USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1046 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 29 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.13) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.452 K(o=-0.45,f=-4.3!) USER MOD Single : A 18 THR OG1 : rot -135:sc= -2.09! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.291 USER MOD Single : A 20 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.8!) USER MOD Single : A 23 HIS : no HD1:sc= -3.65! C(o=-3.6!,f=-14!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -115:sc= -0.124 (180deg=-1.27) USER MOD Single : A 28 SER OG : rot -140:sc= -0.0961 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -53:sc= 0.239 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= -0.0435 (180deg=-0.35) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc=-0.000904 (180deg=-0.152) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 GLN : amide:sc= -0.602 K(o=-0.6,f=-4.2!) USER MOD Single : B 18 THR OG1 : rot 50:sc= -2.27! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.29 USER MOD Single : B 20 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.8!) USER MOD Single : B 23 HIS : no HD1:sc= -3.74! C(o=-3.7!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl 161:sc= -1.17 (180deg=-2.26!) USER MOD Single : B 28 SER OG : rot -140:sc= 0 USER MOD Single : B 29 ASN : amide:sc= 0 X(o=0,f=0.39) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 GLN : amide:sc= -0.695 K(o=-0.7,f=0) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 149:sc= -0.0142 (180deg=-0.202) USER MOD Single : B 50 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 169:sc=-0.00907 (180deg=-0.13) USER MOD Single : B 68 GLN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -6.716 -18.578 15.007 1.00 0.81 N ATOM 2 CA LEU A 8 -7.334 -19.074 13.757 1.00 0.78 C ATOM 3 C LEU A 8 -8.783 -19.535 14.026 1.00 0.78 C ATOM 4 O LEU A 8 -9.064 -20.684 14.363 1.00 0.80 O ATOM 5 CB LEU A 8 -6.460 -20.201 13.173 1.00 0.80 C ATOM 6 CG LEU A 8 -6.876 -20.717 11.782 1.00 0.78 C ATOM 7 CD1 LEU A 8 -5.664 -21.355 11.107 1.00 0.80 C ATOM 8 CD2 LEU A 8 -7.961 -21.800 11.831 1.00 0.78 C ATOM 0 HA LEU A 8 -7.387 -18.273 13.019 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -5.431 -19.845 13.115 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -6.469 -21.040 13.869 1.00 0.80 H new ATOM 0 HG LEU A 8 -7.266 -19.854 11.243 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -5.948 -21.723 10.121 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -4.873 -20.612 11.002 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -5.304 -22.185 11.715 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -8.205 -22.117 10.817 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -7.596 -22.655 12.400 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -8.854 -21.399 12.311 1.00 0.78 H new ATOM 20 N ARG A 9 -9.646 -18.536 14.099 1.00 0.76 N ATOM 21 CA ARG A 9 -11.080 -18.772 14.355 1.00 0.76 C ATOM 22 C ARG A 9 -11.956 -18.002 13.366 1.00 0.72 C ATOM 23 O ARG A 9 -12.638 -18.597 12.536 1.00 0.71 O ATOM 24 CB ARG A 9 -11.449 -18.505 15.826 1.00 0.79 C ATOM 25 CG ARG A 9 -11.130 -17.088 16.310 1.00 0.78 C ATOM 26 CD ARG A 9 -11.706 -16.821 17.698 1.00 0.82 C ATOM 27 NE ARG A 9 -11.444 -15.416 18.071 1.00 0.81 N ATOM 28 CZ ARG A 9 -10.281 -14.896 18.469 1.00 0.83 C ATOM 29 NH1 ARG A 9 -9.182 -15.636 18.565 1.00 0.84 N ATOM 30 NH2 ARG A 9 -10.217 -13.622 18.825 1.00 0.83 N ATOM 0 H ARG A 9 -9.393 -17.554 13.987 1.00 0.76 H new ATOM 0 HA ARG A 9 -11.281 -19.830 14.184 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -12.515 -18.691 15.960 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -10.919 -19.219 16.456 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -10.050 -16.946 16.331 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -11.533 -16.363 15.603 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -12.778 -17.017 17.704 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -11.255 -17.494 18.428 1.00 0.82 H new ATOM 0 HE ARG A 9 -12.236 -14.775 18.019 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -9.213 -16.628 18.332 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -8.307 -15.212 18.872 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -11.055 -13.041 18.795 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -9.330 -13.222 19.130 1.00 0.83 H new ATOM 44 N GLU A 10 -11.885 -16.670 13.447 1.00 0.70 N ATOM 45 CA GLU A 10 -12.741 -15.755 12.683 1.00 0.67 C ATOM 46 C GLU A 10 -12.028 -14.423 12.454 1.00 0.65 C ATOM 47 O GLU A 10 -11.619 -13.749 13.401 1.00 0.67 O ATOM 48 CB GLU A 10 -14.039 -15.487 13.452 1.00 0.69 C ATOM 49 CG GLU A 10 -14.909 -16.740 13.602 1.00 0.71 C ATOM 50 CD GLU A 10 -16.238 -16.482 14.312 1.00 0.73 C ATOM 51 OE1 GLU A 10 -16.733 -15.335 14.219 1.00 0.72 O ATOM 52 OE2 GLU A 10 -16.744 -17.448 14.918 1.00 0.76 O ATOM 0 H GLU A 10 -11.221 -16.189 14.054 1.00 0.70 H new ATOM 0 HA GLU A 10 -12.964 -16.220 11.723 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -13.797 -15.098 14.441 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -14.609 -14.714 12.936 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -15.109 -17.153 12.613 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -14.351 -17.495 14.156 1.00 0.71 H new ATOM 59 N LEU A 11 -11.766 -14.169 11.185 1.00 0.62 N ATOM 60 CA LEU A 11 -11.105 -12.930 10.739 1.00 0.60 C ATOM 61 C LEU A 11 -11.947 -12.240 9.666 1.00 0.57 C ATOM 62 O LEU A 11 -12.513 -12.889 8.784 1.00 0.56 O ATOM 63 CB LEU A 11 -9.719 -13.264 10.189 1.00 0.60 C ATOM 64 CG LEU A 11 -8.813 -13.847 11.274 1.00 0.63 C ATOM 65 CD1 LEU A 11 -8.256 -15.196 10.817 1.00 0.65 C ATOM 66 CD2 LEU A 11 -7.691 -12.868 11.611 1.00 0.64 C ATOM 0 H LEU A 11 -12.001 -14.808 10.425 1.00 0.62 H new ATOM 0 HA LEU A 11 -11.002 -12.252 11.586 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -9.813 -13.977 9.370 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.263 -12.364 9.777 1.00 0.60 H new ATOM 0 HG LEU A 11 -9.396 -14.009 12.181 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -7.611 -15.606 11.595 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -9.080 -15.885 10.628 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -7.679 -15.060 9.902 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -7.054 -13.297 12.385 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -7.097 -12.674 10.718 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -8.120 -11.933 11.971 1.00 0.64 H new ATOM 78 N ARG A 12 -11.986 -10.925 9.776 1.00 0.56 N ATOM 79 CA ARG A 12 -12.809 -10.075 8.895 1.00 0.54 C ATOM 80 C ARG A 12 -11.883 -9.364 7.914 1.00 0.51 C ATOM 81 O ARG A 12 -10.752 -9.013 8.260 1.00 0.51 O ATOM 82 CB ARG A 12 -13.561 -9.029 9.735 1.00 0.55 C ATOM 83 CG ARG A 12 -14.215 -9.573 11.016 1.00 0.59 C ATOM 84 CD ARG A 12 -15.072 -10.804 10.721 1.00 0.59 C ATOM 85 NE ARG A 12 -15.807 -11.246 11.906 1.00 0.63 N ATOM 86 CZ ARG A 12 -17.117 -11.078 11.999 1.00 0.65 C ATOM 87 NH1 ARG A 12 -17.623 -9.912 12.375 1.00 0.66 N ATOM 88 NH2 ARG A 12 -17.919 -12.113 11.808 1.00 0.66 N ATOM 0 H ARG A 12 -11.454 -10.404 10.473 1.00 0.56 H new ATOM 0 HA ARG A 12 -13.534 -10.687 8.359 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -12.865 -8.236 10.009 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.334 -8.575 9.115 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -13.442 -9.830 11.741 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -14.832 -8.797 11.470 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -15.775 -10.575 9.921 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -14.436 -11.614 10.364 1.00 0.59 H new ATOM 0 HE ARG A 12 -15.302 -11.691 12.673 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -17.002 -9.134 12.596 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -18.634 -9.793 12.443 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -17.526 -13.029 11.591 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -18.930 -11.995 11.877 1.00 0.66 H new ATOM 102 N CYS A 13 -12.378 -9.145 6.698 1.00 0.49 N ATOM 103 CA CYS A 13 -11.654 -8.334 5.703 1.00 0.47 C ATOM 104 C CYS A 13 -11.324 -6.953 6.292 1.00 0.47 C ATOM 105 O CYS A 13 -12.040 -6.450 7.159 1.00 0.48 O ATOM 106 CB CYS A 13 -12.525 -8.165 4.458 1.00 0.47 C ATOM 107 SG CYS A 13 -12.608 -9.647 3.386 1.00 0.48 S ATOM 0 H CYS A 13 -13.272 -9.512 6.372 1.00 0.49 H new ATOM 0 HA CYS A 13 -10.725 -8.837 5.435 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.535 -7.900 4.770 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -12.142 -7.329 3.873 1.00 0.47 H new ATOM 112 N VAL A 14 -10.228 -6.365 5.816 1.00 0.45 N ATOM 113 CA VAL A 14 -9.820 -5.008 6.260 1.00 0.45 C ATOM 114 C VAL A 14 -10.906 -3.956 5.944 1.00 0.44 C ATOM 115 O VAL A 14 -11.066 -2.964 6.647 1.00 0.45 O ATOM 116 CB VAL A 14 -8.418 -4.632 5.717 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.323 -4.485 4.196 1.00 0.43 C ATOM 118 CG2 VAL A 14 -7.880 -3.356 6.368 1.00 0.45 C ATOM 0 H VAL A 14 -9.604 -6.790 5.130 1.00 0.45 H new ATOM 0 HA VAL A 14 -9.727 -5.021 7.346 1.00 0.45 H new ATOM 0 HB VAL A 14 -7.804 -5.491 5.989 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.302 -4.221 3.919 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.595 -5.428 3.722 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -9.004 -3.701 3.863 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -6.895 -3.127 5.960 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.559 -2.529 6.163 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -7.801 -3.502 7.445 1.00 0.45 H new ATOM 128 N CYS A 15 -11.627 -4.214 4.856 1.00 0.44 N ATOM 129 CA CYS A 15 -12.730 -3.378 4.364 1.00 0.44 C ATOM 130 C CYS A 15 -14.045 -4.151 4.340 1.00 0.46 C ATOM 131 O CYS A 15 -14.235 -5.050 3.521 1.00 0.46 O ATOM 132 CB CYS A 15 -12.433 -2.919 2.940 1.00 0.43 C ATOM 133 SG CYS A 15 -11.152 -1.635 2.867 1.00 0.42 S ATOM 0 H CYS A 15 -11.459 -5.033 4.272 1.00 0.44 H new ATOM 0 HA CYS A 15 -12.822 -2.527 5.039 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -12.116 -3.776 2.346 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.349 -2.538 2.487 1.00 0.43 H new ATOM 138 N LEU A 16 -14.885 -3.842 5.318 1.00 0.48 N ATOM 139 CA LEU A 16 -16.243 -4.417 5.381 1.00 0.51 C ATOM 140 C LEU A 16 -17.266 -3.689 4.494 1.00 0.53 C ATOM 141 O LEU A 16 -18.168 -4.308 3.924 1.00 0.55 O ATOM 142 CB LEU A 16 -16.731 -4.487 6.832 1.00 0.54 C ATOM 143 CG LEU A 16 -15.905 -5.462 7.687 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.404 -5.421 9.132 1.00 0.57 C ATOM 145 CD2 LEU A 16 -15.973 -6.899 7.154 1.00 0.53 C ATOM 0 H LEU A 16 -14.662 -3.201 6.080 1.00 0.48 H new ATOM 0 HA LEU A 16 -16.164 -5.426 4.977 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -16.685 -3.492 7.275 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -17.777 -4.794 6.845 1.00 0.54 H new ATOM 0 HG LEU A 16 -14.863 -5.146 7.640 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -15.819 -6.112 9.739 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.295 -4.411 9.526 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.454 -5.711 9.163 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.375 -7.552 7.790 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -17.008 -7.240 7.157 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.584 -6.928 6.136 1.00 0.53 H new ATOM 157 N GLN A 17 -17.085 -2.393 4.365 1.00 0.53 N ATOM 158 CA GLN A 17 -17.951 -1.498 3.584 1.00 0.55 C ATOM 159 C GLN A 17 -17.194 -0.976 2.350 1.00 0.53 C ATOM 160 O GLN A 17 -16.023 -1.281 2.128 1.00 0.50 O ATOM 161 CB GLN A 17 -18.465 -0.344 4.467 1.00 0.57 C ATOM 162 CG GLN A 17 -17.416 0.695 4.899 1.00 0.56 C ATOM 163 CD GLN A 17 -16.381 0.198 5.919 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.402 -0.883 6.482 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.419 1.036 6.207 1.00 0.53 N ATOM 0 H GLN A 17 -16.309 -1.904 4.811 1.00 0.53 H new ATOM 0 HA GLN A 17 -18.820 -2.055 3.233 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.259 0.173 3.928 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -18.914 -0.771 5.363 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -16.888 1.045 4.012 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -17.934 1.556 5.322 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.381 1.946 5.748 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -14.707 0.779 6.890 1.00 0.53 H new ATOM 174 N THR A 18 -17.898 -0.141 1.608 1.00 0.56 N ATOM 175 CA THR A 18 -17.368 0.506 0.395 1.00 0.55 C ATOM 176 C THR A 18 -17.586 2.028 0.433 1.00 0.57 C ATOM 177 O THR A 18 -18.083 2.585 1.415 1.00 0.58 O ATOM 178 CB THR A 18 -18.016 -0.174 -0.823 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.402 0.337 -2.004 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.540 0.001 -0.899 1.00 0.62 C ATOM 0 H THR A 18 -18.862 0.117 1.821 1.00 0.56 H new ATOM 0 HA THR A 18 -16.287 0.379 0.329 1.00 0.55 H new ATOM 0 HB THR A 18 -17.851 -1.247 -0.722 1.00 0.57 H new ATOM 0 HG1 THR A 18 -18.092 0.545 -2.668 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.921 -0.507 -1.785 1.00 0.62 H new ATOM 0 HG22 THR A 18 -20.000 -0.428 -0.009 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.782 1.062 -0.957 1.00 0.62 H new ATOM 188 N THR A 19 -17.300 2.679 -0.689 1.00 0.57 N ATOM 189 CA THR A 19 -17.427 4.130 -0.898 1.00 0.59 C ATOM 190 C THR A 19 -17.546 4.441 -2.402 1.00 0.61 C ATOM 191 O THR A 19 -17.054 3.704 -3.263 1.00 0.60 O ATOM 192 CB THR A 19 -16.211 4.856 -0.280 1.00 0.56 C ATOM 193 OG1 THR A 19 -16.130 4.557 1.118 1.00 0.55 O ATOM 194 CG2 THR A 19 -16.262 6.381 -0.422 1.00 0.58 C ATOM 0 H THR A 19 -16.958 2.195 -1.519 1.00 0.57 H new ATOM 0 HA THR A 19 -18.331 4.487 -0.405 1.00 0.59 H new ATOM 0 HB THR A 19 -15.342 4.496 -0.830 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.546 3.782 1.253 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.375 6.819 0.036 1.00 0.58 H new ATOM 0 HG22 THR A 19 -16.294 6.647 -1.479 1.00 0.58 H new ATOM 0 HG23 THR A 19 -17.153 6.763 0.076 1.00 0.58 H new ATOM 202 N GLN A 20 -18.216 5.554 -2.663 1.00 0.65 N ATOM 203 CA GLN A 20 -18.432 6.123 -3.996 1.00 0.68 C ATOM 204 C GLN A 20 -18.027 7.599 -4.065 1.00 0.68 C ATOM 205 O GLN A 20 -18.837 8.527 -4.094 1.00 0.72 O ATOM 206 CB GLN A 20 -19.877 5.885 -4.477 1.00 0.72 C ATOM 207 CG GLN A 20 -21.007 6.568 -3.697 1.00 0.75 C ATOM 208 CD GLN A 20 -21.182 6.104 -2.249 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.703 5.092 -1.762 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.964 6.852 -1.515 1.00 0.76 N ATOM 0 H GLN A 20 -18.644 6.113 -1.925 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.774 5.597 -4.688 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.943 6.208 -5.516 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -20.062 4.811 -4.465 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.826 7.643 -3.696 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.944 6.402 -4.229 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -22.372 7.701 -1.906 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -22.166 6.587 -0.551 1.00 0.76 H new ATOM 219 N GLY A 21 -16.708 7.785 -4.036 1.00 0.65 N ATOM 220 CA GLY A 21 -16.161 