036 -1.764 -7.441 1.00 44.10 C ATOM 187 C ALA A 16 -4.336 -2.331 -8.672 1.00 43.00 C ATOM 188 O ALA A 16 -4.024 -1.600 -9.612 1.00 35.40 O ATOM 189 CB ALA A 16 -4.045 -1.592 -6.300 1.00 22.50 C ATOM 0 H ALA A 16 -5.946 -3.193 -6.205 1.00 1.03 H new ATOM 0 HA ALA A 16 -5.443 -0.788 -7.705 1.00 44.10 H new ATOM 0 HB1 ALA A 16 -3.224 -0.952 -6.624 1.00 22.50 H new ATOM 0 HB2 ALA A 16 -4.547 -1.134 -5.448 1.00 22.50 H new ATOM 0 HB3 ALA A 16 -3.652 -2.566 -6.009 1.00 22.50 H new ATOM 195 N THR A 17 -4.090 -3.637 -8.658 1.00 73.50 N ATOM 196 CA THR A 17 -3.426 -4.300 -9.774 1.00 60.50 C ATOM 197 C THR A 17 -4.230 -4.139 -11.060 1.00 45.10 C ATOM 198 O THR A 17 -3.679 -3.805 -12.110 1.00 21.30 O ATOM 199 CB THR A 17 -3.223 -5.785 -9.467 1.00 62.10 C ATOM 200 OG1 THR A 17 -2.488 -6.415 -10.500 1.00 4.22 O ATOM 201 CG2 THR A 17 -4.521 -6.543 -9.299 1.00 71.40 C ATOM 0 H THR A 17 -4.340 -4.256 -7.887 1.00 73.50 H new ATOM 0 HA THR A 17 -2.453 -3.830 -9.915 1.00 60.50 H new ATOM 0 HB THR A 17 -2.679 -5.813 -8.523 1.00 62.10 H new ATOM 0 HG1 THR A 17 -2.368 -7.363 -10.284 1.00 4.22 H new ATOM 0 HG21 THR A 17 -4.306 -7.590 -9.083 1.00 71.40 H new ATOM 0 HG22 THR A 17 -5.090 -6.112 -8.475 1.00 71.40 H new ATOM 0 HG23 THR A 17 -5.104 -6.474 -10.217 1.00 71.40 H new ATOM 209 N GLU A 18 -5.535 -4.376 -10.970 1.00 71.30 N ATOM 210 CA GLU A 18 -6.411 -4.253 -12.130 1.00 31.30 C ATOM 211 C GLU A 18 -6.368 -2.836 -12.690 1.00 52.10 C ATOM 212 O GLU A 18 -6.259 -2.640 -13.900 1.00 70.20 O ATOM 213 CB GLU A 18 -7.848 -4.626 -11.760 1.00 75.00 C ATOM 214 CG GLU A 18 -8.428 -3.777 -10.640 1.00 42.10 C ATOM 215 CD GLU A 18 -9.845 -4.178 -10.280 1.00 0.32 C ATOM 216 OE1 GLU A 18 -10.070 -5.376 -10.000 1.00 12.40 O ATOM 217 OE2 GLU A 18 -10.720 -3.295 -10.270 1.00 20.40 O ATOM 0 H GLU A 18 -6.008 -4.653 -10.110 1.00 71.30 H new ATOM 0 HA GLU A 18 -6.056 -4.942 -12.897 1.00 31.30 H new ATOM 0 HB2 GLU A 18 -8.479 -4.528 -12.643 1.00 75.00 H new ATOM 0 HB3 GLU A 18 -7.877 -5.674 -11.463 1.00 75.00 H new ATOM 0 HG2 GLU A 18 -7.794 -3.864 -9.757 1.00 42.10 H new ATOM 0 HG3 GLU A 18 -8.416 -2.729 -10.939 1.00 42.10 H new ATOM 224 N GLU A 19 -6.447 -1.851 -11.800 1.00 50.20 N ATOM 225 CA GLU A 19 -6.409 -0.452 -12.210 1.00 73.30 C ATOM 226 C GLU A 19 -5.040 -0.095 -12.780 1.00 54.30 C ATOM 227 O GLU A 19 -4.922 0.770 -13.650 1.00 10.00 O ATOM 228 CB GLU A 19 -6.734 0.456 -11.020 1.00 65.10 C ATOM 229 CG GLU A 19 -8.199 0.854 -10.940 1.00 44.50 C ATOM 230 CD GLU A 19 -9.126 -0.344 -10.880 1.00 11.10 C ATOM 231 OE1 GLU A 19 -9.416 -0.925 -11.950 1.00 42.30 O ATOM 232 OE2 GLU A 19 -9.562 -0.701 -9.770 1.00 64.10 O ATOM 0 H GLU A 19 -6.537 -1.995 -10.794 1.00 50.20 H new ATOM 0 HA GLU A 19 -7.158 -0.302 -12.987 1.00 73.30 H new ATOM 0 HB2 GLU A 19 -6.454 -0.053 -10.098 1.00 65.10 H new ATOM 0 HB3 GLU A 19 -6.124 1.357 -11.084 1.00 65.10 H new ATOM 0 HG2 GLU A 19 -8.355 1.474 -10.058 1.00 44.50 H new ATOM 0 HG3 GLU A 19 -8.454 1.463 -11.807 1.00 44.50 H new ATOM 239 N ASP A 20 -4.008 -0.772 -12.280 1.00 74.30 N ATOM 240 CA ASP A 20 -2.645 -0.532 -12.740 1.00 0.21 C ATOM 241 C ASP A 20 -2.501 -0.874 -14.220 1.00 1.22 C ATOM 242 O ASP A 20 -1.750 -0.224 -14.950 1.00 32.20 O ATOM 243 CB ASP A 20 -1.657 -1.360 -11.920 1.00 35.10 C ATOM 244 CG ASP A 20 -0.430 -0.565 -11.520 1.00 62.10 C ATOM 245 OD1 ASP A 20 -0.541 0.279 -10.600 1.00 33.50 O ATOM 246 OD2 ASP A 20 0.643 -0.785 -12.120 1.00 64.40 O ATOM 0 H ASP A 20 -4.091 -1.488 -11.559 1.00 74.30 H new ATOM 0 HA ASP A 20 -2.425 0.527 -12.606 1.00 0.21 H new ATOM 0 HB2 ASP A 20 -2.154 -1.731 -11.024 1.00 35.10 H new ATOM 0 HB3 ASP A 20 -1.350 -2.231 -12.498 1.00 35.10 H new ATOM 251 N LYS A 21 -3.226 -1.898 -14.660 1.00 4.11 N ATOM 252 CA LYS A 21 -3.180 -2.329 -16.050 1.00 31.10 C ATOM 253 C LYS A 21 -4.198 -1.568 -16.900 1.00 1.35 C ATOM 254 O LYS A 21 -4.039 -1.444 -18.110 1.00 41.20 O ATOM 255 CB LYS A 21 -3.442 -3.833 -16.150 1.00 5.21 C ATOM 256 CG LYS A 21 -2.185 -4.678 -16.030 1.00 0.54 C ATOM 257 CD LYS A 21 -1.871 -5.003 -14.580 1.00 34.50 C ATOM 258 CE LYS A 21 -0.624 -5.865 -14.460 1.00 20.40 C ATOM 259 NZ LYS A 21 -0.954 -7.317 -14.420 1.00 70.40 N ATOM 0 H LYS A 21 -3.854 -2.445 -14.071 1.00 4.11 H new ATOM 0 HA LYS A 21 -2.183 -2.112 -16.433 1.00 31.10 H new ATOM 0 HB2 LYS A 21 -4.142 -4.124 -15.367 1.00 5.21 H new ATOM 0 HB3 LYS A 21 -3.924 -4.047 -17.104 1.00 5.21 H new ATOM 0 HG2 LYS A 21 -2.312 -5.603 -16.592 1.00 0.54 H new ATOM 0 HG3 LYS A 21 -1.344 -4.147 -16.476 1.00 0.54 H new ATOM 0 HD2 LYS A 21 -1.730 -4.078 -14.021 1.00 34.50 H new ATOM 0 HD3 LYS A 21 -2.718 -5.522 -14.131 1.00 34.50 H new ATOM 0 HE2 LYS A 21 0.037 -5.666 -15.303 1.00 20.40 H new ATOM 0 HE3 LYS A 21 -0.079 -5.592 -13.556 1.00 20.40 H new ATOM 0 HZ1 LYS A 21 -0.077 -7.870 -14.338 1.00 70.40 H new ATOM 0 HZ2 LYS A 21 -1.564 -7.512 -13.601 1.00 70.40 H new ATOM 0 HZ3 LYS A 21 -1.451 -7.584 -15.293 1.00 70.40 H new ATOM 273 N ALA A 22 -5.244 -1.062 -16.250 1.00 54.40 N ATOM 274 CA ALA A 22 -6.285 -0.317 -16.950 1.00 31.00 C ATOM 275 C ALA A 22 -6.034 1.187 -16.880 1.00 13.40 C ATOM 276 O ALA A 22 -6.966 1.985 -16.990 1.00 41.20 O ATOM 277 CB ALA A 22 -7.651 -0.651 -16.370 1.00 65.20 C ATOM 0 H ALA A 22 -5.392 -1.154 -15.245 1.00 54.40 H new ATOM 0 HA ALA A 22 -6.262 -0.612 -17.999 1.00 31.00 H new ATOM 0 HB1 ALA A 22 -8.419 -0.089 -16.901 1.00 65.20 H new ATOM 0 HB2 ALA A 22 -7.842 -1.719 -16.480 1.00 65.20 H new ATOM 0 HB3 ALA A 22 -7.672 -0.385 -15.313 1.00 65.20 H new ATOM 283 N LYS A 23 -4.773 1.570 -16.710 1.00 70.10 N ATOM 284 CA LYS A 23 -4.404 2.980 -16.630 1.00 62.20 C ATOM 285 C LYS A 23 -5.204 3.697 -15.540 1.00 22.40 C ATOM 286 O LYS A 23 -6.045 4.548 -15.840 1.00 44.30 O ATOM 287 CB LYS A 23 -4.625 3.661 -17.980 1.00 55.10 C ATOM 288 CG LYS A 23 -4.064 2.878 -19.160 1.00 1.51 C ATOM 289 CD LYS A 23 -4.299 3.603 -20.470 1.00 42.40 C ATOM 290 CE LYS A 23 -3.157 3.368 -21.450 1.00 35.00 C ATOM 291 NZ LYS A 23 -3.057 4.458 -22.460 1.00 30.20 N ATOM 0 H LYS A 23 -3.988 0.924 -16.625 1.00 70.10 H new ATOM 0 HA LYS A 23 -3.347 3.040 -16.370 1.00 62.20 H new ATOM 0 HB2 LYS A 23 -5.694 3.811 -18.130 1.00 55.10 H new ATOM 0 HB3 LYS A 23 -4.164 4.649 -17.959 1.00 55.10 H new ATOM 0 HG2 LYS A 23 -2.995 2.719 -19.017 1.00 1.51 H new ATOM 0 HG3 LYS A 23 -4.530 1.893 -19.199 1.00 1.51 H new ATOM 0 HD2 LYS A 23 -5.235 3.263 -20.912 1.00 42.40 H new ATOM 0 HD3 LYS A 23 -4.405 4.671 -20.282 1.00 42.40 H new ATOM 0 HE2 LYS A 23 -2.218 3.294 -20.902 1.00 35.00 H new ATOM 0 HE3 LYS A 23 -3.305 2.415 -21.958 1.00 35.00 H new ATOM 0 HZ1 LYS A 23 -2.268 4.260 -23.108 1.00 30.20 H new ATOM 0 HZ2 LYS A 23 -3.944 4.512 -23.001 1.00 30.20 H new ATOM 0 HZ3 LYS A 23 -2.890 5.364 -21.978 1.00 30.20 H new ATOM 305 N ASN A 24 -4.938 3.349 -14.290 1.00 15.30 N ATOM 306 CA ASN A 24 -5.632 3.960 -13.160 1.00 30.40 C ATOM 307 C ASN A 24 -4.686 4.149 -11.980 1.00 64.40 C ATOM 308 O ASN A 24 -4.902 3.595 -10.900 1.00 25.20 O ATOM 309 CB ASN A 24 -6.828 3.101 -12.750 1.00 25.30 C ATOM 310 CG ASN A 24 -8.104 3.501 -13.460 1.00 44.40 C ATOM 311 OD1 ASN A 24 -8.098 3.770 -14.660 1.00 55.00 O ATOM 312 ND2 ASN A 24 -9.207 3.541 -12.720 1.00 52.40 N ATOM 0 H ASN A 24 -4.246 2.646 -14.030 1.00 15.30 H new ATOM 0 HA ASN A 24 -5.991 4.942 -13.468 1.00 30.40 H new ATOM 0 HB2 ASN A 24 -6.610 2.055 -12.965 1.00 25.30 H new ATOM 0 HB3 ASN A 24 -6.976 3.181 -11.673 1.00 25.30 H new ATOM 0 HD21 ASN A 24 -10.097 3.803 -13.144 1.00 52.40 H new ATOM 0 HD22 ASN A 24 -9.164 3.310 -11.728 1.00 52.40 H new ATOM 319 N TYR A 25 -3.636 4.936 -12.190 1.00 61.10 N ATOM 320 CA TYR A 25 -2.656 5.199 -11.140 1.00 54.10 C ATOM 321 C TYR A 25 -3.290 5.956 -9.986 1.00 1.34 C ATOM 322 O TYR A 25 -2.892 5.790 -8.833 1.00 11.20 O ATOM 323 CB TYR A 25 -1.480 5.999 -11.710 1.00 1.31 C ATOM 324 CG TYR A 25 -0.960 5.468 -13.020 1.00 51.50 C ATOM 325 CD1 TYR A 25 -0.577 4.139 -13.160 1.00 24.10 C ATOM 326 CD2 TYR A 25 -0.851 6.295 -14.130 1.00 41.10 C ATOM 327 CE1 TYR A 25 -0.101 3.649 -14.360 1.00 21.20 C ATOM 328 CE2 TYR A 25 -0.377 5.812 -15.340 1.00 2.34 C ATOM 329 CZ TYR A 25 -0.003 4.490 -15.450 1.00 53.20 C ATOM 330 OH TYR A 25 0.470 4.006 -16.640 1.00 5.25 O ATOM 0 H TYR A 25 -3.441 5.403 -13.076 1.00 61.10 H new ATOM 