9.126 -4.218 1.00 0.65 C ATOM 221 C GLY A 21 -16.033 9.471 -5.716 1.00 0.68 C ATOM 222 O GLY A 21 -16.265 8.601 -6.547 1.00 0.69 O ATOM 0 H GLY A 21 -16.017 7.048 -3.893 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.805 9.855 -3.727 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -15.183 9.192 -3.741 1.00 0.65 H new ATOM 226 N VAL A 22 -15.511 10.618 -6.136 1.00 0.69 N ATOM 227 CA VAL A 22 -14.800 11.772 -5.508 1.00 0.68 C ATOM 228 C VAL A 22 -13.643 12.143 -6.461 1.00 0.67 C ATOM 229 O VAL A 22 -13.511 11.565 -7.536 1.00 0.68 O ATOM 230 CB VAL A 22 -14.290 11.563 -4.052 1.00 0.64 C ATOM 231 CG1 VAL A 22 -13.098 10.600 -3.913 1.00 0.60 C ATOM 232 CG2 VAL A 22 -14.081 12.876 -3.289 1.00 0.65 C ATOM 0 H VAL A 22 -15.587 10.812 -7.134 1.00 0.69 H new ATOM 0 HA VAL A 22 -15.525 12.576 -5.385 1.00 0.68 H new ATOM 0 HB VAL A 22 -15.115 11.047 -3.561 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.816 10.520 -2.863 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -13.379 9.616 -4.289 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -12.254 10.981 -4.488 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.725 12.659 -2.282 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -13.344 13.486 -3.810 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -15.025 13.418 -3.231 1.00 0.65 H new ATOM 242 N HIS A 23 -12.770 13.049 -6.039 1.00 0.66 N ATOM 243 CA HIS A 23 -11.575 13.402 -6.807 1.00 0.66 C ATOM 244 C HIS A 23 -10.305 13.049 -6.002 1.00 0.62 C ATOM 245 O HIS A 23 -10.278 13.265 -4.786 1.00 0.60 O ATOM 246 CB HIS A 23 -11.635 14.890 -7.166 1.00 0.69 C ATOM 247 CG HIS A 23 -10.576 15.268 -8.206 1.00 0.70 C ATOM 248 ND1 HIS A 23 -9.288 15.466 -7.946 1.00 0.68 N ATOM 249 CD2 HIS A 23 -10.765 15.492 -9.502 1.00 0.73 C ATOM 250 CE1 HIS A 23 -8.678 15.826 -9.073 1.00 0.70 C ATOM 251 NE2 HIS A 23 -9.595 15.842 -10.035 1.00 0.73 N ATOM 0 H HIS A 23 -12.866 13.559 -5.161 1.00 0.66 H new ATOM 0 HA HIS A 23 -11.537 12.829 -7.734 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -12.626 15.131 -7.552 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -11.490 15.487 -6.266 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -11.703 15.406 -10.031 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -7.630 16.062 -9.185 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -9.431 16.081 -11.013 1.00 0.73 H new ATOM 259 N PRO A 24 -9.258 12.585 -6.704 1.00 0.61 N ATOM 260 CA PRO A 24 -7.919 12.310 -6.139 1.00 0.58 C ATOM 261 C PRO A 24 -7.360 13.489 -5.343 1.00 0.58 C ATOM 262 O PRO A 24 -6.492 13.286 -4.507 1.00 0.56 O ATOM 263 CB PRO A 24 -7.001 12.148 -7.342 1.00 0.60 C ATOM 264 CG PRO A 24 -7.919 11.597 -8.421 1.00 0.62 C ATOM 265 CD PRO A 24 -9.261 12.262 -8.147 1.00 0.64 C ATOM 0 HA PRO A 24 -7.984 11.446 -5.477 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -6.558 13.099 -7.639 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -6.178 11.466 -7.129 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -7.551 11.839 -9.418 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.994 10.511 -8.364 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -9.383 13.162 -8.750 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -10.087 11.596 -8.398 1.00 0.64 H new ATOM 273 N LYS A 25 -7.860 14.694 -5.612 1.00 0.61 N ATOM 274 CA LYS A 25 -7.449 15.935 -4.942 1.00 0.61 C ATOM 275 C LYS A 25 -7.499 15.826 -3.408 1.00 0.59 C ATOM 276 O LYS A 25 -6.701 16.441 -2.712 1.00 0.59 O ATOM 277 CB LYS A 25 -8.367 17.065 -5.404 1.00 0.65 C ATOM 278 CG LYS A 25 -7.568 18.357 -5.569 1.00 0.67 C ATOM 279 CD LYS A 25 -8.426 19.526 -6.058 1.00 0.70 C ATOM 280 CE LYS A 25 -9.401 20.010 -4.984 1.00 0.71 C ATOM 281 NZ LYS A 25 -9.300 21.467 -4.840 1.00 0.74 N ATOM 0 H LYS A 25 -8.580 14.842 -6.319 1.00 0.61 H new ATOM 0 HA LYS A 25 -6.412 16.135 -5.213 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.839 16.797 -6.349 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -9.167 17.213 -4.679 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -7.112 18.621 -4.615 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -6.755 18.188 -6.275 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -7.779 20.350 -6.358 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.984 19.221 -6.943 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -10.420 19.732 -5.253 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -9.179 19.525 -4.033 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.965 21.790 -4.109 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -8.330 21.722 -4.564 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -9.533 21.922 -5.746 1.00 0.74 H new ATOM 295 N MET A 26 -8.404 14.973 -2.922 1.00 0.58 N ATOM 296 CA MET A 26 -8.539 14.669 -1.486 1.00 0.58 C ATOM 297 C MET A 26 -7.635 13.516 -1.015 1.00 0.54 C ATOM 298 O MET A 26 -7.380 13.351 0.181 1.00 0.54 O ATOM 299 CB MET A 26 -10.005 14.383 -1.151 1.00 0.59 C ATOM 300 CG MET A 26 -10.899 15.617 -1.340 1.00 0.67 C ATOM 301 SD MET A 26 -10.465 17.039 -0.270 1.00 0.79 S ATOM 302 CE MET A 26 -9.481 18.040 -1.368 1.00 1.08 C ATOM 0 H MET A 26 -9.068 14.470 -3.511 1.00 0.58 H new ATOM 0 HA MET A 26 -8.202 15.552 -0.943 1.00 0.58 H new ATOM 0 HB2 MET A 26 -10.369 13.574 -1.784 1.00 0.59 H new ATOM 0 HB3 MET A 26 -10.079 14.038 -0.120 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.846 15.933 -2.382 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.933 15.334 -1.145 1.00 0.67 H new ATOM 0 HE1 MET A 26 -8.458 18.091 -0.995 1.00 1.08 H new ATOM 0 HE2 MET A 26 -9.482 17.597 -2.364 1.00 1.08 H new ATOM 0 HE3 MET A 26 -9.900 19.045 -1.418 1.00 1.08 H new ATOM 312 N ILE A 27 -7.175 12.695 -1.952 1.00 0.52 N ATOM 313 CA ILE A 27 -6.325 11.549 -1.619 1.00 0.50 C ATOM 314 C ILE A 27 -4.859 11.960 -1.469 1.00 0.51 C ATOM 315 O ILE A 27 -4.325 12.698 -2.297 1.00 0.58 O ATOM 316 CB ILE A 27 -6.433 10.442 -2.693 1.00 0.53 C ATOM 317 CG1 ILE A 27 -7.903 10.106 -2.983 1.00 0.56 C ATOM 318 CG2 ILE A 27 -5.675 9.193 -2.259 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.673 9.601 -1.779 1.00 0.57 C ATOM 0 H ILE A 27 -7.374 12.798 -2.947 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.682 11.161 -0.665 1.00 0.50 H new ATOM 0 HB ILE A 27 -5.980 10.816 -3.611 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.398 10.997 -3.370 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -7.944 9.352 -3.769 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -5.764 8.427 -3.029 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.623 9.438 -2.112 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -6.095 8.819 -1.325 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.702 9.387 -2.069 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.205 8.691 -1.403 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.667 10.361 -0.998 1.00 0.57 H new ATOM 331 N SER A 28 -4.213 11.473 -0.406 1.00 0.49 N ATOM 332 CA SER A 28 -2.811 11.786 -0.142 1.00 0.54 C ATOM 333 C SER A 28 -2.053 10.552 0.363 1.00 0.55 C ATOM 334 O SER A 28 -0.944 10.666 0.884 1.00 0.69 O ATOM 335 CB SER A 28 -2.708 12.919 0.885 1.00 0.61 C ATOM 336 OG SER A 28 -3.293 14.113 0.395 1.00 0.69 O ATOM 0 H SER A 28 -4.642 10.859 0.286 1.00 0.49 H new ATOM 0 HA SER A 28 -2.355 12.106 -1.079 1.00 0.54 H new ATOM 0 HB2 SER A 28 -3.204 12.621 1.809 1.00 0.61 H new ATOM 0 HB3 SER A 28 -1.661 13.098 1.128 1.00 0.61 H new ATOM 0 HG SER A 28 -2.741 14.879 0.657 1.00 0.69 H new ATOM 342 N ASN A 29 -2.662 9.376 0.195 1.00 0.51 N ATOM 343 CA ASN A 29 -2.063 8.113 0.634 1.00 0.51 C ATOM 344 C ASN A 29 -2.839 6.930 0.055 1.00 0.50 C ATOM 345 O ASN A 29 -4.068 6.901 0.109 1.00 0.51 O ATOM 346 CB ASN A 29 -2.057 8.045 2.169 1.00 0.54 C ATOM 347 CG ASN A 29 -1.549 6.719 2.709 1.00 0.57 C ATOM 348 OD1 ASN A 29 -0.343 6.519 2.868 1.00 0.64 O ATOM 349 ND2 ASN A 29 -2.469 5.811 3.016 1.00 0.78 N ATOM 0 H ASN A 29 -3.576 9.272 -0.245 1.00 0.51 H new ATOM 0 HA ASN A 29 -1.036 8.064 0.273 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -1.435 8.851 2.559 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -3.068 8.216 2.537 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -2.187 4.909 3.399 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -3.457 6.016 2.869 1.00 0.78 H new ATOM 356 N LEU A 30 -2.117 5.956 -0.500 1.00 0.54 N ATOM 357 CA LEU A 30 -2.747 4.777 -1.091 1.00 0.56 C ATOM 358 C LEU A 30 -2.161 3.489 -0.514 1.00 0.57 C ATOM 359 O LEU A 30 -0.954 3.375 -0.332 1.00 0.74 O ATOM 360 CB LEU A 30 -2.575 4.790 -2.613 1.00 0.60 C ATOM 361 CG LEU A 30 -3.080 3.540 -3.344 1.00 0.67 C ATOM 362 CD1 LEU A 30 -4.598 3.464 -3.298 1.00 0.69 C ATOM 363 CD2 LEU A 30 -2.588 3.527 -4.783 1.00 0.73 C ATOM 0 H LEU A 30 -1.098 5.961 -0.552 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.809 4.809 -0.848 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -3.097 5.659 -3.013 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.517 4.921 -2.841 1.00 0.60 H new ATOM 0 HG LEU A 30 -2.680 2.663 -2.835 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -4.934 2.569 -3.823 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -4.929 3.422 -2.260 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -5.021 4.346 -3.778 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -2.956 2.633 -5.285 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -2.956 4.412 -5.301 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -1.498 3.527 -4.795 1.00 0.73 H new ATOM 375 N GLN A 31 -3.029 2.525 -0.227 1.00 0.50 N ATOM 376 CA GLN A 31 -2.597 1.242 0.319 1.00 0.51 C ATOM 377 C GLN A 31 -3.187 0.088 -0.490 1.00 0.52 C ATOM 378 O GLN A 31 -4.409 -0.062 -0.572 1.00 0.61 O ATOM 379 CB GLN A 31 -3.008 1.120 1.787 1.00 0.54 C ATOM 380 CG GLN A 31 -2.265 2.068 2.714 1.00 0.61 C ATOM 381 CD GLN A 31 -2.840 2.083 4.115 1.00 0.84 C ATOM 382 OE1 GLN A 31 -3.735 2.870 4.421 1.00 1.16 O ATOM 383 NE2 GLN A 31 -2.328 1.212 4.977 1.00 1.16 N ATOM 0 H GLN A 31 -4.037 2.607 -0.363 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.510 1.192 0.255 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -4.078 1.309 1.872 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.838 0.096 2.118 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -1.215 1.778 2.759 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -2.299 3.076 2.300 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -1.587 0.577 4.681 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -2.676 1.178 5.935 1.00 1.16 H new ATOM 392 N VAL A 32 -2.314 -0.720 -1.086 1.00 0.49 N ATOM 393 CA VAL A 32 -2.742 -1.858 -1.896 1.00 0.51 C ATOM 394 C VAL A 32 -2.601 -3.166 -1.125 1.00 0.50 C ATOM 395 O VAL A 32 -1.494 -3.603 -0.816 1.00 0.61 O ATOM 396 CB VAL A 32 -1.936 -1.956 -3.210 1.00 0.56 C ATOM 397 CG1 VAL A 32 -2.557 -2.982 -4.149 1.00 0.62 C ATOM 398 CG2 VAL A 32 -1.843 -0.596 -3.886 1.00 0.59 C ATOM 0 H VAL A 32 -1.302 -0.607 -1.023 1.00 0.49 H new ATOM 0 HA VAL A 32 -3.792 -1.693 -2.138 1.00 0.51 H new ATOM 0 HB VAL A 32 -0.926 -2.286 -2.966 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -1.973 -3.034 -5.068 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -2.563 -3.960 -3.667 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -3.579 -2.687 -4.385 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -1.271 -0.687 -4.810 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -2.845 -0.234 -4.114 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -1.345 0.108 -3.219 1.00 0.59 H new ATOM 408 N PHE A 33 -3.737 -3.782 -0.823 1.00 0.48 N ATOM 409 CA PHE A 33 -3.765 -5.044 -0.089 1.00 0.49 C ATOM 410 C PHE A 33 -4.209 -6.184 -1.001 1.00 0.52 C ATOM 411 O PHE A 33 -5.309 -6.154 -1.554 1.00 0.57 O ATOM 412 CB PHE A 33 -4.718 -4.939 1.105 1.00 0.52 C ATOM 413 CG PHE A 33 -4.231 -4.038 2.204 1.00 0.53 C ATOM 414 CD1 PHE A 33 -3.340 -4.508 3.155 1.00 0.63 C ATOM 415 CD2 PHE A 33 -4.671 -2.727 2.294 1.00 0.60 C ATOM 416 CE1 PHE A 33 -2.894 -3.687 4.172 1.00 0.73 C ATOM 417 CE2 PHE A 33 -4.229 -1.901 3.310 1.00 0.68 C ATOM 418 CZ PHE A 33 -3.340 -2.382 4.253 1.00 0.72 C ATOM 0 H PHE A 33 -4.659 -3.426 -1.077 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.758 -5.253 0.272 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.684 -4.576 0.754 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.882 -5.936 1.514 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -2.990 -5.528 3.100 1.00 0.63 H new ATOM 0 HD2 PHE A 33 -5.367 -2.346 1.562 1.00 0.60 H new ATOM 0 HE1 PHE A 33 -2.196 -4.065 4.904 1.00 0.73 H new ATOM 0 HE2 PHE A 33 -4.578 -0.880 3.367 1.00 0.68 H new ATOM 0 HZ PHE A 33 -2.995 -1.740 5.050 1.00 0.72 H new ATOM 428 N ALA A 34 -3.352 -7.191 -1.158 1.00 0.53 N ATOM 429 CA ALA A 34 -3.673 -8.335 -2.008 1.00 0.58 C ATOM 430 C ALA A 34 -4.366 -9.446 -1.216 1.00 0.58 C ATOM 431 O ALA A 34 -4.950 -9.198 -0.158 1.00 0.62 O ATOM 432 CB ALA A 34 -2.410 -8.865 -2.672 1.00 0.66 C ATOM 0 H ALA A 34 -2.436 -7.238 -0.711 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.366 -7.997 -2.778 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.661 -9.718 -3.303 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -1.963 -8.080 -3.283 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.700 -9.177 -1.906 1.00 0.66 H new ATOM 438 N ILE A 35 -4.312 -10.668 -1.747 1.00 0.63 N ATOM 439 CA ILE A 35 -4.925 -11.825 -1.102 1.00 0.65 C ATOM 440 C ILE A 35 -4.193 -12.184 0.190 1.00 0.62 C ATOM 441 O ILE A 35 -3.000 -12.496 0.176 1.00 0.68 O ATOM 442 CB ILE A 35 -4.931 -13.048 -2.049 1.00 0.77 C ATOM 443 CG1 ILE A 35 -5.787 -12.755 -3.286 1.00 0.91 C ATOM 444 CG2 ILE A 35 -5.441 -14.292 -1.329 1.00 0.80 C ATOM 445 CD1 ILE A 35 -5.728 -13.845 -4.336 1.00 1.14 C ATOM 0 H ILE A 35 -3.846 -10.881 -2.629 1.00 0.63 H new ATOM 0 HA ILE A 35 -5.954 -11.557 -0.862 1.00 0.65 H new ATOM 0 HB ILE A 35 -3.907 -13.239 -2.368 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -6.823 -12.616 -2.976 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -5.459 -11.816 -3.731 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -5.436 -15.138 -2.016 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -4.795 -14.511 -0.479 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -6.458 -14.117 -0.977 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -6.358 -13.570 -5.182 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -4.699 -13.969 -4.674 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -6.085 -14.782 -3.908 1.00 1.14 H new ATOM 457 N GLY A 36 -4.915 -12.131 1.306 1.00 0.61 N ATOM 458 CA GLY A 36 -4.326 -12.446 2.593 1.00 0.63 C ATOM 459 C GLY A 36 -5.059 -13.564 3.312 1.00 0.65 C ATOM 460 O GLY A 36 -5.979 -14.164 2.754 1.00 0.66 O ATOM 0 H GLY A 36 -5.902 -11.874 1.340 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.284 -12.732 2.451 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.329 -11.553 3.218 1.00 0.63 H new ATOM 464 N PRO A 37 -4.666 -13.868 4.563 1.00 0.69 N ATOM 465 CA PRO A 37 -5.287 -14.923 5.370 1.00 0.74 C ATOM 466 C PRO A 37 -6.634 -14.504 5.960 1.00 0.72 C ATOM 467 O PRO A 37 -7.357 -15.328 6.521 1.00 0.77 O ATOM 468 CB PRO A 37 -4.269 -15.163 6.500 1.00 0.81 C ATOM 469 CG PRO A 37 -3.073 -14.329 6.169 1.00 0.79 C ATOM 470 CD PRO A 37 -3.571 -13.219 5.292 1.00 0.71 C ATOM 0 HA PRO A 37 -5.502 -15.807 4.769 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -4.686 -14.879 7.466 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -4.002 -16.218 6.566 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -2.611 -13.934 7.074 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -2.315 -14.921 5.656 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -3.919 -12.365 5.874 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -2.795 -12.852 4.620 1.00 0.71 H new ATOM 478 N GLN A 38 -6.964 -13.225 5.829 1.00 0.66 N ATOM 479 CA GLN A 38 -8.229 -12.698 6.363 1.00 0.65 C ATOM 480 C GLN A 38 -9.231 -12.306 5.264 1.00 0.61 C ATOM 481 O GLN A 38 -10.421 -12.159 5.521 1.00 0.62 O ATOM 482 CB GLN A 38 -7.926 -11.505 7.277 1.00 0.65 C ATOM 483 CG GLN A 38 -7.271 -10.319 6.562 1.00 0.60 C ATOM 484 CD GLN A 38 -7.007 -9.183 7.545 1.00 0.63 C ATOM 485 OE1 GLN A 38 -6.256 -9.298 8.498 1.00 0.73 O ATOM 486 NE2 GLN A 38 -7.591 -8.042 7.272 1.00 0.61 N ATOM 0 H GLN A 38 -6.381 -12.531 5.361 1.00 0.66 H new ATOM 0 HA GLN A 38 -8.709 -13.495 6.932 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -8.855 -11.169 7.738 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -7.271 -11.836 8.083 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -6.335 -10.636 6.103 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -7.918 -9.969 5.758 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.216 -7.968 6.469 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -7.421 -7.228 7.862 1.00 0.61 H new ATOM 495 N CYS A 39 -8.717 -12.075 4.057 1.00 0.57 N ATOM 496 CA CYS A 39 -9.551 -11.647 2.939 1.00 0.55 C ATOM 497 C CYS A 39 -8.981 -12.132 1.610 1.00 0.61 C ATOM 498 O CYS A 39 -7.838 -11.832 1.270 1.00 0.71 O ATOM 499 CB CYS A 39 -9.641 -10.115 2.941 1.00 0.49 C ATOM 500 SG CYS A 39 -11.083 -9.427 2.064 1.00 0.47 S ATOM 0 H CYS A 39 -7.728 -12.177 3.830 1.00 0.57 H new ATOM 0 HA CYS A 39 -10.544 -12.080 3.055 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.664 -9.769 3.974 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -8.734 -9.712 2.490 1.00 0.49 H new ATOM 505 N SER A 40 -9.786 -12.878 0.858 1.00 0.67 N ATOM 506 CA SER A 40 -9.357 -13.395 -0.438 1.00 0.78 C ATOM 507 C SER A 40 -9.886 -12.509 -1.568 1.00 0.74 C ATOM 508 O SER A 40 -10.287 -12.996 -2.625 1.00 0.97 O ATOM 509 CB SER A 40 -9.840 -14.837 -0.615 1.00 0.92 C ATOM 510 OG SER A 40 -9.210 -15.455 -1.726 1.00 1.07 O ATOM 0 H SER A 40 -10.736 -13.137 1.123 1.00 0.67 H new ATOM 0 HA SER A 40 -8.268 -13.385 -0.477 1.00 0.78 H new ATOM 0 HB2 SER A 40 -9.630 -15.408 0.290 1.00 0.92 H new ATOM 0 HB3 SER A 40 -10.921 -14.847 -0.754 1.00 0.92 H new ATOM 0 HG SER A 40 -9.320 -14.891 -2.520 1.00 1.07 H new ATOM 516 N LYS A 41 -9.873 -11.202 -1.329 1.00 0.72 N ATOM 517 CA LYS A 41 -10.351 -10.232 -2.307 1.00 0.69 C ATOM 518 C LYS A 41 -9.431 -9.017 -2.346 1.00 0.68 C ATOM 519 O LYS A 41 -8.941 -8.569 -1.309 1.00 0.70 O ATOM 520 CB LYS A 41 -11.778 -9.790 -1.957 1.00 0.68 C ATOM 521 CG LYS A 41 -12.388 -8.818 -2.955 1.00 0.77 C ATOM 522 CD LYS A 41 -13.606 -8.117 -2.373 1.00 0.88 C ATOM 523 CE LYS A 41 -14.191 -7.110 -3.352 1.00 1.07 C ATOM 524 NZ LYS A 41 -15.261 -6.284 -2.726 1.00 1.29 N ATOM 0 H LYS A 41 -9.534 -10.788 -0.460 1.00 0.72 H new ATOM 0 HA LYS A 41 -10.352 -10.704 -3.289 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -12.414 -10.672 -1.890 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -11.772 -9.326 -0.971 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -11.643 -8.077 -3.245 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -12.673 -9.354 -3.860 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -14.364 -8.857 -2.114 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -13.328 -7.609 -1.450 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -13.398 -6.459 -3.720 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -14.597 -7.637 -4.215 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -15.634 -5.611 -3.425 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -16.030 -6.903 -2.397 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -14.868 -5.761 -1.918 1.00 1.29 H new ATOM 538 N VAL A 42 -9.194 -8.494 -3.545 1.00 0.67 N ATOM 539 CA VAL A 42 -8.343 -7.322 -3.708 1.00 0.68 C ATOM 540 C VAL A 42 -9.140 -6.040 -3.472 1.00 0.67 C ATOM 541 O VAL A 42 -10.102 -5.750 -4.182 1.00 0.75 O ATOM 542 CB VAL A 42 -7.677 -7.284 -5.102 1.00 0.74 C ATOM 543 CG1 VAL A 42 -6.567 -8.320 -5.181 1.00 0.80 C ATOM 544 CG2 VAL A 42 -8.697 -7.512 -6.210 1.00 0.83 C ATOM 0 H VAL A 42 -9.578 -8.862 -4.415 1.00 0.67 H new ATOM 0 HA VAL A 42 -7.551 -7.392 -2.962 1.00 0.68 H new ATOM 0 HB VAL A 42 -7.248 -6.292 -5.244 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -6.105 -8.284 -6.168 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.816 -8.107 -4.421 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -6.983 -9.313 -5.011 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -8.196 -7.479 -7.178 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -9.167 -8.487 -6.077 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -9.459 -6.734 -6.169 1.00 0.83 H new ATOM 554 N GLU A 43 -8.748 -5.289 -2.448 1.00 0.60 N ATOM 555 CA GLU A 43 -9.424 -4.039 -2.112 1.00 0.59 C ATOM 556 C GLU A 43 -8.422 -2.895 -2.031 1.00 0.58 C ATOM 557 O GLU A 43 -7.326 -3.056 -1.494 1.00 0.63 O ATOM 558 CB GLU A 43 -10.173 -4.175 -0.783 1.00 0.60 C ATOM 559 CG GLU A 43 -11.097 -5.383 -0.720 1.00 0.66 C ATOM 560 CD GLU A 43 -11.820 -5.502 0.607 1.00 0.70 C ATOM 561 OE1 GLU A 43 -11.185 -5.924 1.595 1.00 0.75 O ATOM 562 OE2 GLU A 43 -13.023 -5.175 0.656 1.00 0.79 O ATOM 0 H GLU A 43 -7.966 -5.523 -1.836 1.00 0.60 H new ATOM 0 HA GLU A 43 -10.144 -3.818 -2.900 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -9.447 -4.242 0.027 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.759 -3.272 -0.613 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -11.831 -5.316 -1.523 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -10.516 -6.289 -0.894 1.00 0.66 H new ATOM 569 N VAL A 44 -8.802 -1.738 -2.568 1.00 0.55 N ATOM 570 CA VAL A 44 -7.923 -0.576 -2.553 1.00 0.56 C ATOM 571 C VAL A 44 -8.410 0.485 -1.570 1.00 0.54 C ATOM 572 O VAL A 44 -9.457 1.104 -1.757 1.00 0.57 O ATOM 573 CB VAL A 44 -7.753 0.050 -3.956 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.735 -0.734 -4.771 1.00 0.66 C ATOM 575 CG2 VAL A 44 -9.082 0.119 -4.695 1.00 0.64 C ATOM 0 H VAL A 44 -9.706 -1.582 -3.015 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.949 -0.939 -2.225 1.00 0.56 H new ATOM 0 HB VAL A 44 -7.388 1.068 -3.824 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.629 -0.279 -5.756 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.772 -0.722 -4.260 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -7.074 -1.764 -4.882 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -8.929 0.564 -5.678 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.487 -0.886 -4.811 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.784 0.729 -4.126 1.00 0.64 H new ATOM 585 N VAL A 45 -7.636 0.669 -0.507 1.00 0.51 N ATOM 586 CA VAL A 45 -7.947 1.668 0.536 1.00 0.50 C ATOM 587 C VAL A 45 -7.086 2.937 0.356 1.00 0.51 C ATOM 588 O VAL A 45 -6.030 2.937 -0.281 1.00 0.54 O ATOM 589 CB VAL A 45 -7.859 1.081 1.966 1.00 0.51 C ATOM 590 CG1 VAL A 45 -8.109 -0.412 1.994 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.493 1.115 2.612 1.00 0.67 C ATOM 0 H VAL A 45 -6.781 0.141 -0.334 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.989 1.963 0.408 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.590 1.707 2.478 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -8.036 -0.774 3.020 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -9.106 -0.621 1.606 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -7.366 -0.917 1.377 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -6.551 0.679 3.609 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.790 0.543 2.006 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -6.152 2.147 2.687 1.00 0.67 H new ATOM 601 N ALA A 46 -7.643 4.058 0.776 1.00 0.52 N ATOM 602 CA ALA A 46 -6.963 5.366 0.682 1.00 0.54 C ATOM 603 C ALA A 46 -7.214 6.212 1.933 1.00 0.55 C ATOM 604 O ALA A 46 -8.212 6.023 2.635 1.00 0.55 O ATOM 605 CB ALA A 46 -7.442 6.113 -0.567 1.00 0.58 C ATOM 0 H ALA A 46 -8.573 4.103 1.192 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.890 5.189 0.607 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.937 7.077 -0.631 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -7.212 5.523 -1.454 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.519 6.271 -0.506 1.00 0.58 H new ATOM 611 N SER A 47 -6.270 7.101 2.209 1.00 0.57 N ATOM 612 CA SER A 47 -6.371 8.048 3.334 1.00 0.60 C ATOM 613 C SER A 47 -6.233 9.487 2.834 1.00 0.64 C ATOM 614 O SER A 47 -5.331 9.826 2.057 1.00 0.65 O ATOM 615 CB SER A 47 -5.293 7.788 4.385 1.00 0.63 C ATOM 616 OG SER A 47 -5.349 6.425 4.814 1.00 0.62 O ATOM 0 H SER A 47 -5.411 7.194 1.667 1.00 0.57 H new ATOM 0 HA SER A 47 -7.350 7.903 3.790 1.00 0.60 H new ATOM 0 HB2 SER A 47 -4.309 8.008 3.971 1.00 0.63 H new ATOM 0 HB3 SER A 47 -5.436 8.453 5.237 1.00 0.63 H new ATOM 0 HG SER A 47 -4.654 6.265 5.486 1.00 0.62 H new ATOM 622 N LEU A 48 -7.141 10.334 3.307 1.00 0.66 N ATOM 623 CA LEU A 48 -7.162 11.745 2.943 1.00 0.71 C ATOM 624 C LEU A 48 -6.095 12.522 3.712 1.00 0.74 C ATOM 625 O LEU A 48 -5.436 11.979 4.600 1.00 0.74 O ATOM 626 CB LEU A 48 -8.544 12.347 3.232 1.00 0.72 C ATOM 627 CG LEU A 48 -9.611 12.115 2.154 1.00 0.74 C ATOM 628 CD1 LEU A 48 -10.056 10.661 2.126 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.802 13.032 2.387 1.00 0.79 C ATOM 0 H LEU A 48 -7.882 10.062 3.953 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.950 11.821 1.877 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.909 11.935 4.173 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -8.429 13.421 3.377 1.00 0.72 H new ATOM 0 HG LEU A 48 -9.171 12.349 1.185 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.812 10.527 1.353 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.199 10.022 1.911 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.476 10.390 3.095 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -11.552 12.858 1.615 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -11.234 12.826 3.366 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -10.475 14.071 2.347 1.00 0.79 H new ATOM 641 N LYS A 49 -5.937 13.800 3.370 1.00 0.80 N ATOM 642 CA LYS A 49 -4.958 14.659 4.032 1.00 0.86 C ATOM 643 C LYS A 49 -5.486 15.137 5.388 1.00 0.87 C ATOM 644 O LYS A 49 -4.731 15.637 6.223 1.00 0.93 O ATOM 645 CB LYS A 49 -4.620 15.856 3.136 1.00 0.94 C ATOM 646 CG LYS A 49 -3.481 16.721 3.658 1.00 1.01 C ATOM 647 CD LYS A 49 -2.164 15.958 3.697 1.00 1.07 C ATOM 648 CE LYS A 49 -1.059 16.788 4.329 1.00 1.20 C ATOM 649 NZ LYS A 49 -1.366 17.138 5.744 1.00 1.23 N ATOM 0 H LYS A 49 -6.475 14.263 2.638 1.00 0.80 H new ATOM 0 HA LYS A 49 -4.050 14.082 4.206 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -4.359 15.490 2.143 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -5.510 16.475 3.024 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -3.373 17.601 3.024 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -3.724 17.077 4.659 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -2.294 15.034 4.260 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -1.875 15.676 2.684 1.00 1.07 H new ATOM 0 HE2 LYS A 49 -0.121 16.235 4.287 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -0.916 17.702 3.752 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 -0.492 17.427 6.228 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -2.050 17.921 5.767 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -1.771 16.310 6.226 1.00 1.23 H new ATOM 663 N ASN A 50 -6.787 14.963 5.601 1.00 0.84 N ATOM 664 CA ASN A 50 -7.428 15.369 6.849 1.00 0.88 C ATOM 665 C ASN A 50 -7.257 14.299 7.930 1.00 0.84 C ATOM 666 O ASN A 50 -7.733 14.463 9.055 1.00 1.01 O ATOM 667 CB ASN A 50 -8.918 15.635 6.617 1.00 0.90 C ATOM 668 CG ASN A 50 -9.164 16.716 5.581 1.00 0.98 C ATOM 669 OD1 ASN A 50 -8.376 17.650 5.438 1.00 1.05 O ATOM 670 ND2 ASN A 50 -10.266 16.591 4.848 1.00 1.01 N ATOM 0 H ASN A 50 -7.421 14.542 4.922 1.00 0.84 H new ATOM 0 HA ASN A 50 -6.946 16.285 7.191 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -9.402 14.713 6.296 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -9.382 15.928 7.559 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -10.485 17.286 4.134 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -10.892 15.800 5.000 1.00 1.01 H new ATOM 677 N GLY A 51 -6.576 13.210 7.581 1.00 0.70 N ATOM 678 CA GLY A 51 -6.357 12.128 8.526 1.00 0.69 C ATOM 679 C GLY A 51 -7.523 11.162 8.580 1.00 0.64 C ATOM 680 O GLY A 51 -7.932 10.727 9.658 1.00 0.69 O ATOM 0 H GLY A 51 -6.171 13.058 6.657 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.452 11.586 8.250 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.188 12.545 9.519 1.00 0.69 H new ATOM 684 N LYS A 52 -8.066 10.829 7.410 1.00 0.60 N ATOM 685 CA LYS A 52 -9.196 9.910 7.319 1.00 0.57 C ATOM 686 C LYS A 52 -8.869 8.734 6.408 1.00 0.53 C ATOM 687 O LYS A 52 -8.096 8.866 5.475 1.00 0.62 O ATOM 688 CB LYS A 52 -10.431 10.642 6.789 1.00 0.62 C ATOM 689 CG LYS A 52 -10.936 11.742 7.710 1.00 0.70 C ATOM 690 CD LYS A 52 -12.063 12.539 7.069 1.00 0.86 C ATOM 691 CE LYS A 52 -13.294 11.681 6.824 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.386 12.454 6.174 1.00 1.19 N ATOM 0 H LYS A 52 -7.740 11.184 6.511 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.402 9.529 8.319 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -10.196 11.075 5.817 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.231 9.918 6.631 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.286 11.302 8.644 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.114 12.412 7.962 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.327 13.378 7.713 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -11.719 12.959 6.124 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -13.026 10.832 6.195 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.649 11.276 7.772 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.208 11.835 6.024 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -14.659 13.250 6.785 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -14.055 12.819 5.258 1.00 1.19 H new ATOM 706 N GLU A 53 -9.472 7.589 6.691 1.00 0.52 N ATOM 707 CA GLU A 53 -9.261 6.367 5.896 1.00 0.49 C ATOM 708 C GLU A 53 -10.613 5.764 5.497 1.00 0.49 C ATOM 709 O GLU A 53 -11.519 5.616 6.322 1.00 0.51 O ATOM 710 CB GLU A 53 -8.429 5.361 6.701 1.00 0.49 C ATOM 711 CG GLU A 53 -9.178 4.854 7.941 1.00 0.63 C ATOM 712 CD GLU A 53 -8.306 4.038 8.879 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.317 4.623 9.367 1.00 0.64 O ATOM 714 OE2 GLU A 53 -8.700 2.882 9.145 1.00 0.69 O ATOM 0 H GLU A 53 -10.119 7.471 7.471 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.715 6.616 4.986 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.168 4.515 6.065 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.494 5.829 7.009 