0 HA TYR A 25 -2.291 4.244 -10.763 1.00 54.10 H new ATOM 0 HB2 TYR A 25 -1.790 7.035 -11.846 1.00 1.31 H new ATOM 0 HB3 TYR A 25 -0.668 6.002 -10.982 1.00 1.31 H new ATOM 0 HD1 TYR A 25 -0.653 3.475 -12.312 1.00 24.10 H new ATOM 0 HD2 TYR A 25 -1.140 7.332 -14.049 1.00 41.10 H new ATOM 0 HE1 TYR A 25 0.193 2.613 -14.445 1.00 21.20 H new ATOM 0 HE2 TYR A 25 -0.301 6.469 -16.193 1.00 2.34 H new ATOM 0 HH TYR A 25 0.475 4.725 -17.306 1.00 5.25 H new ATOM 340 N GLU A 26 -4.279 6.787 -10.290 1.00 30.10 N ATOM 341 CA GLU A 26 -4.969 7.569 -9.278 1.00 74.40 C ATOM 342 C GLU A 26 -5.852 6.677 -8.411 1.00 13.20 C ATOM 343 O GLU A 26 -5.984 6.900 -7.208 1.00 13.20 O ATOM 344 CB GLU A 26 -5.816 8.663 -9.932 1.00 24.30 C ATOM 345 CG GLU A 26 -6.936 8.124 -10.800 1.00 53.20 C ATOM 346 CD GLU A 26 -7.873 9.213 -11.290 1.00 63.50 C ATOM 347 OE1 GLU A 26 -7.562 9.851 -12.310 1.00 23.40 O ATOM 348 OE2 GLU A 26 -8.919 9.428 -10.640 1.00 24.00 O ATOM 0 H GLU A 26 -4.622 6.936 -11.239 1.00 30.10 H new ATOM 0 HA GLU A 26 -4.217 8.036 -8.642 1.00 74.40 H new ATOM 0 HB2 GLU A 26 -6.243 9.295 -9.153 1.00 24.30 H new ATOM 0 HB3 GLU A 26 -5.170 9.297 -10.539 1.00 24.30 H new ATOM 0 HG2 GLU A 26 -6.508 7.606 -11.658 1.00 53.20 H new ATOM 0 HG3 GLU A 26 -7.506 7.387 -10.234 1.00 53.20 H new ATOM 355 N GLU A 27 -6.454 5.667 -9.030 1.00 23.00 N ATOM 356 CA GLU A 27 -7.324 4.742 -8.315 1.00 31.50 C ATOM 357 C GLU A 27 -6.511 3.652 -7.624 1.00 13.40 C ATOM 358 O GLU A 27 -6.743 3.335 -6.458 1.00 1.14 O ATOM 359 CB GLU A 27 -8.332 4.110 -9.276 1.00 72.30 C ATOM 360 CG GLU A 27 -9.498 3.431 -8.576 1.00 41.50 C ATOM 361 CD GLU A 27 -10.670 4.364 -8.365 1.00 14.50 C ATOM 362 OE1 GLU A 27 -10.450 5.590 -8.283 1.00 11.20 O ATOM 363 OE2 GLU A 27 -11.810 3.869 -8.283 1.00 15.20 O ATOM 0 H GLU A 27 -6.355 5.469 -10.026 1.00 23.00 H new ATOM 0 HA GLU A 27 -7.863 5.306 -7.553 1.00 31.50 H new ATOM 0 HB2 GLU A 27 -8.719 4.881 -9.942 1.00 72.30 H new ATOM 0 HB3 GLU A 27 -7.818 3.379 -9.899 1.00 72.30 H new ATOM 0 HG2 GLU A 27 -9.822 2.573 -9.166 1.00 41.50 H new ATOM 0 HG3 GLU A 27 -9.165 3.047 -7.612 1.00 41.50 H new ATOM 370 N ALA A 28 -5.557 3.081 -8.353 1.00 14.30 N ATOM 371 CA ALA A 28 -4.709 2.025 -7.811 1.00 41.40 C ATOM 372 C ALA A 28 -3.969 2.497 -6.563 1.00 3.44 C ATOM 373 O ALA A 28 -3.672 1.704 -5.669 1.00 53.20 O ATOM 374 CB ALA A 28 -3.720 1.551 -8.865 1.00 33.40 C ATOM 0 H ALA A 28 -5.352 3.332 -9.320 1.00 14.30 H new ATOM 0 HA ALA A 28 -5.350 1.190 -7.526 1.00 41.40 H new ATOM 0 HB1 ALA A 28 -3.093 0.763 -8.448 1.00 33.40 H new ATOM 0 HB2 ALA A 28 -4.264 1.164 -9.727 1.00 33.40 H new ATOM 0 HB3 ALA A 28 -3.093 2.386 -9.177 1.00 33.40 H new ATOM 380 N LEU A 29 -3.672 3.791 -6.509 1.00 72.30 N ATOM 381 CA LEU A 29 -2.966 4.367 -5.370 1.00 52.10 C ATOM 382 C LEU A 29 -3.792 4.236 -4.095 1.00 73.30 C ATOM 383 O LEU A 29 -3.334 3.669 -3.103 1.00 10.20 O ATOM 384 CB LEU A 29 -2.643 5.839 -5.634 1.00 3.44 C ATOM 385 CG LEU A 29 -1.530 6.424 -4.762 1.00 32.40 C ATOM 386 CD1 LEU A 29 -1.136 7.807 -5.256 1.00 61.20 C ATOM 387 CD2 LEU A 29 -1.970 6.481 -3.306 1.00 51.40 C ATOM 0 H LEU A 29 -3.909 4.461 -7.241 1.00 72.30 H new ATOM 0 HA LEU A 29 -2.035 3.817 -5.236 1.00 52.10 H new ATOM 0 HB2 LEU A 29 -2.361 5.951 -6.681 1.00 3.44 H new ATOM 0 HB3 LEU A 29 -3.549 6.427 -5.483 1.00 3.44 H new ATOM 0 HG LEU A 29 -0.658 5.774 -4.833 1.00 32.40 H new ATOM 0 HD11 LEU A 29 -0.343 8.207 -4.624 1.00 61.20 H new ATOM 0 HD12 LEU A 29 -0.780 7.738 -6.284 1.00 61.20 H new ATOM 0 HD13 LEU A 29 -2.002 8.468 -5.215 1.00 61.20 H new ATOM 0 HD21 LEU A 29 -1.167 6.899 -2.699 1.00 51.40 H new ATOM 0 HD22 LEU A 29 -2.856 7.109 -3.218 1.00 51.40 H new ATOM 0 HD23 LEU A 29 -2.202 5.475 -2.956 1.00 51.40 H new ATOM 399 N ARG A 30 -5.011 4.764 -4.127 1.00 65.40 N ATOM 400 CA ARG A 30 -5.900 4.707 -2.973 1.00 60.10 C ATOM 401 C ARG A 30 -6.173 3.262 -2.567 1.00 42.20 C ATOM 402 O ARG A 30 -6.320 2.957 -1.383 1.00 11.50 O ATOM 403 CB ARG A 30 -7.218 5.420 -3.282 1.00 35.30 C ATOM 404 CG ARG A 30 -7.914 4.899 -4.529 1.00 51.40 C ATOM 405 CD ARG A 30 -9.336 5.424 -4.633 1.00 61.50 C ATOM 406 NE ARG A 30 -10.200 4.864 -3.600 1.00 21.40 N ATOM 407 CZ ARG A 30 -11.510 5.100 -3.523 1.00 70.20 C ATOM 408 NH1 ARG A 30 -12.100 5.883 -4.414 1.00 72.00 N ATOM 409 NH2 ARG A 30 -12.220 4.551 -2.551 1.00 1.12 N ATOM 0 H ARG A 30 -5.406 5.236 -4.940 1.00 65.40 H new ATOM 0 HA ARG A 30 -5.408 5.212 -2.142 1.00 60.10 H new ATOM 0 HB2 ARG A 30 -7.889 5.311 -2.430 1.00 35.30 H new ATOM 0 HB3 ARG A 30 -7.025 6.486 -3.402 1.00 35.30 H new ATOM 0 HG2 ARG A 30 -7.350 5.196 -5.413 1.00 51.40 H new ATOM 0 HG3 ARG A 30 -7.928 3.809 -4.511 1.00 51.40 H new ATOM 0 HD2 ARG A 30 -9.329 6.511 -4.550 1.00 61.50 H new ATOM 0 HD3 ARG A 30 -9.741 5.182 -5.616 1.00 61.50 H new ATOM 0 HE ARG A 30 -9.778 4.258 -2.897 1.00 21.40 H new ATOM 0 HH11 ARG A 30 -11.552 6.308 -5.162 1.00 72.00 H new ATOM 0 HH12 ARG A 30 -13.102 6.061 -4.352 1.00 72.00 H new ATOM 0 HH21 ARG A 30 -11.765 3.950 -1.864 1.00 1.12 H new ATOM 0 HH22 ARG A 30 -13.222 4.729 -2.489 1.00 1.12 H new ATOM 423 N LEU A 31 -6.240 2.377 -3.556 1.00 14.10 N ATOM 424 CA LEU A 31 -6.495 0.964 -3.302 1.00 65.50 C ATOM 425 C LEU A 31 -5.274 0.294 -2.681 1.00 40.50 C ATOM 426 O LEU A 31 -5.401 -0.647 -1.898 1.00 12.40 O ATOM 427 CB LEU A 31 -6.879 0.252 -4.600 1.00 11.10 C ATOM 428 CG LEU A 31 -8.177 0.739 -5.247 1.00 35.40 C ATOM 429 CD1 LEU A 31 -8.116 0.570 -6.757 1.00 43.30 C ATOM 430 CD2 LEU A 31 -9.370 -0.009 -4.672 1.00 4.12 C ATOM 0 H LEU A 31 -6.121 2.614 -4.541 1.00 14.10 H new ATOM 0 HA LEU A 31 -7.324 0.891 -2.598 1.00 65.50 H new ATOM 0 HB2 LEU A 31 -6.066 0.372 -5.317 1.00 11.10 H new ATOM 0 HB3 LEU A 31 -6.970 -0.815 -4.398 1.00 11.10 H new ATOM 0 HG LEU A 31 -8.297 1.800 -5.026 1.00 35.40 H new ATOM 0 HD11 LEU A 31 -9.048 0.922 -7.200 1.00 43.30 H new ATOM 0 HD12 LEU A 31 -7.283 1.150 -7.155 1.00 43.30 H new ATOM 0 HD13 LEU A 31 -7.973 -0.483 -7.000 1.00 43.30 H new ATOM 0 HD21 LEU A 31 -10.285 0.349 -5.143 1.00 4.12 H new ATOM 0 HD22 LEU A 31 -9.257 -1.076 -4.864 1.00 4.12 H new ATOM 0 HD23 LEU A 31 -9.424 0.163 -3.597 1.00 4.12 H new ATOM 442 N TYR A 32 -4.091 0.784 -3.037 1.00 41.30 N ATOM 443 CA TYR A 32 -2.846 0.233 -2.516 1.00 74.40 C ATOM 444 C TYR A 32 -2.645 0.627 -1.056 1.00 30.30 C ATOM 445 O TYR A 32 -2.287 -0.205 -0.222 1.00 53.30 O ATOM 446 CB TYR A 32 -1.660 0.714 -3.354 1.00 42.40 C ATOM 447 CG TYR A 32 -1.386 -0.147 -4.566 1.00 62.00 C ATOM 448 CD1 TYR A 32 -1.280 -1.527 -4.453 1.00 30.20 C ATOM 449 CD2 TYR A 32 -1.232 0.422 -5.825 1.00 21.20 C ATOM 450 CE1 TYR A 32 -1.029 -2.317 -5.559 1.00 63.40 C ATOM 451 CE2 TYR A 32 -0.982 -0.361 -6.935 1.00 60.20 C ATOM 452 CZ TYR A 32 -0.881 -1.729 -6.797 1.00 11.50 C ATOM 453 OH TYR A 32 -0.631 -2.512 -7.901 1.00 33.10 O ATOM 0 H TYR A 32 -3.969 1.562 -3.685 1.00 41.30 H new ATOM 0 HA TYR A 32 -2.907 -0.854 -2.575 1.00 74.40 H new ATOM 0 HB2 TYR A 32 -1.848 1.737 -3.680 1.00 42.40 H new ATOM 0 HB3 TYR A 32 -0.769 0.738 -2.727 1.00 42.40 H new ATOM 0 HD1 TYR A 32 -1.396 -1.991 -3.485 1.00 30.20 H new ATOM 0 HD2 TYR A 32 -1.309 1.493 -5.937 1.00 21.20 H new ATOM 0 HE1 TYR A 32 -0.949 -3.389 -5.454 1.00 63.40 H new ATOM 0 HE2 TYR A 32 -0.866 0.096 -7.907 1.00 60.20 H new ATOM 0 HH TYR A 32 -0.555 -1.943 -8.695 1.00 33.10 H new ATOM 463 N GLN A 33 -2.877 1.900 -0.755 1.00 0.41 N ATOM 464 CA GLN A 33 -2.721 2.406 0.604 1.00 2.21 C ATOM 465 C GLN A 33 -3.641 1.666 1.570 1.00 13.10 C ATOM 466 O GLN A 33 -3.261 1.371 2.703 1.00 31.40 O ATOM 467 CB GLN A 33 -3.016 3.906 0.650 1.00 42.40 C ATOM 468 CG GLN A 33 -1.828 4.771 0.260 1.00 10.10 C ATOM 469 CD GLN A 33 -2.197 6.234 0.111 1.00 41.10 C ATOM 470 OE1 GLN A 33 -1.599 7.105 0.744 1.00 74.10 O ATOM 471 NE2 GLN A 33 -3.187 6.512 -0.730 1.00 33.00 N ATOM 0 H GLN A 33 -3.174 2.601 -1.434 1.00 0.41 H new ATOM 0 HA GLN A 33 -1.689 2.236 0.911 1.00 2.21 H new ATOM 0 HB2 GLN A 33 -3.849 4.125 -0.018 1.00 42.40 H new ATOM 0 HB3 GLN A 33 -3.336 4.174 1.657 1.00 42.40 H new ATOM 0 HG2 GLN A 33 -1.048 4.672 1.015 1.00 10.10 H new ATOM 0 HG3 GLN A 33 -1.411 4.408 -0.679 1.00 10.10 H new ATOM 0 HE21 GLN A 33 -3.655 5.759 -1.234 1.00 33.00 H new ATOM 0 HE22 GLN A 33 -3.479 7.479 -0.872 1.00 33.00 H new