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -9.585 5.707 8.485 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -10.024 4.246 7.622 1.00 0.63 H new ATOM 721 N ILE A 54 -10.736 5.488 4.221 1.00 0.47 N ATOM 722 CA ILE A 54 -11.961 4.862 3.682 1.00 0.47 C ATOM 723 C ILE A 54 -11.592 3.620 2.861 1.00 0.45 C ATOM 724 O ILE A 54 -10.416 3.317 2.644 1.00 0.43 O ATOM 725 CB ILE A 54 -12.795 5.886 2.888 1.00 0.49 C ATOM 726 CG1 ILE A 54 -12.019 6.400 1.660 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.289 7.011 3.815 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.832 7.287 0.713 1.00 0.51 C ATOM 0 H ILE A 54 -10.017 5.679 3.524 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.594 4.528 4.504 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.685 5.394 2.494 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -11.151 6.961 2.005 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.643 5.543 1.100 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.876 7.726 3.239 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -13.908 6.586 4.605 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.433 7.519 4.259 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -12.204 7.601 -0.121 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.686 6.726 0.333 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -13.186 8.166 1.252 1.00 0.51 H new ATOM 740 N CYS A 55 -12.629 2.980 2.342 1.00 0.46 N ATOM 741 CA CYS A 55 -12.480 1.800 1.480 1.00 0.44 C ATOM 742 C CYS A 55 -13.251 2.022 0.186 1.00 0.46 C ATOM 743 O CYS A 55 -14.400 2.455 0.185 1.00 0.49 O ATOM 744 CB CYS A 55 -13.041 0.569 2.175 1.00 0.45 C ATOM 745 SG CYS A 55 -12.055 0.028 3.617 1.00 0.43 S ATOM 0 H CYS A 55 -13.598 3.257 2.501 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.421 1.649 1.270 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -14.060 0.779 2.500 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -13.098 -0.249 1.457 1.00 0.45 H new ATOM 750 N LEU A 56 -12.615 1.622 -0.891 1.00 0.46 N ATOM 751 CA LEU A 56 -13.191 1.782 -2.223 1.00 0.49 C ATOM 752 C LEU A 56 -13.481 0.394 -2.804 1.00 0.50 C ATOM 753 O LEU A 56 -12.810 -0.591 -2.480 1.00 0.48 O ATOM 754 CB LEU A 56 -12.143 2.595 -2.996 1.00 0.49 C ATOM 755 CG LEU A 56 -11.778 3.987 -2.465 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.899 4.695 -3.496 1.00 0.49 C ATOM 757 CD2 LEU A 56 -13.005 4.844 -2.143 1.00 0.51 C ATOM 0 H LEU A 56 -11.695 1.181 -0.879 1.00 0.46 H new ATOM 0 HA LEU A 56 -14.147 2.305 -2.255 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -11.228 2.004 -3.041 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.498 2.711 -4.020 1.00 0.49 H new ATOM 0 HG LEU A 56 -11.240 3.853 -1.526 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.633 5.686 -3.128 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.992 4.114 -3.661 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -11.444 4.790 -4.435 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.682 5.817 -1.772 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.601 4.980 -3.045 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.607 4.347 -1.382 1.00 0.51 H new ATOM 769 N ASP A 57 -14.452 0.316 -3.701 1.00 0.53 N ATOM 770 CA ASP A 57 -14.764 -0.950 -4.349 1.00 0.54 C ATOM 771 C ASP A 57 -14.143 -0.993 -5.747 1.00 0.57 C ATOM 772 O ASP A 57 -14.568 -0.256 -6.638 1.00 0.62 O ATOM 773 CB ASP A 57 -16.273 -1.160 -4.444 1.00 0.59 C ATOM 774 CG ASP A 57 -16.673 -2.582 -4.107 1.00 0.60 C ATOM 775 OD1 ASP A 57 -16.116 -3.518 -4.719 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.536 -2.763 -3.223 1.00 0.67 O ATOM 0 H ASP A 57 -15.031 1.103 -3.995 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.344 -1.753 -3.744 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.778 -0.472 -3.766 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.609 -0.919 -5.452 1.00 0.59 H new ATOM 781 N PRO A 58 -13.120 -1.859 -5.955 1.00 0.58 N ATOM 782 CA PRO A 58 -12.437 -2.001 -7.257 1.00 0.64 C ATOM 783 C PRO A 58 -13.393 -2.475 -8.344 1.00 0.73 C ATOM 784 O PRO A 58 -13.107 -2.377 -9.538 1.00 0.86 O ATOM 785 CB PRO A 58 -11.361 -3.062 -6.996 1.00 0.68 C ATOM 786 CG PRO A 58 -11.224 -3.145 -5.515 1.00 0.63 C ATOM 787 CD PRO A 58 -12.558 -2.766 -4.941 1.00 0.59 C ATOM 0 HA PRO A 58 -12.031 -1.053 -7.610 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -11.651 -4.025 -7.416 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -10.416 -2.783 -7.461 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.941 -4.152 -5.208 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.444 -2.472 -5.159 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -13.192 -3.639 -4.787 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.454 -2.273 -3.974 1.00 0.59 H new ATOM 795 N GLU A 59 -14.528 -2.994 -7.894 1.00 0.69 N ATOM 796 CA GLU A 59 -15.601 -3.480 -8.772 1.00 0.81 C ATOM 797 C GLU A 59 -16.257 -2.369 -9.623 1.00 0.87 C ATOM 798 O GLU A 59 -16.963 -2.650 -10.592 1.00 0.96 O ATOM 799 CB GLU A 59 -16.647 -4.194 -7.907 1.00 0.84 C ATOM 800 CG GLU A 59 -17.677 -4.925 -8.766 1.00 1.11 C ATOM 801 CD GLU A 59 -18.701 -5.686 -7.934 1.00 1.18 C ATOM 802 OE1 GLU A 59 -19.398 -5.022 -7.133 1.00 1.35 O ATOM 803 OE2 GLU A 59 -18.752 -6.917 -8.120 1.00 1.29 O ATOM 0 H GLU A 59 -14.738 -3.093 -6.901 1.00 0.69 H new ATOM 0 HA GLU A 59 -15.158 -4.168 -9.492 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -16.151 -4.906 -7.247 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -17.152 -3.467 -7.270 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -18.193 -4.204 -9.400 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -17.163 -5.621 -9.429 1.00 1.11 H new ATOM 810 N ALA A 60 -16.043 -1.116 -9.241 1.00 0.84 N ATOM 811 CA ALA A 60 -16.628 0.024 -9.951 1.00 0.92 C ATOM 812 C ALA A 60 -15.588 0.673 -10.889 1.00 0.95 C ATOM 813 O ALA A 60 -14.474 0.978 -10.459 1.00 0.92 O ATOM 814 CB ALA A 60 -17.148 1.008 -8.909 1.00 0.91 C ATOM 0 H ALA A 60 -15.466 -0.859 -8.440 1.00 0.84 H new ATOM 0 HA ALA A 60 -17.454 -0.301 -10.584 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -17.590 1.869 -9.410 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.903 0.520 -8.292 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -16.323 1.340 -8.278 1.00 0.91 H new ATOM 820 N PRO A 61 -15.999 0.984 -12.125 1.00 1.04 N ATOM 821 CA PRO A 61 -15.122 1.586 -13.150 1.00 1.08 C ATOM 822 C PRO A 61 -14.643 2.999 -12.787 1.00 1.06 C ATOM 823 O PRO A 61 -13.444 3.271 -12.824 1.00 1.05 O ATOM 824 CB PRO A 61 -15.961 1.582 -14.428 1.00 1.20 C ATOM 825 CG PRO A 61 -17.396 1.696 -13.912 1.00 1.24 C ATOM 826 CD PRO A 61 -17.377 0.847 -12.642 1.00 1.13 C ATOM 0 HA PRO A 61 -14.198 1.018 -13.255 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -15.702 2.415 -15.081 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -15.812 0.668 -15.003 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -17.667 2.730 -13.701 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -18.116 1.319 -14.638 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -18.110 1.201 -11.917 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -17.619 -0.194 -12.857 1.00 1.13 H new ATOM 834 N PHE A 62 -15.554 3.813 -12.247 1.00 1.08 N ATOM 835 CA PHE A 62 -15.233 5.180 -11.783 1.00 1.08 C ATOM 836 C PHE A 62 -14.178 5.171 -10.672 1.00 0.97 C ATOM 837 O PHE A 62 -13.383 6.097 -10.541 1.00 0.97 O ATOM 838 CB PHE A 62 -16.486 5.915 -11.294 1.00 1.15 C ATOM 839 CG PHE A 62 -17.127 5.270 -10.063 1.00 1.13 C ATOM 840 CD1 PHE A 62 -16.709 5.639 -8.790 1.00 1.08 C ATOM 841 CD2 PHE A 62 -18.142 4.339 -10.226 1.00 1.18 C ATOM 842 CE1 PHE A 62 -17.313 5.078 -7.675 1.00 1.10 C ATOM 843 CE2 PHE A 62 -18.757 3.790 -9.109 1.00 1.19 C ATOM 844 CZ PHE A 62 -18.337 4.152 -7.838 1.00 1.15 C ATOM 0 H PHE A 62 -16.531 3.552 -12.116 1.00 1.08 H new ATOM 0 HA PHE A 62 -14.825 5.711 -12.643 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -16.225 6.947 -11.060 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -17.218 5.947 -12.101 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -15.915 6.361 -8.669 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -18.452 4.043 -11.217 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -16.989 5.359 -6.684 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -19.563 3.081 -9.230 1.00 1.19 H new ATOM 0 HZ PHE A 62 -18.808 3.713 -6.971 1.00 1.15 H new ATOM 854 N LEU A 63 -14.121 4.057 -9.963 1.00 0.89 N ATOM 855 CA LEU A 63 -13.164 3.873 -8.899 1.00 0.79 C ATOM 856 C LEU A 63 -11.811 3.431 -9.468 1.00 0.80 C ATOM 857 O LEU A 63 -10.763 3.775 -8.928 1.00 0.80 O ATOM 858 CB LEU A 63 -13.692 2.836 -7.920 1.00 0.72 C ATOM 859 CG LEU A 63 -13.224 3.015 -6.489 1.00 0.64 C ATOM 860 CD1 LEU A 63 -14.420 2.986 -5.549 1.00 0.60 C ATOM 861 CD2 LEU A 63 -12.207 1.939 -6.135 1.00 0.63 C ATOM 0 H LEU A 63 -14.738 3.259 -10.113 1.00 0.89 H new ATOM 0 HA LEU A 63 -13.020 4.819 -8.377 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -14.782 2.863 -7.937 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -13.392 1.846 -8.264 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.735 3.983 -6.382 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -14.079 3.115 -4.522 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -15.106 3.793 -5.808 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.934 2.029 -5.643 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.876 2.075 -5.105 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.665 0.956 -6.242 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -11.350 2.014 -6.804 1.00 0.63 H new ATOM 873 N LYS A 64 -11.850 2.679 -10.571 1.00 0.85 N ATOM 874 CA LYS A 64 -10.638 2.189 -11.242 1.00 0.90 C ATOM 875 C LYS A 64 -9.931 3.331 -11.986 1.00 0.94 C ATOM 876 O LYS A 64 -8.787 3.207 -12.425 1.00 0.99 O ATOM 877 CB LYS A 64 -11.007 1.068 -12.219 1.00 1.00 C ATOM 878 CG LYS A 64 -9.809 0.331 -12.801 1.00 1.10 C ATOM 879 CD LYS A 64 -10.210 -0.580 -13.954 1.00 1.26 C ATOM 880 CE LYS A 64 -10.650 0.209 -15.178 1.00 1.46 C ATOM 881 NZ LYS A 64 -10.979 -0.684 -16.324 1.00 1.71 N ATOM 0 H LYS A 64 -12.718 2.392 -11.024 1.00 0.85 H new ATOM 0 HA LYS A 64 -9.953 1.798 -10.489 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -11.648 0.350 -11.706 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.592 1.491 -13.036 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -9.071 1.054 -13.149 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -9.332 -0.260 -12.020 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -9.369 -1.221 -14.219 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -11.021 -1.234 -13.634 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -11.521 0.813 -14.927 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -9.858 0.898 -15.470 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -11.274 -0.109 -17.139 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -10.140 -1.243 -16.581 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -11.752 -1.325 -16.054 1.00 1.71 H new ATOM 895 N LYS A 65 -10.641 4.437 -12.123 1.00 0.94 N ATOM 896 CA LYS A 65 -10.130 5.647 -12.790 1.00 0.99 C ATOM 897 C LYS A 65 -9.308 6.543 -11.860 1.00 0.96 C ATOM 898 O LYS A 65 -8.115 6.743 -12.083 1.00 1.01 O ATOM 899 CB LYS A 65 -11.297 6.446 -13.357 1.00 1.02 C ATOM 900 CG LYS A 65 -12.022 5.674 -14.459 1.00 1.09 C ATOM 901 CD LYS A 65 -13.118 6.531 -15.098 1.00 1.15 C ATOM 902 CE LYS A 65 -12.558 7.752 -15.844 1.00 1.21 C ATOM 903 NZ LYS A 65 -11.700 7.352 -16.969 1.00 1.29 N ATOM 0 H LYS A 65 -11.595 4.533 -11.776 1.00 0.94 H new ATOM 0 HA LYS A 65 -9.464 5.314 -13.586 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -11.998 6.685 -12.557 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -10.932 7.393 -13.755 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -11.307 5.363 -15.221 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -12.460 4.766 -14.044 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -13.693 5.919 -15.792 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -13.807 6.868 -14.324 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -13.382 8.363 -16.213 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -11.987 8.371 -15.152 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -11.505 8.179 -17.568 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -10.804 6.970 -16.604 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -12.183 6.623 -17.532 1.00 1.29 H new ATOM 917 N VAL A 66 -9.936 6.937 -10.750 1.00 0.90 N ATOM 918 CA VAL A 66 -9.293 7.771 -9.745 1.00 0.88 C ATOM 919 C VAL A 66 -8.070 7.077 -9.130 1.00 0.88 C ATOM 920 O VAL A 66 -7.157 7.749 -8.654 1.00 0.91 O ATOM 921 CB VAL A 66 -10.279 8.169 -8.623 1.00 0.85 C ATOM 922 CG1 VAL A 66 -11.395 9.040 -9.177 1.00 0.87 C ATOM 923 CG2 VAL A 66 -10.854 6.935 -7.940 1.00 0.85 C ATOM 0 H VAL A 66 -10.899 6.686 -10.528 1.00 0.90 H new ATOM 0 HA VAL A 66 -8.961 8.674 -10.258 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.729 8.743 -7.878 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -12.079 9.310 -8.373 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -10.969 9.945 -9.610 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -11.938 8.490 -9.946 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -11.545 7.242 -7.155 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -11.385 6.328 -8.673 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -10.044 6.351 -7.503 1.00 0.85 H new ATOM 933 N ILE A 67 -8.046 5.731 -9.138 1.00 0.88 N ATOM 934 CA ILE A 67 -6.899 5.003 -8.594 1.00 0.91 C ATOM 935 C ILE A 67 -5.701 5.144 -9.524 1.00 0.98 C ATOM 936 O ILE A 67 -4.557 5.116 -9.075 1.00 1.05 O ATOM 937 CB ILE A 67 -7.175 3.507 -8.309 1.00 0.92 C ATOM 938 CG1 ILE A 67 -7.574 2.764 -9.585 1.00 0.93 C ATOM 939 CG2 ILE A 67 -8.243 3.361 -7.234 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.578 1.256 -9.437 1.00 1.00 C ATOM 0 H ILE A 67 -8.792 5.142 -9.508 1.00 0.88 H new ATOM 0 HA ILE A 67 -6.686 5.459 -7.627 1.00 0.91 H new ATOM 0 HB ILE A 67 -6.254 3.055 -7.942 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -8.567 3.093 -9.890 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -6.887 3.040 -10.385 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -8.426 2.303 -7.044 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -7.903 3.841 -6.316 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -9.165 3.834 -7.571 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -7.871 0.798 -10.382 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -6.580 0.915 -9.162 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -8.286 0.969 -8.660 1.00 1.00 H new ATOM 952 N GLN A 68 -5.958 5.271 -10.830 1.00 0.99 N ATOM 953 CA GLN A 68 -4.856 5.499 -11.781 1.00 1.08 C ATOM 954 C GLN A 68 -4.274 6.909 -11.602 1.00 1.06 C ATOM 955 O GLN A 68 -3.057 7.080 -11.537 1.00 1.09 O ATOM 956 CB GLN A 68 -5.364 5.323 -13.205 1.00 1.16 C ATOM 957 CG GLN A 68 -4.212 5.362 -14.200 1.00 1.27 C ATOM 958 CD GLN A 68 -4.726 5.156 -15.617 1.00 1.37 C ATOM 959 OE1 GLN A 68 -5.605 5.839 -16.123 1.00 1.41 O ATOM 960 NE2 GLN A 68 -4.122 4.199 -16.283 1.00 1.52 N ATOM 0 H GLN A 68 -6.888 5.222 -11.247 1.00 0.99 H new ATOM 0 HA GLN A 68 -4.067 4.772 -11.586 