ATOM 480 N HIS A 34 -4.854 1.369 1.113 1.00 62.30 N ATOM 481 CA HIS A 34 -5.829 0.664 1.937 1.00 74.20 C ATOM 482 C HIS A 34 -5.374 -0.765 2.216 1.00 13.20 C ATOM 483 O HIS A 34 -5.463 -1.247 3.345 1.00 12.00 O ATOM 484 CB HIS A 34 -7.195 0.651 1.249 1.00 24.40 C ATOM 485 CG HIS A 34 -7.974 1.915 1.443 1.00 50.30 C ATOM 486 ND1 HIS A 34 -8.324 2.400 2.686 1.00 30.40 N ATOM 487 CD2 HIS A 34 -8.472 2.796 0.544 1.00 23.10 C ATOM 488 CE1 HIS A 34 -9.004 3.524 2.542 1.00 65.30 C ATOM 489 NE2 HIS A 34 -9.107 3.786 1.253 1.00 23.40 N ATOM 0 H HIS A 34 -5.184 1.606 0.177 1.00 62.30 H new ATOM 0 HA HIS A 34 -5.913 1.191 2.887 1.00 74.20 H new ATOM 0 HB2 HIS A 34 -7.054 0.481 0.182 1.00 24.40 H new ATOM 0 HB3 HIS A 34 -7.777 -0.187 1.631 1.00 24.40 H new ATOM 0 HD2 HIS A 34 -8.386 2.732 -0.531 1.00 23.10 H new ATOM 0 HE1 HIS A 34 -9.407 4.126 3.343 1.00 65.30 H new ATOM 0 HE2 HIS A 34 -9.581 4.593 0.849 1.00 23.40 H new ATOM 498 N ALA A 35 -4.885 -1.439 1.179 1.00 54.00 N ATOM 499 CA ALA A 35 -4.416 -2.813 1.312 1.00 32.00 C ATOM 500 C ALA A 35 -3.290 -2.912 2.335 1.00 44.00 C ATOM 501 O ALA A 35 -3.389 -3.656 3.311 1.00 14.10 O ATOM 502 CB ALA A 35 -3.955 -3.345 -0.037 1.00 1.44 C ATOM 0 H ALA A 35 -4.804 -1.055 0.237 1.00 54.00 H new ATOM 0 HA ALA A 35 -5.247 -3.423 1.666 1.00 32.00 H new ATOM 0 HB1 ALA A 35 -3.607 -4.372 0.076 1.00 1.44 H new ATOM 0 HB2 ALA A 35 -4.786 -3.319 -0.742 1.00 1.44 H new ATOM 0 HB3 ALA A 35 -3.141 -2.726 -0.413 1.00 1.44 H new ATOM 508 N VAL A 36 -2.220 -2.159 2.105 1.00 23.30 N ATOM 509 CA VAL A 36 -1.074 -2.163 3.007 1.00 30.30 C ATOM 510 C VAL A 36 -1.480 -1.731 4.412 1.00 63.00 C ATOM 511 O VAL A 36 -1.027 -2.304 5.403 1.00 23.20 O ATOM 512 CB VAL A 36 0.044 -1.233 2.500 1.00 24.10 C ATOM 513 CG1 VAL A 36 1.300 -1.399 3.340 1.00 44.40 C ATOM 514 CG2 VAL A 36 0.336 -1.502 1.031 1.00 10.50 C ATOM 0 H VAL A 36 -2.122 -1.538 1.302 1.00 23.30 H new ATOM 0 HA VAL A 36 -0.699 -3.186 3.037 1.00 30.30 H new ATOM 0 HB VAL A 36 -0.295 -0.202 2.597 1.00 24.10 H new ATOM 0 HG11 VAL A 36 2.078 -0.734 2.966 1.00 44.40 H new ATOM 0 HG12 VAL A 36 1.079 -1.151 4.378 1.00 44.40 H new ATOM 0 HG13 VAL A 36 1.645 -2.431 3.279 1.00 44.40 H new ATOM 0 HG21 VAL A 36 1.128 -0.836 0.690 1.00 10.50 H new ATOM 0 HG22 VAL A 36 0.654 -2.537 0.907 1.00 10.50 H new ATOM 0 HG23 VAL A 36 -0.565 -1.326 0.443 1.00 10.50 H new ATOM 524 N GLU A 37 -2.335 -0.717 4.490 1.00 50.50 N ATOM 525 CA GLU A 37 -2.801 -0.208 5.775 1.00 74.20 C ATOM 526 C GLU A 37 -3.526 -1.296 6.560 1.00 44.40 C ATOM 527 O GLU A 37 -3.231 -1.531 7.732 1.00 1.52 O ATOM 528 CB GLU A 37 -3.729 0.990 5.566 1.00 60.20 C ATOM 529 CG GLU A 37 -2.997 2.321 5.499 1.00 23.20 C ATOM 530 CD GLU A 37 -3.931 3.507 5.637 1.00 42.20 C ATOM 531 OE1 GLU A 37 -4.813 3.469 6.522 1.00 63.30 O ATOM 532 OE2 GLU A 37 -3.782 4.475 4.861 1.00 73.30 O ATOM 0 H GLU A 37 -2.719 -0.232 3.679 1.00 50.50 H new ATOM 0 HA GLU A 37 -1.931 0.111 6.349 1.00 74.20 H new ATOM 0 HB2 GLU A 37 -4.291 0.847 4.643 1.00 60.20 H new ATOM 0 HB3 GLU A 37 -4.454 1.024 6.379 1.00 60.20 H new ATOM 0 HG2 GLU A 37 -2.247 2.360 6.289 1.00 23.20 H new ATOM 0 HG3 GLU A 37 -2.464 2.391 4.551 1.00 23.20 H new ATOM 539 N TYR A 38 -4.476 -1.957 5.907 1.00 64.20 N ATOM 540 CA TYR A 38 -5.244 -3.021 6.545 1.00 4.14 C ATOM 541 C TYR A 38 -4.340 -4.186 6.933 1.00 53.50 C ATOM 542 O TYR A 38 -4.591 -4.876 7.921 1.00 34.20 O ATOM 543 CB TYR A 38 -6.352 -3.509 5.610 1.00 21.40 C ATOM 544 CG TYR A 38 -7.657 -2.765 5.776 1.00 55.20 C ATOM 545 CD1 TYR A 38 -7.743 -1.405 5.503 1.00 13.50 C ATOM 546 CD2 TYR A 38 -8.804 -3.421 6.206 1.00 20.20 C ATOM 547 CE1 TYR A 38 -8.934 -0.721 5.654 1.00 22.40 C ATOM 548 CE2 TYR A 38 -9.999 -2.744 6.359 1.00 32.50 C ATOM 549 CZ TYR A 38 -10.050 -1.395 6.082 1.00 53.30 C ATOM 550 OH TYR A 38 -11.240 -0.717 6.233 1.00 45.50 O ATOM 0 H TYR A 38 -4.733 -1.775 4.937 1.00 64.20 H new ATOM 0 HA TYR A 38 -5.695 -2.617 7.451 1.00 4.14 H new ATOM 0 HB2 TYR A 38 -6.015 -3.409 4.578 1.00 21.40 H new ATOM 0 HB3 TYR A 38 -6.524 -4.571 5.787 1.00 21.40 H new ATOM 0 HD1 TYR A 38 -6.864 -0.874 5.167 1.00 13.50 H new ATOM 0 HD2 TYR A 38 -8.761 -4.478 6.424 1.00 20.20 H new ATOM 0 HE1 TYR A 38 -8.986 0.336 5.437 1.00 22.40 H new ATOM 0 HE2 TYR A 38 -10.884 -3.267 6.692 1.00 32.50 H new ATOM 0 HH TYR A 38 -11.933 -1.337 6.542 1.00 45.50 H new ATOM 560 N PHE A 39 -3.288 -4.399 6.150 1.00 10.50 N ATOM 561 CA PHE A 39 -2.346 -5.481 6.412 1.00 2.43 C ATOM 562 C PHE A 39 -1.533 -5.202 7.672 1.00 42.40 C ATOM 563 O PHE A 39 -1.319 -6.092 8.495 1.00 65.00 O ATOM 564 CB PHE A 39 -1.409 -5.671 5.218 1.00 41.50 C ATOM 565 CG PHE A 39 -1.934 -6.631 4.189 1.00 44.40 C ATOM 566 CD1 PHE A 39 -2.226 -7.942 4.531 1.00 11.40 C ATOM 567 CD2 PHE A 39 -2.136 -6.223 2.880 1.00 23.50 C ATOM 568 CE1 PHE A 39 -2.709 -8.828 3.587 1.00 23.10 C ATOM 569 CE2 PHE A 39 -2.619 -7.105 1.932 1.00 75.10 C ATOM 570 CZ PHE A 39 -2.906 -8.409 2.286 1.00 5.21 C ATOM 0 H PHE A 39 -3.066 -3.837 5.329 1.00 10.50 H new ATOM 0 HA PHE A 39 -2.917 -6.397 6.565 1.00 2.43 H new ATOM 0 HB2 PHE A 39 -1.235 -4.704 4.746 1.00 41.50 H new ATOM 0 HB3 PHE A 39 -0.444 -6.028 5.577 1.00 41.50 H new ATOM 0 HD1 PHE A 39 -2.074 -8.275 5.547 1.00 11.40 H new ATOM 0 HD2 PHE A 39 -1.914 -5.205 2.598 1.00 23.50 H new ATOM 0 HE1 PHE A 39 -2.932 -9.847 3.866 1.00 23.10 H new ATOM 0 HE2 PHE A 39 -2.772 -6.775 0.915 1.00 75.10 H new ATOM 0 HZ PHE A 39 -3.284 -9.100 1.547 1.00 5.21 H new ATOM 580 N LEU A 40 -1.083 -3.959 7.816 1.00 34.30 N ATOM 581 CA LEU A 40 -0.293 -3.562 8.975 1.00 12.50 C ATOM 582 C LEU A 40 -1.080 -3.767 10.266 1.00 2.22 C ATOM 583 O LEU A 40 -0.516 -4.130 11.298 1.00 1.13 O ATOM 584 CB LEU A 40 0.132 -2.098 8.851 1.00 75.40 C ATOM 585 CG LEU A 40 1.111 -1.802 7.713 1.00 21.00 C ATOM 586 CD1 LEU A 40 1.248 -0.302 7.504 1.00 41.40 C ATOM 587 CD2 LEU A 40 2.467 -2.428 8.002 1.00 75.40 C ATOM 0 H LEU A 40 -1.252 -3.210 7.144 1.00 34.30 H new ATOM 0 HA LEU A 40 0.597 -4.190 9.009 1.00 12.50 H new ATOM 0 HB2 LEU A 40 -0.760 -1.487 8.711 1.00 75.40 H new ATOM 0 HB3 LEU A 40 0.587 -1.787 9.791 1.00 75.40 H new ATOM 0 HG LEU A 40 0.718 -2.241 6.796 1.00 21.00 H new ATOM 0 HD11 LEU A 40 1.948 -0.110 6.691 1.00 41.40 H new ATOM 0 HD12 LEU A 40 0.275 0.121 7.252 1.00 41.40 H new ATOM 0 HD13 LEU A 40 1.619 0.160 8.419 1.00 41.40 H new ATOM 0 HD21 LEU A 40 3.151 -2.208 7.183 1.00 75.40 H new ATOM 0 HD22 LEU A 40 2.867 -2.018 8.929 1.00 75.40 H new ATOM 0 HD23 LEU A 40 2.356 -3.508 8.101 1.00 75.40 H new ATOM 599 N HIS A 41 -2.387 -3.533 10.200 1.00 15.40 N ATOM 600 CA HIS A 41 -3.252 -3.692 11.363 1.00 64.30 C ATOM 601 C HIS A 41 -3.489 -5.168 11.667 1.00 3.22 C ATOM 602 O HIS A 41 -3.668 -5.553 12.823 1.00 62.10 O ATOM 603 CB HIS A 41 -4.589 -2.986 11.131 1.00 42.00 C ATOM 604 CG HIS A 41 -4.553 -1.521 11.437 1.00 12.30 C ATOM 605 ND1 HIS A 41 -5.250 -0.953 12.482 1.00 41.10 N ATOM 606 CD2 HIS A 41 -3.896 -0.504 10.828 1.00 42.30 C ATOM 607 CE1 HIS A 41 -5.025 0.349 12.503 1.00 43.30 C ATOM 608 NE2 HIS A 41 -4.207 0.646 11.510 1.00 4.35 N ATOM 0 H HIS A 41 -2.870 -3.233 9.353 1.00 15.40 H new ATOM 0 HA HIS A 41 -2.754 -3.239 12.220 1.00 64.30 H new ATOM 0 HB2 HIS A 41 -4.888 -3.125 10.092 1.00 42.00 H new ATOM 0 HB3 HIS A 41 -5.352 -3.459 11.749 1.00 42.00 H new ATOM 0 HD2 HIS A 41 -3.249 -0.583 9.967 1.00 42.30 H new ATOM 0 HE1 HIS A 41 -5.440 1.051 13.212 1.00 43.30 H new ATOM 0 HE2 HIS A 41 -3.862 1.579 11.286 1.00 4.35 H new ATOM 617 N ALA A 42 -3.490 -5.990 10.623 1.00 10.40 N ATOM 618 CA ALA A 42 -3.705 -7.423 10.779 1.00 25.50 C ATOM 619 C ALA A 42 -2.506 -8.090 11.444 1.00 21.10 C ATOM 620 O ALA A 42 -2.652 -9.082 12.158 1.00 63.10 O ATOM 621 CB ALA A 42 -3.985 -8.064 9.428 1.00 60.40 C ATOM 0 H ALA A 42 -3.344 -5.688 9.660 1.00 10.40 H new ATOM 0 HA ALA A 42 -4.571 -7.567 11.425 1.00 25.50 H new ATOM 0 HB1 ALA A 42 -4.144 -9.134 9.559 1.00 60.40 H new ATOM 0 HB2 ALA A 42 -4.877 -7.616 8.990 1.00 60.40 H new ATOM 0 HB3 ALA A 42 -3.135 -7.902 8.765 1.00 60.40 H new ATOM 627 N ILE A 43 -1.321 -7.538 11.206 1.00 30.00 N ATOM 628 CA ILE A 43 -0.096 -8.080 11.783 1.00 12.40 C ATOM 629 C ILE A 43 -0.026 -7.802 13.281 1.00 53.00 C ATOM 630 O ILE A 43 0.135 -8.720 14.085 1.00 2.23 O ATOM 631 CB ILE A 43 