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -5.893 4.374 -13.292 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -6.080 6.110 -13.440 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -3.695 6.319 -14.130 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -3.485 4.588 -13.954 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -3.392 3.647 -15.833 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -4.383 4.008 -17.251 1.00 1.52 H new ATOM 969 N LYS A 69 -5.158 7.898 -11.455 1.00 1.05 N ATOM 970 CA LYS A 69 -4.749 9.294 -11.284 1.00 1.06 C ATOM 971 C LYS A 69 -3.867 9.508 -10.049 1.00 1.08 C ATOM 972 O LYS A 69 -2.926 10.297 -10.094 1.00 1.15 O ATOM 973 CB LYS A 69 -5.975 10.205 -11.198 1.00 1.03 C ATOM 974 CG LYS A 69 -6.611 10.505 -12.545 1.00 1.10 C ATOM 975 CD LYS A 69 -7.612 11.644 -12.444 1.00 1.19 C ATOM 976 CE LYS A 69 -8.080 12.101 -13.816 1.00 1.38 C ATOM 977 NZ LYS A 69 -8.983 13.282 -13.733 1.00 1.58 N ATOM 0 H LYS A 69 -6.168 7.756 -11.451 1.00 1.05 H new ATOM 0 HA LYS A 69 -4.155 9.550 -12.161 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -6.718 9.738 -10.551 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -5.686 11.144 -10.726 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -5.835 10.763 -13.266 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -7.110 9.612 -12.920 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -8.471 11.323 -11.854 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -7.158 12.482 -11.916 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -7.214 12.349 -14.430 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -8.599 11.282 -14.313 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -9.279 13.561 -14.690 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -9.822 13.039 -13.169 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -8.480 14.073 -13.282 1.00 1.58 H new ATOM 991 N ILE A 70 -4.169 8.814 -8.948 1.00 1.07 N ATOM 992 CA ILE A 70 -3.375 8.962 -7.723 1.00 1.12 C ATOM 993 C ILE A 70 -2.022 8.263 -7.849 1.00 1.25 C ATOM 994 O ILE A 70 -1.062 8.629 -7.171 1.00 1.37 O ATOM 995 CB ILE A 70 -4.112 8.429 -6.470 1.00 1.09 C ATOM 996 CG1 ILE A 70 -4.474 6.951 -6.639 1.00 1.09 C ATOM 997 CG2 ILE A 70 -5.353 9.265 -6.191 1.00 1.14 C ATOM 998 CD1 ILE A 70 -5.277 6.378 -5.488 1.00 1.19 C ATOM 0 H ILE A 70 -4.944 8.154 -8.878 1.00 1.07 H new ATOM 0 HA ILE A 70 -3.219 10.033 -7.595 1.00 1.12 H new ATOM 0 HB ILE A 70 -3.443 8.513 -5.614 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -5.042 6.830 -7.561 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -3.557 6.373 -6.752 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -5.861 8.879 -5.307 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -5.062 10.301 -6.018 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -6.026 9.215 -7.047 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -5.494 5.328 -5.683 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -4.703 6.465 -4.565 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -6.212 6.929 -5.387 1.00 1.19 H new ATOM 1122 N LEU B 8 8.280 20.716 15.977 1.00 0.80 N ATOM 1123 CA LEU B 8 8.762 21.255 14.686 1.00 0.77 C ATOM 1124 C LEU B 8 10.241 21.681 14.807 1.00 0.77 C ATOM 1125 O LEU B 8 10.584 22.809 15.154 1.00 0.79 O ATOM 1126 CB LEU B 8 7.853 22.419 14.251 1.00 0.78 C ATOM 1127 CG LEU B 8 8.119 22.987 12.843 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.853 23.674 12.337 1.00 0.77 C ATOM 1129 CD2 LEU B 8 9.226 24.048 12.812 1.00 0.77 C ATOM 0 HA LEU B 8 8.714 20.485 13.916 1.00 0.77 H new ATOM 0 HB2 LEU B 8 6.817 22.083 14.297 1.00 0.78 H new ATOM 0 HB3 LEU B 8 7.958 23.228 14.974 1.00 0.78 H new ATOM 0 HG LEU B 8 8.425 22.141 12.228 1.00 0.76 H new ATOM 0 HD11 LEU B 8 7.032 24.079 11.341 1.00 0.77 H new ATOM 0 HD12 LEU B 8 6.039 22.950 12.293 1.00 0.77 H new ATOM 0 HD13 LEU B 8 6.583 24.484 13.015 1.00 0.77 H new ATOM 0 HD21 LEU B 8 9.360 24.404 11.791 1.00 0.77 H new ATOM 0 HD22 LEU B 8 8.947 24.884 13.454 1.00 0.77 H new ATOM 0 HD23 LEU B 8 10.159 23.611 13.169 1.00 0.77 H new ATOM 1141 N ARG B 9 11.087 20.666 14.742 1.00 0.75 N ATOM 1142 CA ARG B 9 12.545 20.866 14.842 1.00 0.75 C ATOM 1143 C ARG B 9 13.286 20.125 13.730 1.00 0.72 C ATOM 1144 O ARG B 9 13.884 20.744 12.853 1.00 0.71 O ATOM 1145 CB ARG B 9 13.074 20.534 16.249 1.00 0.79 C ATOM 1146 CG ARG B 9 12.780 19.102 16.712 1.00 0.79 C ATOM 1147 CD ARG B 9 13.504 18.766 18.011 1.00 0.82 C ATOM 1148 NE ARG B 9 13.258 17.355 18.354 1.00 0.82 N ATOM 1149 CZ ARG B 9 12.137 16.837 18.862 1.00 0.83 C ATOM 1150 NH1 ARG B 9 11.069 17.589 19.111 1.00 0.85 N ATOM 1151 NH2 ARG B 9 12.084 15.547 19.171 1.00 0.84 N ATOM 0 H ARG B 9 10.802 19.694 14.621 1.00 0.75 H new ATOM 0 HA ARG B 9 12.748 21.926 14.692 1.00 0.75 H new ATOM 0 HB2 ARG B 9 14.152 20.695 16.266 1.00 0.79 H new ATOM 0 HB3 ARG B 9 12.636 21.231 16.963 1.00 0.79 H new ATOM 0 HG2 ARG B 9 11.706 18.979 16.852 1.00 0.79 H new ATOM 0 HG3 ARG B 9 13.083 18.400 15.935 1.00 0.79 H new ATOM 0 HD2 ARG B 9 14.574 18.944 17.901 1.00 0.82 H new ATOM 0 HD3 ARG B 9 13.153 19.414 18.814 1.00 0.82 H new ATOM 0 HE ARG B 9 14.025 16.704 18.186 1.00 0.82 H new ATOM 0 HH11 ARG B 9 11.092 18.589 18.914 1.00 0.85 H new ATOM 0 HH12 ARG B 9 10.226 17.165 19.499 1.00 0.85 H new ATOM 0 HH21 ARG B 9 12.899 14.953 19.020 1.00 0.84 H new ATOM 0 HH22 ARG B 9 11.228 15.150 19.559 1.00 0.84 H new ATOM 1165 N GLU B 10 13.197 18.794 13.766 1.00 0.71 N ATOM 1166 CA GLU B 10 13.943 17.898 12.874 1.00 0.68 C ATOM 1167 C GLU B 10 13.182 16.588 12.673 1.00 0.66 C ATOM 1168 O GLU B 10 12.867 15.881 13.633 1.00 0.68 O ATOM 1169 CB GLU B 10 15.314 17.575 13.477 1.00 0.70 C ATOM 1170 CG GLU B 10 16.221 18.807 13.578 1.00 0.72 C ATOM 1171 CD GLU B 10 17.616 18.497 14.121 1.00 0.75 C ATOM 1172 OE1 GLU B 10 18.073 17.348 13.927 1.00 0.74 O ATOM 1173 OE2 GLU B 10 18.207 19.429 14.704 1.00 0.77 O ATOM 0 H GLU B 10 12.596 18.299 14.425 1.00 0.71 H new ATOM 0 HA GLU B 10 14.066 18.402 11.916 1.00 0.68 H new ATOM 0 HB2 GLU B 10 15.178 17.147 14.470 1.00 0.70 H new ATOM 0 HB3 GLU B 10 15.805 16.816 12.867 1.00 0.70 H new ATOM 0 HG2 GLU B 10 16.317 19.259 12.591 1.00 0.72 H new ATOM 0 HG3 GLU B 10 15.745 19.546 14.223 1.00 0.72 H new ATOM 1180 N LEU B 11 12.773 16.391 11.433 1.00 0.63 N ATOM 1181 CA LEU B 11 12.040 15.184 11.016 1.00 0.61 C ATOM 1182 C LEU B 11 12.741 14.525 9.827 1.00 0.58 C ATOM 1183 O LEU B 11 13.217 15.201 8.913 1.00 0.57 O ATOM 1184 CB LEU B 11 10.608 15.563 10.641 1.00 0.60 C ATOM 1185 CG LEU B 11 9.843 16.114 11.843 1.00 0.64 C ATOM 1186 CD1 LEU B 11 9.266 17.488 11.509 1.00 0.65 C ATOM 1187 CD2 LEU B 11 8.745 15.140 12.266 1.00 0.64 C ATOM 0 H LEU B 11 12.934 17.057 10.677 1.00 0.63 H new ATOM 0 HA LEU B 11 12.019 14.473 11.842 1.00 0.61 H new ATOM 0 HB2 LEU B 11 10.624 16.308 9.846 1.00 0.60 H new ATOM 0 HB3 LEU B 11 10.090 14.688 10.248 1.00 0.60 H new ATOM 0 HG LEU B 11 10.529 16.228 12.682 1.00 0.64 H new ATOM 0 HD11 LEU B 11 8.722 17.874 12.371 1.00 0.65 H new ATOM 0 HD12 LEU B 11 10.077 18.171 11.256 1.00 0.65 H new ATOM 0 HD13 LEU B 11 8.587 17.401 10.661 1.00 0.65 H new ATOM 0 HD21 LEU B 11 8.209 15.546 13.124 1.00 0.64 H new ATOM 0 HD22 LEU B 11 8.050 14.994 11.439 1.00 0.64 H new ATOM 0 HD23 LEU B 11 9.192 14.184 12.538 1.00 0.64 H new ATOM 1199 N ARG B 12 12.764 13.206 9.882 1.00 0.57 N ATOM 1200 CA ARG B 12 13.464 12.382 8.876 1.00 0.55 C ATOM 1201 C ARG B 12 12.420 11.727 7.979 1.00 0.52 C ATOM 1202 O ARG B 12 11.328 11.380 8.438 1.00 0.52 O ATOM 1203 CB ARG B 12 14.284 11.288 9.585 1.00 0.57 C ATOM 1204 CG ARG B 12 15.090 11.766 10.803 1.00 0.60 C ATOM 1205 CD ARG B 12 15.932 12.996 10.461 1.00 0.61 C ATOM 1206 NE ARG B 12 16.807 13.374 11.572 1.00 0.65 N ATOM 1207 CZ ARG B 12 18.115 13.183 11.509 1.00 0.67 C ATOM 1208 NH1 ARG B 12 18.636 11.993 11.778 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.912 14.210 11.270 1.00 0.68 N ATOM 0 H ARG B 12 12.305 12.665 10.615 1.00 0.57 H new ATOM 0 HA ARG B 12 14.134 13.005 8.284 1.00 0.55 H new ATOM 0 HB2 ARG B 12 13.606 10.497 9.905 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.972 10.846 8.864 1.00 0.57 H new ATOM 0 HG2 ARG B 12 14.411 12.003 11.622 1.00 0.60 H new ATOM 0 HG3 ARG B 12 15.740 10.963 11.151 1.00 0.60 H new ATOM 0 HD2 ARG B 12 16.534 12.791 9.576 1.00 0.61 H new ATOM 0 HD3 ARG B 12 15.275 13.830 10.214 1.00 0.61 H new ATOM 0 HE ARG B 12 16.401 13.792 12.409 1.00 0.65 H new ATOM 0 HH11 ARG B 12 18.027 11.216 12.036 1.00 0.68 H new ATOM 0 HH12 ARG B 12 19.645 11.855 11.727 1.00 0.68 H new ATOM 0 HH21 ARG B 12 18.518 15.141 11.136 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.921 14.071 11.220 1.00 0.68 H new ATOM 1223 N CYS B 13 12.769 11.551 6.709 1.00 0.50 N ATOM 1224 CA CYS B 13 11.920 10.794 5.770 1.00 0.48 C ATOM 1225 C CYS B 13 11.630 9.395 6.338 1.00 0.48 C ATOM 1226 O CYS B 13 12.429 8.845 7.097 1.00 0.49 O ATOM 1227 CB CYS B 13 12.641 10.664 4.430 1.00 0.47 C ATOM 1228 SG CYS B 13 12.634 12.187 3.415 1.00 0.48 S ATOM 0 H CYS B 13 13.628 11.917 6.299 1.00 0.50 H new ATOM 0 HA CYS B 13 10.977 11.323 5.629 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.674 10.370 4.615 1.00 0.47 H new ATOM 0 HB3 CYS B 13 12.178 9.859 3.859 1.00 0.47 H new ATOM 1233 N VAL B 14 10.476 8.845 5.966 1.00 0.46 N ATOM 1234 CA VAL B 14 10.091 7.478 6.399 1.00 0.46 C ATOM 1235 C VAL B 14 11.112 6.422 5.920 1.00 0.46 C ATOM 1236 O VAL B 14 11.331 5.399 6.561 1.00 0.47 O ATOM 1237 CB VAL B 14 8.632 7.148 6.005 1.00 0.45 C ATOM 1238 CG1 VAL B 14 8.361 7.066 4.499 1.00 0.43 C ATOM 1239 CG2 VAL B 14 8.143 5.855 6.660 1.00 0.46 C ATOM 0 H VAL B 14 9.789 9.309 5.372 1.00 0.46 H new ATOM 0 HA VAL B 14 10.120 7.448 7.488 1.00 0.46 H new ATOM 0 HB VAL B 14 8.073 8.005 6.380 1.00 0.45 H new ATOM 0 HG11 VAL B 14 7.310 6.830 4.331 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.597 8.023 4.034 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.983 6.286 4.059 1.00 0.43 H new ATOM 0 HG21 VAL B 14 7.114 5.660 6.357 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.777 5.026 6.346 1.00 0.46 H new ATOM 0 HG23 VAL B 14 8.189 5.956 7.744 1.00 0.46 H new ATOM 1249 N CYS B 15 11.712 6.715 4.770 1.00 0.45 N ATOM 1250 CA CYS B 15 12.734 5.882 4.120 1.00 0.45 C ATOM 1251 C CYS B 15 14.054 6.632 3.979 1.00 0.47 C ATOM 1252 O CYS B 15 14.167 7.564 3.181 1.00 0.47 O ATOM 1253 CB CYS B 15 12.270 5.487 2.722 1.00 0.43 C ATOM 1254 SG CYS B 15 10.962 4.229 2.745 1.00 0.42 S ATOM 0 H CYS B 15 11.498 7.563 4.244 1.00 0.45 H new ATOM 0 HA CYS B 15 12.881 5.001 4.745 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.907 6.373 2.201 1.00 0.43 H new ATOM 0 HB3 CYS B 15 13.121 5.110 2.155 1.00 0.43 H new ATOM 1259 N LEU B 16 14.993 6.270 4.842 1.00 0.49 N ATOM 1260 CA LEU B 16 16.361 6.819 4.772 1.00 0.52 C ATOM 1261 C LEU B 16 17.260 6.113 3.747 1.00 0.54 C ATOM 1262 O LEU B 16 18.107 6.740 3.103 1.00 0.55 O ATOM 1263 CB LEU B 16 17.010 6.822 6.159 1.00 0.55 C ATOM 1264 CG LEU B 16 16.308 7.771 7.142 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.965 7.662 8.519 1.00 0.58 C ATOM 1266 CD2 LEU B 16 16.345 9.229 6.662 1.00 0.54 C ATOM 0 H LEU B 16 14.845 5.603 5.599 1.00 0.49 H new ATOM 0 HA LEU B 16 16.259 7.845 4.419 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.995 5.810 6.564 1.00 0.55 H new ATOM 0 HB3 LEU B 16 18.056 7.112 6.065 1.00 0.55 H new ATOM 0 HG LEU B 16 15.262 7.472 7.202 1.00 0.55 H new ATOM 0 HD11 LEU B 16 16.465 8.336 9.215 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.881 6.638 8.882 1.00 0.58 H new ATOM 0 HD13 LEU B 16 18.018 7.934 8.442 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.837 9.864 7.388 1.00 0.54 H new ATOM 0 HD22 LEU B 16 17.381 9.552 6.559 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.843 9.307 5.698 1.00 0.54 H new ATOM 1278 N GLN B 17 17.040 4.826 3.586 1.00 0.53 N ATOM 1279 CA GLN B 17 17.792 3.952 2.679 1.00 0.55 C ATOM 1280 C GLN B 17 16.892 3.494 1.518 1.00 0.53 C ATOM 1281 O GLN B 17 15.711 3.827 1.443 1.00 0.50 O ATOM 1282 CB GLN B 17 18.380 2.753 3.449 1.00 0.58 C ATOM 1283 CG GLN B 17 17.364 1.713 3.957 1.00 0.56 C ATOM 1284 CD GLN B 17 16.461 2.185 5.107 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.571 3.241 5.707 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.523 1.350 5.470 1.00 0.54 N ATOM 0 H GLN B 17 16.309 4.331 4.096 1.00 0.53 H new ATOM 0 HA GLN B 17 18.626 4.511 2.256 1.00 0.55 H new ATOM 0 HB2 GLN B 17 19.096 2.246 2.801 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.938 3.134 4.304 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.732 1.409 3.122 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.908 0.827 4.284 1.00 0.56 H new ATOM 0 HE21 GLN B 17 15.414 0.461 4.981 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.900 1.587 6.242 1.00 0.54 H new ATOM 1295 N THR B 18 17.490 2.679 0.668 1.00 0.55 N ATOM 1296 CA THR B 18 16.813 2.093 -0.502 1.00 0.54 C ATOM 1297 C THR B 18 17.002 0.567 -0.549 1.00 0.55 C ATOM 1298 O THR B 18 17.594 -0.039 0.346 1.00 0.57 O ATOM 1299 CB THR B 18 17.333 2.813 -1.758 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.579 2.364 -2.880 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.835 2.616 -2.013 1.00 0.60 C ATOM 0 H THR B 18 18.466 2.396 0.760 1.00 0.55 H new ATOM 0 HA THR B 18 15.735 2.241 -0.440 1.00 0.54 H new ATOM 0 HB THR B 18 17.203 3.883 -1.597 1.00 0.56 H new ATOM 0 HG1 THR B 18 15.622 2.425 -2.677 1.00 0.55 H new ATOM 0 HG21 THR B 18 19.124 3.154 -2.916 1.00 0.60 H new ATOM 0 HG22 THR B 18 19.401 3.000 -1.164 1.00 0.60 H new ATOM 0 HG23 THR B 18 19.046 1.554 -2.140 1.00 0.60 H new ATOM 1309 N THR B 19 16.577 -0.033 -1.657 1.00 0.55 N ATOM 1310 CA THR B 19 16.647 -1.475 -1.937 1.00 0.57 C ATOM 1311 C THR B 19 16.591 -1.724 -3.455 1.00 0.58 C ATOM 1312 O THR B 19 16.021 -0.942 -4.224 1.00 0.57 O ATOM 1313 CB THR B 19 15.496 -2.207 -1.215 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.579 -1.963 0.196 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.498 -3.723 -1.421 1.00 0.56 C ATOM 0 H THR B 19 16.154 0.491 -2.423 1.00 0.55 H new ATOM 0 HA THR B 19 17.593 -1.868 -1.563 1.00 0.57 H new ATOM 0 HB THR B 19 14.578 -1.812 -1.650 1.00 0.54 H new ATOM 0 HG1 THR B 19 15.043 -1.175 0.424 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.659 -4.164 -0.883 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.405 -3.946 -2.484 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.432 -4.140 -1.044 1.00 0.56 H new ATOM 1323 N GLN B 20 17.203 -2.835 -3.836 1.00 0.61 N ATOM 1324 CA GLN B 20 17.256 -3.352 -5.205 1.00 0.64 C ATOM 1325 C GLN B 20 16.817 -4.817 -5.287 1.00 0.64 C ATOM 1326 O GLN B 20 17.596 -5.755 -5.445 1.00 0.68 O ATOM 1327 CB GLN B 20 18.643 -3.116 -5.839 1.00 0.68 C ATOM 1328 CG GLN B 20 19.838 -3.850 -5.219 1.00 0.72 C ATOM 1329 CD GLN B 20 20.187 -3.449 -3.783 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.786 -2.451 -3.203 1.00 0.68 O ATOM 1331 NE2 GLN B 20 21.031 -4.241 -3.173 1.00 0.73 N ATOM 0 H GLN B 20 17.700 -3.431 -3.174 1.00 0.61 H new ATOM 0 HA GLN B 20 16.534 -2.787 -5.795 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.584 -3.397 -6.891 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.851 -2.047 -5.806 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.634 -4.921 -5.239 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.712 -3.680 -5.848 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.376 -5.078 -3.643 1.00 0.73 H new ATOM 0 HE22 GLN B 20 21.344 -4.021 -2.228 1.00 0.73 H new ATOM 1340 N GLY B 21 15.504 -4.982 -5.118 1.00 0.61 N ATOM 1341 CA GLY B 21 14.913 -6.306 -5.287 1.00 0.61 C ATOM 1342 C GLY B 21 14.610 -6.586 -6.774 1.00 0.63 C ATOM 1343 O GLY B 21 14.762 -5.684 -7.591 1.00 0.64 O ATOM 0 H GLY B 21 14.849 -4.240 -4.872 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.594 -7.065 -4.901 1.00 0.61 H new ATOM 0 HA3 GLY B 21 13.994 -6.376 -4.705 1.00 0.61 H new ATOM 1347 N VAL B 22 14.017 -7.705 -7.178 1.00 0.64 N ATOM 1348 CA VAL B 22 13.359 -8.873 -6.519 1.00 0.63 C ATOM 1349 C VAL B 22 12.094 -9.184 -7.350 1.00 0.62 C ATOM 1350 O VAL B 22 11.853 -8.559 -8.377 1.00 0.63 O ATOM 1351 CB VAL B 22 13.020 -8.715 -5.007 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.872 -7.740 -4.696 1.00 0.56 C ATOM 1353 CG2 VAL B 22 12.872 -10.056 -4.279 1.00 0.61 C ATOM 0 H VAL B 22 13.971 -7.856 -8.186 1.00 0.64 H new ATOM 0 HA VAL B 22 14.076 -9.694 -6.509 1.00 0.63 H new ATOM 0 HB VAL B 22 13.904 -8.231 -4.592 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.712 -7.698 -3.619 1.00 0.56 H new ATOM 0 HG12 VAL B 22 12.129 -6.746 -5.063 1.00 0.56 H new ATOM 0 HG13 VAL B 22 10.961 -8.083 -5.185 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.636 -9.876 -3.230 1.00 0.61 H new ATOM 0 HG22 VAL B 22 12.069 -10.633 -4.738 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.806 -10.614 -4.351 1.00 0.61 H new ATOM 1363 N HIS B 23 11.256 -10.093 -6.866 1.00 0.61 N ATOM 1364 CA HIS B 23 9.974 -10.393 -7.508 1.00 0.61 C ATOM 1365 C HIS B 23 8.813 -10.055 -6.551 1.00 0.57 C ATOM 1366 O HIS B 23 8.917 -10.321 -5.346 1.00 0.56 O ATOM 1367 CB HIS B 23 9.963 -11.866 -7.931 1.00 0.64 C ATOM 1368 CG HIS B 23 8.785 -12.183 -8.857 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.531 -12.370 -8.460 1.00 0.63 N ATOM 1370 CD2 HIS B 23 8.821 -12.356 -10.175 1.00 0.67 C ATOM 1371 CE1 HIS B 23 6.791 -12.673 -9.524 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.592 -12.665 -10.584 1.00 0.68 N ATOM 0 H HIS B 23 11.440 -10.641 -6.025 1.00 0.61 H new ATOM 0 HA HIS B 23 9.843 -9.781 -8.400 1.00 0.61 H new ATOM 0 HB2 HIS B 23 10.898 -12.106 -8.437 1.00 0.64 H new ATOM 0 HB3 HIS B 23 9.909 -12.498 -7.045 1.00 0.64 H new ATOM 0 HD2 HIS B 23 9.694 -12.262 -10.804 1.00 0.67 H new ATOM 0 HE1 HIS B 23 5.732 -12.886 -9.525 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.314 -12.862 -11.545 1.00 0.68 H new ATOM 1380 N PRO B 24 7.701 -9.543 -7.110 1.00 0.57 N ATOM 1381 CA PRO B 24 6.442 -9.272 -6.386 1.00 0.55 C ATOM 1382 C PRO B 24 5.951 -10.472 -5.579 1.00 0.55 C ATOM 1383 O PRO B 24 5.188 -10.291 -4.641 1.00 0.53 O ATOM 1384 CB PRO B 24 5.396 -9.043 -7.469 1.00 0.56 C ATOM 1385 CG PRO B 24 6.199 -8.463 -8.621 1.00 0.58 C ATOM 1386 CD PRO B 24 7.548 -9.162 -8.529 1.00 0.59 C ATOM 0 HA PRO B 24 6.601 -8.439 -5.701 1.00 0.55 H new ATOM 0 HB2 PRO B 24 4.901 -9.972 -7.752 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.618 -8.356 -7.136 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.716 -8.655 -9.579 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.304 -7.382 -8.528 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.580 -10.039 -9.176 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.355 -8.501 -8.847 1.00 0.59 H new ATOM 1394 N LYS B 25 6.393 -11.673 -5.948 1.00 0.57 N ATOM 1395 CA LYS B 25 6.034 -12.935 -5.288 1.00 0.58 C ATOM 1396 C LYS B 25 6.260 -12.891 -3.766 1.00 0.56 C ATOM 1397 O LYS B 25 5.533 -13.523 -3.009 1.00 0.57 O ATOM 1398 CB LYS B 25 6.869 -14.059 -5.896 1.00 0.61 C ATOM 1399 CG LYS B 25 6.031 -15.330 -6.021 1.00 0.62 C ATOM 1400 CD LYS B 25 6.803 -16.492 -6.649 1.00 0.66 C ATOM 1401 CE LYS B 25 7.883 -17.036 -5.713 1.00 0.67 C ATOM 1402 NZ LYS B 25 7.768 -18.495 -5.617 1.00 0.69 N ATOM 0 H LYS B 25 7.028 -11.803 -6.735 1.00 0.57 H new ATOM 0 HA LYS B 25 4.970 -13.107 -5.448 1.00 0.58 H new ATOM 0 HB2 LYS B 25 7.237 -13.759 -6.877 1.00 0.61 H new ATOM 0 HB3 LYS B 25 7.743 -14.251 -5.273 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.679 -15.626 -5.033 1.00 0.62 H new ATOM 0 HG3 LYS B 25 5.148 -15.119 -6.624 1.00 0.62 H new ATOM 0 HD2 LYS B 25 6.109 -17.292 -6.905 1.00 0.66 H new ATOM 0 HD3 LYS B 25 7.264 -16.160 -7.580 1.00 0.66 H new ATOM 0 HE2 LYS B 25 8.871 -16.764 -6.085 1.00 0.67 H new ATOM 0 HE3 LYS B 25 7.780 -16.588 -4.725 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.504 -18.860 -4.980 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 6.831 -18.745 -5.243 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 7.887 -18.915 -6.561 1.00 0.69 H new ATOM 1416 N MET B 26 7.230 -12.074 -3.352 1.00 0.55 N ATOM 1417 CA MET B 26 7.533 -11.832 -1.929 1.00 0.55 C ATOM 1418 C MET B 26 6.712 -10.685 -1.314 1.00 0.52 C ATOM 1419 O MET B 26 6.598 -10.568 -0.090 1.00 0.52 O ATOM 1420 CB MET B 26 9.035 -11.585 -1.754 1.00 0.57 C ATOM 1421 CG MET B 26 9.825 -12.889 -1.574 1.00 0.64 C ATOM 1422 SD MET B 26 9.951 -13.466 0.161 1.00 0.75 S ATOM 1423 CE MET B 26 8.304 -14.074 0.468 1.00 0.95 C ATOM 0 H MET B 26 7.833 -11.557 -3.992 1.00 0.55 H new ATOM 0 HA MET B 26 7.241 -12.730 -1.384 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.416 -11.049 -2.623 1.00 0.57 H new ATOM 0 HB3 MET B 26 9.197 -10.943 -0.888 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.354 -13.670 -2.170 1.00 0.64 H new ATOM 0 HG3 MET B 26 10.830 -12.748 -1.971 1.00 0.64 H new ATOM 0 HE1 MET B 26 8.318 -14.744 1.328 1.00 0.95 H new ATOM 0 HE2 MET B 26 7.639 -13.235 0.672 1.00 0.95 H new ATOM 0 HE3 MET B 26 7.947 -14.615 -0.408 1.00 0.95 H new ATOM 1433 N ILE B 27 6.149 -9.829 -2.162 1.00 0.50 N ATOM 1434 CA ILE B 27 5.365 -8.680 -1.697 1.00 0.48 C ATOM 1435 C ILE B 27 3.859 -8.966 -1.754 1.00 0.49 C ATOM 1436 O ILE B 27 3.400 -9.752 -2.581 1.00 0.56 O ATOM 1437 CB ILE B 27 5.671 -7.420 -2.546 1.00 0.52 C ATOM 1438 CG1 ILE B 27 7.178 -7.302 -2.820 1.00 0.56 C ATOM 1439 CG2 ILE B 27 5.159 -6.163 -1.854 1.00 0.53 C ATOM 1440 CD1 ILE B 27 8.021 -7.109 -1.574 1.00 0.58 C ATOM 0 H ILE B 27 6.219 -9.906 -3.177 1.00 0.50 H new ATOM 0 HA ILE B 27 5.652 -8.500 -0.661 1.00 0.48 H new ATOM 0 HB ILE B 27 5.153 -7.523 -3.500 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.514 -8.201 -3.337 1.00 0.56 H new ATOM 0 HG13 ILE B 27 7.349 -6.463 -3.495 1.00 0.56 H new ATOM 0 HG21 ILE B 27 5.385 -5.292 -2.468 1.00 0.53 H new ATOM 0 HG22 ILE B 27 4.081 -6.238 -1.714 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.644 -6.059 -0.884 1.00 0.53 H new ATOM 0 HD11 ILE B 27 9.072 -7.035 -1.854 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.715 -6.194 -1.066 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.883 -7.959 -0.906 1.00 0.58 H new ATOM 1452 N SER B 28 3.094 -8.325 -0.865 1.00 0.47 N ATOM 1453 CA SER B 28 1.645 -8.508 -0.820 1.00 0.54 C ATOM 1454 C SER B 28 0.933 -7.211 -0.421 1.00 0.55 C ATOM 1455 O SER B 28 -0.290 -7.112 -0.519 1.00 0.70 O ATOM 1456 CB SER B 28 1.279 -9.627 0.160 1.00 0.61 C ATOM 1457 OG SER B 28 1.839 -10.866 -0.240 1.00 0.68 O ATOM 0 H SER B 28 3.457 -7.675 -0.168 1.00 0.47 H new ATOM 0 HA SER B 28 1.313 -8.786 -1.821 1.00 0.54 H new ATOM 0 HB2 SER B 28 1.635 -9.370 1.158 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.195 -9.719 0.222 1.00 0.61 H new ATOM 0 HG SER B 28 1.190 -11.584 -0.084 1.00 0.68 H new ATOM 1463 N ASN B 29 1.702 -6.216 0.026 1.00 0.49 N ATOM 1464 CA ASN B 29 1.138 -4.930 0.442 1.00 0.50 C ATOM 1465 C ASN B 29 2.005 -3.768 -0.048 1.00 0.49 C ATOM 1466 O ASN B 29 3.231 -3.808 0.061 1.00 0.49 O ATOM 1467 CB ASN B 29 1.018 -4.883 1.972 1.00 0.54 C ATOM 1468 CG ASN B 29 0.425 -3.582 2.486 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.439 -2.978 1.851 1.00 0.67 O ATOM 1470 ND2 ASN B 29 0.893 -3.141 3.649 1.00 0.83 N ATOM 0 H ASN B 29 2.717 -6.276 0.109 1.00 0.49 H new ATOM 0 HA ASN B 29 0.148 -4.830 -0.003 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.398 -5.715 2.307 1.00 0.54 H new ATOM 0 HB3 ASN B 29 2.005 -5.024 2.412 1.00 0.54 H new ATOM 0 HD21 ASN B 29 0.535 -2.272 4.046 1.00 0.83 H new ATOM 0 HD22 ASN B 29 1.610 -3.671 4.144 1.00 0.83 H new ATOM 1477 N LEU B 30 1.357 -2.734 -0.586 1.00 0.53 N ATOM 1478 CA LEU B 30 2.062 -1.558 -1.087 1.00 0.55 C ATOM 1479 C LEU B 30 1.505 -0.282 -0.460 1.00 0.56 C ATOM 1480 O LEU B 30 0.353 0.082 -0.686 1.00 0.75 O ATOM 1481 CB LEU B 30 1.959 -1.476 -2.614 1.00 0.60 C ATOM 1482 CG LEU B 30 2.750 -0.334 -3.259 1.00 0.69 C ATOM 1483 CD1 LEU B 30 4.245 -0.572 -3.119 1.00 0.74 C ATOM 1484 CD2 LEU B 30 2.370 -0.177 -4.723 1.00 0.75 C ATOM 0 H LEU B 30 0.343 -2.689 -0.685 1.00 0.53 H new ATOM 0 HA LEU B 30 3.112 -1.654 -0.809 1.00 0.55 H new ATOM 0 HB2 LEU B 30 2.303 -2.420 -3.037 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.909 -1.369 -2.886 1.00 0.60 H new ATOM 0 HG LEU B 30 2.499 0.590 -2.739 1.00 0.69 H new ATOM 0 HD11 LEU B 30 4.789 0.250 -3.583 1.00 0.74 H new ATOM 0 HD12 LEU B 30 4.507 -0.630 -2.062 1.00 0.74 H new ATOM 0 HD13 LEU B 30 4.512 -1.507 -3.611 1.00 0.74 H new ATOM 0 HD21 LEU B 30 2.943 0.639 -5.162 1.00 0.75 H new ATOM 0 HD22 LEU B 30 2.588 -1.102 -5.257 1.00 0.75 H new ATOM 0 HD23 LEU B 30 1.306 0.044 -4.801 1.00 0.75 H new ATOM 1496 N GLN B 31 2.335 0.398 0.326 1.00 0.50 N ATOM 1497 CA GLN B 31 1.931 1.637 0.982 1.00 0.50 C ATOM 1498 C GLN B 31 2.569 2.846 0.303 1.00 0.51 C ATOM 1499 O GLN B 31 3.792 2.989 0.282 1.00 0.60 O ATOM 1500 CB GLN B 31 2.309 1.604 2.464 1.00 0.53 C ATOM 1501 CG GLN B 31 1.539 0.569 3.271 1.00 0.57 C ATOM 1502 CD GLN B 31 2.066 0.415 4.686 1.00 0.75 C ATOM 1503 OE1 GLN B 31 2.947 -0.403 4.947 1.00 1.08 O ATOM 1504 NE2 GLN B 31 1.523 1.200 5.609 1.00 1.01 N ATOM 0 H GLN B 31 3.293 0.111 0.524 1.00 0.50 H new ATOM 0 HA GLN B 31 0.848 1.727 0.897 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.376 1.400 2.553 1.00 0.53 H new ATOM 0 HB3 GLN B 31 2.136 2.590 2.896 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.487 0.853 3.309 1.00 0.57 H new ATOM 0 HG3 GLN B 31 1.591 -0.394 2.762 1.00 0.57 H new ATOM 0 HE21 GLN B 31 0.795 1.865 5.349 1.00 1.01 H new ATOM 0 HE22 GLN B 31 1.834 1.138 6.578 1.00 1.01 H new ATOM 1513 N VAL B 32 1.727 3.710 -0.255 1.00 0.49 N ATOM 1514 CA VAL B 32 2.190 4.913 -0.943 1.00 0.51 C ATOM 1515 C VAL B 32 1.893 6.159 -0.114 1.00 0.49 C ATOM 1516 O VAL B 32 0.747 6.413 0.252 1.00 0.61 O ATOM 1517 CB VAL B 32 1.528 5.062 -2.333 1.00 0.56 C ATOM 1518 CG1 VAL B 32 2.194 6.175 -3.133 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.573 3.748 -3.100 1.00 0.59 C ATOM 0 H VAL B 32 0.713 3.599 -0.244 1.00 0.49 H new ATOM 0 HA VAL B 32 3.267 4.810 -1.075 1.00 0.51 H new ATOM 0 HB VAL B 32 0.482 5.330 -2.181 1.00 0.56 H new ATOM 0 HG11 VAL B 32 1.712 6.262 -4.107 1.00 0.61 H new ATOM 0 HG12 VAL B 32 2.097 7.118 -2.595 1.00 0.61 H new ATOM 0 HG13 VAL B 32 3.250 5.943 -3.270 1.00 0.61 H new ATOM 0 HG21 VAL B 32 1.101 3.879 -4.074 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.610 3.442 -3.237 1.00 0.59 H new ATOM 0 HG23 VAL B 32 1.040 2.981 -2.539 1.00 0.59 H new ATOM 1529 N PHE B 33 2.934 6.934 0.177 1.00 0.48 N ATOM 1530 CA PHE B 33 2.799 8.154 0.964 1.00 0.48 C ATOM 1531 C PHE B 33 3.145 9.379 0.119 1.00 0.50 C ATOM 1532 O PHE B 33 4.115 9.363 -0.637 1.00 0.56 O ATOM 1533 CB PHE B 33 3.716 8.098 2.191 1.00 0.53 C ATOM 1534 CG PHE B 33 3.214 7.200 3.290 1.00 0.57 C ATOM 1535 CD1 PHE B 33 3.512 5.845 3.295 1.00 0.65 C ATOM 1536 CD2 PHE B 33 2.453 7.719 4.325 1.00 0.70 C ATOM 1537 CE1 PHE B 33 3.053 5.026 4.311 1.00 0.78 C ATOM 1538 CE2 PHE B 33 1.992 6.903 5.341 1.00 0.85 C ATOM 1539 CZ PHE B 33 2.293 5.557 5.335 1.00 0.86 C ATOM 0 H PHE B 33 3.888 6.735 -0.124 1.00 0.48 H new ATOM 0 HA PHE B 33 1.763 8.235 1.294 1.00 0.48 H new ATOM 0 HB2 PHE B 33 4.703 7.756 1.879 1.00 0.53 H new ATOM 0 HB3 PHE B 33 3.838 9.106 2.587 1.00 0.53 H new ATOM 0 HD1 PHE B 33 4.108 5.426 2.498 1.00 0.65 H new ATOM 0 HD2 PHE B 33 2.217 8.773 4.338 1.00 0.70 H new ATOM 0 HE1 PHE B 33 3.289 3.972 4.304 1.00 0.78 H new ATOM 0 HE2 PHE B 33 1.396 7.319 6.140 1.00 0.85 H new ATOM 0 HZ PHE B 33 1.935 4.919 6.130 1.00 0.86 H new ATOM 1549 N ALA B 34 2.345 10.439 0.246 1.00 0.50 N ATOM 1550 CA ALA B 34 2.583 11.666 -0.514 1.00 0.55 C ATOM 1551 C ALA B 34 3.484 12.644 0.252 1.00 0.54 C ATOM 1552 O ALA B 34 4.357 12.231 1.018 1.00 0.58 O ATOM 1553 CB ALA B 34 1.260 12.327 -0.877 1.00 0.61 C ATOM 0 H ALA B 34 1.533 10.473 0.863 1.00 0.50 H new ATOM 0 HA ALA B 34 3.105 11.393 -1.431 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.452 13.239 -1.442 1.00 0.61 H new ATOM 0 HB2 ALA B 34 0.666 11.643 -1.483 1.00 0.61 H new ATOM 0 HB3 ALA B 34 0.714 12.573 0.034 1.00 0.61 H new ATOM 1559 N ILE B 35 3.266 13.939 0.023 1.00 0.60 N ATOM 1560 CA ILE B 35 4.048 14.995 0.667 1.00 0.63 C ATOM 1561 C ILE B 35 3.717 15.112 2.159 1.00 0.59 C ATOM 1562 O ILE B 35 2.549 15.194 2.543 1.00 0.63 O ATOM 1563 CB ILE B 35 3.787 16.356 -0.017 1.00 0.75 C ATOM 1564 CG1 ILE B 35 3.978 16.238 -1.533 1.00 0.90 C ATOM 1565 CG2 ILE B 35 4.705 17.430 0.550 1.00 0.77 C ATOM 1566 CD1 ILE B 35 3.433 17.420 -2.308 1.00 1.10 C ATOM 0 H ILE B 35 2.546 14.285 -0.611 1.00 0.60 H new ATOM 0 HA ILE B 35 5.099 14.726 0.563 1.00 0.63 H new ATOM 0 HB ILE B 35 2.756 16.646 0.183 1.00 0.75 H new ATOM 0 HG12 ILE B 35 5.041 16.132 -1.749 1.00 0.90 H new ATOM 0 HG13 ILE B 35 3.489 15.329 -1.882 1.00 0.90 H new ATOM 0 HG21 ILE B 35 4.504 18.380 0.054 1.00 0.77 H new ATOM 0 HG22 ILE B 35 4.525 17.534 1.620 1.00 0.77 H new ATOM 0 HG23 ILE B 35 5.744 17.146 0.382 1.00 0.77 H new ATOM 0 HD11 ILE B 35 3.604 17.266 -3.374 1.00 1.10 H new ATOM 0 HD12 ILE B 35 2.363 17.515 -2.122 1.00 1.10 H new ATOM 0 HD13 ILE B 35 3.939 18.330 -1.987 1.00 1.10 H new ATOM 1578 N GLY B 36 4.758 15.122 2.994 1.00 0.58 N ATOM 1579 CA GLY B 36 4.567 15.234 4.431 1.00 0.59 C ATOM 1580 C GLY B 36 5.516 16.232 5.073 1.00 0.63 C ATOM 1581 O GLY B 36 6.337 16.840 4.383 1.00 0.63 O ATOM 0 H GLY B 36 5.732 15.054 2.698 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.539 15.534 4.634 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.710 14.256 4.890 1.00 0.59 H new ATOM 1585 N PRO B 37 5.423 16.423 6.406 1.00 0.67 N ATOM 1586 CA PRO B 37 6.280 17.358 7.152 1.00 0.73 C ATOM 1587 C PRO B 37 7.697 16.822 7.356 1.00 0.71 C ATOM 1588 O PRO B 37 8.602 17.559 7.748 1.00 0.77 O ATOM 1589 CB PRO B 37 5.567 17.497 8.511 1.00 0.79 C ATOM 1590 CG PRO B 37 4.263 16.779 8.371 1.00 0.77 C ATOM 1591 CD PRO B 37 4.468 15.755 7.297 1.00 0.69 C ATOM 0 HA PRO B 37 6.404 18.300 6.618 1.00 0.73 H new ATOM 0 HB2 PRO B 37 6.166 17.064 9.312 1.00 0.79 H new ATOM 0 HB3 PRO B 37 5.409 18.546 8.763 1.00 0.79 H new ATOM 0 HG2 PRO B 37 3.975 16.307 9.310 1.00 0.77 H new ATOM 0 HG3 PRO B 37 3.464 17.470 8.103 1.00 0.77 H new ATOM 0 HD2 PRO B 37 4.867 14.822 7.695 1.00 0.69 H new ATOM 0 HD3 PRO B 37 3.537 15.510 6.785 1.00 0.69 H new ATOM 1599 N GLN B 38 7.878 15.535 7.086 1.00 0.65 N ATOM 1600 CA GLN B 38 9.185 14.880 7.243 1.00 0.65 C ATOM 1601 C GLN B 38 9.872 14.576 5.902 1.00 0.61 C ATOM 1602 O GLN B 38 11.076 14.336 5.852 1.00 0.63 O ATOM 1603 CB GLN B 38 9.003 