1.156 -7.491 11.102 1.00 71.10 C ATOM 632 CG1 ILE A 43 1.049 -7.624 9.582 1.00 21.50 C ATOM 633 CG2 ILE A 43 2.412 -8.182 11.612 1.00 62.20 C ATOM 634 CD1 ILE A 43 1.633 -6.447 8.830 1.00 53.20 C ATOM 0 H ILE A 43 -1.183 -6.716 10.618 1.00 30.00 H new ATOM 0 HA ILE A 43 -0.117 -9.157 11.616 1.00 12.40 H new ATOM 0 HB ILE A 43 1.221 -6.432 11.351 1.00 71.10 H new ATOM 0 HG12 ILE A 43 1.559 -8.535 9.268 1.00 21.50 H new ATOM 0 HG13 ILE A 43 -0.000 -7.736 9.308 1.00 21.50 H new ATOM 0 HG21 ILE A 43 3.287 -7.755 11.122 1.00 62.20 H new ATOM 0 HG22 ILE A 43 2.494 -8.039 12.689 1.00 62.20 H new ATOM 0 HG23 ILE A 43 2.356 -9.248 11.391 1.00 62.20 H new ATOM 0 HD11 ILE A 43 1.522 -6.609 7.758 1.00 53.20 H new ATOM 0 HD12 ILE A 43 1.107 -5.536 9.115 1.00 53.20 H new ATOM 0 HD13 ILE A 43 2.690 -6.347 9.075 1.00 53.20 H new ATOM 646 N LYS A 44 -0.146 -6.530 13.648 1.00 22.40 N ATOM 647 CA LYS A 44 -0.096 -6.132 15.050 1.00 54.30 C ATOM 648 C LYS A 44 -1.212 -6.802 15.847 1.00 41.40 C ATOM 649 O LYS A 44 -1.053 -7.091 17.033 1.00 3.42 O ATOM 650 CB LYS A 44 -0.207 -4.612 15.175 1.00 51.30 C ATOM 651 CG LYS A 44 -1.374 -4.021 14.401 1.00 51.30 C ATOM 652 CD LYS A 44 -1.996 -2.847 15.140 1.00 20.50 C ATOM 653 CE LYS A 44 -2.414 -1.744 14.181 1.00 72.20 C ATOM 654 NZ LYS A 44 -2.611 -0.445 14.882 1.00 22.40 N ATOM 0 H LYS A 44 -0.278 -5.758 12.995 1.00 22.40 H new ATOM 0 HA LYS A 44 0.862 -6.454 15.459 1.00 54.30 H new ATOM 0 HB2 LYS A 44 -0.310 -4.349 16.228 1.00 51.30 H new ATOM 0 HB3 LYS A 44 0.719 -4.158 14.822 1.00 51.30 H new ATOM 0 HG2 LYS A 44 -1.032 -3.694 13.419 1.00 51.30 H new ATOM 0 HG3 LYS A 44 -2.129 -4.790 14.236 1.00 51.30 H new ATOM 0 HD2 LYS A 44 -2.864 -3.189 15.704 1.00 20.50 H new ATOM 0 HD3 LYS A 44 -1.282 -2.451 15.863 1.00 20.50 H new ATOM 0 HE2 LYS A 44 -1.655 -1.628 13.408 1.00 72.20 H new ATOM 0 HE3 LYS A 44 -3.339 -2.030 13.679 1.00 72.20 H new ATOM 0 HZ1 LYS A 44 -2.895 0.281 14.194 1.00 22.40 H new ATOM 0 HZ2 LYS A 44 -3.353 -0.549 15.603 1.00 22.40 H new ATOM 0 HZ3 LYS A 44 -1.722 -0.159 15.340 1.00 22.40 H new ATOM 668 N TYR A 45 -2.339 -7.046 15.187 1.00 31.40 N ATOM 669 CA TYR A 45 -3.481 -7.682 15.833 1.00 4.22 C ATOM 670 C TYR A 45 -3.256 -9.183 15.981 1.00 32.20 C ATOM 671 O TYR A 45 -2.986 -9.676 17.076 1.00 33.20 O ATOM 672 CB TYR A 45 -4.758 -7.422 15.032 1.00 35.40 C ATOM 673 CG TYR A 45 -5.525 -6.203 15.493 1.00 42.30 C ATOM 674 CD1 TYR A 45 -4.988 -4.929 15.358 1.00 35.30 C ATOM 675 CD2 TYR A 45 -6.786 -6.327 16.063 1.00 31.30 C ATOM 676 CE1 TYR A 45 -5.686 -3.812 15.778 1.00 50.00 C ATOM 677 CE2 TYR A 45 -7.490 -5.215 16.485 1.00 41.00 C ATOM 678 CZ TYR A 45 -6.936 -3.961 16.341 1.00 34.20 C ATOM 679 OH TYR A 45 -7.634 -2.852 16.760 1.00 41.30 O ATOM 0 H TYR A 45 -2.486 -6.813 14.205 1.00 31.40 H new ATOM 0 HA TYR A 45 -3.591 -7.250 16.828 1.00 4.22 H new ATOM 0 HB2 TYR A 45 -4.499 -7.301 13.980 1.00 35.40 H new ATOM 0 HB3 TYR A 45 -5.405 -8.296 15.102 1.00 35.40 H new ATOM 0 HD1 TYR A 45 -4.009 -4.809 14.918 1.00 35.30 H new ATOM 0 HD2 TYR A 45 -7.223 -7.308 16.178 1.00 31.30 H new ATOM 0 HE1 TYR A 45 -5.255 -2.828 15.666 1.00 50.00 H new ATOM 0 HE2 TYR A 45 -8.470 -5.328 16.926 1.00 41.00 H new ATOM 0 HH TYR A 45 -8.497 -3.130 17.132 1.00 41.30 H new ATOM 689 N GLU A 46 -3.368 -9.905 14.871 1.00 22.30 N ATOM 690 CA GLU A 46 -3.176 -11.350 14.876 1.00 53.10 C ATOM 691 C GLU A 46 -2.301 -11.780 13.706 1.00 73.30 C ATOM 692 O GLU A 46 -2.631 -11.540 12.546 1.00 5.44 O ATOM 693 CB GLU A 46 -4.527 -12.060 14.813 1.00 32.10 C ATOM 694 CG GLU A 46 -4.545 -13.390 15.542 1.00 51.40 C ATOM 695 CD GLU A 46 -5.518 -14.380 14.928 1.00 33.30 C ATOM 696 OE1 GLU A 46 -6.464 -13.940 14.245 1.00 44.50 O ATOM 697 OE2 GLU A 46 -5.334 -15.600 15.130 1.00 35.50 O ATOM 0 H GLU A 46 -3.591 -9.513 13.956 1.00 22.30 H new ATOM 0 HA GLU A 46 -2.673 -11.628 15.802 1.00 53.10 H new ATOM 0 HB2 GLU A 46 -5.291 -11.410 15.240 1.00 32.10 H new ATOM 0 HB3 GLU A 46 -4.795 -12.223 13.769 1.00 32.10 H new ATOM 0 HG2 GLU A 46 -3.543 -13.818 15.533 1.00 51.40 H new ATOM 0 HG3 GLU A 46 -4.812 -13.224 16.586 1.00 51.40 H new ATOM 704 N ALA A 47 -1.183 -12.430 14.019 1.00 0.42 N ATOM 705 CA ALA A 47 -0.260 -12.900 12.994 1.00 51.20 C ATOM 706 C ALA A 47 -0.128 -14.420 13.032 1.00 51.20 C ATOM 707 O ALA A 47 -0.277 -15.040 14.084 1.00 34.40 O ATOM 708 CB ALA A 47 1.102 -12.250 13.170 1.00 15.40 C ATOM 0 H ALA A 47 -0.896 -12.642 14.974 1.00 0.42 H new ATOM 0 HA ALA A 47 -0.663 -12.617 12.021 1.00 51.20 H new ATOM 0 HB1 ALA A 47 1.780 -12.611 12.397 1.00 15.40 H new ATOM 0 HB2 ALA A 47 1.002 -11.168 13.088 1.00 15.40 H new ATOM 0 HB3 ALA A 47 1.502 -12.504 14.151 1.00 15.40 H new ATOM 714 N HIS A 48 0.153 -15.010 11.876 1.00 51.20 N ATOM 715 CA HIS A 48 0.306 -16.460 11.777 1.00 44.30 C ATOM 716 C HIS A 48 1.557 -16.930 12.512 1.00 43.20 C ATOM 717 O HIS A 48 1.471 -17.620 13.526 1.00 75.40 O ATOM 718 CB HIS A 48 0.374 -16.890 10.309 1.00 43.40 C ATOM 719 CG HIS A 48 -0.219 -18.240 10.051 1.00 25.50 C ATOM 720 ND1 HIS A 48 -1.564 -18.510 10.186 1.00 32.20 N ATOM 721 CD2 HIS A 48 0.359 -19.400 9.663 1.00 43.00 C ATOM 722 CE1 HIS A 48 -1.788 -19.780 9.894 1.00 72.30 C ATOM 723 NE2 HIS A 48 -0.638 -20.340 9.572 1.00 1.21 N ATOM 0 H HIS A 48 0.280 -14.510 10.996 1.00 51.20 H new ATOM 0 HA HIS A 48 -0.564 -16.921 12.245 1.00 44.30 H new ATOM 0 HB2 HIS A 48 -0.146 -16.152 9.699 1.00 43.40 H new ATOM 0 HB3 HIS A 48 1.416 -16.893 9.988 1.00 43.40 H new ATOM 0 HD2 HIS A 48 1.408 -19.557 9.462 1.00 43.00 H new ATOM 0 HE1 HIS A 48 -2.748 -20.274 9.915 1.00 72.30 H new ATOM 0 HE2 HIS A 48 -0.510 -21.314 9.299 1.00 1.21 H new ATOM 732 N SER A 49 2.720 -16.540 11.996 1.00 43.30 N ATOM 733 CA SER A 49 3.990 -16.920 12.604 1.00 31.40 C ATOM 734 C SER A 49 5.112 -16.000 12.143 1.00 41.20 C ATOM 735 O SER A 49 4.879 -15.050 11.396 1.00 51.30 O ATOM 736 CB SER A 49 4.332 -18.370 12.257 1.00 41.20 C ATOM 737 OG SER A 49 3.868 -18.710 10.962 1.00 24.20 O ATOM 0 H SER A 49 2.808 -15.962 11.160 1.00 43.30 H new ATOM 0 HA SER A 49 3.888 -16.825 13.685 1.00 31.40 H new ATOM 0 HB2 SER A 49 5.411 -18.514 12.309 1.00 41.20 H new ATOM 0 HB3 SER A 49 3.885 -19.038 12.993 1.00 41.20 H new ATOM 0 HG SER A 49 4.101 -19.641 10.765 1.00 24.20 H new ATOM 743 N ASP A 50 6.329 -16.280 12.592 1.00 33.10 N ATOM 744 CA ASP A 50 7.488 -15.480 12.225 1.00 32.40 C ATOM 745 C ASP A 50 7.771 -15.580 10.730 1.00 11.00 C ATOM 746 O ASP A 50 7.976 -14.570 10.055 1.00 13.20 O ATOM 747 CB ASP A 50 8.717 -15.920 13.021 1.00 2.32 C ATOM 748 CG ASP A 50 9.619 -14.760 13.387 1.00 3.52 C ATOM 749 OD1 ASP A 50 9.641 -13.760 12.632 1.00 64.20 O ATOM 750 OD2 ASP A 50 10.305 -14.840 14.427 1.00 11.20 O ATOM 0 H ASP A 50 6.538 -17.060 13.215 1.00 33.10 H new ATOM 0 HA ASP A 50 7.266 -14.440 12.464 1.00 32.40 H new ATOM 0 HB2 ASP A 50 8.394 -16.426 13.931 1.00 2.32 H new ATOM 0 HB3 ASP A 50 9.283 -16.646 12.437 1.00 2.32 H new ATOM 755 N LYS A 51 7.782 -16.810 10.219 1.00 21.20 N ATOM 756 CA LYS A 51 8.040 -17.040 8.803 1.00 33.30 C ATOM 757 C LYS A 51 6.993 -16.350 7.937 1.00 30.30 C ATOM 758 O LYS A 51 7.325 -15.690 6.950 1.00 30.00 O ATOM 759 CB LYS A 51 8.051 -18.540 8.508 1.00 44.00 C ATOM 760 CG LYS A 51 8.884 -18.920 7.293 1.00 61.30 C ATOM 761 CD LYS A 51 8.635 -20.360 6.870 1.00 42.20 C ATOM 762 CE LYS A 51 8.707 -20.510 5.360 1.00 64.30 C ATOM 763 NZ LYS A 51 9.324 -21.810 4.964 1.00 32.00 N ATOM 0 H LYS A 51 7.616 -17.657 10.763 1.00 21.20 H new ATOM 0 HA LYS A 51 9.016 -16.618 8.564 1.00 33.30 H new ATOM 0 HB2 LYS A 51 8.435 -19.070 9.380 1.00 44.00 H new ATOM 0 HB3 LYS A 51 7.026 -18.878 8.355 1.00 44.00 H new ATOM 0 HG2 LYS A 51 8.647 -18.251 6.465 1.00 61.30 H new ATOM 0 HG3 LYS A 51 9.942 -18.785 7.520 1.00 61.30 H new ATOM 0 HD2 LYS A 51 9.372 -21.012 7.338 1.00 42.20 H new ATOM 0 HD3 LYS A 51 7.655 -20.681 7.224 1.00 42.20 H new ATOM 0 HE2 LYS A 51 7.704 -20.440 4.939 1.00 64.30 H new ATOM 0 HE3 LYS A 51 9.287 -19.689 4.940 1.00 64.30 H new ATOM 0 HZ1 LYS A 51 9.356 -21.877 3.927 1.00 32.00 H new ATOM 0 HZ2 LYS A 51 10.290 -21.866 5.345 1.00 32.00 H new ATOM 0 HZ3 LYS A 51 8.756 -22.594 5.344 1.00 32.00 H new ATOM 777 N ALA A 52 5.727 -16.500 8.312 1.00 13.30 N ATOM 778 CA ALA A 52 4.632 -15.890 7.570 1.00 13.30 