13.595 8.064 1.00 0.65 C ATOM 1604 CG GLN B 38 8.108 12.546 7.397 1.00 0.59 C ATOM 1605 CD GLN B 38 7.984 11.310 8.283 1.00 0.63 C ATOM 1606 OE1 GLN B 38 7.483 11.343 9.393 1.00 0.71 O ATOM 1607 NE2 GLN B 38 8.395 10.185 7.753 1.00 0.61 N ATOM 0 H GLN B 38 7.137 14.916 6.756 1.00 0.65 H new ATOM 0 HA GLN B 38 9.844 15.573 7.766 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.982 13.155 8.251 1.00 0.65 H new ATOM 0 HB3 GLN B 38 8.579 13.854 9.034 1.00 0.65 H new ATOM 0 HG2 GLN B 38 7.120 12.968 7.210 1.00 0.59 H new ATOM 0 HG3 GLN B 38 8.524 12.267 6.429 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.811 10.182 6.822 1.00 0.61 H new ATOM 0 HE22 GLN B 38 8.299 9.312 8.271 1.00 0.61 H new ATOM 1616 N CYS B 39 9.080 14.526 4.835 1.00 0.56 N ATOM 1617 CA CYS B 39 9.602 14.203 3.513 1.00 0.54 C ATOM 1618 C CYS B 39 8.743 14.830 2.419 1.00 0.59 C ATOM 1619 O CYS B 39 7.573 14.484 2.264 1.00 0.67 O ATOM 1620 CB CYS B 39 9.628 12.679 3.344 1.00 0.48 C ATOM 1621 SG CYS B 39 10.961 12.053 2.268 1.00 0.47 S ATOM 0 H CYS B 39 8.076 14.705 4.861 1.00 0.56 H new ATOM 0 HA CYS B 39 10.611 14.606 3.424 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.728 12.220 4.328 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.670 12.356 2.937 1.00 0.48 H new ATOM 1626 N SER B 40 9.332 15.756 1.664 1.00 0.64 N ATOM 1627 CA SER B 40 8.618 16.424 0.580 1.00 0.73 C ATOM 1628 C SER B 40 8.502 15.507 -0.637 1.00 0.72 C ATOM 1629 O SER B 40 7.576 15.636 -1.437 1.00 1.00 O ATOM 1630 CB SER B 40 9.331 17.722 0.193 1.00 0.87 C ATOM 1631 OG SER B 40 8.575 18.460 -0.752 1.00 1.01 O ATOM 0 H SER B 40 10.299 16.059 1.783 1.00 0.64 H new ATOM 0 HA SER B 40 7.614 16.663 0.930 1.00 0.73 H new ATOM 0 HB2 SER B 40 9.497 18.328 1.083 1.00 0.87 H new ATOM 0 HB3 SER B 40 10.312 17.491 -0.223 1.00 0.87 H new ATOM 0 HG SER B 40 9.052 19.285 -0.981 1.00 1.01 H new ATOM 1637 N LYS B 41 9.448 14.579 -0.762 1.00 0.66 N ATOM 1638 CA LYS B 41 9.461 13.630 -1.871 1.00 0.64 C ATOM 1639 C LYS B 41 8.578 12.428 -1.551 1.00 0.61 C ATOM 1640 O LYS B 41 8.472 12.019 -0.393 1.00 0.61 O ATOM 1641 CB LYS B 41 10.893 13.159 -2.144 1.00 0.64 C ATOM 1642 CG LYS B 41 11.050 12.378 -3.442 1.00 0.71 C ATOM 1643 CD LYS B 41 12.268 11.467 -3.397 1.00 0.81 C ATOM 1644 CE LYS B 41 12.518 10.803 -4.742 1.00 0.97 C ATOM 1645 NZ LYS B 41 13.599 9.782 -4.667 1.00 1.16 N ATOM 0 H LYS B 41 10.219 14.464 -0.105 1.00 0.66 H new ATOM 0 HA LYS B 41 9.072 14.129 -2.758 1.00 0.64 H new ATOM 0 HB2 LYS B 41 11.551 14.027 -2.172 1.00 0.64 H new ATOM 0 HB3 LYS B 41 11.224 12.535 -1.314 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.155 11.783 -3.621 1.00 0.71 H new ATOM 0 HG3 LYS B 41 11.143 13.072 -4.277 1.00 0.71 H new ATOM 0 HD2 LYS B 41 13.145 12.045 -3.107 1.00 0.81 H new ATOM 0 HD3 LYS B 41 12.124 10.702 -2.634 1.00 0.81 H new ATOM 0 HE2 LYS B 41 11.599 10.333 -5.091 1.00 0.97 H new ATOM 0 HE3 LYS B 41 12.786 11.562 -5.477 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 13.738 9.354 -5.604 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 14.483 10.235 -4.359 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 13.332 9.044 -3.985 1.00 1.16 H new ATOM 1659 N VAL B 42 7.944 11.867 -2.576 1.00 0.61 N ATOM 1660 CA VAL B 42 7.085 10.707 -2.390 1.00 0.62 C ATOM 1661 C VAL B 42 7.909 9.423 -2.312 1.00 0.60 C ATOM 1662 O VAL B 42 8.807 9.190 -3.124 1.00 0.68 O ATOM 1663 CB VAL B 42 6.024 10.591 -3.507 1.00 0.68 C ATOM 1664 CG1 VAL B 42 5.066 11.769 -3.446 1.00 0.72 C ATOM 1665 CG2 VAL B 42 6.676 10.505 -4.882 1.00 0.78 C ATOM 0 H VAL B 42 8.009 12.196 -3.539 1.00 0.61 H new ATOM 0 HA VAL B 42 6.561 10.847 -1.444 1.00 0.62 H new ATOM 0 HB VAL B 42 5.463 9.671 -3.346 1.00 0.68 H new ATOM 0 HG11 VAL B 42 4.323 11.675 -4.238 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.565 11.781 -2.478 1.00 0.72 H new ATOM 0 HG13 VAL B 42 5.622 12.697 -3.578 1.00 0.72 H new ATOM 0 HG21 VAL B 42 5.903 10.424 -5.647 1.00 0.78 H new ATOM 0 HG22 VAL B 42 7.270 11.401 -5.060 1.00 0.78 H new ATOM 0 HG23 VAL B 42 7.321 9.628 -4.924 1.00 0.78 H new ATOM 1675 N GLU B 43 7.616 8.600 -1.308 1.00 0.56 N ATOM 1676 CA GLU B 43 8.329 7.341 -1.114 1.00 0.54 C ATOM 1677 C GLU B 43 7.357 6.169 -1.060 1.00 0.53 C ATOM 1678 O GLU B 43 6.293 6.262 -0.444 1.00 0.57 O ATOM 1679 CB GLU B 43 9.157 7.398 0.170 1.00 0.54 C ATOM 1680 CG GLU B 43 10.058 8.618 0.253 1.00 0.61 C ATOM 1681 CD GLU B 43 10.970 8.595 1.461 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.468 8.778 2.589 1.00 0.80 O ATOM 1683 OE2 GLU B 43 12.189 8.402 1.278 1.00 0.77 O ATOM 0 H GLU B 43 6.889 8.783 -0.616 1.00 0.56 H new ATOM 0 HA GLU B 43 8.997 7.192 -1.962 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.484 7.393 1.028 1.00 0.54 H new ATOM 0 HB3 GLU B 43 9.769 6.498 0.239 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.663 8.679 -0.652 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.442 9.517 0.286 1.00 0.61 H new ATOM 1690 N VAL B 44 7.723 5.065 -1.709 1.00 0.51 N ATOM 1691 CA VAL B 44 6.873 3.881 -1.735 1.00 0.51 C ATOM 1692 C VAL B 44 7.439 2.753 -0.876 1.00 0.49 C ATOM 1693 O VAL B 44 8.474 2.166 -1.193 1.00 0.53 O ATOM 1694 CB VAL B 44 6.647 3.360 -3.173 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.579 4.181 -3.876 1.00 0.60 C ATOM 1696 CG2 VAL B 44 7.943 3.375 -3.974 1.00 0.59 C ATOM 0 H VAL B 44 8.600 4.968 -2.221 1.00 0.51 H new ATOM 0 HA VAL B 44 5.915 4.194 -1.320 1.00 0.51 H new ATOM 0 HB VAL B 44 6.305 2.327 -3.105 1.00 0.55 H new ATOM 0 HG11 VAL B 44 5.434 3.800 -4.887 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.642 4.110 -3.323 1.00 0.60 H new ATOM 0 HG13 VAL B 44 5.894 5.223 -3.923 1.00 0.60 H new ATOM 0 HG21 VAL B 44 7.753 3.003 -4.981 1.00 0.59 H new ATOM 0 HG22 VAL B 44 8.325 4.395 -4.030 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.680 2.738 -3.485 1.00 0.59 H new ATOM 1706 N VAL B 45 6.752 2.466 0.225 1.00 0.47 N ATOM 1707 CA VAL B 45 7.166 1.385 1.142 1.00 0.46 C ATOM 1708 C VAL B 45 6.324 0.111 0.903 1.00 0.48 C ATOM 1709 O VAL B 45 5.223 0.140 0.350 1.00 0.51 O ATOM 1710 CB VAL B 45 7.175 1.829 2.624 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.576 3.281 2.788 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.831 1.866 3.310 1.00 0.62 C ATOM 0 H VAL B 45 5.907 2.960 0.512 1.00 0.47 H new ATOM 0 HA VAL B 45 8.202 1.139 0.911 1.00 0.46 H new ATOM 0 HB VAL B 45 7.850 1.085 3.047 1.00 0.46 H new ATOM 0 HG11 VAL B 45 7.567 3.544 3.846 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.578 3.429 2.386 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.872 3.916 2.250 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.958 2.191 4.343 1.00 0.62 H new ATOM 0 HG22 VAL B 45 5.175 2.564 2.789 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.387 0.871 3.295 1.00 0.62 H new ATOM 1722 N ALA B 46 6.937 -1.027 1.170 1.00 0.48 N ATOM 1723 CA ALA B 46 6.283 -2.340 1.001 1.00 0.51 C ATOM 1724 C ALA B 46 6.651 -3.292 2.143 1.00 0.51 C ATOM 1725 O ALA B 46 7.696 -3.140 2.783 1.00 0.50 O ATOM 1726 CB ALA B 46 6.682 -2.951 -0.346 1.00 0.55 C ATOM 0 H ALA B 46 7.897 -1.083 1.509 1.00 0.48 H new ATOM 0 HA ALA B 46 5.204 -2.190 1.023 1.00 0.51 H new ATOM 0 HB1 ALA B 46 6.196 -3.920 -0.464 1.00 0.55 H new ATOM 0 HB2 ALA B 46 6.371 -2.288 -1.153 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.764 -3.081 -0.380 1.00 0.55 H new ATOM 1732 N SER B 47 5.754 -4.232 2.401 1.00 0.54 N ATOM 1733 CA SER B 47 5.963 -5.278 3.417 1.00 0.57 C ATOM 1734 C SER B 47 5.821 -6.667 2.793 1.00 0.60 C ATOM 1735 O SER B 47 4.871 -6.960 2.056 1.00 0.63 O ATOM 1736 CB SER B 47 4.964 -5.152 4.568 1.00 0.60 C ATOM 1737 OG SER B 47 5.021 -3.834 5.120 1.00 0.58 O ATOM 0 H SER B 47 4.858 -4.300 1.918 1.00 0.54 H new ATOM 0 HA SER B 47 6.972 -5.146 3.809 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.956 -5.363 4.211 1.00 0.60 H new ATOM 0 HB3 SER B 47 5.190 -5.889 5.339 1.00 0.60 H new ATOM 0 HG SER B 47 4.378 -3.759 5.855 1.00 0.58 H new ATOM 1743 N LEU B 48 6.782 -7.530 3.114 1.00 0.62 N ATOM 1744 CA LEU B 48 6.803 -8.899 2.616 1.00 0.67 C ATOM 1745 C LEU B 48 5.785 -9.764 3.355 1.00 0.71 C ATOM 1746 O LEU B 48 5.185 -9.330 4.340 1.00 0.70 O ATOM 1747 CB LEU B 48 8.205 -9.503 2.780 1.00 0.68 C ATOM 1748 CG LEU B 48 9.270 -8.983 1.805 1.00 0.70 C ATOM 1749 CD1 LEU B 48 9.814 -7.635 2.257 1.00 0.70 C ATOM 1750 CD2 LEU B 48 10.400 -9.994 1.674 1.00 0.75 C ATOM 0 H LEU B 48 7.565 -7.299 3.725 1.00 0.62 H new ATOM 0 HA LEU B 48 6.540 -8.876 1.558 1.00 0.67 H new ATOM 0 HB2 LEU B 48 8.546 -9.313 3.798 1.00 0.68 H new ATOM 0 HB3 LEU B 48 8.131 -10.584 2.666 1.00 0.68 H new ATOM 0 HG LEU B 48 8.802 -8.847 0.830 1.00 0.70 H new ATOM 0 HD11 LEU B 48 10.567 -7.290 1.548 1.00 0.70 H new ATOM 0 HD12 LEU B 48 9.000 -6.911 2.303 1.00 0.70 H new ATOM 0 HD13 LEU B 48 10.265 -7.737 3.244 1.00 0.70 H new ATOM 0 HD21 LEU B 48 11.149 -9.614 0.980 1.00 0.75 H new ATOM 0 HD22 LEU B 48 10.858 -10.156 2.650 1.00 0.75 H new ATOM 0 HD23 LEU B 48 10.003 -10.937 1.299 1.00 0.75 H new ATOM 1762 N LYS B 49 5.603 -10.994 2.879 1.00 0.76 N ATOM 1763 CA LYS B 49 4.662 -11.924 3.496 1.00 0.82 C ATOM 1764 C LYS B 49 5.260 -12.545 4.761 1.00 0.84 C ATOM 1765 O LYS B 49 4.565 -13.215 5.527 1.00 0.89 O ATOM 1766 CB LYS B 49 4.276 -13.021 2.496 1.00 0.89 C ATOM 1767 CG LYS B 49 3.016 -13.787 2.873 1.00 0.98 C ATOM 1768 CD LYS B 49 1.787 -12.890 2.852 1.00 1.05 C ATOM 1769 CE LYS B 49 0.528 -13.658 3.220 1.00 1.23 C ATOM 1770 NZ LYS B 49 0.601 -14.218 4.599 1.00 1.27 N ATOM 0 H LYS B 49 6.095 -11.369 2.068 1.00 0.76 H new ATOM 0 HA LYS B 49 3.767 -11.371 3.780 1.00 0.82 H new ATOM 0 HB2 LYS B 49 4.134 -12.570 1.514 1.00 0.89 H new ATOM 0 HB3 LYS B 49 5.104 -13.725 2.407 1.00 0.89 H new ATOM 0 HG2 LYS B 49 2.873 -14.617 2.181 1.00 0.98 H new ATOM 0 HG3 LYS B 49 3.135 -14.218 3.867 1.00 0.98 H new ATOM 0 HD2 LYS B 49 1.927 -12.064 3.549 1.00 1.05 H new ATOM 0 HD3 LYS B 49 1.671 -12.454 1.860 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -0.336 -12.998 3.142 1.00 1.23 H new ATOM 0 HE3 LYS B 49 0.376 -14.468 2.507 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 -0.354 -14.255 5.009 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 1.000 -15.178 4.563 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 1.208 -13.612 5.188 1.00 1.27 H new ATOM 1784 N ASN B 50 6.551 -12.306 4.976 1.00 0.81 N ATOM 1785 CA ASN B 50 7.251 -12.831 6.145 1.00 0.84 C ATOM 1786 C ASN B 50 7.125 -11.877 7.333 1.00 0.80 C ATOM 1787 O ASN B 50 7.524 -12.207 8.450 1.00 0.97 O ATOM 1788 CB ASN B 50 8.733 -13.051 5.822 1.00 0.86 C ATOM 1789 CG ASN B 50 8.946 -13.994 4.653 1.00 0.94 C ATOM 1790 OD1 ASN B 50 8.156 -14.907 4.420 1.00 0.99 O ATOM 1791 ND2 ASN B 50 10.026 -13.776 3.911 1.00 0.97 N ATOM 0 H ASN B 50 7.136 -11.749 4.353 1.00 0.81 H new ATOM 0 HA ASN B 50 6.792 -13.783 6.411 1.00 0.84 H new ATOM 0 HB2 ASN B 50 9.198 -12.091 5.598 1.00 0.86 H new ATOM 0 HB3 ASN B 50 9.237 -13.451 6.702 1.00 0.86 H new ATOM 0 HD21 ASN B 50 10.226 -14.378 3.112 1.00 0.97 H new ATOM 0 HD22 ASN B 50 10.655 -13.007 4.140 1.00 0.97 H new ATOM 1798 N GLY B 51 6.565 -10.694 7.081 1.00 0.67 N ATOM 1799 CA GLY B 51 6.400 -9.708 8.135 1.00 0.65 C ATOM 1800 C GLY B 51 7.565 -8.740 8.197 1.00 0.60 C ATOM 1801 O GLY B 51 7.986 -8.332 9.278 1.00 0.67 O ATOM 0 H GLY B 51 6.223 -10.402 6.165 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.476 -9.153 7.970 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.300 -10.216 9.094 1.00 0.65 H new ATOM 1805 N LYS B 52 8.092 -8.381 7.031 1.00 0.57 N ATOM 1806 CA LYS B 52 9.216 -7.454 6.943 1.00 0.55 C ATOM 1807 C LYS B 52 8.827 -6.219 6.142 1.00 0.51 C ATOM 1808 O LYS B 52 7.906 -6.266 5.340 1.00 0.60 O ATOM 1809 CB LYS B 52 10.416 -8.141 6.288 1.00 0.59 C ATOM 1810 CG LYS B 52 10.938 -9.338 7.068 1.00 0.66 C ATOM 1811 CD LYS B 52 11.867 -10.198 6.222 1.00 0.79 C ATOM 1812 CE LYS B 52 13.109 -9.434 5.791 1.00 0.86 C ATOM 1813 NZ LYS B 52 13.960 -10.236 4.868 1.00 1.05 N ATOM 0 H LYS B 52 7.757 -8.720 6.129 1.00 0.57 H new ATOM 0 HA LYS B 52 9.488 -7.146 7.952 1.00 0.55 H new ATOM 0 HB2 LYS B 52 10.135 -8.466 5.286 1.00 0.59 H new ATOM 0 HB3 LYS B 52 11.221 -7.415 6.173 1.00 0.59 H new ATOM 0 HG2 LYS B 52 11.469 -8.991 7.954 1.00 0.66 H new ATOM 0 HG3 LYS B 52 10.099 -9.941 7.415 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.162 -11.081 6.789 1.00 0.79 H new ATOM 0 HD3 LYS B 52 11.333 -10.550 5.340 1.00 0.79 H new ATOM 0 HE2 LYS B 52 12.813 -8.507 5.299 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.689 -9.157 6.671 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 14.797 -9.681 4.597 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 14.263 -11.109 5.346 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 13.415 -10.479 4.016 1.00 1.05 H new ATOM 1827 N GLU B 53 9.531 -5.118 6.364 1.00 0.53 N ATOM 1828 CA GLU B 53 9.258 -3.862 5.648 1.00 0.50 C ATOM 1829 C GLU B 53 10.567 -3.263 5.123 1.00 0.50 C ATOM 1830 O GLU B 53 11.565 -3.165 5.844 1.00 0.52 O ATOM 1831 CB GLU B 53 8.542 -2.877 6.582 1.00 0.51 C ATOM 1832 CG GLU B 53 9.285 -2.702 7.914 1.00 0.66 C ATOM 1833 CD GLU B 53 8.565 -1.788 8.889 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.533 -2.248 9.418 1.00 0.67 O ATOM 1835 OE2 GLU B 53 9.115 -0.695 9.140 1.00 0.71 O ATOM 0 H GLU B 53 10.298 -5.061 7.034 1.00 0.53 H new ATOM 0 HA GLU B 53 8.609 -4.065 4.796 1.00 0.50 H new ATOM 0 HB2 GLU B 53 8.452 -1.910 6.088 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.530 -3.232 6.776 1.00 0.51 H new ATOM 0 HG2 GLU B 53 9.422 -3.679 8.377 1.00 0.66 H new ATOM 0 HG3 GLU B 53 10.279 -2.301 7.717 1.00 0.66 H new ATOM 1842 N ILE B 54 10.551 -2.937 3.851 1.00 0.47 N ATOM 1843 CA ILE B 54 11.721 -2.309 3.204 1.00 0.47 C ATOM 1844 C ILE B 54 11.289 -1.026 2.477 1.00 0.45 C ATOM 1845 O ILE B 54 10.102 -0.695 2.409 1.00 0.43 O ATOM 1846 CB ILE B 54 12.439 -3.310 2.278 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.519 -3.761 1.127 1.00 0.47 C ATOM 1848 CG2 ILE B 54 13.010 -4.482 3.097 1.00 0.52 C ATOM 1849 CD1 ILE B 54 12.200 -4.621 0.061 1.00 0.49 C ATOM 0 H ILE B 54 9.754 -3.088 3.232 1.00 0.47 H new ATOM 0 HA ILE B 54 12.447 -2.022 3.965 1.00 0.47 H new ATOM 0 HB ILE B 54 13.287 -2.815 1.805 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.684 -4.321 1.547 1.00 0.47 H new ATOM 0 HG13 ILE B 54 11.100 -2.876 0.647 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.514 -5.181 2.429 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.722 -4.101 3.829 1.00 0.52 H new ATOM 0 HG23 ILE B 54 12.198 -4.995 3.613 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.475 -4.890 -0.707 1.00 0.49 H new ATOM 0 HD12 ILE B 54 13.017 -4.060 -0.392 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.594 -5.527 0.521 1.00 0.49 H new ATOM 1861 N CYS B 55 12.272 -0.383 1.870 1.00 0.45 N ATOM 1862 CA CYS B 55 12.053 0.833 1.078 1.00 0.44 C ATOM 1863 C CYS B 55 12.668 0.655 -0.302 1.00 0.45 C ATOM 1864 O CYS B 55 13.800 0.203 -0.450 1.00 0.48 O ATOM 1865 CB CYS B 55 12.714 2.027 1.757 1.00 0.44 C ATOM 1866 SG CYS B 55 11.909 2.522 3.320 1.00 0.44 S ATOM 0 H CYS B 55 13.246 -0.682 1.907 1.00 0.45 H new ATOM 0 HA CYS B 55 10.981 1.009 0.993 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.759 1.788 1.957 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.707 2.874 1.071 1.00 0.44 H new ATOM 1871 N LEU B 56 11.923 1.111 -1.283 1.00 0.44 N ATOM 1872 CA LEU B 56 12.341 0.996 -2.676 1.00 0.47 C ATOM 1873 C LEU B 56 12.592 2.403 -3.231 1.00 0.48 C ATOM 1874 O LEU B 56 11.984 3.384 -2.793 1.00 0.46 O ATOM 1875 CB LEU B 56 11.196 0.233 -3.357 1.00 0.46 C ATOM 1876 CG LEU B 56 10.864 -1.175 -2.844 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.859 -1.822 -3.797 1.00 0.47 C ATOM 1878 CD2 LEU B 56 12.102 -2.063 -2.697 1.00 0.49 C ATOM 0 H LEU B 56 11.021 1.567 -1.149 1.00 0.44 H new ATOM 0 HA LEU B 56 13.276 0.459 -2.837 1.00 0.47 H new ATOM 0 HB2 LEU B 56 10.294 0.840 -3.274 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.431 0.155 -4.418 1.00 0.46 H new ATOM 0 HG LEU B 56 10.438 -1.075 -1.846 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.615 -2.824 -3.443 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.952 -1.219 -3.833 1.00 0.47 H new ATOM 0 HD13 LEU B 56 10.293 -1.885 -4.795 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.804 -3.045 -2.331 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.590 -2.170 -3.666 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.795 -1.607 -1.990 1.00 0.49 H new ATOM 1890 N ASP B 57 13.458 2.508 -4.228 1.00 0.50 N ATOM 1891 CA ASP B 57 13.724 3.799 -4.854 1.00 0.52 C ATOM 1892 C ASP B 57 12.957 3.917 -6.175 1.00 0.54 C ATOM 1893 O ASP B 57 13.277 3.218 -7.139 1.00 0.59 O ATOM 1894 CB ASP B 57 15.219 3.983 -5.108 1.00 0.57 C ATOM 1895 CG ASP B 57 15.668 5.411 -4.874 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.975 6.339 -5.344 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.714 5.604 -4.220 1.00 0.63 O ATOM 0 H ASP B 57 13.984 1.726 -4.619 1.00 0.50 H new ATOM 0 HA ASP B 57 13.388 4.580 -4.172 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.782 3.316 -4.455 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.450 3.695 -6.134 1.00 0.57 H new ATOM 1902 N PRO B 58 11.934 4.808 -6.238 1.00 0.55 N ATOM 1903 CA PRO B 58 11.123 5.017 -7.457 1.00 0.61 C ATOM 1904 C PRO B 58 11.970 5.505 -8.626 1.00 0.69 C ATOM 1905 O PRO B 58 11.553 5.466 -9.784 1.00 0.83 O ATOM 1906 CB PRO B 58 10.115 6.097 -7.047 1.00 0.64 C ATOM 1907 CG PRO B 58 10.126 6.120 -5.558 1.00 0.60 C ATOM 1908 CD PRO B 58 11.499 5.681 -5.136 1.00 0.57 C ATOM 0 HA PRO B 58 10.656 4.093 -7.797 1.00 0.61 H new ATOM 0 HB2 PRO B 58 10.395 7.068 -7.455 1.00 0.64 H new ATOM 0 HB3 PRO B 58 9.120 5.867 -7.427 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.906 7.120 -5.184 1.00 0.60 H new ATOM 0 HG3 PRO B 58 9.364 5.453 -5.154 1.00 0.60 H new ATOM 0 HD2 PRO B 58 12.170 6.530 -5.008 1.00 0.57 H new ATOM 0 HD3 PRO B 58 11.475 5.147 -4.186 1.00 0.57 H new ATOM 1916 N GLU B 59 13.165 5.965 -8.285 1.00 0.65 N ATOM 1917 CA GLU B 59 14.152 6.464 -9.254 1.00 0.77 C ATOM 1918 C GLU B 59 14.689 5.370 -10.205 1.00 0.82 C ATOM 1919 O GLU B 59 15.297 5.672 -11.232 1.00 0.91 O ATOM 1920 CB GLU B 59 15.299 7.123 -8.479 1.00 0.83 C ATOM 1921 CG GLU B 59 16.251 7.866 -9.416 1.00 1.10 C ATOM 1922 CD GLU B 59 17.374 8.573 -8.669 1.00 1.18 C ATOM 1923 OE1 GLU B 59 18.136 7.866 -7.970 1.00 1.40 O ATOM 1924 OE2 GLU B 59 17.435 9.809 -8.819 1.00 1.28 O ATOM 0 H GLU B 59 13.488 6.006 -7.318 1.00 0.65 H new ATOM 0 HA GLU B 59 13.654 7.188 -9.899 1.00 0.77 H new ATOM 0 HB2 GLU B 59 14.892 7.819 -7.745 1.00 0.83 H new ATOM 0 HB3 GLU B 59 15.850 6.363 -7.926 1.00 0.83 H new ATOM 0 HG2 GLU B 59 16.680 7.160 -10.126 1.00 1.10 H new ATOM 0 HG3 GLU B 59 15.688 8.598 -9.995 1.00 1.10 H new ATOM 1931 N ALA B 60 14.486 4.108 -9.848 1.00 0.80 N ATOM 1932 CA ALA B 60 14.964 2.984 -10.655 1.00 0.88 C ATOM 1933 C ALA B 60 13.819 2.391 -11.498 1.00 0.91 C ATOM 1934 O ALA B 60 12.748 2.094 -10.963 1.00 0.89 O ATOM 1935 CB ALA B 60 15.568 1.950 -9.707 1.00 0.88 C ATOM 0 H ALA B 60 13.991 3.833 -9.000 1.00 0.80 H new ATOM 0 HA ALA B 60 15.726 3.316 -11.361 1.00 0.88 H new ATOM 0 HB1 ALA B 60 15.933 1.099 -10.282 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.396 2.399 -9.158 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.807 1.613 -9.004 1.00 0.88 H new ATOM 1941 N PRO B 61 14.090 2.117 -12.780 1.00 0.99 N ATOM 1942 CA PRO B 61 13.097 1.572 -13.728 1.00 1.03 C ATOM 1943 C PRO B 61 12.625 0.157 -13.367 1.00 1.03 C ATOM 1944 O PRO B 61 11.424 -0.090 -13.286 1.00 1.01 O ATOM 1945 CB PRO B 61 13.798 1.606 -15.086 1.00 1.15 C ATOM 1946 CG PRO B 61 15.276 1.443 -14.729 1.00 1.19 C ATOM 1947 CD PRO B 61 15.411 2.246 -13.436 1.00 1.07 C ATOM 0 HA PRO B 61 12.181 2.163 -13.715 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.451 0.803 -15.737 1.00 1.15 H new ATOM 0 HB3 PRO B 61 13.613 2.544 -15.610 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.542 0.396 -14.583 1.00 1.19 H new ATOM 0 HG3 PRO B 61 15.925 1.831 -15.514 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.208 1.852 -12.805 1.00 1.07 H new ATOM 0 HD3 PRO B 61 15.653 3.289 -13.640 1.00 1.07 H new ATOM 1955 N PHE B 62 13.568 -0.694 -12.953 1.00 1.06 N ATOM 1956 CA PHE B 62 13.264 -2.072 -12.506 1.00 1.08 C ATOM 1957 C PHE B 62 12.331 -2.082 -11.291 1.00 0.98 C ATOM 1958 O PHE B 62 11.533 -2.996 -11.107 1.00 0.98 O ATOM 1959 CB PHE B 62 14.543 -2.850 -12.178 1.00 1.15 C ATOM 1960 CG PHE B 62 15.324 -2.264 -10.999 1.00 1.11 C ATOM 1961 CD1 PHE B 62 15.035 -2.670 -9.703 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.341 -1.348 -11.236 1.00 1.14 C ATOM 1963 CE1 PHE B 62 15.763 -2.163 -8.639 1.00 1.07 C ATOM 1964 CE2 PHE B 62 17.080 -0.853 -10.171 1.00 1.14 C ATOM 1965 CZ PHE B 62 16.784 -1.253 -8.876 1.00 1.10 C ATOM 0 H PHE B 62 14.559 -0.457 -12.915 1.00 1.06 H new ATOM 0 HA PHE B 62 12.757 -2.563 -13.336 1.00 1.08 H new ATOM 0 HB2 PHE B 62 14.283 -3.885 -11.954 1.00 1.15 H new ATOM 0 HB3 PHE B 62 15.186 -2.866 -13.058 1.00 1.15 H new ATOM 0 HD1 PHE B 62 14.242 -3.381 -9.524 1.00 1.07 H new ATOM 0 HD2 PHE B 62 16.555 -1.023 -12.243 1.00 1.14 H new ATOM 0 HE1 PHE B 62 15.537 -2.474 -7.630 1.00 1.07 H new ATOM 0 HE2 PHE B 62 17.886 -0.156 -10.350 1.00 1.14 H new ATOM 0 HZ PHE B 62 17.351 -0.854 -8.048 1.00 1.10 H new ATOM 1975 N LEU B 63 12.394 -1.016 -10.510 1.00 0.90 N ATOM 1976 CA LEU B 63 11.556 -0.885 -9.337 1.00 0.80 C ATOM 1977 C LEU B 63 10.109 -0.601 -9.734 1.00 0.83 C ATOM 1978 O LEU B 63 9.178 -1.011 -9.045 1.00 0.83 O ATOM 1979 CB LEU B 63 12.081 0.232 -8.454 1.00 0.71 C ATOM 1980 CG LEU B 63 11.748 0.078 -6.983 1.00 0.64 C ATOM 1981 CD1 LEU B 63 13.035 0.002 -6.181 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.860 1.225 -6.518 1.00 0.62 C ATOM 0 H LEU B 63 13.021 -0.228 -10.671 1.00 0.90 H new ATOM 0 HA LEU B 63 11.582 -1.825 -8.785 1.00 0.80 H new ATOM 0 HB2 LEU B 63 13.164 0.287 -8.565 1.00 0.71 H new ATOM 0 HB3 LEU B 63 11.675 1.180 -8.808 1.00 0.71 H new ATOM 0 HG LEU B 63 11.192 -0.846 -6.826 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.798 -0.109 -5.123 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.621 -0.855 -6.513 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.611 0.915 -6.330 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.629 1.101 -5.460 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.380 2.171 -6.667 1.00 0.62 H new ATOM 0 HD23 LEU B 63 9.934 1.225 -7.094 1.00 0.62 H new ATOM 1994 N LYS B 64 9.936 0.096 -10.857 1.00 0.87 N ATOM 1995 CA LYS B 64 8.610 0.435 -11.371 1.00 0.93 C ATOM 1996 C LYS B 64 7.940 -0.798 -11.985 1.00 0.97 C ATOM 1997 O LYS B 64 6.726 -0.848 -12.136 1.00 1.03 O ATOM 1998 CB LYS B 64 8.724 1.553 -12.409 1.00 1.02 C ATOM 1999 CG LYS B 64 7.395 2.213 -12.753 1.00 1.12 C ATOM 2000 CD LYS B 64 7.592 3.490 -13.559 1.00 1.30 C ATOM 2001 CE LYS B 64 8.221 3.215 -14.917 1.00 1.47 C ATOM 2002 NZ LYS B 64 8.417 4.467 -15.701 1.00 1.71 N ATOM 0 H LYS B 64 10.705 0.439 -11.432 1.00 0.87 H new ATOM 0 HA LYS B 64 7.991 0.783 -10.544 1.00 0.93 H new ATOM 0 HB2 LYS B 64 9.410 2.313 -12.036 1.00 1.02 H new ATOM 0 HB3 LYS B 64 9.163 1.146 -13.320 1.00 1.02 H new ATOM 0 HG2 LYS B 64 6.779 1.516 -13.321 1.00 1.12 H new ATOM 0 HG3 LYS B 64 6.854 2.442 -11.835 1.00 1.12 H new ATOM 0 HD2 LYS B 64 6.630 3.983 -13.698 1.00 1.30 H new ATOM 0 HD3 LYS B 64 8.225 4.178 -12.999 1.00 1.30 H new ATOM 0 HE2 LYS B 64 9.182 2.719 -14.779 1.00 1.47 H new ATOM 0 HE3 LYS B 64 7.586 2.530 -15.479 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 8.848 4.238 -16.619 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 7.497 4.928 -15.855 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 9.043 5.111 -15.176 1.00 1.71 H new ATOM 2016 N LYS B 65 8.763 -1.782 -12.328 1.00 0.98 N ATOM 2017 CA LYS B 65 8.312 -3.054 -12.920 1.00 1.04 C ATOM 2018 C LYS B 65 7.664 -3.993 -11.901 1.00 1.02 C ATOM 2019 O LYS B 65 6.480 -4.310 -12.013 1.00 1.07 O ATOM 2020 CB LYS B 65 9.498 -3.757 -13.572 1.00 1.07 C ATOM 2021 CG LYS B 65 10.045 -2.955 -14.752 1.00 1.14 C ATOM 2022 CD LYS B 65 11.157 -3.726 -15.468 1.00 1.20 C ATOM 2023 CE LYS B 65 10.653 -5.013 -16.135 1.00 1.27 C ATOM 2024 NZ LYS B 65 9.664 -4.728 -17.186 1.00 1.36 N ATOM 0 H LYS B 65 9.774 -1.727 -12.205 1.00 0.98 H new ATOM 0 HA LYS B 65 7.550 -2.810 -13.660 1.00 1.04 H new ATOM 0 HB2 LYS B 65 10.286 -3.903 -12.834 1.00 1.07 H new ATOM 0 HB3 LYS B 65 9.193 -4.746 -13.913 1.00 1.07 H new ATOM 0 HG2 LYS B 65 9.239 -2.736 -15.453 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.429 -1.998 -14.399 1.00 1.14 H new ATOM 0 HD2 LYS B 65 11.610 -3.084 -16.223 1.00 1.20 H new ATOM 0 HD3 LYS B 65 11.939 -3.976 -14.751 1.00 1.20 H new ATOM 0 HE2 LYS B 65 11.496 -5.554 -16.565 1.00 1.27 H new ATOM 0 HE3 LYS B 65 10.207 -5.663 -15.382 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 9.485 -5.591 -17.737 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 8.777 -4.406 -16.750 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 10.030 -3.985 -17.815 1.00 1.36 H new ATOM 2038 N VAL B 66 8.398 -4.296 -10.833 1.00 0.96 N ATOM 2039 CA VAL B 66 7.878 -5.148 -9.770 1.00 0.95 C ATOM 2040 C VAL B 66 6.655 -4.511 -9.092 1.00 0.95 C ATOM 2041 O VAL B 66 5.778 -5.223 -8.610 1.00 0.97 O ATOM 2042 CB VAL B 66 8.956 -5.475 -8.711 1.00 0.92 C ATOM 2043 CG1 VAL B 66 10.165 -6.113 -9.372 1.00 0.93 C ATOM 2044 CG2 VAL B 66 9.364 -4.236 -7.926 1.00 0.91 C ATOM 0 H VAL B 66 9.351 -3.965 -10.682 1.00 0.96 H new ATOM 0 HA VAL B 66 7.572 -6.082 -10.241 1.00 0.95 H new ATOM 0 HB VAL B 66 8.526 -6.184 -8.003 1.00 0.92 H new ATOM 0 HG11 VAL B 66 10.917 -6.338 -8.615 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.863 -7.035 -9.870 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.584 -5.425 -10.106 1.00 0.93 H new ATOM 0 HG21 VAL B 66 10.123 -4.504 -7.191 1.00 0.91 H new ATOM 0 HG22 VAL B 66 9.769 -3.489 -8.609 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.493 -3.826 -7.415 1.00 0.91 H new ATOM 2054 N ILE B 67 6.587 -3.167 -9.061 1.00 0.95 N ATOM 2055 CA ILE B 67 5.435 -2.487 -8.459 1.00 0.97 C ATOM 2056 C ILE B 67 4.307 -2.355 -9.478 1.00 1.02 C ATOM 2057 O ILE B 67 3.153 -2.140 -9.114 1.00 1.08 O ATOM 2058 CB ILE B 67 5.762 -1.094 -7.862 1.00 0.99 C ATOM 2059 CG1 ILE B 67 6.149 -0.093 -8.957 1.00 1.00 C ATOM 2060 CG2 ILE B 67 6.859 -1.205 -6.813 1.00 0.98 C ATOM 2061 CD1 ILE B 67 6.336 1.322 -8.448 1.00 1.07 C ATOM 0 H ILE B 67 7.302 -2.545 -9.438 1.00 0.95 H new ATOM 0 HA ILE B 67 5.125 -3.115 -7.624 1.00 0.97 H new ATOM 0 HB ILE B 67 4.861 -0.718 -7.378 1.00 0.99 H new ATOM 0 HG12 ILE B 67 7.073 -0.425 -9.431 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.378 -0.094 -9.727 1.00 1.00 H new ATOM 0 HG21 ILE B 67 7.074 -0.217 -6.406 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.529 -1.864 -6.010 1.00 0.98 H new ATOM 0 HG23 ILE B 67 7.760 -1.613 -7.271 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.609 1.974 -9.278 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.406 1.673 -8.000 1.00 1.07 H new ATOM 0 HD13 ILE B 67 7.128 1.338 -7.699 1.00 1.07 H new ATOM 2073 N GLN B 68 4.649 -2.450 -10.761 1.00 1.04 N ATOM 2074 CA GLN B 68 3.624 -2.413 -11.821 1.00 1.12 C ATOM 2075 C GLN B 68 2.878 -3.756 -11.893 1.00 1.11 C ATOM 2076 O GLN B 68 1.651 -3.786 -11.950 1.00 1.15 O ATOM 2077 CB GLN B 68 4.283 -2.112 -13.159 1.00 1.19 C ATOM 2078 CG GLN B 68 3.232 -1.878 -14.236 1.00 1.30 C ATOM 2079 CD GLN B 68 3.899 -1.548 -15.566 1.00 1.39 C ATOM 2080 OE1 GLN B 68 4.742 -2.257 -16.093 1.00 1.39 O ATOM 2081 NE2 GLN B 68 3.467 -0.446 -16.131 1.00 1.52 N ATOM 0 H GLN B 68 5.607 -2.552 -11.096 1.00 1.04 H new ATOM 0 HA GLN B 68 2.904 -1.628 -11.589 1.00 1.12 H new ATOM 0 HB2 GLN B 68 4.919 -1.231 -13.067 1.00 1.19 H new ATOM 0 HB3 GLN B 68 4.928 -2.942 -13.447 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.609 -2.766 -14.345 1.00 1.30 H new ATOM 0 HG3 GLN B 68 2.574 -1.061 -13.939 1.00 1.30 H new ATOM 0 HE21 GLN B 68 2.762 0.124 -15.664 1.00 1.52 H new ATOM 0 HE22 GLN B 68 3.836 -0.159 -17.037 1.00 1.52 H new ATOM 2090 N LYS B 69 3.627 -4.857 -11.795 1.00 1.10 N ATOM 2091 CA LYS B 69 3.053 -6.210 -11.857 1.00 1.13 C ATOM 2092 C LYS B 69 1.956 -6.447 -10.810 1.00 1.15 C ATOM 2093 O LYS B 69 1.002 -7.180 -11.070 1.00 1.23 O ATOM 2094 CB LYS B 69 4.152 -7.260 -11.677 1.00 1.11 C ATOM 2095 CG LYS B 69 5.158 -7.307 -12.815 1.00 1.16 C ATOM 2096 CD LYS B 69 6.186 -8.405 -12.594 1.00 1.24 C ATOM 2097 CE LYS B 69 7.173 -8.491 -13.748 1.00 1.40 C ATOM 2098 NZ LYS B 69 8.123 -9.626 -13.581 1.00 1.61 N ATOM 0 H LYS B 69 4.639 -4.841 -11.672 1.00 1.10 H new ATOM 0 HA LYS B 69 2.593 -6.303 -12.841 1.00 1.13 H new ATOM 0 HB2 LYS B 69 4.682 -7.060 -10.746 1.00 1.11 H new ATOM 0 HB3 LYS B 69 3.689 -8.241 -11.575 1.00 1.11 H new ATOM 0 HG2 LYS B 69 4.637 -7.477 -13.757 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.662 -6.344 -12.898 1.00 1.16 H new ATOM 0 HD2 LYS B 69 6.726 -8.217 -11.666 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.677 -9.362 -12.478 1.00 1.24 H new ATOM 0 HE2 LYS B 69 6.628 -8.608 -14.684 1.00 1.40 H new ATOM 0 HE3 LYS B 69 7.731 -7.557 -13.819 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 8.779 -9.651 -14.387 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 8.662 -9.501 -12.700 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 7.592 -10.519 -13.539 1.00 1.61 H new ATOM 2112 N ILE B 70 2.088 -5.839 -9.628 1.00 1.14 N ATOM 2113 CA ILE B 70 1.094 -6.023 -8.566 1.00 1.20 C ATOM 2114 C ILE B 70 -0.165 -5.191 -8.806 1.00 1.31 C ATOM 2115 O ILE B 70 -1.219 -5.479 -8.241 1.00 1.43 O ATOM 2116 CB ILE B 70 1.658 -5.696 -7.166 1.00 1.18 C ATOM 2117 CG1 ILE B 70 2.431 -4.375 -7.184 1.00 1.17 C ATOM 2118 CG2 ILE B 70 2.544 -6.833 -6.681 1.00 1.29 C ATOM 2119 CD1 ILE B 70 2.938 -3.940 -5.825 1.00 1.30 C ATOM 0 H ILE B 70 2.863 -5.222 -9.383 1.00 1.14 H new ATOM 0 HA ILE B 70 0.831 -7.080 -8.596 1.00 1.20 H new ATOM 0 HB ILE B 70 0.824 -5.585 -6.474 1.00 1.18 H new ATOM 0 HG12 ILE B 70 3.278 -4.471 -7.863 1.00 1.17 H new ATOM 0 HG13 ILE B 70 1.786 -3.594 -7.587 1.00 1.17 H new ATOM 0 HG21 ILE B 70 2.937 -6.592 -5.693 1.00 1.29 H new ATOM 0 HG22 ILE B 70 1.960 -7.751 -6.625 1.00 1.29 H new ATOM 0 HG23 ILE B 70 3.372 -6.971 -7.377 1.00 1.29 H new ATOM 0 HD11 ILE B 70 3.475 -2.996 -5.922 1.00 1.30 H new ATOM 0 HD12 ILE B 70 2.095 -3.810 -5.147 1.00 1.30 H new ATOM 0 HD13 ILE B 70 3.610 -4.700 -5.427 1.00 1.30 H new