C ATOM 779 C ALA A 52 4.720 -14.370 7.612 1.00 14.30 C ATOM 780 O ALA A 52 4.480 -13.700 6.611 1.00 71.30 O ATOM 781 CB ALA A 52 3.294 -16.360 8.123 1.00 74.30 C ATOM 0 H ALA A 52 5.435 -17.040 9.127 1.00 13.30 H new ATOM 0 HA ALA A 52 4.712 -16.203 6.529 1.00 13.30 H new ATOM 0 HB1 ALA A 52 2.484 -15.896 7.559 1.00 74.30 H new ATOM 0 HB2 ALA A 52 3.224 -17.444 8.034 1.00 74.30 H new ATOM 0 HB3 ALA A 52 3.214 -16.076 9.172 1.00 74.30 H new ATOM 787 N LYS A 53 5.068 -13.840 8.778 1.00 44.30 N ATOM 788 CA LYS A 53 5.188 -12.390 8.951 1.00 45.50 C ATOM 789 C LYS A 53 6.244 -11.820 8.012 1.00 54.10 C ATOM 790 O LYS A 53 6.135 -10.680 7.562 1.00 41.50 O ATOM 791 CB LYS A 53 5.544 -12.060 10.402 1.00 5.54 C ATOM 792 CG LYS A 53 4.331 -11.860 11.295 1.00 73.30 C ATOM 793 CD LYS A 53 4.645 -10.940 12.464 1.00 34.40 C ATOM 794 CE LYS A 53 4.932 -11.730 13.731 1.00 1.01 C ATOM 795 NZ LYS A 53 5.905 -12.830 13.492 1.00 61.40 N ATOM 0 H LYS A 53 5.272 -14.385 9.616 1.00 44.30 H new ATOM 0 HA LYS A 53 4.228 -11.935 8.707 1.00 45.50 H new ATOM 0 HB2 LYS A 53 6.156 -12.865 10.809 1.00 5.54 H new ATOM 0 HB3 LYS A 53 6.152 -11.156 10.422 1.00 5.54 H new ATOM 0 HG2 LYS A 53 3.513 -11.440 10.710 1.00 73.30 H new ATOM 0 HG3 LYS A 53 3.992 -12.825 11.671 1.00 73.30 H new ATOM 0 HD2 LYS A 53 5.506 -10.318 12.218 1.00 34.40 H new ATOM 0 HD3 LYS A 53 3.805 -10.267 12.635 1.00 34.40 H new ATOM 0 HE2 LYS A 53 5.323 -11.059 14.496 1.00 1.01 H new ATOM 0 HE3 LYS A 53 4.002 -12.146 14.118 1.00 1.01 H new ATOM 0 HZ1 LYS A 53 6.215 -13.223 14.403 1.00 61.40 H new ATOM 0 HZ2 LYS A 53 5.452 -13.578 12.929 1.00 61.40 H new ATOM 0 HZ3 LYS A 53 6.729 -12.459 12.977 1.00 61.40 H new ATOM 809 N GLU A 54 7.266 -12.620 7.720 1.00 40.30 N ATOM 810 CA GLU A 54 8.342 -12.190 6.834 1.00 73.30 C ATOM 811 C GLU A 54 7.858 -12.110 5.390 1.00 72.10 C ATOM 812 O GLU A 54 8.227 -11.190 4.651 1.00 64.40 O ATOM 813 CB GLU A 54 9.527 -13.150 6.934 1.00 2.44 C ATOM 814 CG GLU A 54 10.871 -12.490 6.677 1.00 4.21 C ATOM 815 CD GLU A 54 11.986 -13.490 6.466 1.00 60.40 C ATOM 816 OE1 GLU A 54 12.270 -14.270 7.402 1.00 70.20 O ATOM 817 OE2 GLU A 54 12.574 -13.500 5.364 1.00 71.00 O ATOM 0 H GLU A 54 7.371 -13.567 8.083 1.00 40.30 H new ATOM 0 HA GLU A 54 8.661 -11.196 7.147 1.00 73.30 H new ATOM 0 HB2 GLU A 54 9.537 -13.599 7.927 1.00 2.44 H new ATOM 0 HB3 GLU A 54 9.388 -13.961 6.219 1.00 2.44 H new ATOM 0 HG2 GLU A 54 10.793 -11.849 5.799 1.00 4.21 H new ATOM 0 HG3 GLU A 54 11.121 -11.846 7.520 1.00 4.21 H new ATOM 824 N SER A 55 7.030 -13.070 4.995 1.00 34.20 N ATOM 825 CA SER A 55 6.495 -13.110 3.639 1.00 64.30 C ATOM 826 C SER A 55 5.476 -11.990 3.424 1.00 41.00 C ATOM 827 O SER A 55 5.511 -11.290 2.412 1.00 11.20 O ATOM 828 CB SER A 55 5.848 -14.460 3.361 1.00 21.10 C ATOM 829 OG SER A 55 5.301 -14.510 2.054 1.00 60.20 O ATOM 0 H SER A 55 6.714 -13.832 5.595 1.00 34.20 H new ATOM 0 HA SER A 55 7.323 -12.965 2.945 1.00 64.30 H new ATOM 0 HB2 SER A 55 6.588 -15.251 3.478 1.00 21.10 H new ATOM 0 HB3 SER A 55 5.063 -14.647 4.094 1.00 21.10 H new ATOM 0 HG SER A 55 4.894 -15.389 1.903 1.00 60.20 H new ATOM 835 N ILE A 56 4.570 -11.830 4.383 1.00 51.30 N ATOM 836 CA ILE A 56 3.542 -10.800 4.300 1.00 4.30 C ATOM 837 C ILE A 56 4.162 -9.412 4.274 1.00 11.20 C ATOM 838 O ILE A 56 3.618 -8.490 3.667 1.00 41.10 O ATOM 839 CB ILE A 56 2.556 -10.890 5.481 1.00 33.20 C ATOM 840 CG1 ILE A 56 2.027 -12.320 5.627 1.00 24.40 C ATOM 841 CG2 ILE A 56 1.407 -9.917 5.291 1.00 2.02 C ATOM 842 CD1 ILE A 56 1.930 -12.780 7.064 1.00 15.10 C ATOM 0 H ILE A 56 4.527 -12.401 5.227 1.00 51.30 H new ATOM 0 HA ILE A 56 2.997 -10.970 3.372 1.00 4.30 H new ATOM 0 HB ILE A 56 3.087 -10.621 6.394 1.00 33.20 H new ATOM 0 HG12 ILE A 56 1.042 -12.384 5.165 1.00 24.40 H new ATOM 0 HG13 ILE A 56 2.680 -12.999 5.079 1.00 24.40 H new ATOM 0 HG21 ILE A 56 0.721 -9.995 6.135 1.00 2.02 H new ATOM 0 HG22 ILE A 56 1.797 -8.901 5.233 1.00 2.02 H new ATOM 0 HG23 ILE A 56 0.877 -10.156 4.369 1.00 2.02 H new ATOM 0 HD11 ILE A 56 1.549 -13.801 7.094 1.00 15.10 H new ATOM 0 HD12 ILE A 56 2.918 -12.748 7.524 1.00 15.10 H new ATOM 0 HD13 ILE A 56 1.254 -12.123 7.611 1.00 15.10 H new ATOM 854 N ARG A 57 5.305 -9.266 4.938 1.00 41.30 N ATOM 855 CA ARG A 57 5.999 -7.985 4.991 1.00 2.32 C ATOM 856 C ARG A 57 6.499 -7.580 3.608 1.00 13.40 C ATOM 857 O ARG A 57 6.250 -6.464 3.150 1.00 43.40 O ATOM 858 CB ARG A 57 7.173 -8.058 5.971 1.00 65.10 C ATOM 859 CG ARG A 57 6.839 -7.537 7.359 1.00 11.50 C ATOM 860 CD ARG A 57 7.846 -8.018 8.391 1.00 61.30 C ATOM 861 NE ARG A 57 9.167 -7.431 8.182 1.00 61.20 N ATOM 862 CZ ARG A 57 10.166 -7.523 9.056 1.00 72.40 C ATOM 863 NH1 ARG A 57 9.999 -8.176 10.200 1.00 63.40 N ATOM 864 NH2 ARG A 57 11.337 -6.961 8.787 1.00 62.30 N ATOM 0 H ARG A 57 5.769 -10.019 5.446 1.00 41.30 H new ATOM 0 HA ARG A 57 5.293 -7.230 5.337 1.00 2.32 H new ATOM 0 HB2 ARG A 57 7.505 -9.093 6.051 1.00 65.10 H new ATOM 0 HB3 ARG A 57 8.008 -7.485 5.568 1.00 65.10 H new ATOM 0 HG2 ARG A 57 6.822 -6.447 7.346 1.00 11.50 H new ATOM 0 HG3 ARG A 57 5.840 -7.868 7.642 1.00 11.50 H new ATOM 0 HD2 ARG A 57 7.491 -7.765 9.390 1.00 61.30 H new ATOM 0 HD3 ARG A 57 7.921 -9.104 8.346 1.00 61.30 H new ATOM 0 HE ARG A 57 9.334 -6.920 7.315 1.00 61.20 H new ATOM 0 HH11 ARG A 57 9.101 -8.611 10.413 1.00 63.40 H new ATOM 0 HH12 ARG A 57 10.769 -8.243 10.866 1.00 63.40 H new ATOM 0 HH21 ARG A 57 11.472 -6.458 7.910 1.00 62.30 H new ATOM 0 HH22 ARG A 57 12.103 -7.032 9.457 1.00 62.30 H new ATOM 878 N ALA A 58 7.204 -8.493 2.947 1.00 40.20 N ATOM 879 CA ALA A 58 7.738 -8.230 1.616 1.00 70.40 C ATOM 880 C ALA A 58 6.627 -7.844 0.645 1.00 21.20 C ATOM 881 O ALA A 58 6.836 -7.044 -0.267 1.00 61.40 O ATOM 882 CB ALA A 58 8.492 -9.447 1.101 1.00 71.20 C ATOM 0 H ALA A 58 7.418 -9.421 3.312 1.00 40.20 H new ATOM 0 HA ALA A 58 8.430 -7.391 1.688 1.00 70.40 H new ATOM 0 HB1 ALA A 58 8.885 -9.237 0.106 1.00 71.20 H new ATOM 0 HB2 ALA A 58 9.316 -9.677 1.776 1.00 71.20 H new ATOM 0 HB3 ALA A 58 7.815 -10.300 1.051 1.00 71.20 H new ATOM 888 N LYS A 59 5.445 -8.416 0.849 1.00 15.30 N ATOM 889 CA LYS A 59 4.300 -8.130 -0.007 1.00 2.42 C ATOM 890 C LYS A 59 3.775 -6.720 0.242 1.00 3.13 C ATOM 891 O LYS A 59 3.246 -6.075 -0.663 1.00 45.10 O ATOM 892 CB LYS A 59 3.188 -9.152 0.235 1.00 11.10 C ATOM 893 CG LYS A 59 3.312 -10.400 -0.622 1.00 74.40 C ATOM 894 CD LYS A 59 1.948 -10.940 -1.020 1.00 12.40 C ATOM 895 CE LYS A 59 2.051 -12.340 -1.592 1.00 25.40 C ATOM 896 NZ LYS A 59 1.756 -13.380 -0.567 1.00 61.10 N ATOM 0 H LYS A 59 5.255 -9.080 1.600 1.00 15.30 H new ATOM 0 HA LYS A 59 4.626 -8.199 -1.045 1.00 2.42 H new ATOM 0 HB2 LYS A 59 3.194 -9.441 1.286 1.00 11.10 H new ATOM 0 HB3 LYS A 59 2.225 -8.681 0.039 1.00 11.10 H new ATOM 0 HG2 LYS A 59 3.890 -10.172 -1.518 1.00 74.40 H new ATOM 0 HG3 LYS A 59 3.862 -11.165 -0.075 1.00 74.40 H new ATOM 0 HD2 LYS A 59 1.291 -10.948 -0.150 1.00 12.40 H new ATOM 0 HD3 LYS A 59 1.494 -10.277 -1.757 1.00 12.40 H new ATOM 0 HE2 LYS A 59 1.356 -12.444 -2.426 1.00 25.40 H new ATOM 0 HE3 LYS A 59 3.053 -12.497 -1.991 1.00 25.40 H new ATOM 0 HZ1 LYS A 59 1.837 -14.324 -0.997 1.00 61.10 H new ATOM 0 HZ2 LYS A 59 2.435 -13.297 0.217 1.00 61.10 H new ATOM 0 HZ3 LYS A 59 0.790 -13.246 -0.205 1.00 61.10 H new ATOM 910 N CYS A 60 3.925 -6.248 1.476 1.00 63.50 N ATOM 911 CA CYS A 60 3.467 -4.914 1.844 1.00 41.30 C ATOM 912 C CYS A 60 4.461 -3.852 1.386 1.00 60.40 C ATOM 913 O CYS A 60 4.075 -2.834 0.811 1.00 74.40 O ATOM 914 CB CYS A 60 3.265 -4.821 3.358 1.00 33.40 C ATOM 915 SG CYS A 60 1.996 -5.935 4.003 1.00 60.20 S ATOM 0 H CYS A 60 4.360 -6.770 2.237 1.00 63.50 H new ATOM 0 HA CYS A 60 2.515 -4.734 1.345 1.00 41.30 H new ATOM 0 HB2 CYS A 60 4.211 -5.039 3.854 1.00 33.40 H new ATOM 0 HB3 CYS A 60 2.999 -3.796 3.616 1.00 33.40 H new ATOM 0 HG CYS A 60 2.437 -7.158 3.974 1.00 60.20 H new ATOM 921 N VAL A 61 5.741 -4.096 1.644 1.00 32.10 N ATOM 922 CA VAL A 61 6.791 -3.161 1.257 1.00 73.10 C ATOM 923 C VAL A 61 6.789 -2.925 -0.249 1.00 1.41 C ATOM 924 O VAL A 61 7.133 -1.840 -0.718 1.00 14.40 O ATOM 925 CB VAL A 61 8.181 -3.668 1.684 1.00 65.40 C ATOM 926 CG1 VAL A 61 9.237 -2.599 1.445 1.00 21.30 C ATOM 927 CG2 VAL A 61 8.168 -4.099 3.143 1.00 4.41 C ATOM 0 H VAL A 61 6.077 -4.934 2.120 1.00 32.10 H new ATOM 0 HA VAL A 61 6.582 -2.222 1.770 1.00 73.10 H new ATOM 0 HB VAL A 61 8.433 -4.536 1.075 1.00 65.40 H new ATOM 0 HG11 VAL A 61 10.212 -2.976 1.753 1.00 21.30 H new ATOM 0 HG12 VAL A 61 9.264 -2.345 0.385 1.00 21.30 H new ATOM 0 HG13 VAL A 61 8.992 -1.709 2.025 1.00 21.30 H new ATOM 0 HG21 VAL A 61 9.159 -4.454 3.426 1.00 4.41 H new ATOM 0 HG22 VAL A 61 7.893 -3.251 3.770 1.00 4.41 H new ATOM 0 HG23 VAL A 61 7.443 -4.901 3.279 1.00 4.41 H new ATOM 937 N GLN A 62 6.400 -3.948 -1.003 1.00 65.10 N ATOM 938 CA GLN A 62 6.353 -3.852 -2.457 1.00 43.10 C ATOM 939 C GLN A 62 5.111 -3.092 -2.912 1.00 63.30 C ATOM 940 O GLN A 62 5.175 -2.269 -3.826 1.00 50.40 O ATOM 941 CB GLN A 62 6.367 -5.249 -3.082 1.00 74.00 C ATOM 942 CG GLN A 62 6.757 -5.254 -4.551 1.00 10.20 C ATOM 943 CD GLN A 62 7.421 -6.550 -4.973 1.00 15.30 C ATOM 944 OE1 GLN A 62 7.317 -7.566 -4.287 1.00 63.20 O ATOM 945 NE2 GLN A 62 8.109 -6.520 -6.109 1.00 52.10 N ATOM 0 H GLN A 62 6.113 -4.853 -0.631 1.00 65.10 H new ATOM 0 HA GLN A 62 7.235 -3.304 -2.789 1.00 43.10 H new ATOM 0 HB2 GLN A 62 7.063 -5.879 -2.528 1.00 74.00 H new ATOM 0 HB3 GLN A 62 5.378 -5.696 -2.976 1.00 74.00 H new ATOM 0 HG2 GLN A 62 5.868 -5.091 -5.160 1.00 10.20 H new ATOM 0 HG3 GLN A 62 7.434 -4.423 -4.746 1.00 10.20 H new ATOM 0 HE21 GLN A 62 8.169 -5.655 -6.646 1.00 52.10 H new ATOM 0 HE22 GLN A 62 8.577 -7.362 -6.444 1.00 52.10 H new ATOM 954 N TYR A 63 3.983 -3.372 -2.268 1.00 41.30 N ATOM 955 CA TYR A 63 2.727 -2.714 -2.607 1.00 32.40 C ATOM 956 C TYR A 63 2.742 -1.254 -2.167 1.00 32.20 C ATOM 957 O TYR A 63 2.126 -0.397 -2.802 1.00 62.50 O ATOM 958 CB TYR A 63 1.552 -3.443 -1.952 1.00 74.20 C ATOM 959 CG TYR A 63 1.121 -4.688 -2.695 1.00 42.20 C ATOM 960 CD1 TYR A 63 0.969 -4.678 -4.076 1.00 0.04 C ATOM 961 CD2 TYR A 63 0.866 -5.872 -2.016 1.00 13.40 C ATOM 962 CE1 TYR A 63 0.575 -5.813 -4.759 1.00 0.32 C ATOM 963 CE2 TYR A 63 0.472 -7.012 -2.691 1.00 51.40 C ATOM 964 CZ TYR A 63 0.328 -6.976 -4.062 1.00 50.50 C ATOM 965 OH TYR A 63 -0.065 -8.109 -4.738 1.00 61.40 O ATOM 0 H TYR A 63 3.913 -4.050 -1.509 1.00 41.30 H new ATOM 0 HA TYR A 63 2.609 -2.748 -3.690 1.00 32.40 H new ATOM 0 HB2 TYR A 63 1.827 -3.715 -0.933 1.00 74.20 H new ATOM 0 HB3 TYR A 63 0.705 -2.760 -1.882 1.00 74.20 H new ATOM 0 HD1 TYR A 63 1.162 -3.768 -4.625 1.00 0.04 H new ATOM 0 HD2 TYR A 63 0.977 -5.903 -0.942 1.00 13.40 H new ATOM 0 HE1 TYR A 63 0.461 -5.789 -5.833 1.00 0.32 H new ATOM 0 HE2 TYR A 63 0.278 -7.925 -2.148 1.00 51.40 H new ATOM 0 HH TYR A 63 -0.197 -8.841 -4.100 1.00 61.40 H new ATOM 975 N LEU A 64 3.450 -0.977 -1.077 1.00 34.20 N ATOM 976 CA LEU A 64 3.546 0.381 -0.552 1.00 15.20 C ATOM 977 C LEU A 64 4.386 1.261 -1.472 1.00 61.30 C ATOM 978 O LEU A 64 4.053 2.421 -1.712 1.00 13.10 O ATOM 979 CB LEU A 64 4.152 0.365 0.852 1.00 30.30 C ATOM 980 CG LEU A 64 3.772 1.555 1.735 1.00 14.30 C ATOM 981 CD1 LEU A 64 3.707 1.137 3.195 1.00 33.30 C ATOM 982 CD2 LEU A 64 4.763 2.694 1.548 1.00 62.30 C ATOM 0 H LEU A 64 3.966 -1.674 -0.540 1.00 34.20 H new ATOM 0 HA LEU A 64 2.540 0.797 -0.501 1.00 15.20 H new ATOM 0 HB2 LEU A 64 3.845 -0.553 1.353 1.00 30.30 H new ATOM 0 HB3 LEU A 64 5.238 0.331 0.762 1.00 30.30 H new ATOM 0 HG LEU A 64 2.784 1.906 1.435 1.00 14.30 H new ATOM 0 HD11 LEU A 64 3.435 1.997 3.808 1.00 33.30 H new ATOM 0 HD12 LEU A 64 2.959 0.354 3.316 1.00 33.30 H new ATOM 0 HD13 LEU A 64 4.680 0.760 3.509 1.00 33.30 H new ATOM 0 HD21 LEU A 64 4.478 3.532 2.183 1.00 62.30 H new ATOM 0 HD22 LEU A 64 5.762 2.355 1.821 1.00 62.30 H new ATOM 0 HD23 LEU A 64 4.760 3.012 0.505 1.00 62.30 H new ATOM 994 N ASP A 65 5.476 0.700 -1.985 1.00 24.30 N ATOM 995 CA ASP A 65 6.364 1.434 -2.880 1.00 11.30 C ATOM 996 C ASP A 65 5.660 1.770 -4.190 1.00 10.40 C ATOM 997 O ASP A 65 5.900 2.821 -4.784 1.00 24.00 O ATOM 998 CB ASP A 65 7.627 0.618 -3.161 1.00 72.30 C ATOM 999 CG ASP A 65 8.838 1.495 -3.411 1.00 64.10 C ATOM 1000 OD1 ASP A 65 8.988 1.990 -4.548 1.00 55.00 O ATOM 1001 OD2 ASP A 65 9.637 1.686 -2.471 1.00 51.00 O ATOM 0 H ASP A 65 5.766 -0.260 -1.797 1.00 24.30 H new ATOM 0 HA ASP A 65 6.644 2.366 -2.389 1.00 11.30 H new ATOM 0 HB2 ASP A 65 7.827 -0.040 -2.315 1.00 72.30 H new ATOM 0 HB3 ASP A 65 7.459 -0.020 -4.029 1.00 72.30 H new ATOM 1006 N ARG A 66 4.789 0.871 -4.635 1.00 73.20 N ATOM 1007 CA ARG A 66 4.049 1.072 -5.876 1.00 50.00 C ATOM 1008 C ARG A 66 3.056 2.222 -5.737 1.00 71.20 C ATOM 1009 O ARG A 66 2.878 3.017 -6.660 1.00 74.30 O ATOM 1010 CB ARG A 66 3.311 -0.209 -6.268 1.00 21.00 C ATOM 1011 CG ARG A 66 3.091 -0.351 -7.765 1.00 5.20 C ATOM 1012 CD ARG A 66 3.074 -1.810 -8.190 1.00 23.10 C ATOM 1013 NE ARG A 66 2.444 -1.993 -9.496 1.00 25.10 N ATOM 1014 CZ ARG A 66 2.577 -3.091 -10.230 1.00 72.50 C ATOM 1015 NH1 ARG A 66 3.315 -4.106 -9.803 1.00 3.34 N ATOM 1016 NH2 ARG A 66 1.970 -3.175 -11.410 1.00 3.11 N ATOM 0 H ARG A 66 4.578 -0.004 -4.155 1.00 73.20 H new ATOM 0 HA ARG A 66 4.764 1.325 -6.659 1.00 50.00 H new ATOM 0 HB2 ARG A 66 3.877 -1.069 -5.909 1.00 21.00 H new ATOM 0 HB3 ARG A 66 2.345 -0.231 -5.764 1.00 21.00 H new ATOM 0 HG2 ARG A 66 2.148 0.120 -8.041 1.00 5.20 H new ATOM 0 HG3 ARG A 66 3.880 0.176 -8.301 1.00 5.20 H new ATOM 0 HD2 ARG A 66 4.095 -2.190 -8.224 1.00 23.10 H new ATOM 0 HD3 ARG A 66 2.540 -2.399 -7.444 1.00 23.10 H new ATOM 0 HE ARG A 66 1.870 -1.234 -9.864 1.00 25.10 H new ATOM 0 HH11 ARG A 66 3.788 -4.049 -8.901 1.00 3.34 H new ATOM 0 HH12 ARG A 66 3.410 -4.944 -10.376 1.00 3.34 H new ATOM 0 HH21 ARG A 66 1.404 -2.397 -11.749 1.00 3.11 H new ATOM 0 HH22 ARG A 66 2.070 -4.017 -11.976 1.00 3.11 H new ATOM 1030 N ALA A 67 2.411 2.304 -4.577 1.00 53.40 N ATOM 1031 CA ALA A 67 1.437 3.356 -4.317 1.00 51.30 C ATOM 1032 C ALA A 67 2.075 4.736 -4.431 1.00 23.30 C ATOM 1033 O ALA A 67 1.560 5.614 -5.124 1.00 30.10 O ATOM 1034 CB ALA A 67 0.817 3.172 -2.940 1.00 14.10 C ATOM 0 H ALA A 67 2.546 1.654 -3.803 1.00 53.40 H new ATOM 0 HA ALA A 67 0.652 3.284 -5.070 1.00 51.30 H new ATOM 0 HB1 ALA A 67 0.091 3.965 -2.759 1.00 14.10 H new ATOM 0 HB2 ALA A 67 0.317 2.205 -2.892 1.00 14.10 H new ATOM 0 HB3 ALA A 67 1.598 3.215 -2.181 1.00 14.10 H new ATOM 1040 N GLU A 68 3.199 4.921 -3.747 1.00 61.10 N ATOM 1041 CA GLU A 68 3.908 6.195 -3.772 1.00 22.20 C ATOM 1042 C GLU A 68 4.338 6.551 -5.192 1.00 41.00 C ATOM 1043 O GLU A 68 4.404 7.725 -5.555 1.00 53.00 O ATOM 1044 CB GLU A 68 5.131 6.141 -2.855 1.00 40.30 C ATOM 1045 CG GLU A 68 6.154 5.095 -3.267 1.00 52.10 C ATOM 1046 CD GLU A 68 7.516 5.336 -2.647 1.00 72.20 C ATOM 1047 OE1 GLU A 68 7.633 5.228 -1.408 1.00 71.00 O ATOM 1048 OE2 GLU A 68 8.467 5.634 -3.400 1.00 52.30 O ATOM 0 H GLU A 68 3.639 4.205 -3.169 1.00 61.10 H new ATOM 0 HA GLU A 68 3.228 6.967 -3.413 1.00 22.20 H new ATOM 0 HB2 GLU A 68 5.609 7.120 -2.843 1.00 40.30 H new ATOM 0 HB3 GLU A 68 4.802 5.934 -1.836 1.00 40.30 H new ATOM 0 HG2 GLU A 68 5.796 4.108 -2.976 1.00 52.10 H new ATOM 0 HG3 GLU A 68 6.248 5.092 -4.353 1.00 52.10 H new ATOM 1055 N LYS A 69 4.629 5.529 -5.990 1.00 35.40 N ATOM 1056 CA LYS A 69 5.052 5.734 -7.370 1.00 23.40 C ATOM 1057 C LYS A 69 3.916 6.311 -8.208 1.00 51.10 C ATOM 1058 O LYS A 69 4.130 7.194 -9.038 1.00 65.30 O ATOM 1059 CB LYS A 69 5.532 4.415 -7.979 1.00 22.30 C ATOM 1060 CG LYS A 69 6.272 4.587 -9.296 1.00 43.40 C ATOM 1061 CD LYS A 69 7.127 3.372 -9.617 1.00 72.50 C ATOM 1062 CE LYS A 69 7.590 3.384 -11.060 1.00 52.10 C ATOM 1063 NZ LYS A 69 8.711 2.431 -11.290 1.00 1.33 N ATOM 0 H LYS A 69 4.580 4.551 -5.705 1.00 35.40 H new ATOM 0 HA LYS A 69 5.876 6.447 -7.369 1.00 23.40 H new ATOM 0 HB2 LYS A 69 6.187 3.912 -7.267 1.00 22.30 H new ATOM 0 HB3 LYS A 69 4.673 3.763 -8.137 1.00 22.30 H new ATOM 0 HG2 LYS A 69 5.554 4.750 -10.099 1.00 43.40 H new ATOM 0 HG3 LYS A 69 6.903 5.475 -9.247 1.00 43.40 H new ATOM 0 HD2 LYS A 69 7.993 3.351 -8.956 1.00 72.50 H new ATOM 0 HD3 LYS A 69 6.557 2.463 -9.424 1.00 72.50 H new ATOM 0 HE2 LYS A 69 6.755 3.127 -11.712 1.00 52.10 H new ATOM 0 HE3 LYS A 69 7.908 4.391 -11.331 1.00 52.10 H new ATOM 0 HZ1 LYS A 69 8.999 2.469 -12.289 1.00 1.33 H new ATOM 0 HZ2 LYS A 69 9.517 2.691 -10.687 1.00 1.33 H new ATOM 0 HZ3 LYS A 69 8.400 1.467 -11.055 1.00 1.33 H new ATOM 1077 N LEU A 70 2.707 5.805 -7.984 1.00 11.10 N ATOM 1078 CA LEU A 70 1.536 6.270 -8.718 1.00 11.20 C ATOM 1079 C LEU A 70 1.238 7.731 -8.398 1.00 71.20 C ATOM 1080 O LEU A 70 0.738 8.473 -9.243 1.00 32.40 O ATOM 1081 CB LEU A 70 0.321 5.404 -8.383 1.00 33.00 C ATOM 1082 CG LEU A 70 0.536 3.898 -8.539 1.00 33.40 C ATOM 1083 CD1 LEU A 70 -0.285 3.131 -7.515 1.00 31.00 C ATOM 1084 CD2 LEU A 70 0.181 3.453 -9.950 1.00 63.50 C ATOM 0 H LEU A 70 2.513 5.073 -7.300 1.00 11.10 H new ATOM 0 HA LEU A 70 1.750 6.187 -9.784 1.00 11.20 H new ATOM 0 HB2 LEU A 70 0.021 5.608 -7.355 1.00 33.00 H new ATOM 0 HB3 LEU A 70 -0.508 5.705 -9.023 1.00 33.00 H new ATOM 0 HG LEU A 70 1.590 3.681 -8.364 1.00 33.40 H new ATOM 0 HD11 LEU A 70 -0.118 2.061 -7.642 1.00 31.00 H new ATOM 0 HD12 LEU A 70 0.017 3.428 -6.511 1.00 31.00 H new ATOM 0 HD13 LEU A 70 -1.343 3.353 -7.657 1.00 31.00 H new ATOM 0 HD21 LEU A 70 0.340 2.379 -10.043 1.00 63.50 H new ATOM 0 HD22 LEU A 70 -0.865 3.684 -10.152 1.00 63.50 H new ATOM 0 HD23 LEU A 70 0.813 3.977 -10.667 1.00 63.50 H new ATOM 1096 N LYS A 71 1.548 8.138 -7.171 1.00 12.50 N ATOM 1097 CA LYS A 71 1.314 9.510 -6.738 1.00 1.14 C ATOM 1098 C LYS A 71 2.203 10.482 -7.507 1.00 44.40 C ATOM 1099 O LYS A 71 1.748 11.536 -7.951 1.00 71.40 O ATOM 1100 CB LYS A 71 1.571 9.644 -5.236 1.00 42.30 C ATOM 1101 CG LYS A 71 0.723 10.714 -4.567 1.00 24.40 C ATOM 1102 CD LYS A 71 1.472 11.388 -3.430 1.00 22.20 C ATOM 1103 CE LYS A 71 0.517 12.023 -2.432 1.00 73.40 C ATOM 1104 NZ LYS A 71 1.126 13.197 -1.748 1.00 10.20 N ATOM 0 H LYS A 71 1.962 7.536 -6.459 1.00 12.50 H new ATOM 0 HA LYS A 71 0.273 9.757 -6.944 1.00 1.14 H new ATOM 0 HB2 LYS A 71 1.377 8.685 -4.756 1.00 42.30 H new ATOM 0 HB3 LYS A 71 2.624 9.874 -5.075 1.00 42.30 H new ATOM 0 HG2 LYS A 71 0.430 11.461 -5.304 1.00 24.40 H new ATOM 0 HG3 LYS A 71 -0.194 10.266 -4.185 1.00 24.40 H new ATOM 0 HD2 LYS A 71 2.098 10.655 -2.921 1.00 22.20 H new ATOM 0 HD3 LYS A 71 2.138 12.151 -3.833 1.00 22.20 H new ATOM 0 HE2 LYS A 71 -0.392 12.334 -2.947 1.00 73.40 H new ATOM 0 HE3 LYS A 71 0.224 11.282 -1.688 1.00 73.40 H new ATOM 0 HZ1 LYS A 71 0.442 13.601 -1.076 1.00 10.20 H new ATOM 0 HZ2 LYS A 71 1.979 12.896 -1.235 1.00 10.20 H new ATOM 0 HZ3 LYS A 71 1.383 13.916 -2.454 1.00 10.20 H new ATOM 1118 N ASP A 72 3.473 10.121 -7.660 1.00 35.10 N ATOM 1119 CA ASP A 72 4.426 10.961 -8.375 1.00 3.45 C ATOM 1120 C ASP A 72 4.141 10.952 -9.874 1.00 74.10 C ATOM 1121 O ASP A 72 4.386 11.939 -10.560 1.00 4.14 O ATOM 1122 CB ASP A 72 5.855 10.484 -8.113 1.00 70.10 C ATOM 1123 CG ASP A 72 6.849 11.628 -8.072 1.00 33.10 C ATOM 1124 OD1 ASP A 72 6.819 12.405 -7.095 1.00 15.10 O ATOM 1125 OD2 ASP A 72 7.656 11.748 -9.017 1.00 43.00 O ATOM 0 H ASP A 72 3.866 9.252 -7.298 1.00 35.10 H new ATOM 0 HA ASP A 72 4.319 11.982 -8.009 1.00 3.45 H new ATOM 0 HB2 ASP A 72 5.887 9.945 -7.166 1.00 70.10 H new ATOM 0 HB3 ASP A 72 6.148 9.780 -8.891 1.00 70.10 H new ATOM 1130 N TYR A 73 3.624 9.832 -10.360 1.00 54.40 N ATOM 1131 CA TYR A 73 3.306 9.695 -11.780 1.00 64.50 C ATOM 1132 C TYR A 73 2.277 10.735 -12.210 1.00 4.13 C ATOM 1133 O TYR A 73 2.396 11.337 -13.280 1.00 43.50 O ATOM 1134 CB TYR A 73 2.779 8.289 -12.070 1.00 64.10 C ATOM 1135 CG TYR A 73 2.491 8.042 -13.530 1.00 61.50 C ATOM 1136 CD1 TYR A 73 1.394 8.627 -14.150 1.00 72.00 C ATOM 1137 CD2 TYR A 73 3.316 7.223 -14.300 1.00 45.30 C ATOM 1138 CE1 TYR A 73 1.127 8.403 -15.490 1.00 22.40 C ATOM 1139 CE2 TYR A 73 3.056 6.994 -15.630 1.00 42.10 C ATOM 1140 CZ TYR A 73 1.961 7.587 -16.230 1.00 42.30 C ATOM 1141 OH TYR A 73 1.698 7.362 -17.560 1.00 12.40 O ATOM 0 H TYR A 73 3.416 9.007 -9.797 1.00 54.40 H new ATOM 0 HA TYR A 73 4.220 9.859 -12.350 1.00 64.50 H new ATOM 0 HB2 TYR A 73 3.509 7.558 -11.723 1.00 64.10 H new ATOM 0 HB3 TYR A 73 1.867 8.126 -11.496 1.00 64.10 H new ATOM 0 HD1 TYR A 73 0.739 9.267 -13.577 1.00 72.00 H new ATOM 0 HD2 TYR A 73 4.177 6.759 -13.842 1.00 45.30 H new ATOM 0 HE1 TYR A 73 0.269 8.865 -15.956 1.00 22.40 H new ATOM 0 HE2 TYR A 73 3.706 6.352 -16.205 1.00 42.10 H new ATOM 0 HH TYR A 73 2.381 6.767 -17.932 1.00 12.40 H new ATOM 1151 N LEU A 74 1.266 10.942 -11.370 1.00 75.10 N ATOM 1152 CA LEU A 74 0.216 11.910 -11.660 1.00 11.30 C ATOM 1153 C LEU A 74 0.641 13.316 -11.250 1.00 65.20 C ATOM 1154 O LEU A 74 0.380 14.287 -11.960 1.00 72.20 O ATOM 1155 CB LEU A 74 -1.077 11.525 -10.940 1.00 23.20 C ATOM 1156 CG LEU A 74 -1.842 10.356 -11.560 1.00 42.10 C ATOM 1157 CD1 LEU A 74 -2.701 9.663 -10.520 1.00 2.31 C ATOM 1158 CD2 LEU A 74 -2.698 10.838 -12.730 1.00 34.10 C ATOM 0 H LEU A 74 1.153 10.451 -10.483 1.00 75.10 H new ATOM 0 HA LEU A 74 0.040 11.903 -12.736 1.00 11.30 H new ATOM 0 HB2 LEU A 74 -0.838 11.275 -9.906 1.00 23.20 H new ATOM 0 HB3 LEU A 74 -1.733 12.395 -10.914 1.00 23.20 H new ATOM 0 HG LEU A 74 -1.117 9.634 -11.937 1.00 42.10 H new ATOM 0 HD11 LEU A 74 -3.236 8.834 -10.984 1.00 2.31 H new ATOM 0 HD12 LEU A 74 -2.067 9.283 -9.719 1.00 2.31 H new ATOM 0 HD13 LEU A 74 -3.418 10.373 -10.109 1.00 2.31 H new ATOM 0 HD21 LEU A 74 -3.236 9.993 -13.160 1.00 34.10 H new ATOM 0 HD22 LEU A 74 -3.413 11.581 -12.376 1.00 34.10 H new ATOM 0 HD23 LEU A 74 -2.057 11.285 -13.490 1.00 34.10 H new ATOM 1170 N ARG A 75 1.299 13.418 -10.100 1.00 63.30 N ATOM 1171 CA ARG A 75 1.760 14.705 -9.602 1.00 11.20 C ATOM 1172 C ARG A 75 2.846 15.286 -10.500 1.00 20.20 C ATOM 1173 O ARG A 75 2.791 16.456 -10.880 1.00 34.30 O ATOM 1174 CB ARG A 75 2.292 14.556 -8.175 1.00 3.41 C ATOM 1175 CG ARG A 75 1.225 14.733 -7.106 1.00 4.31 C ATOM 1176 CD ARG A 75 1.611 14.038 -5.810 1.00 22.30 C ATOM 1177 NE ARG A 75 1.936 14.993 -4.753 1.00 11.30 N ATOM 1178 CZ ARG A 75 3.109 15.615 -4.651 1.00 1.34 C ATOM 1179 NH1 ARG A 75 4.069 15.387 -5.538 1.00 54.20 N ATOM 1180 NH2 ARG A 75 3.321 16.469 -3.658 1.00 32.40 N ATOM 0 H ARG A 75 1.524 12.626 -9.498 1.00 63.30 H new ATOM 0 HA ARG A 75 0.912 15.390 -9.603 1.00 11.20 H new ATOM 0 HB2 ARG A 75 2.744 13.570 -8.066 1.00 3.41 H new ATOM 0 HB3 ARG A 75 3.082 15.289 -8.012 1.00 3.41 H new ATOM 0 HG2 ARG A 75 1.070 15.795 -6.918 1.00 4.31 H new ATOM 0 HG3 ARG A 75 0.278 14.332 -7.467 1.00 4.31 H new ATOM 0 HD2 ARG A 75 0.790 13.400 -5.482 1.00 22.30 H new ATOM 0 HD3 ARG A 75 2.468 13.389 -5.988 1.00 22.30 H new ATOM 0 HE ARG A 75 1.223 15.195 -4.052 1.00 11.30 H new ATOM 0 HH11 ARG A 75 3.911 14.732 -6.304 1.00 54.20 H new ATOM 0 HH12 ARG A 75 4.965 15.867 -5.454 1.00 54.20 H new ATOM 0 HH21 ARG A 75 2.586 16.648 -2.974 1.00 32.40 H new ATOM 0 HH22 ARG A 75 4.219 16.946 -3.579 1.00 32.40 H new ATOM 1195 N GLU B 115 10.137 -3.200 8.971 1.00 1.31 N ATOM 1196 CA GLU B 115 8.754 -2.743 9.058 1.00 74.30 C ATOM 1197 C GLU B 115 8.692 -1.230 9.245 1.00 3.15 C ATOM 1198 O GLU B 115 7.750 -0.578 8.795 1.00 53.40 O ATOM 1199 CB GLU B 115 8.037 -3.442 10.214 1.00 74.30 C ATOM 1200 CG GLU B 115 6.554 -3.665 9.964 1.00 63.30 C ATOM 1201 CD GLU B 115 5.683 -2.655 10.685 1.00 75.40 C ATOM 1202 OE1 GLU B 115 5.464 -1.557 10.132 1.00 64.30 O ATOM 1203 OE2 GLU B 115 5.220 -2.962 11.804 1.00 32.40 O ATOM 0 HA GLU B 115 8.254 -2.996 8.123 1.00 74.30 H new ATOM 0 HB2 GLU B 115 8.515 -4.404 10.398 1.00 74.30 H new ATOM 0 HB3 GLU B 115 8.159 -2.847 11.119 1.00 74.30 H new ATOM 0 HG2 GLU B 115 6.358 -3.610 8.893 1.00 63.30 H new ATOM 0 HG3 GLU B 115 6.282 -4.670 10.287 1.00 63.30 H new ATOM 1210 N ASP B 116 9.700 -0.679 9.913 1.00 2.42 N ATOM 1211 CA ASP B 116 9.759 0.757 10.160 1.00 31.20 C ATOM 1212 C ASP B 116 10.024 1.523 8.868 1.00 44.10 C ATOM 1213 O ASP B 116 9.590 2.664 8.711 1.00 15.10 O ATOM 1214 CB ASP B 116 10.848 1.074 11.187 1.00 63.30 C ATOM 1215 CG ASP B 116 10.500 2.272 12.048 1.00 64.30 C ATOM 1216 OD1 ASP B 116 10.699 3.414 11.585 1.00 41.20 O ATOM 1217 OD2 ASP B 116 10.027 2.067 13.186 1.00 1.22 O ATOM 0 H ASP B 116 10.487 -1.205 10.293 1.00 2.42 H new ATOM 0 HA ASP B 116 8.793 1.072 10.555 1.00 31.20 H new ATOM 0 HB2 ASP B 116 11.005 0.205 11.825 1.00 63.30 H new ATOM 0 HB3 ASP B 116 11.788 1.263 10.669 1.00 63.30 H new ATOM 1222 N GLN B 117 10.739 0.888 7.944 1.00 44.10 N ATOM 1223 CA GLN B 117 11.062 1.511 6.666 1.00 55.10 C ATOM 1224 C GLN B 117 9.794 1.892 5.909 1.00 74.10 C ATOM 1225 O GLN B 117 9.566 3.064 5.609 1.00 54.30 O ATOM 1226 CB GLN B 117 11.913 0.566 5.815 1.00 44.10 C ATOM 1227 CG GLN B 117 13.356 0.461 6.280 1.00 2.43 C ATOM 1228 CD GLN B 117 14.158 1.711 5.978 1.00 41.20 C ATOM 1229 OE1 GLN B 117 14.806 1.810 4.936 1.00 24.30 O ATOM 1230 NE2 GLN B 117 14.118 2.675 6.890 1.00 42.00 N ATOM 0 H GLN B 117 11.105 -0.057 8.057 1.00 44.10 H new ATOM 0 HA GLN B 117 11.630 2.420 6.867 1.00 55.10 H new ATOM 0 HB2 GLN B 117 11.463 -0.427 5.829 1.00 44.10 H new ATOM 0 HB3 GLN B 117 11.898 0.909 4.780 1.00 44.10 H new ATOM 0 HG2 GLN B 117 13.375 0.272 7.353 1.00 2.43 H new ATOM 0 HG3 GLN B 117 13.828 -0.395 5.797 1.00 2.43 H new ATOM 0 HE21 GLN B 117 13.568 2.551 7.740 1.00 42.00 H new ATOM 0 HE22 GLN B 117 14.638 3.540 6.741 1.00 42.00 H new ATOM 1239 N LEU B 118 8.970 0.895 5.603 1.00 44.20 N ATOM 1240 CA LEU B 118 7.725 1.126 4.881 1.00 31.40 C ATOM 1241 C LEU B 118 6.699 1.823 5.771 1.00 52.30 C ATOM 1242 O LEU B 118 5.851 2.572 5.287 1.00 22.10 O ATOM 1243 CB LEU B 118 7.155 -0.197 4.365 1.00 72.10 C ATOM 1244 CG LEU B 118 6.700 -1.174 5.450 1.00 43.30 C ATOM 1245 CD1 LEU B 118 5.492 -1.970 4.980 1.00 24.40 C ATOM 1246 CD2 LEU B 118 7.838 -2.108 5.836 1.00 61.30 C ATOM 0 H LEU B 118 9.143 -0.081 5.844 1.00 44.20 H new ATOM 0 HA LEU B 118 7.943 1.775 4.033 1.00 31.40 H new ATOM 0 HB2 LEU B 118 6.308 0.019 3.714 1.00 72.10 H new ATOM 0 HB3 LEU B 118 7.912 -0.686 3.751 1.00 72.10 H new ATOM 0 HG LEU B 118 6.411 -0.600 6.331 1.00 43.30 H new ATOM 0 HD11 LEU B 118 5.183 -2.660 5.765 1.00 24.40 H new ATOM 0 HD12 LEU B 118 4.673 -1.288 4.753 1.00 24.40 H new ATOM 0 HD13 LEU B 118 5.754 -2.534 4.084 1.00 24.40 H new ATOM 0 HD21 LEU B 118 7.497 -2.797 6.609 1.00 61.30 H new ATOM 0 HD22 LEU B 118 8.157 -2.674 4.961 1.00 61.30 H new ATOM 0 HD23 LEU B 118 8.676 -1.523 6.215 1.00 61.30 H new ATOM 1258 N SER B 119 6.784 1.571 7.073 1.00 0.21 N ATOM 1259 CA SER B 119 5.863 2.175 8.029 1.00 31.50 C ATOM 1260 C SER B 119 5.974 3.696 8.006 1.00 25.50 C ATOM 1261 O SER B 119 4.967 4.403 8.055 1.00 43.10 O ATOM 1262 CB SER B 119 6.144 1.653 9.439 1.00 2.53 C ATOM 1263 OG SER B 119 5.317 2.293 10.395 1.00 13.10 O ATOM 0 H SER B 119 7.480 0.953 7.490 1.00 0.21 H new ATOM 0 HA SER B 119 4.848 1.899 7.742 1.00 31.50 H new ATOM 0 HB2 SER B 119 5.976 0.576 9.471 1.00 2.53 H new ATOM 0 HB3 SER B 119 7.191 1.820 9.690 1.00 2.53 H new ATOM 0 HG SER B 119 5.515 1.940 11.288 1.00 13.10 H new ATOM 1269 N ARG B 120 7.204 4.193 7.930 1.00 63.10 N ATOM 1270 CA ARG B 120 7.447 5.631 7.900 1.00 32.50 C ATOM 1271 C ARG B 120 7.000 6.230 6.571 1.00 12.40 C ATOM 1272 O ARG B 120 6.384 7.295 6.534 1.00 52.40 O ATOM 1273 CB ARG B 120 8.930 5.924 8.133 1.00 12.00 C ATOM 1274 CG ARG B 120 9.362 5.765 9.582 1.00 41.30 C ATOM 1275 CD ARG B 120 10.543 6.662 9.912 1.00 22.40 C ATOM 1276 NE ARG B 120 11.631 6.513 8.948 1.00 52.30 N ATOM 1277 CZ ARG B 120 12.610 7.402 8.792 1.00 0.34 C ATOM 1278 NH1 ARG B 120 12.641 8.502 9.533 1.00 32.20 N ATOM 1279 NH2 ARG B 120 13.560 7.189 7.892 1.00 4.23 N ATOM 0 H ARG B 120 8.048 3.622 7.888 1.00 63.10 H new ATOM 0 HA ARG B 120 6.864 6.090 8.699 1.00 32.50 H new ATOM 0 HB2 ARG B 120 9.526 5.257 7.510 1.00 12.00 H new ATOM 0 HB3 ARG B 120 9.146 6.942 7.808 1.00 12.00 H new ATOM 0 HG2 ARG B 120 8.527 6.004 10.240 1.00 41.30 H new ATOM 0 HG3 ARG B 120 9.629 4.725 9.771 1.00 41.30 H new ATOM 0 HD2 ARG B 120 10.215 7.701 9.930 1.00 22.40 H new ATOM 0 HD3 ARG B 120 10.909 6.426 10.911 1.00 22.40 H new ATOM 0 HE ARG B 120 11.641 5.679 8.360 1.00 52.30 H new ATOM 0 HH11 ARG B 120 11.912 8.670 10.227 1.00 32.20 H new ATOM 0 HH12 ARG B 120 13.393 9.179 9.409 1.00 32.20 H new ATOM 0 HH21 ARG B 120 13.540 6.345 7.320 1.00 4.23 H new ATOM 0 HH22 ARG B 120 14.310 7.869 7.772 1.00 4.23 H new ATOM 1293 N ARG B 121 7.316 5.539 5.480 1.00 71.20 N ATOM 1294 CA ARG B 121 6.947 6.003 4.148 1.00 62.20 C ATOM 1295 C ARG B 121 5.432 6.121 4.013 1.00 70.10 C ATOM 1296 O ARG B 121 4.928 6.978 3.287 1.00 71.00 O ATOM 1297 CB ARG B 121 7.493 5.050 3.083 1.00 44.30 C ATOM 1298 CG ARG B 121 9.008 5.083 2.957 1.00 22.00 C ATOM 1299 CD ARG B 121 9.561 3.732 2.533 1.00 34.10 C ATOM 1300 NE ARG B 121 8.838 3.179 1.390 1.00 11.30 N ATOM 1301 CZ ARG B 121 9.106 1.995 0.845 1.00 54.40 C ATOM 1302 NH1 ARG B 121 10.079 1.236 1.336 1.00 13.50 N ATOM 1303 NH2 ARG B 121 8.400 1.567 -0.192 1.00 40.50 N ATOM 0 H ARG B 121 7.827 4.656 5.493 1.00 71.20 H new ATOM 0 HA ARG B 121 7.385 6.990 4.001 1.00 62.20 H new ATOM 0 HB2 ARG B 121 7.178 4.034 3.321 1.00 44.30 H new ATOM 0 HB3 ARG B 121 7.051 5.303 2.119 1.00 44.30 H new ATOM 0 HG2 ARG B 121 9.297 5.841 2.229 1.00 22.00 H new ATOM 0 HG3 ARG B 121 9.447 5.374 3.911 1.00 22.00 H new ATOM 0 HD2 ARG B 121 10.616 3.836 2.279 1.00 34.10 H new ATOM 0 HD3 ARG B 121 9.501 3.037 3.370 1.00 34.10 H new ATOM 0 HE ARG B 121 8.083 3.733 0.986 1.00 11.30 H new ATOM 0 HH11 ARG B 121 10.625 1.560 2.135 1.00 13.50 H new ATOM 0 HH12 ARG B 121 10.280 0.329 0.915 1.00 13.50 H new ATOM 0 HH21 ARG B 121 7.651 2.145 -0.573 1.00 40.50 H new ATOM 0 HH22 ARG B 121 8.606 0.659 -0.609 1.00 40.50 H new ATOM 1317 N LEU B 122 4.712 5.254 4.716 1.00 61.40 N ATOM 1318 CA LEU B 122 3.254 5.260 4.674 1.00 41.30 C ATOM 1319 C LEU B 122 2.695 6.490 5.383 1.00 44.20 C ATOM 1320 O LEU B 122 1.768 7.134 4.891 1.00 14.50 O ATOM 1321 CB LEU B 122 2.699 3.989 5.320 1.00 32.10 C ATOM 1322 CG LEU B 122 1.421 3.443 4.680 1.00 51.30 C ATOM 1323 CD1 LEU B 122 1.077 2.078 5.256 1.00 52.10 C ATOM 1324 CD2 LEU B 122 0.268 4.415 4.882 1.00 11.10 C ATOM 0 H LEU B 122 5.114 4.538 5.322 1.00 61.40 H new ATOM 0 HA LEU B 122 2.945 5.293 3.629 1.00 41.30 H new ATOM 0 HB2 LEU B 122 3.466 3.215 5.281 1.00 32.10 H new ATOM 0 HB3 LEU B 122 2.502 4.191 6.373 1.00 32.10 H new ATOM 0 HG LEU B 122 1.592 3.330 3.609 1.00 51.30 H new ATOM 0 HD11 LEU B 122 0.165 1.705 4.789 1.00 52.10 H new ATOM 0 HD12 LEU B 122 1.895 1.384 5.061 1.00 52.10 H new ATOM 0 HD13 LEU B 122 0.924 2.165 6.332 1.00 52.10 H new ATOM 0 HD21 LEU B 122 -0.633 4.011 4.421 1.00 11.10 H new ATOM 0 HD22 LEU B 122 0.096 4.559 5.949 1.00 11.10 H new ATOM 0 HD23 LEU B 122 0.514 5.372 4.421 1.00 11.10 H new ATOM 1336 N ALA B 123 3.265 6.810 6.540 1.00 42.10 N ATOM 1337 CA ALA B 123 2.823 7.963 7.316 1.00 54.20 C ATOM 1338 C ALA B 123 2.978 9.253 6.518 1.00 31.10 C ATOM 1339 O ALA B 123 2.203 10.195 6.686 1.00 73.20 O ATOM 1340 CB ALA B 123 3.602 8.050 8.619 1.00 24.10 C ATOM 0 H ALA B 123 4.033 6.288 6.961 1.00 42.10 H new ATOM 0 HA ALA B 123 1.765 7.833 7.545 1.00 54.20 H new ATOM 0 HB1 ALA B 123 3.262 8.915 9.189 1.00 24.10 H new ATOM 0 HB2 ALA B 123 3.438 7.144 9.202 1.00 24.10 H new ATOM 0 HB3 ALA B 123 4.665 8.154 8.401 1.00 24.10 H new ATOM 1346 N ALA B 124 3.982 9.288 5.648 1.00 20.40 N ATOM 1347 CA ALA B 124 4.238 10.463 4.824 1.00 45.30 C ATOM 1348 C ALA B 124 3.261 10.537 3.656 1.00 53.20 C ATOM 1349 O ALA B 124 2.859 11.623 3.237 1.00 64.30 O ATOM 1350 CB ALA B 124 5.672 10.448 4.316 1.00 41.20 C ATOM 0 H ALA B 124 4.631 8.516 5.496 1.00 20.40 H new ATOM 0 HA ALA B 124 4.092 11.349 5.442 1.00 45.30 H new ATOM 0 HB1 ALA B 124 5.850 11.331 3.702 1.00 41.20 H new ATOM 0 HB2 ALA B 124 6.358 10.451 5.163 1.00 41.20 H new ATOM 0 HB3 ALA B 124 5.837 9.551 3.718 1.00 41.20 H new ATOM 1356 N LEU B 125 2.884 9.375 3.132 1.00 51.40 N ATOM 1357 CA LEU B 125 1.953 9.308 2.011 1.00 22.30 C ATOM 1358 C LEU B 125 0.583 9.848 2.408 1.00 5.40 C ATOM 1359 O LEU B 125 -0.018 10.639 1.681 1.00 54.10 O ATOM 1360 CB LEU B 125 1.822 7.867 1.515 1.00 44.50 C ATOM 1361 CG LEU B 125 1.563 7.719 0.015 1.00 25.20 C ATOM 1362 CD1 LEU B 125 2.862 7.841 -0.765 1.00 61.40 C ATOM 1363 CD2 LEU B 125 0.885 6.390 -0.279 1.00 74.20 C ATOM 0 H LEU B 125 3.209 8.467 3.465 1.00 51.40 H new ATOM 0 HA LEU B 125 2.348 9.928 1.206 1.00 22.30 H new ATOM 0 HB2 LEU B 125 2.736 7.328 1.765 1.00 44.50 H new ATOM 0 HB3 LEU B 125 1.009 7.385 2.058 1.00 44.50 H new ATOM 0 HG LEU B 125 0.897 8.522 -0.301 1.00 25.20 H new ATOM 0 HD11 LEU B 125 2.658 7.733 -1.830 1.00 61.40 H new ATOM 0 HD12 LEU B 125 3.308 8.818 -0.578 1.00 61.40 H new ATOM 0 HD13 LEU B 125 3.552 7.060 -0.447 1.00 61.40 H new ATOM 0 HD21 LEU B 125 0.708 6.301 -1.351 1.00 74.20 H new ATOM 0 HD22 LEU B 125 1.527 5.573 0.052 1.00 74.20 H new ATOM 0 HD23 LEU B 125 -0.066 6.342 0.251 1.00 74.20 H new